A0A077ZGP3_TRITR Loading...

Syntaxin binding protein 5

AlphaFold DB , UniProt , Accession A0A077ZGP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 972 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
1M45.8Very low71.4Confident119 Ų119114.3 Ų114.359%0.58651%0.507SS*.  0120.30-84.1-172.7-106.700110.1Y3 A32 F37 L39M1-Y3 PolarHBondContact O-N 3.4Å; M1-A32 HydrophobicContact CE-CB 3.46Å; M1-A32 VanDerWaalsContact CE-CB 3.46Å; M1-A32 HydrophobicContact SD-CB 4.15Å; M1-F37 WeakPolarHBondContact CG-O 3.39Å; M1-L39 HydrophobicContact SD-CD2 3.99Å; M1-L39 HydrophobicContact SD-CG 4.04Å
2K42.3Very low73.3Confident186 Ų186108.4 Ų108.481%0.80948%0.482SS*.  trans-85.978.3170.2-93.5172.9159.6-175.60109.2F4K2-F4 HydrophobicContact CB-CD2 3.84Å; K2-F4 HydrophobicContact CB-CE2 3.64Å; K2-F4 HydrophobicContact CD-CE2 3.62Å; K2-F4 HydrophobicContact CD-CZ 4.31Å; K2-F4 HydrophobicContact CG-CD2 4.21Å; K2-F4 HydrophobicContact CG-CE2 3.48Å; K2-F4 VanDerWaalsContact CG-CE2 3.48Å; K2-F4 HydrophobicContact CG-CZ 4.16Å; K2-F4 PolarHBondContact O-N 3.48Å
3Y50.4Low74.6Confident71 Ų71106.7 Ų106.728%0.27848%0.48SS..  trans-87.881.9175-159.5-93.4000110.1M1 R5 C6 H30 L39M1-Y3 PolarHBondContact O-N 3.4Å; Y3-R5 VanDerWaalsContact C-N 3.3Å; Y3-R5 HydrophobicContact CE1-CB 4.33Å; Y3-R5 PolarHBondContact O-N 2.79Å; Y3-C6 HydrophobicContact CE1-CB 3.92Å; Y3-H30 PolarHBondContact OH-CE1 3.38Å; Y3-H30 PolarHBondContact OH-NE2 3.43Å; Y3-L39 HydrophobicContact CD2-CD1 3.61Å; Y3-L39 HydrophobicContact CE2-CD1 3.58Å
4F51.9Low75.5Confident175 Ų17599.9 Ų99.977%0.76845%0.451SS*.THydrogen-bonded Turntrans-78.50.4-175-81.4-76.8000115.4K2K2-F4 HydrophobicContact CB-CD2 3.84Å; K2-F4 HydrophobicContact CB-CE2 3.64Å; K2-F4 HydrophobicContact CD-CE2 3.62Å; K2-F4 HydrophobicContact CD-CZ 4.31Å; K2-F4 HydrophobicContact CG-CD2 4.21Å; K2-F4 HydrophobicContact CG-CE2 3.48Å; K2-F4 VanDerWaalsContact CG-CE2 3.48Å; K2-F4 HydrophobicContact CG-CZ 4.16Å; K2-F4 PolarHBondContact O-N 3.48Å
5R65.8Low75.9Confident216 Ų21699.1 Ų99.182%0.81545%0.447SS*.THydrogen-bonded Turntrans-98.8-18.2-168.5-75.2-172.1174.9176.1-0.6115.7Y3Y3-R5 VanDerWaalsContact C-N 3.3Å; Y3-R5 HydrophobicContact CE1-CB 4.33Å; Y3-R5 PolarHBondContact O-N 2.79Å
6C76.6Confident76.1Confident21 Ų21100.2 Ų100.214%0.14245%0.453CS..SBendtrans-161.7145-179.1-161.80000110.3Y3 T24 K26Y3-C6 HydrophobicContact CE1-CB 3.92Å; C6-T24 HydrophobicContact CB-CG2 4.45Å; C6-K26 VanDerWaalsContact SG-CG 3.6Å
7R86.8Confident76.5Confident176 Ų17694.8 Ų94.866%0.66443%0.429SS*.  trans-68.2134.5171.4-170.7177.5177.31780.1110I9 E25R7-I9 HydrophobicContact CG-CD1 4.19Å; R7-E25 HydrophobicContact CB-CB 4.28Å; R7-E25 WeakPolarHBondContact CB-OE2 3.31Å; R7-E25 PolarHBondContact O-N 3.03Å
8L89.2Confident77Confident72 Ų7293.6 Ų93.638%0.37742%0.423SS..EExtended strand (participates in β ladder)trans-80.1133.3168.7-66.7174.4000108.7L22 T24L8-L22 HydrophobicContact CD1-CD2 4.39Å; L8-L22 HydrophobicContact CD2-CB 3.92Å; L8-L22 HydrophobicContact CD2-CD1 4.49Å; L8-L22 HydrophobicContact CD2-CD2 4.45Å; L8-T24 HydrophobicContact CD2-CG2 4.21Å
9I90.7Very high77.7Confident71 Ų7189.7 Ų89.736%0.36441%0.405SS..EExtended strand (participates in β ladder)trans-110.8-45.1-176.4-60-60.9000110.9R7 G23 E25 I61R7-I9 HydrophobicContact CG-CD1 4.19Å; I9-G23 PolarHBondContact N-O 2.86Å; I9-E25 HydrophobicContact CD1-CB 4.05Å; I9-E25 HydrophobicContact CD1-CG 4.46Å; I9-E25 HydrophobicContact CG1-CB 3.9Å; I9-I61 WeakPolarHBondContact CG2-O 3.03Å
10T92.2Very high78.5Confident32 Ų3286.6 Ų86.620%0.19639%0.392CS..EExtended strand (participates in β ladder)trans-140.1156.4-179-172.40000110.1G23 I61 L64T10-G23 PolarHBondContact N-O 2.8Å; T10-G23 WeakPolarHBondContact O-CA 3.38Å; T10-G23 PolarHBondContact O-N 3.14Å; T10-I61 HydrophobicContact CG2-CB 4.2Å; T10-I61 HydrophobicContact CG2-CG2 3.73Å; T10-L64 HydrophobicContact CG2-CB 3.91Å; T10-L64 HydrophobicContact CG2-CD2 4.39Å
11M94.1Very high79.2Confident118 Ų11882.5 Ų82.558%0.58137%0.373SS*.EExtended strand (participates in β ladder)trans-143.8148.517564.2-175.472.300110.2L20 Y21 L22M11-L20 HydrophobicContact CB-CD1 4.15Å; M11-Y21 CarbonylContact C-O 3.54Å; M11-Y21 WeakPolarHBondContact CA-O 3.22Å; M11-L22 HydrophobicContact CB-CD2 4.02Å
12H93.4Very high81.6Confident44 Ų4477.3 Ų77.320%0.20435%0.348CS..EExtended strand (participates in β ladder)trans-134.6122178.1-178.665.5000109.8Y21 L64 E66H12-Y21 HydrophobicContact CB-CD2 4.47Å; H12-Y21 AromaticContact CD2-CD2 3.94Å; H12-Y21 PolarHBondContact N-O 3.2Å; H12-Y21 WeakPolarHBondContact O-CD2 3.2Å; H12-Y21 PolarHBondContact O-N 2.84Å; H12-L64 HydrophobicContact CB-CB 4.47Å; H12-L64 HydrophobicContact CB-CD2 4.46Å; H12-L64 HydrophobicContact CB-CG 4.22Å; H12-L64 VanDerWaalsContact CB-O 3.29Å; H12-L64 WeakPolarHBondContact CB-O 3.38Å; H12-E66 PolarHBondContact NE2-N 3.3Å
13L91.3Very high84.1Confident86 Ų8668.4 Ų68.445%0.4531%0.309SS..  trans-114.3102.2171.4-177.760.5000107.7S17 W19 L20 I34L13-S17 WeakPolarHBondContact CD1-O 3.48Å; L13-W19 WeakPolarHBondContact CD1-O 3.35Å; L13-L20 HydrophobicContact CB-CD1 3.81Å; L13-L20 HydrophobicContact CD1-CB 4.36Å; L13-L20 HydrophobicContact CD1-CD1 4.5Å; L13-I34 HydrophobicContact CD1-CD1 4.25Å; L13-I34 HydrophobicContact CD1-CG2 4.06Å; L13-I34 HydrophobicContact CD2-CD1 4.3Å
14P86.6Confident86Confident12 Ų1265.1 Ų65.18%0.07830%0.296CS..  trans-59.1143.9171.3-13.623.3000109.6Q16 S17 Y21 E66P14-Q16 PolarHBondContact O-N 3.36Å; P14-S17 WeakPolarHBondContact O-CB 3.11Å; P14-S17 PolarHBondContact O-N 3.02Å; P14-Y21 HydrophobicContact CG-CD2 4.28Å; P14-Y21 HydrophobicContact CG-CE2 3.71Å; P14-E66 HydrophobicContact CG-CG 4.01Å; P14-E66 WeakPolarHBondContact CG-OE1 3.33Å
15F81.5Confident87.9Confident88 Ų8861.3 Ų61.339%0.38628%0.281SS..THydrogen-bonded Turntrans-56137.2178.9-173.1-115.4000110.9S17 P251 Y252 T860 P861F15-S17 PolarHBondContact O-N 2.81Å; F15-P251 HydrophobicContact CD1-CB 4.21Å; F15-P251 HydrophobicContact CD1-CG 4.1Å; F15-P251 HydrophobicContact CD2-CB 3.87Å; F15-P251 HydrophobicContact CD2-CG 4.35Å; F15-P251 HydrophobicContact CE1-CB 4.18Å; F15-P251 HydrophobicContact CE1-CG 3.65Å; F15-P251 HydrophobicContact CE2-CB 3.85Å; F15-P251 HydrophobicContact CE2-CG 3.93Å; F15-P251 HydrophobicContact CG-CB 4.05Å; F15-P251 HydrophobicContact CG-CG 4.42Å; F15-P251 HydrophobicContact CZ-CB 3.99Å; F15-P251 HydrophobicContact CZ-CG 3.55Å; F15-Y252 HydrophobicContact CD1-CD1 4.37Å; F15-Y252 AromaticContact CD1-CE1 3.87Å; F15-Y252 HydrophobicContact CD1-CE1 3.87Å; F15-Y252 HydrophobicContact CE1-CE1 4.01Å; F15-Y252 HydrophobicContact CE1-CE2 4.29Å; F15-Y252 AromaticContact CE1-CZ 3.72Å; F15-T860 HydrophobicContact CE1-CG2 3.9Å; F15-T860 HydrophobicContact CE2-CG2 4.19Å; F15-T860 HydrophobicContact CZ-CG2 3.37Å; F15-P861 HydrophobicContact CE1-CG 4.45Å; F15-P861 HydrophobicContact CZ-CG 4.12Å
16Q78.8Confident89.1Confident116 Ų11656.7 Ų56.754%0.54227%0.267SS..THydrogen-bonded Turntrans60.73.5-173.4-60174.8-1.600116.2P14 Y252 T860P14-Q16 PolarHBondContact O-N 3.36Å; Q16-Y252 PolarHBondContact NE2-OH 3.16Å; Q16-Y252 VanDerWaalsContact NE2-OH 3.13Å; Q16-T860 HydrophobicContact CG-CG2 4.1Å
17S83.3Confident89.9Confident8 Ų855.7 Ų55.76%0.05626%0.26CS..  trans-73.3136.6175.1-171.70000111L13 P14 F15 W19 I34 R882L13-S17 WeakPolarHBondContact CD1-O 3.48Å; P14-S17 WeakPolarHBondContact O-CB 3.11Å; P14-S17 PolarHBondContact O-N 3.02Å; F15-S17 PolarHBondContact O-N 2.81Å; S17-W19 PolarHBondContact OG-N 3.23Å; S17-W19 PolarHBondContact OG-O 3.34Å; S17-I34 WeakPolarHBondContact O-CD1 3.42Å; S17-R882 PolarHBondContact OG-NH1 3.06Å
18K85.9Confident90.2Very high74 Ų7448.7 Ų48.732%0.32224%0.236SC..SBendtrans-78.6-7164.8-62.7179.9173.6-157.50113S33 I34 E35 E883K18-S33 WeakPolarHBondContact O-CA 3.33Å; K18-I34 PolarHBondContact O-N 3.4Å; K18-E35 WeakPolarHBondContact CD-OE1 3.42Å; K18-E35 WeakPolarHBondContact CD-OE2 3.32Å; K18-E35 WeakPolarHBondContact CE-OE1 3.36Å; K18-E35 WeakPolarHBondContact CE-OE2 3.37Å; K18-E35 HydrophobicContact CG-CG 4.43Å; K18-E35 IonicContact NZ-OE1 3.6Å; K18-E35 PolarHBondContact NZ-OE1 3.48Å; K18-E35 VanDerWaalsContact NZ-OE1 3.17Å; K18-E35 IonicContact NZ-OE2 2.79Å; K18-E35 PolarHBondContact NZ-OE2 2.89Å; K18-E883 IonicContact NZ-OE1 2.75Å; K18-E883 PolarHBondContact NZ-OE1 3.15Å
19W89.9Confident90.5Very high20 Ų2045.2 Ų45.28%0.07622%0.218CC..EExtended strand (participates in β ladder)trans-115.9123.3-170.9-60.9104.1000110.8L13 S17 V31 A32 R882 F886L13-W19 WeakPolarHBondContact CD1-O 3.35Å; S17-W19 PolarHBondContact OG-N 3.23Å; S17-W19 PolarHBondContact OG-O 3.34Å; W19-V31 HydrophobicContact CB-CG1 4.03Å; W19-V31 HydrophobicContact CD2-CG1 4.31Å; W19-V31 HydrophobicContact CE3-CG1 3.75Å; W19-V31 HydrophobicContact CG-CG1 4.47Å; W19-A32 WeakPolarHBondContact CA-O 3.22Å; W19-R882 PolarHBondContact NE1-O 3.19Å; W19-F886 HydrophobicContact CB-CD2 4.14Å; W19-F886 HydrophobicContact CB-CE2 4.35Å; W19-F886 AromaticContact CD1-CD2 3.73Å; W19-F886 HydrophobicContact CD2-CB 3.71Å; W19-F886 AromaticContact CD2-CD2 3.68Å; W19-F886 HydrophobicContact CD2-CD2 3.68Å; W19-F886 HydrophobicContact CD2-CG 4.07Å; W19-F886 AromaticContact CE2-CD2 3.89Å; W19-F886 HydrophobicContact CE3-CB 3.73Å; W19-F886 HydrophobicContact CE3-CD2 4.32Å; W19-F886 HydrophobicContact CE3-CG 4.29Å; W19-F886 AromaticContact CG-CD2 3.58Å; W19-F886 HydrophobicContact CG-CD2 3.58Å; W19-F886 HydrophobicContact CG-CE2 4.21Å; W19-F886 HydrophobicContact CG-CG 4.41Å; W19-F886 HydrophobicContact CH2-CB 3.52Å; W19-F886 WeakPolarHBondContact CH2-O 3.41Å; W19-F886 HydrophobicContact CZ2-CB 3.53Å; W19-F886 HydrophobicContact CZ3-CB 3.63Å; W19-F886 AromaticContact NE1-CD2 3.89Å
20L93.3Very high90.6Very high27 Ų2743 Ų4314%0.14121%0.206CC..EExtended strand (participates in β ladder)trans-101.6122.4177.5176.468.9000109.1M11 L13 L22 V31 A32 I34M11-L20 HydrophobicContact CB-CD1 4.15Å; L13-L20 HydrophobicContact CB-CD1 3.81Å; L13-L20 HydrophobicContact CD1-CB 4.36Å; L13-L20 HydrophobicContact CD1-CD1 4.5Å; L20-L22 HydrophobicContact CD2-CD2 3.67Å; L20-L22 HydrophobicContact CD2-CG 4.42Å; L20-L22 HydrophobicContact CG-CD2 3.8Å; L20-L22 HydrophobicContact CG-CG 4.31Å; L20-V31 CarbonylContact O-C 3.59Å; L20-V31 WeakPolarHBondContact O-CA 3.46Å; L20-A32 PolarHBondContact N-O 2.74Å; L20-A32 PolarHBondContact O-N 2.81Å; L20-I34 HydrophobicContact CB-CG2 3.82Å
21Y94.5Very high90.7Very high1 Ų141.5 Ų41.50%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-86.4137172.1-53.7-85.4000110M11 H12 P14 V29 H30 V31 E66 L81 L95 F886M11-Y21 CarbonylContact C-O 3.54Å; M11-Y21 WeakPolarHBondContact CA-O 3.22Å; H12-Y21 HydrophobicContact CB-CD2 4.47Å; H12-Y21 AromaticContact CD2-CD2 3.94Å; H12-Y21 PolarHBondContact N-O 3.2Å; H12-Y21 WeakPolarHBondContact O-CD2 3.2Å; H12-Y21 PolarHBondContact O-N 2.84Å; P14-Y21 HydrophobicContact CG-CD2 4.28Å; P14-Y21 HydrophobicContact CG-CE2 3.71Å; Y21-V29 HydrophobicContact CD1-CG1 4.45Å; Y21-H30 CarbonylContact C-O 3.42Å; Y21-V31 HydrophobicContact CD1-CG2 3.74Å; Y21-V31 HydrophobicContact CE1-CG2 4.03Å; Y21-E66 HydrophobicContact CE2-CG 4.18Å; Y21-E66 WeakPolarHBondContact CE2-OE1 3.32Å; Y21-E66 PolarHBondContact OH-OE1 3.28Å; Y21-L81 HydrophobicContact CD1-CD1 4.39Å; Y21-L81 HydrophobicContact CD1-CD2 4.04Å; Y21-L81 HydrophobicContact CD2-CD1 4.31Å; Y21-L81 HydrophobicContact CE1-CD2 4.3Å; Y21-L81 HydrophobicContact CE2-CD1 4.38Å; Y21-L81 HydrophobicContact CG-CD1 4.31Å; Y21-L95 HydrophobicContact CE1-CD1 4.35Å; Y21-L95 HydrophobicContact CE1-CD2 4.3Å; Y21-L95 WeakPolarHBondContact OH-CD1 3.42Å; Y21-F886 HydrophobicContact CE1-CE2 4.5Å; Y21-F886 AromaticContact CE1-CZ 3.98Å; Y21-F886 HydrophobicContact CE1-CZ 3.98Å
22L94.5Very high90.5Very high9 Ų935.9 Ų35.95%0.04717%0.169CC..EExtended strand (participates in β ladder)trans-126.4107-172-64.7178.4000109.7L8 M11 L20 V29 H30 A32 L39L8-L22 HydrophobicContact CD1-CD2 4.39Å; L8-L22 HydrophobicContact CD2-CB 3.92Å; L8-L22 HydrophobicContact CD2-CD1 4.49Å; L8-L22 HydrophobicContact CD2-CD2 4.45Å; M11-L22 HydrophobicContact CB-CD2 4.02Å; L20-L22 HydrophobicContact CD2-CD2 3.67Å; L20-L22 HydrophobicContact CD2-CG 4.42Å; L20-L22 HydrophobicContact CG-CD2 3.8Å; L20-L22 HydrophobicContact CG-CG 4.31Å; L22-V29 CarbonylContact O-C 3.35Å; L22-V29 WeakPolarHBondContact O-CA 3.07Å; L22-H30 HydrophobicContact CB-CB 4.17Å; L22-H30 PolarHBondContact N-O 3.03Å; L22-H30 PolarHBondContact O-N 3.05Å; L22-A32 HydrophobicContact CD1-CB 3.96Å; L22-L39 HydrophobicContact CD1-CD2 4.02Å
23G94.7Very high90.4Very high0 Ų034.2 Ų34.20%016%0.162CC..EExtended strand (participates in β ladder)trans-86.5133.6175.600000112.1I9 T10I9-G23 PolarHBondContact N-O 2.86Å; T10-G23 PolarHBondContact N-O 2.8Å; T10-G23 WeakPolarHBondContact O-CA 3.38Å; T10-G23 PolarHBondContact O-N 3.14Å
24T91.9Very high90.3Very high1 Ų133 Ų331%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-109159.1-175.261.90000112.7C6 L8 K26 G27 N28C6-T24 HydrophobicContact CB-CG2 4.45Å; L8-T24 HydrophobicContact CD2-CG2 4.21Å; T24-K26 PolarHBondContact O-N 3.05Å; T24-G27 PolarHBondContact O-N 2.82Å; T24-N28 PolarHBondContact N-O 3.19Å; T24-N28 PolarHBondContact OG1-N 3.42Å; T24-N28 PolarHBondContact OG1-O 3.32Å
25E91.4Very high90.3Very high95 Ų9538 Ų3844%0.44418%0.178SC..THydrogen-bonded Turntrans-58.5-29.7172.8-173.3179.2-165.600112.7R7 I9 G27 V60R7-E25 HydrophobicContact CB-CB 4.28Å; R7-E25 WeakPolarHBondContact CB-OE2 3.31Å; R7-E25 PolarHBondContact O-N 3.03Å; I9-E25 HydrophobicContact CD1-CB 4.05Å; I9-E25 HydrophobicContact CD1-CG 4.46Å; I9-E25 HydrophobicContact CG1-CB 3.9Å; E25-G27 PolarHBondContact O-N 2.86Å; E25-V60 HydrophobicContact CB-CG1 4.47Å; E25-V60 HydrophobicContact CG-CG1 3.91Å; E25-V60 WeakPolarHBondContact O-CG1 3.28Å
26K90.8Very high90.7Very high120 Ų12037.8 Ų37.852%0.52218%0.183SC..THydrogen-bonded Turntrans-80.99.6176.2-71.5177.5179.2174.80114C6 T24 N28 H57C6-K26 VanDerWaalsContact SG-CG 3.6Å; T24-K26 PolarHBondContact O-N 3.05Å; K26-N28 VanDerWaalsContact C-N 3.32Å; K26-N28 PolarHBondContact O-N 3.17Å; K26-H57 PolarHBondContact O-NE2 2.97Å
27G93Very high91.1Very high0 Ų039.2 Ų39.20%019%0.188CC..SBendtrans80.33177.500000115.3T24 E25 W46 I61 Y85T24-G27 PolarHBondContact O-N 2.82Å; E25-G27 PolarHBondContact O-N 2.86Å; G27-W46 WeakPolarHBondContact O-CB 3.1Å; G27-I61 WeakPolarHBondContact O-CD1 3.45Å; G27-Y85 WeakPolarHBondContact O-CE1 3.32Å
28N94.3Very high91.4Very high28 Ų2842 Ų4215%0.1521%0.205CC..  trans-95.1149.5-179.1-61.2-35.1000112.1T24 K26 V43 I44 N45 W46 I61T24-N28 PolarHBondContact N-O 3.19Å; T24-N28 PolarHBondContact OG1-N 3.42Å; T24-N28 PolarHBondContact OG1-O 3.32Å; K26-N28 VanDerWaalsContact C-N 3.32Å; K26-N28 PolarHBondContact O-N 3.17Å; N28-V43 HydrophobicContact CB-CG1 4.42Å; N28-I44 WeakPolarHBondContact CA-O 3.39Å; N28-N45 VanDerWaalsContact OD1-CA 3.28Å; N28-N45 WeakPolarHBondContact OD1-CA 3.47Å; N28-W46 PolarHBondContact OD1-N 2.95Å; N28-I61 WeakPolarHBondContact O-CD1 3.14Å
29V95Very high91.6Very high0 Ų041.7 Ų41.70%021%0.206CC..EExtended strand (participates in β ladder)trans-105.7123.5171.5-174.10000109.8Y21 L22 V43 I44 I61 L64 L81 I83Y21-V29 HydrophobicContact CD1-CG1 4.45Å; L22-V29 CarbonylContact O-C 3.35Å; L22-V29 WeakPolarHBondContact O-CA 3.07Å; V29-V43 WeakPolarHBondContact O-CA 3.38Å; V29-I44 HydrophobicContact CB-CB 4.04Å; V29-I44 HydrophobicContact CB-CD1 4.2Å; V29-I44 HydrophobicContact CB-CG1 4.38Å; V29-I44 HydrophobicContact CG1-CD1 4.44Å; V29-I44 HydrophobicContact CG2-CB 4.48Å; V29-I44 PolarHBondContact N-O 3.38Å; V29-I44 PolarHBondContact O-N 2.97Å; V29-I61 HydrophobicContact CG2-CD1 3.45Å; V29-I61 VanDerWaalsContact CG2-CD1 3.45Å; V29-L64 HydrophobicContact CG1-CD1 4.15Å; V29-L64 HydrophobicContact CG1-CD2 4.08Å; V29-L64 HydrophobicContact CG2-CD1 3.81Å; V29-L81 HydrophobicContact CG1-CD2 4.34Å; V29-I83 HydrophobicContact CG2-CD1 3.94Å; V29-I83 HydrophobicContact CG2-CG1 4.33Å; V29-I83 HydrophobicContact CG2-CG2 4.44Å
30H93.1Very high91.5Very high25 Ų2541.3 Ų41.312%0.11621%0.207CC..EExtended strand (participates in β ladder)trans-103.4158.7169-63.3-86.8000110.2Y3 Y21 L22 L39 V43Y3-H30 PolarHBondContact OH-CE1 3.38Å; Y3-H30 PolarHBondContact OH-NE2 3.43Å; Y21-H30 CarbonylContact C-O 3.42Å; L22-H30 HydrophobicContact CB-CB 4.17Å; L22-H30 PolarHBondContact N-O 3.03Å; L22-H30 PolarHBondContact O-N 3.05Å; H30-L39 HydrophobicContact CB-CD2 4.29Å; H30-V43 WeakPolarHBondContact ND1-CG2 3.46Å
31V92.5Very high91.2Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-121.9135.9176.3-175.50000109W19 L20 Y21 S40 Y42 F886W19-V31 HydrophobicContact CB-CG1 4.03Å; W19-V31 HydrophobicContact CD2-CG1 4.31Å; W19-V31 HydrophobicContact CE3-CG1 3.75Å; W19-V31 HydrophobicContact CG-CG1 4.47Å; L20-V31 CarbonylContact O-C 3.59Å; L20-V31 WeakPolarHBondContact O-CA 3.46Å; Y21-V31 HydrophobicContact CD1-CG2 3.74Å; Y21-V31 HydrophobicContact CE1-CG2 4.03Å; V31-S40 WeakPolarHBondContact O-CB 3.3Å; V31-S40 PolarHBondContact O-N 2.92Å; V31-Y42 HydrophobicContact CG2-CD1 3.88Å; V31-F886 HydrophobicContact CB-CD1 4.35Å; V31-F886 HydrophobicContact CG1-CB 4.5Å; V31-F886 HydrophobicContact CG1-CD1 4.04Å; V31-F886 HydrophobicContact CG1-CD2 4.2Å; V31-F886 HydrophobicContact CG1-CE1 4.3Å; V31-F886 HydrophobicContact CG1-CE2 4.42Å; V31-F886 HydrophobicContact CG1-CG 4Å; V31-F886 HydrophobicContact CG1-CZ 4.47Å; V31-F886 HydrophobicContact CG2-CD1 4.29Å; V31-F886 HydrophobicContact CG2-CE1 4.03Å
32A91.9Very high91Very high0 Ų044.8 Ų44.80%025%0.245CC..EExtended strand (participates in β ladder)trans-129.3146.9179.100000111.7M1 W19 L20 L22 T38 L39M1-A32 HydrophobicContact CE-CB 3.46Å; M1-A32 VanDerWaalsContact CE-CB 3.46Å; M1-A32 HydrophobicContact SD-CB 4.15Å; W19-A32 WeakPolarHBondContact CA-O 3.22Å; L20-A32 PolarHBondContact N-O 2.74Å; L20-A32 PolarHBondContact O-N 2.81Å; L22-A32 HydrophobicContact CD1-CB 3.96Å; A32-T38 CarbonylContact C-O 3.59Å; A32-T38 VanDerWaalsContact CA-O 3.3Å; A32-T38 WeakPolarHBondContact CA-O 3.21Å; A32-L39 HydrophobicContact CB-CD2 4.05Å
33S90.1Very high90.8Very high8 Ų846.8 Ų46.86%0.05626%0.257CS..EExtended strand (participates in β ladder)trans-83.9127.2171.7165.80000109.8K18 E35 T36 F37 T38K18-S33 WeakPolarHBondContact O-CA 3.33Å; S33-E35 VanDerWaalsContact C-N 3.34Å; S33-E35 PolarHBondContact OG-N 3.22Å; S33-T36 WeakPolarHBondContact CB-OG1 3.02Å; S33-T36 PolarHBondContact OG-N 2.74Å; S33-T36 PolarHBondContact OG-OG1 2.81Å; S33-F37 WeakPolarHBondContact O-CA 3.23Å; S33-F37 PolarHBondContact O-N 3.09Å; S33-T38 PolarHBondContact N-O 2.92Å
34I88.5Confident90.8Very high62 Ų6246.8 Ų46.832%0.31826%0.257SS..THydrogen-bonded Turntrans-77.8-20176.366.5172.2000112.9L13 S17 K18 L20 F37L13-I34 HydrophobicContact CD1-CD1 4.25Å; L13-I34 HydrophobicContact CD1-CG2 4.06Å; L13-I34 HydrophobicContact CD2-CD1 4.3Å; S17-I34 WeakPolarHBondContact O-CD1 3.42Å; K18-I34 PolarHBondContact O-N 3.4Å; L20-I34 HydrophobicContact CB-CG2 3.82Å; I34-F37 WeakPolarHBondContact O-CE2 3Å
35E88.2Confident90.9Very high117 Ų11750.1 Ų50.155%0.54727%0.274SS..THydrogen-bonded Turntrans-77.8-41.8177.2-66.4-177.3154.700111.4K18 S33K18-E35 WeakPolarHBondContact CD-OE1 3.42Å; K18-E35 WeakPolarHBondContact CD-OE2 3.32Å; K18-E35 WeakPolarHBondContact CE-OE1 3.36Å; K18-E35 WeakPolarHBondContact CE-OE2 3.37Å; K18-E35 HydrophobicContact CG-CG 4.43Å; K18-E35 IonicContact NZ-OE1 3.6Å; K18-E35 PolarHBondContact NZ-OE1 3.48Å; K18-E35 VanDerWaalsContact NZ-OE1 3.17Å; K18-E35 IonicContact NZ-OE2 2.79Å; K18-E35 PolarHBondContact NZ-OE2 2.89Å; S33-E35 VanDerWaalsContact C-N 3.34Å; S33-E35 PolarHBondContact OG-N 3.22Å
36T88.7Confident90.9Very high82 Ų8248.8 Ų48.850%0.50327%0.265SS..THydrogen-bonded Turntrans-103.4-11.9-174.963.40000113.6S33 T38S33-T36 WeakPolarHBondContact CB-OG1 3.02Å; S33-T36 PolarHBondContact OG-N 2.74Å; S33-T36 PolarHBondContact OG-OG1 2.81Å; T36-T38 PolarHBondContact O-N 3.28Å; T36-T38 PolarHBondContact OG1-N 2.94Å; T36-T38 PolarHBondContact OG1-OG1 3.44Å
37F88.3Confident90.9Very high146 Ų14646.9 Ų46.964%0.6426%0.261SS*.  trans5431.3-171.6-63.6-85.5000113.9M1 S33 I34M1-F37 WeakPolarHBondContact CG-O 3.39Å; S33-F37 WeakPolarHBondContact O-CA 3.23Å; S33-F37 PolarHBondContact O-N 3.09Å; I34-F37 WeakPolarHBondContact O-CE2 3Å
38T89.2Confident90.8Very high68 Ų6852.4 Ų52.442%0.41729%0.285SS..  trans-105.5148.5177.263.30000111.9A32 S33 T36A32-T38 CarbonylContact C-O 3.59Å; A32-T38 VanDerWaalsContact CA-O 3.3Å; A32-T38 WeakPolarHBondContact CA-O 3.21Å; S33-T38 PolarHBondContact N-O 2.92Å; T36-T38 PolarHBondContact O-N 3.28Å; T36-T38 PolarHBondContact OG1-N 2.94Å; T36-T38 PolarHBondContact OG1-OG1 3.44Å
39L88.9Confident90.6Very high66 Ų6651.1 Ų51.135%0.34628%0.278SS..EExtended strand (participates in β ladder)trans-80.4134.3173.1-71.8168.6000110.3M1 Y3 L22 H30 A32M1-L39 HydrophobicContact SD-CD2 3.99Å; M1-L39 HydrophobicContact SD-CG 4.04Å; Y3-L39 HydrophobicContact CD2-CD1 3.61Å; Y3-L39 HydrophobicContact CE2-CD1 3.58Å; L22-L39 HydrophobicContact CD1-CD2 4.02Å; H30-L39 HydrophobicContact CB-CD2 4.29Å; A32-L39 HydrophobicContact CB-CD2 4.05Å
40S88.5Confident90.3Very high13 Ų1351.2 Ų51.29%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-65.9151.7164.7-176.60000110.3V31 Y42 F886V31-S40 WeakPolarHBondContact O-CB 3.3Å; V31-S40 PolarHBondContact O-N 2.92Å; S40-Y42 PolarHBondContact O-N 3.2Å; S40-Y42 PolarHBondContact OG-N 2.8Å; S40-F886 WeakPolarHBondContact CB-O 3.45Å; S40-F886 PolarHBondContact OG-O 3.28Å
41G87Confident89.7Confident84 Ų8453.7 Ų53.787%0.86629%0.293SS*.EExtended strand (participates in β ladder)trans-69.5-8.3168.300000113.5
42Y89.9Confident88.9Confident17 Ų1761 Ų617%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-78.7124.1177.7-171.7-105000112V31 S40 I44 W93 L95 R98 F886V31-Y42 HydrophobicContact CG2-CD1 3.88Å; S40-Y42 PolarHBondContact O-N 3.2Å; S40-Y42 PolarHBondContact OG-N 2.8Å; Y42-I44 HydrophobicContact CD1-CG1 4.46Å; Y42-I44 HydrophobicContact CE1-CD1 4.03Å; Y42-I44 HydrophobicContact CE1-CG1 3.63Å; Y42-W93 PolarHBondContact OH-NE1 3.32Å; Y42-L95 HydrophobicContact CE1-CD2 3.95Å; Y42-R98 HydrophobicContact CE2-CB 4.48Å; Y42-R98 HydrophobicContact CE2-CG 3.81Å; Y42-F886 AromaticContact CD1-CD1 3.88Å; Y42-F886 HydrophobicContact CD1-CD1 3.88Å; Y42-F886 AromaticContact CD1-CE1 3.47Å; Y42-F886 HydrophobicContact CD1-CE1 3.47Å; Y42-F886 VanDerWaalsContact CD1-CE1 3.47Å; Y42-F886 AromaticContact CE1-CE1 3.83Å; Y42-F886 HydrophobicContact CE1-CE1 3.83Å; Y42-F886 AromaticContact CG-CD1 3.98Å; Y42-F886 HydrophobicContact CG-CD1 3.98Å; Y42-F886 AromaticContact CG-CE1 3.99Å; Y42-F886 HydrophobicContact CG-CE1 3.99Å
43V91.5Very high88.1Confident50 Ų5065 Ų6530%0.30336%0.359SS..EExtended strand (participates in β ladder)trans-136130.3178-175.30000109N28 V29 H30N28-V43 HydrophobicContact CB-CG1 4.42Å; V29-V43 WeakPolarHBondContact O-CA 3.38Å; H30-V43 WeakPolarHBondContact ND1-CG2 3.46Å
44I93.7Very high87.3Confident1 Ų168 Ų681%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-94.2108.1170.2-50.7169.9000106.8N28 V29 Y42 A49 L81 I83 W93 L95N28-I44 WeakPolarHBondContact CA-O 3.39Å; V29-I44 HydrophobicContact CB-CB 4.04Å; V29-I44 HydrophobicContact CB-CD1 4.2Å; V29-I44 HydrophobicContact CB-CG1 4.38Å; V29-I44 HydrophobicContact CG1-CD1 4.44Å; V29-I44 HydrophobicContact CG2-CB 4.48Å; V29-I44 PolarHBondContact N-O 3.38Å; V29-I44 PolarHBondContact O-N 2.97Å; Y42-I44 HydrophobicContact CD1-CG1 4.46Å; Y42-I44 HydrophobicContact CE1-CD1 4.03Å; Y42-I44 HydrophobicContact CE1-CG1 3.63Å; I44-A49 HydrophobicContact CG2-CB 4.35Å; I44-L81 HydrophobicContact CD1-CD2 3.68Å; I44-I83 HydrophobicContact CD1-CD1 4.15Å; I44-I83 HydrophobicContact CG2-CD1 3.97Å; I44-W93 HydrophobicContact CD1-CD2 4.34Å; I44-W93 HydrophobicContact CD1-CG 3.96Å; I44-W93 HydrophobicContact CG1-CZ2 4.41Å; I44-W93 HydrophobicContact CG2-CD2 3.81Å; I44-W93 HydrophobicContact CG2-CE3 3.94Å; I44-W93 HydrophobicContact CG2-CG 4.37Å; I44-W93 HydrophobicContact CG2-CH2 4.2Å; I44-W93 HydrophobicContact CG2-CZ2 4.06Å; I44-W93 HydrophobicContact CG2-CZ3 4.14Å; I44-L95 HydrophobicContact CD1-CD2 4.27Å
45N93.3Very high86.6Confident70 Ų7074.8 Ų74.837%0.37440%0.399SS..  trans-82.7135.2177.3-61.6-51.5000110.1N28 N47 K48 A49N28-N45 VanDerWaalsContact OD1-CA 3.28Å; N28-N45 WeakPolarHBondContact OD1-CA 3.47Å; N45-N47 WeakPolarHBondContact CB-OD1 3.23Å; N45-N47 PolarHBondContact O-N 3.29Å; N45-K48 PolarHBondContact O-N 2.86Å; N45-A49 PolarHBondContact O-N 2.77Å
46W92.7Very high86.5Confident67 Ų6774.7 Ų74.725%0.25441%0.407SS..Hα-helixtrans-53.5-41.4-178.162.9-96000112.3G27 N28 K48 A49 I50 H57 P58 Y85G27-W46 WeakPolarHBondContact O-CB 3.1Å; N28-W46 PolarHBondContact OD1-N 2.95Å; W46-K48 PolarHBondContact O-N 2.86Å; W46-A49 PolarHBondContact O-N 2.65Å; W46-I50 HydrophobicContact CE3-CD1 3.6Å; W46-I50 HydrophobicContact CE3-CG1 4.13Å; W46-I50 HydrophobicContact CZ3-CD1 3.73Å; W46-I50 HydrophobicContact CZ3-CG1 4.48Å; W46-I50 WeakPolarHBondContact O-CG1 3.42Å; W46-I50 PolarHBondContact O-N 3.47Å; W46-H57 AromaticContact CD1-NE2 3.95Å; W46-H57 AromaticContact CE2-CD2 3.56Å; W46-H57 AromaticContact CE2-NE2 3.87Å; W46-H57 AromaticContact CZ2-CD2 3.63Å; W46-H57 AromaticContact NE1-CD2 3.8Å; W46-H57 AromaticContact NE1-NE2 3.66Å; W46-P58 HydrophobicContact CB-CG 4.06Å; W46-P58 HydrophobicContact CD2-CG 4.29Å; W46-P58 HydrophobicContact CE3-CG 3.91Å; W46-P58 HydrophobicContact CG-CG 4.39Å; W46-Y85 HydrophobicContact CB-CE1 4.01Å
47N90.8Very high86.6Confident81 Ų8174.5 Ų74.543%0.43340%0.4SS..Hα-helixtrans-68.7-17.1-177.766-18.4000113.9N45N45-N47 WeakPolarHBondContact CB-OD1 3.23Å; N45-N47 PolarHBondContact O-N 3.29Å
48K90.6Very high86.8Confident116 Ų11667.7 Ų67.750%0.50437%0.37SS..Hα-helixtrans-90.8-26.2171.6-168.5179.7174.5-161.40111.7N45 W46 W93 R98N45-K48 PolarHBondContact O-N 2.86Å; W46-K48 PolarHBondContact O-N 2.86Å; K48-W93 HydrophobicContact CD-CH2 3.9Å; K48-W93 HydrophobicContact CG-CH2 4.02Å; K48-W93 HydrophobicContact CG-CZ3 4.35Å; K48-R98 WeakPolarHBondContact CE-O 3.13Å; K48-R98 PolarHBondContact NZ-O 3.27Å
49A89.7Confident86.9Confident0 Ų065.2 Ų65.20%036%0.358CS..Hα-helixtrans-80.1-46.418000000111.9I44 N45 W46 Y85 V91 W93 T100 R103I44-A49 HydrophobicContact CG2-CB 4.35Å; N45-A49 PolarHBondContact O-N 2.77Å; W46-A49 PolarHBondContact O-N 2.65Å; A49-Y85 WeakPolarHBondContact CB-OH 3.35Å; A49-V91 HydrophobicContact CB-CG1 4.11Å; A49-V91 HydrophobicContact CB-CG2 4.35Å; A49-W93 HydrophobicContact CB-CE3 4.2Å; A49-W93 HydrophobicContact CB-CZ3 4.29Å; A49-T100 WeakPolarHBondContact CA-OG1 3.3Å; A49-T100 PolarHBondContact O-OG1 3.32Å; A49-R103 PolarHBondContact O-NE 2.76Å; A49-R103 PolarHBondContact O-NH2 2.83Å
50I89.3Confident87.2Confident3 Ų363.6 Ų63.62%0.01535%0.351CS..SBendtrans-79170.1178.473172.5000111.8W46 Q54 P58 Y85 T89 V91W46-I50 HydrophobicContact CE3-CD1 3.6Å; W46-I50 HydrophobicContact CE3-CG1 4.13Å; W46-I50 HydrophobicContact CZ3-CD1 3.73Å; W46-I50 HydrophobicContact CZ3-CG1 4.48Å; W46-I50 WeakPolarHBondContact O-CG1 3.42Å; W46-I50 PolarHBondContact O-N 3.47Å; I50-Q54 HydrophobicContact CD1-CB 4.12Å; I50-P58 HydrophobicContact CD1-CB 4.31Å; I50-P58 HydrophobicContact CD1-CG 4.04Å; I50-P58 HydrophobicContact CG2-CB 4.16Å; I50-P58 HydrophobicContact CG2-CG 4.16Å; I50-Y85 HydrophobicContact CG2-CD2 4.29Å; I50-Y85 HydrophobicContact CG2-CE2 3.93Å; I50-T89 HydrophobicContact CG2-CG2 4.39Å; I50-V91 HydrophobicContact CG2-CG2 4.42Å
51D81Confident87.5Confident76 Ų7663 Ų6341%0.40635%0.347SS..  trans-70134.6174.4-173.11.4000110.3S53 Q54D51-S53 PolarHBondContact O-N 3.41Å; D51-S53 VanDerWaalsContact O-N 3.13Å; D51-S53 PolarHBondContact OD1-N 3.03Å; D51-S53 VanDerWaalsContact OD1-N 3.17Å; D51-S53 WeakPolarHBondContact OD2-CB 3.33Å; D51-S53 PolarHBondContact OD2-OG 2.69Å; D51-Q54 WeakPolarHBondContact O-CB 3.12Å; D51-Q54 PolarHBondContact O-N 3.23Å
52L74.3Confident87.9Confident154 Ų15460.8 Ų60.881%0.80632%0.316SS*.THydrogen-bonded Turntrans-61.7-19.2176.5-70167.5000112.3Q54L52-Q54 VanDerWaalsContact C-N 3.26Å; L52-Q54 PolarHBondContact O-N 2.93Å
53S75.1Confident88.2Confident84 Ų8461.5 Ų61.559%0.58732%0.32SS*.THydrogen-bonded Turntrans-66.7-25.8173.374.90000113.1D51 K55D51-S53 PolarHBondContact O-N 3.41Å; D51-S53 VanDerWaalsContact O-N 3.13Å; D51-S53 PolarHBondContact OD1-N 3.03Å; D51-S53 VanDerWaalsContact OD1-N 3.17Å; D51-S53 WeakPolarHBondContact OD2-CB 3.33Å; D51-S53 PolarHBondContact OD2-OG 2.69Å; S53-K55 PolarHBondContact O-N 3.11Å
54Q73.5Confident88.4Confident70 Ų7059.4 Ų59.433%0.32731%0.307SS..  trans-75.3104.8176.7-77.7-173.7-3400110.6I50 D51 L52 V56I50-Q54 HydrophobicContact CD1-CB 4.12Å; D51-Q54 WeakPolarHBondContact O-CB 3.12Å; D51-Q54 PolarHBondContact O-N 3.23Å; L52-Q54 VanDerWaalsContact C-N 3.26Å; L52-Q54 PolarHBondContact O-N 2.93Å; Q54-V56 PolarHBondContact O-N 3.46Å
55K75.2Confident88.4Confident206 Ų20659.9 Ų59.990%0.89631%0.31SS*.  trans-74.9-10.5176.3-64.8-175.1-179.9179.30114.1S53S53-K55 PolarHBondContact O-N 3.11Å
56V84.8Confident88.2Confident115 Ų11557.7 Ų57.770%0.69730%0.298SS*.SBendtrans-105.6136-173.9-175.40000109.5Q54Q54-V56 PolarHBondContact O-N 3.46Å
57H91.1Very high88Confident78 Ų7854.9 Ų54.936%0.36129%0.289SS..  trans-58.3133.7175.6-173.7-86.5000110.6K26 W46 G59K26-H57 PolarHBondContact O-NE2 2.97Å; W46-H57 AromaticContact CD1-NE2 3.95Å; W46-H57 AromaticContact CE2-CD2 3.56Å; W46-H57 AromaticContact CE2-NE2 3.87Å; W46-H57 AromaticContact CZ2-CD2 3.63Å; W46-H57 AromaticContact NE1-CD2 3.8Å; W46-H57 AromaticContact NE1-NE2 3.66Å; H57-G59 PolarHBondContact CE1-O 3.42Å; H57-G59 WeakPolarHBondContact ND1-CA 3.38Å; H57-G59 PolarHBondContact ND1-N 2.93Å; H57-G59 PolarHBondContact O-N 3.36Å
58P92.1Very high87.6Confident3 Ų351.5 Ų51.52%0.01927%0.271CS..  trans-74-10.9-173.231.1-36.5000113.7W46 I50 Y85 C87W46-P58 HydrophobicContact CB-CG 4.06Å; W46-P58 HydrophobicContact CD2-CG 4.29Å; W46-P58 HydrophobicContact CE3-CG 3.91Å; W46-P58 HydrophobicContact CG-CG 4.39Å; I50-P58 HydrophobicContact CD1-CB 4.31Å; I50-P58 HydrophobicContact CD1-CG 4.04Å; I50-P58 HydrophobicContact CG2-CB 4.16Å; I50-P58 HydrophobicContact CG2-CG 4.16Å; P58-Y85 HydrophobicContact CB-CD1 3.82Å; P58-Y85 HydrophobicContact CB-CD2 4.37Å; P58-Y85 HydrophobicContact CB-CE1 4.45Å; P58-Y85 HydrophobicContact CB-CG 3.77Å; P58-Y85 HydrophobicContact CG-CD1 3.71Å; P58-Y85 HydrophobicContact CG-CE1 3.93Å; P58-Y85 HydrophobicContact CG-CG 4.16Å; P58-C87 WeakPolarHBondContact O-CB 3.25Å; P58-C87 PolarHBondContact O-N 2.84Å; P58-C87 PolarHBondContact O-SG 2.7Å
59G92.2Very high86.7Confident15 Ų1546.6 Ų46.616%0.15525%0.252CS..  trans94.9-163.5179.900000112.2H57H57-G59 PolarHBondContact CE1-O 3.42Å; H57-G59 WeakPolarHBondContact ND1-CA 3.38Å; H57-G59 PolarHBondContact ND1-N 2.93Å; H57-G59 PolarHBondContact O-N 3.36Å
60V94.3Very high85Confident33 Ų3351.1 Ų51.120%0.228%0.276CS..SBendtrans-70.4156.5-179.8-54.90000111.2E25 V62 Y85 E86E25-V60 HydrophobicContact CB-CG1 4.47Å; E25-V60 HydrophobicContact CG-CG1 3.91Å; E25-V60 WeakPolarHBondContact O-CG1 3.28Å; V60-V62 HydrophobicContact CG2-CG2 4.17Å; V60-V62 PolarHBondContact O-N 2.63Å; V60-Y85 WeakPolarHBondContact O-CA 3.35Å; V60-E86 HydrophobicContact CG2-CB 4.01Å; V60-E86 HydrophobicContact CG2-CG 4.44Å; V60-E86 PolarHBondContact O-N 3.36Å
61I95.5Very high83.2Confident0 Ų055.8 Ų55.80%030%0.301CS..EExtended strand (participates in β ladder)trans-76.5115.6169-54.8-171.8000108.6I9 T10 G27 N28 V29 H63 L64 I83 Y85I9-I61 WeakPolarHBondContact CG2-O 3.03Å; T10-I61 HydrophobicContact CG2-CB 4.2Å; T10-I61 HydrophobicContact CG2-CG2 3.73Å; G27-I61 WeakPolarHBondContact O-CD1 3.45Å; N28-I61 WeakPolarHBondContact O-CD1 3.14Å; V29-I61 HydrophobicContact CG2-CD1 3.45Å; V29-I61 VanDerWaalsContact CG2-CD1 3.45Å; I61-H63 WeakPolarHBondContact CG2-O 3.1Å; I61-L64 HydrophobicContact CG2-CB 4.4Å; I61-I83 HydrophobicContact CD1-CG2 4.13Å; I61-I83 HydrophobicContact CG1-CG2 4.43Å; I61-I83 HydrophobicContact CG2-CG2 4.1Å; I61-Y85 HydrophobicContact CG1-CD1 4.39Å; I61-Y85 HydrophobicContact CG1-CE1 4.16Å
62V94.8Very high81.5Confident38 Ų3855.9 Ų55.923%0.2330%0.302CS..EExtended strand (participates in β ladder)trans-90.9-34.6178.6174.70000111.3V60 G84 E86 L110 R111V60-V62 HydrophobicContact CG2-CG2 4.17Å; V60-V62 PolarHBondContact O-N 2.63Å; V62-G84 PolarHBondContact N-O 3.3Å; V62-E86 HydrophobicContact CG2-CB 3.94Å; V62-E86 HydrophobicContact CG2-CG 4.4Å; V62-L110 HydrophobicContact CB-CD2 4.3Å; V62-L110 HydrophobicContact CB-CG 4.47Å; V62-L110 HydrophobicContact CG1-CD2 4.39Å; V62-L110 HydrophobicContact CG1-CG 4.15Å; V62-R111 VanDerWaalsContact CG1-C 3.46Å; V62-R111 WeakPolarHBondContact CG1-O 3.39Å
63H96.3Very high80.1Confident32 Ų3255.3 Ų55.315%0.14829%0.293CS..EExtended strand (participates in β ladder)trans-137.5142.8180-17283.1000112.4I61 S65 G84 V113I61-H63 WeakPolarHBondContact CG2-O 3.1Å; H63-S65 PolarHBondContact NE2-OG 3.44Å; H63-G84 PolarHBondContact N-O 2.84Å; H63-G84 VanDerWaalsContact N-O 3.17Å; H63-G84 PolarHBondContact O-N 2.82Å; H63-V113 HydrophobicContact CB-CB 3.96Å; H63-V113 HydrophobicContact CB-CG2 3.72Å; H63-V113 PolarHBondContact CE1-O 2.86Å; H63-V113 PolarHBondContact ND1-O 2.9Å
64L95.2Very high78.3Confident6 Ų663.8 Ų63.83%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-148.7115.9179.8-171.263.5000108.7T10 H12 V29 I61 L81 L82 I83T10-L64 HydrophobicContact CG2-CB 3.91Å; T10-L64 HydrophobicContact CG2-CD2 4.39Å; H12-L64 HydrophobicContact CB-CB 4.47Å; H12-L64 HydrophobicContact CB-CD2 4.46Å; H12-L64 HydrophobicContact CB-CG 4.22Å; H12-L64 VanDerWaalsContact CB-O 3.29Å; H12-L64 WeakPolarHBondContact CB-O 3.38Å; V29-L64 HydrophobicContact CG1-CD1 4.15Å; V29-L64 HydrophobicContact CG1-CD2 4.08Å; V29-L64 HydrophobicContact CG2-CD1 3.81Å; I61-L64 HydrophobicContact CG2-CB 4.4Å; L64-L81 HydrophobicContact CD1-CD1 4.02Å; L64-L81 HydrophobicContact CD1-CD2 3.77Å; L64-L81 HydrophobicContact CD1-CG 3.91Å; L64-L81 HydrophobicContact CG-CD1 4.44Å; L64-L82 WeakPolarHBondContact CA-O 3.39Å; L64-I83 HydrophobicContact CD1-CG1 4.03Å
65S93.8Very high76.8Confident10 Ų1064 Ų647%0.0732%0.318CS..EExtended strand (participates in β ladder)trans-161.9152.9177.1620000112.5H63 L82 W115H63-S65 PolarHBondContact NE2-OG 3.44Å; S65-L82 PolarHBondContact N-O 2.78Å; S65-L82 PolarHBondContact O-N 3.16Å; S65-W115 VanDerWaalsContact OG-CD1 3.28Å; S65-W115 PolarHBondContact OG-NE1 2.87Å
66E89.5Confident75.5Confident25 Ų2556.6 Ų56.612%0.11729%0.292CS..EExtended strand (participates in β ladder)trans-75148.6170.1-69.2-176.2177.100111.1H12 P14 Y21 P68 L81 W115 R882H12-E66 PolarHBondContact NE2-N 3.3Å; P14-E66 HydrophobicContact CG-CG 4.01Å; P14-E66 WeakPolarHBondContact CG-OE1 3.33Å; Y21-E66 HydrophobicContact CE2-CG 4.18Å; Y21-E66 WeakPolarHBondContact CE2-OE1 3.32Å; Y21-E66 PolarHBondContact OH-OE1 3.28Å; E66-P68 WeakPolarHBondContact O-CD 3.01Å; E66-L81 HydrophobicContact CG-CD1 4.23Å; E66-W115 PolarHBondContact O-NE1 3.11Å; E66-R882 IonicContact OE1-CZ 3.25Å; E66-R882 IonicContact OE1-NH1 2.65Å; E66-R882 IonicContact OE1-NH2 2.61Å; E66-R882 PolarHBondContact OE1-NH2 3.07Å; E66-R882 IonicContact OE2-CZ 3.38Å; E66-R882 IonicContact OE2-NH1 2.79Å; E66-R882 IonicContact OE2-NH2 3.57Å; E66-R882 PolarHBondContact OE2-NH2 3.49Å
67C88Confident73.9Confident8 Ų853.6 Ų53.65%0.05427%0.27CS..  trans-65.6126.6172.1-177.30000110.5A69 Q80 W115 G119C67-A69 PolarHBondContact O-N 3.43Å; C67-A69 VanDerWaalsContact O-N 3.09Å; C67-Q80 HydrophobicContact CB-CB 4.47Å; C67-Q80 PolarHBondContact N-O 2.63Å; C67-W115 HydrophobicContact CB-CH2 3.91Å; C67-W115 HydrophobicContact CB-CZ2 3.93Å; C67-G119 PolarHBondContact SG-O 3.3Å
68P83.3Confident72.1Confident10 Ų1051.5 Ų51.57%0.06526%0.263CS..  trans-66.1-5.5178.4-24.834.9000116.1E66 D70 W115 Y117 V253 N254E66-P68 WeakPolarHBondContact O-CD 3.01Å; P68-D70 PolarHBondContact O-N 3.35Å; P68-W115 HydrophobicContact CG-CB 3.75Å; P68-W115 HydrophobicContact CG-CD2 4.3Å; P68-W115 HydrophobicContact CG-CG 3.87Å; P68-Y117 WeakPolarHBondContact CB-O 3.3Å; P68-V253 HydrophobicContact CB-CB 4.2Å; P68-V253 HydrophobicContact CB-CG2 3.89Å; P68-V253 HydrophobicContact CG-CB 4.26Å; P68-V253 HydrophobicContact CG-CG2 4.17Å; P68-N254 WeakPolarHBondContact O-CB 3.42Å
69A70.8Confident71.2Confident13 Ų1352.9 Ų52.911%0.10727%0.268CS..  trans-68133.2-17100000113.2C67 F77 T78C67-A69 PolarHBondContact O-N 3.43Å; C67-A69 VanDerWaalsContact O-N 3.09Å; A69-F77 HydrophobicContact CB-CB 3.8Å; A69-F77 HydrophobicContact CB-CD2 4.43Å; A69-F77 HydrophobicContact CB-CG 4.32Å; A69-T78 WeakPolarHBondContact O-CG2 3.41Å
70D54Low70.9Confident94 Ų9452.4 Ų52.450%0.50326%0.262SS..  trans-60.2145.8179.4-104.3-2.5000115.2P68 N72 N254P68-D70 PolarHBondContact O-N 3.35Å; D70-N72 PolarHBondContact O-N 3.21Å; D70-N254 PolarHBondContact OD1-ND2 3.27Å
71D52.3Low70.8Confident101 Ų10150.8 Ų50.854%0.5425%0.252SS..THydrogen-bonded Turntrans-52.7-16.7172.7-80.9-37.2000115.1K73 T78D71-K73 PolarHBondContact O-N 3.06Å; D71-T78 HydrophobicContact CB-CG2 4.42Å; D71-T78 VanDerWaalsContact OD1-CB 3.24Å; D71-T78 WeakPolarHBondContact OD1-CB 3.12Å; D71-T78 WeakPolarHBondContact OD1-CG2 3.3Å; D71-T78 PolarHBondContact OD1-OG1 3.28Å
72N46.2Very low70.8Confident78 Ų7850.8 Ų50.842%0.41725%0.252SS..THydrogen-bonded Turntrans-84.3-4.9-159.2-83.4-0.3000116.8D70 Q866 K870D70-N72 PolarHBondContact O-N 3.21Å; N72-Q866 PolarHBondContact OD1-NE2 3.32Å; N72-K870 WeakPolarHBondContact OD1-CE 3.08Å; N72-K870 PolarHBondContact OD1-NZ 2.93Å
73K44.5Very low70.9Confident142 Ų14249 Ų4962%0.61724%0.241SC*.SBendtrans-115.5132.7165.7-76.3174.8179.4171.60106.4D71 T75D71-K73 PolarHBondContact O-N 3.06Å; K73-T75 CarbonylContact O-C 3.6Å; K73-T75 WeakPolarHBondContact O-CA 3.45Å; K73-T75 PolarHBondContact O-N 2.86Å; K73-T75 PolarHBondContact O-OG1 3Å; K73-T75 VanDerWaalsContact O-OG1 3.11Å
74R37.9Very low70.9Confident263 Ų26347.5 Ų47.599%0.99223%0.234SC*.SBendtrans-33.6-7.6171.8-172.7176.2179.4-172.50.7117.4S76R74-S76 PolarHBondContact O-N 2.89Å
75T41.8Very low71Confident73 Ų7347.2 Ų47.245%0.44823%0.233SC..SBendtrans-75.8112.6170.751.80000111K73 F77K73-T75 CarbonylContact O-C 3.6Å; K73-T75 WeakPolarHBondContact O-CA 3.45Å; K73-T75 PolarHBondContact O-N 2.86Å; K73-T75 PolarHBondContact O-OG1 3Å; K73-T75 VanDerWaalsContact O-OG1 3.11Å; T75-F77 HydrophobicContact CG2-CD2 4.42Å; T75-F77 HydrophobicContact CG2-CE2 3.86Å; T75-F77 PolarHBondContact O-N 3.14Å; T75-F77 VanDerWaalsContact OG1-CD2 3.28Å; T75-F77 WeakPolarHBondContact OG1-CD2 3.37Å; T75-F77 WeakPolarHBondContact OG1-CE2 3.46Å
76S47.3Very low71.1Confident52 Ų5249.2 Ų49.236%0.36424%0.241SC..  trans-62.364.3176.1-170.60000112.9R74 Q80R74-S76 PolarHBondContact O-N 2.89Å; S76-Q80 VanDerWaalsContact O-CD 3.32Å; S76-Q80 WeakPolarHBondContact O-CG 3.26Å; S76-Q80 PolarHBondContact O-NE2 3.29Å
77F50.3Low71.4Confident52 Ų5250.2 Ų50.223%0.22825%0.251CS..  trans-96.3-25.3177.9-70-64.1000113.1A69 T75 F79 Q80 L136A69-F77 HydrophobicContact CB-CB 3.8Å; A69-F77 HydrophobicContact CB-CD2 4.43Å; A69-F77 HydrophobicContact CB-CG 4.32Å; T75-F77 HydrophobicContact CG2-CD2 4.42Å; T75-F77 HydrophobicContact CG2-CE2 3.86Å; T75-F77 PolarHBondContact O-N 3.14Å; T75-F77 VanDerWaalsContact OG1-CD2 3.28Å; T75-F77 WeakPolarHBondContact OG1-CD2 3.37Å; T75-F77 WeakPolarHBondContact OG1-CE2 3.46Å; F77-F79 PolarHBondContact O-N 3.26Å; F77-F79 VanDerWaalsContact O-N 3.15Å; F77-Q80 WeakPolarHBondContact O-CB 3.26Å; F77-Q80 PolarHBondContact O-N 2.91Å; F77-L136 HydrophobicContact CD1-CD1 3.82Å; F77-L136 HydrophobicContact CE1-CB 4.48Å; F77-L136 HydrophobicContact CE1-CD1 3.61Å; F77-L136 HydrophobicContact CZ-CD1 4.27Å
78T54.2Low71.7Confident34 Ų3449.9 Ų49.921%0.20925%0.248CC..THydrogen-bonded Turntrans-69.8-10.8-175.138.40000115.6A69 D71A69-T78 WeakPolarHBondContact O-CG2 3.41Å; D71-T78 HydrophobicContact CB-CG2 4.42Å; D71-T78 VanDerWaalsContact OD1-CB 3.24Å; D71-T78 WeakPolarHBondContact OD1-CB 3.12Å; D71-T78 WeakPolarHBondContact OD1-CG2 3.3Å; D71-T78 PolarHBondContact OD1-OG1 3.28Å
79F72.6Confident72.3Confident31 Ų3149.6 Ų49.614%0.13625%0.246CC..THydrogen-bonded Turntrans-110.420.8172.5-64.5-77.1000112.1F77 L95 K96 L880 L885F77-F79 PolarHBondContact O-N 3.26Å; F77-F79 VanDerWaalsContact O-N 3.15Å; F79-L95 HydrophobicContact CB-CB 4.24Å; F79-L95 VanDerWaalsContact O-CB 3.27Å; F79-L95 WeakPolarHBondContact O-CB 3.23Å; F79-L95 VanDerWaalsContact O-CG 3.29Å; F79-L95 WeakPolarHBondContact O-CG 3.24Å; F79-L95 PolarHBondContact O-N 3.04Å; F79-K96 HydrophobicContact CB-CB 4.42Å; F79-L880 HydrophobicContact CE1-CB 4.38Å; F79-L880 HydrophobicContact CE2-CB 4.32Å; F79-L880 HydrophobicContact CZ-CB 3.77Å; F79-L885 HydrophobicContact CD1-CD1 3.94Å; F79-L885 HydrophobicContact CE1-CD1 4Å
80Q86Confident73.5Confident5 Ų549 Ų492%0.02324%0.241CC..EExtended strand (participates in β ladder)trans-103.2121.4-178.7-63.2-169.1-16.900111.7C67 S76 F77 L92 W93 D101C67-Q80 HydrophobicContact CB-CB 4.47Å; C67-Q80 PolarHBondContact N-O 2.63Å; S76-Q80 VanDerWaalsContact O-CD 3.32Å; S76-Q80 WeakPolarHBondContact O-CG 3.26Å; S76-Q80 PolarHBondContact O-NE2 3.29Å; F77-Q80 WeakPolarHBondContact O-CB 3.26Å; F77-Q80 PolarHBondContact O-N 2.91Å; Q80-L92 HydrophobicContact CB-CD1 3.8Å; Q80-L92 HydrophobicContact CB-CG 3.99Å; Q80-L92 HydrophobicContact CG-CG 4.45Å; Q80-W93 CarbonylContact C-O 3.56Å; Q80-W93 VanDerWaalsContact CA-O 3.27Å; Q80-W93 WeakPolarHBondContact CA-O 3.36Å; Q80-D101 VanDerWaalsContact NE2-CG 3.25Å; Q80-D101 PolarHBondContact NE2-OD2 3.1Å
81L92.1Very high75.5Confident0 Ų044.5 Ų44.50%022%0.217CC..EExtended strand (participates in β ladder)trans-102.2120.6178.6-173.771.9000108.9Y21 V29 I44 L64 E66 I83 W93 L95Y21-L81 HydrophobicContact CD1-CD1 4.39Å; Y21-L81 HydrophobicContact CD1-CD2 4.04Å; Y21-L81 HydrophobicContact CD2-CD1 4.31Å; Y21-L81 HydrophobicContact CE1-CD2 4.3Å; Y21-L81 HydrophobicContact CE2-CD1 4.38Å; Y21-L81 HydrophobicContact CG-CD1 4.31Å; V29-L81 HydrophobicContact CG1-CD2 4.34Å; I44-L81 HydrophobicContact CD1-CD2 3.68Å; L64-L81 HydrophobicContact CD1-CD1 4.02Å; L64-L81 HydrophobicContact CD1-CD2 3.77Å; L64-L81 HydrophobicContact CD1-CG 3.91Å; L64-L81 HydrophobicContact CG-CD1 4.44Å; E66-L81 HydrophobicContact CG-CD1 4.23Å; L81-I83 HydrophobicContact CD2-CD1 4.41Å; L81-I83 HydrophobicContact CD2-CG1 4.29Å; L81-I83 HydrophobicContact CG-CG1 4.28Å; L81-W93 HydrophobicContact CB-CB 4.42Å; L81-W93 PolarHBondContact N-O 3.41Å; L81-W93 WeakPolarHBondContact O-CB 3.43Å; L81-W93 PolarHBondContact O-N 2.69Å; L81-L95 HydrophobicContact CB-CD1 4.46Å; L81-L95 HydrophobicContact CB-CD2 4.41Å; L81-L95 HydrophobicContact CB-CG 4.35Å; L81-L95 HydrophobicContact CD2-CD2 4.41Å
82L96Very high77.5Confident0 Ų039.7 Ų39.70%019%0.192CC..EExtended strand (participates in β ladder)trans-86.3123.2173.4-176.567.8000109.6L64 S65 L90 V91 L92 V113 W115 F122L64-L82 WeakPolarHBondContact CA-O 3.39Å; S65-L82 PolarHBondContact N-O 2.78Å; S65-L82 PolarHBondContact O-N 3.16Å; L82-L90 HydrophobicContact CD1-CB 4.14Å; L82-L90 HydrophobicContact CD1-CD2 4.39Å; L82-L90 HydrophobicContact CD2-CD2 4.39Å; L82-L90 HydrophobicContact CG-CD2 4.5Å; L82-V91 WeakPolarHBondContact CA-O 3.27Å; L82-L92 HydrophobicContact CB-CD1 4.27Å; L82-L92 HydrophobicContact CD1-CD1 4.36Å; L82-V113 HydrophobicContact CD2-CG1 3.96Å; L82-W115 HydrophobicContact CB-CH2 4.42Å; L82-W115 HydrophobicContact CB-CZ2 3.54Å; L82-W115 HydrophobicContact CD2-CH2 4.16Å; L82-W115 HydrophobicContact CD2-CZ2 3.59Å; L82-W115 HydrophobicContact CG-CZ2 4.14Å; L82-F122 HydrophobicContact CD1-CZ 4.48Å; L82-F122 HydrophobicContact CD2-CB 4.47Å; L82-F122 HydrophobicContact CD2-CD1 4.16Å; L82-F122 HydrophobicContact CD2-CD2 4.17Å; L82-F122 HydrophobicContact CD2-CE1 4.47Å; L82-F122 HydrophobicContact CD2-CE2 4.47Å; L82-F122 HydrophobicContact CD2-CG 4.01Å
83I97.2Very high79.7Confident0 Ų036.1 Ų36.10%017%0.172CC..EExtended strand (participates in β ladder)trans-116.4114.3179.4-51.2172000107.6V29 I44 I61 L64 L81 Y85 L90 V91 W93V29-I83 HydrophobicContact CG2-CD1 3.94Å; V29-I83 HydrophobicContact CG2-CG1 4.33Å; V29-I83 HydrophobicContact CG2-CG2 4.44Å; I44-I83 HydrophobicContact CD1-CD1 4.15Å; I44-I83 HydrophobicContact CG2-CD1 3.97Å; I61-I83 HydrophobicContact CD1-CG2 4.13Å; I61-I83 HydrophobicContact CG1-CG2 4.43Å; I61-I83 HydrophobicContact CG2-CG2 4.1Å; L64-I83 HydrophobicContact CD1-CG1 4.03Å; L81-I83 HydrophobicContact CD2-CD1 4.41Å; L81-I83 HydrophobicContact CD2-CG1 4.29Å; L81-I83 HydrophobicContact CG-CG1 4.28Å; I83-Y85 HydrophobicContact CB-CE2 4.34Å; I83-Y85 HydrophobicContact CG2-CD2 4.41Å; I83-Y85 HydrophobicContact CG2-CE1 4.2Å; I83-Y85 HydrophobicContact CG2-CE2 3.75Å; I83-L90 CarbonylContact O-C 3.52Å; I83-L90 VanDerWaalsContact O-CA 3.3Å; I83-L90 WeakPolarHBondContact O-CA 3.3Å; I83-V91 PolarHBondContact N-O 3.01Å; I83-V91 PolarHBondContact O-N 2.73Å; I83-W93 HydrophobicContact CD1-CB 4.15Å
84G97.1Very high81.9Confident0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-103.5126.7175.700000111.4V62 H63V62-G84 PolarHBondContact N-O 3.3Å; H63-G84 PolarHBondContact N-O 2.84Å; H63-G84 VanDerWaalsContact N-O 3.17Å; H63-G84 PolarHBondContact O-N 2.82Å
85Y97Very high84.2Confident0 Ų017.6 Ų17.60%010%0.1CC..EExtended strand (participates in β ladder)trans-102.4152.8178.9-61.9-86.6000112G27 W46 A49 I50 P58 V60 I61 I83 C87 G88 T89 V91 L110G27-Y85 WeakPolarHBondContact O-CE1 3.32Å; W46-Y85 HydrophobicContact CB-CE1 4.01Å; A49-Y85 WeakPolarHBondContact CB-OH 3.35Å; I50-Y85 HydrophobicContact CG2-CD2 4.29Å; I50-Y85 HydrophobicContact CG2-CE2 3.93Å; P58-Y85 HydrophobicContact CB-CD1 3.82Å; P58-Y85 HydrophobicContact CB-CD2 4.37Å; P58-Y85 HydrophobicContact CB-CE1 4.45Å; P58-Y85 HydrophobicContact CB-CG 3.77Å; P58-Y85 HydrophobicContact CG-CD1 3.71Å; P58-Y85 HydrophobicContact CG-CE1 3.93Å; P58-Y85 HydrophobicContact CG-CG 4.16Å; V60-Y85 WeakPolarHBondContact O-CA 3.35Å; I61-Y85 HydrophobicContact CG1-CD1 4.39Å; I61-Y85 HydrophobicContact CG1-CE1 4.16Å; I83-Y85 HydrophobicContact CB-CE2 4.34Å; I83-Y85 HydrophobicContact CG2-CD2 4.41Å; I83-Y85 HydrophobicContact CG2-CE1 4.2Å; I83-Y85 HydrophobicContact CG2-CE2 3.75Å; Y85-C87 PolarHBondContact O-N 2.92Å; Y85-C87 VanDerWaalsContact O-N 3.16Å; Y85-G88 PolarHBondContact O-N 2.84Å; Y85-T89 WeakPolarHBondContact CD2-O 3.38Å; Y85-T89 PolarHBondContact N-O 2.73Å; Y85-V91 HydrophobicContact CE2-CG2 4.02Å; Y85-L110 WeakPolarHBondContact O-CB 3.25Å
86E95.8Very high86.2Confident52 Ų5218.6 Ų18.624%0.24310%0.098CC..THydrogen-bonded Turntrans-54.8-34.5-179.8-166.2-163.2152.600113.3V60 V62 G88 K109 L110V60-E86 HydrophobicContact CG2-CB 4.01Å; V60-E86 HydrophobicContact CG2-CG 4.44Å; V60-E86 PolarHBondContact O-N 3.36Å; V62-E86 HydrophobicContact CG2-CB 3.94Å; V62-E86 HydrophobicContact CG2-CG 4.4Å; E86-G88 PolarHBondContact O-N 2.88Å; E86-K109 HydrophobicContact CG-CD 4.34Å; E86-K109 CarbonylContact O-C 3.54Å; E86-K109 WeakPolarHBondContact O-CA 3.42Å; E86-K109 WeakPolarHBondContact O-CB 3.24Å; E86-K109 WeakPolarHBondContact O-CG 3.47Å; E86-K109 IonicContact OE1-NZ 3.77Å; E86-K109 PolarHBondContact OE1-NZ 2.84Å; E86-L110 PolarHBondContact O-N 3.17Å
87C94.5Very high88Confident47 Ų4721.7 Ų21.732%0.31811%0.107SC..THydrogen-bonded Turntrans-65.4-6.3177.866.70000114.7P58 Y85 T89P58-C87 WeakPolarHBondContact O-CB 3.25Å; P58-C87 PolarHBondContact O-N 2.84Å; P58-C87 PolarHBondContact O-SG 2.7Å; Y85-C87 PolarHBondContact O-N 2.92Å; Y85-C87 VanDerWaalsContact O-N 3.16Å; C87-T89 PolarHBondContact SG-N 2.81Å; C87-T89 PolarHBondContact SG-OG1 2.99Å
88G95.1Very high89.9Confident0 Ų024.4 Ų24.40%012%0.115CC..SBendtrans92.9-2.1-176.400000114.3Y85 E86 L90 C106Y85-G88 PolarHBondContact O-N 2.84Å; E86-G88 PolarHBondContact O-N 2.88Å; G88-L90 WeakPolarHBondContact O-CD1 3.12Å; G88-C106 WeakPolarHBondContact O-CB 3.36Å; G88-C106 PolarHBondContact O-N 2.83Å
89T95.3Very high91.6Very high5 Ų526.2 Ų26.23%0.03113%0.126CC..EExtended strand (participates in β ladder)trans-77.7131.9171.7-53.90000109.8I50 Y85 C87 V91 Y104 Q105I50-T89 HydrophobicContact CG2-CG2 4.39Å; Y85-T89 WeakPolarHBondContact CD2-O 3.38Å; Y85-T89 PolarHBondContact N-O 2.73Å; C87-T89 PolarHBondContact SG-N 2.81Å; C87-T89 PolarHBondContact SG-OG1 2.99Å; T89-V91 HydrophobicContact CG2-CG2 4.36Å; T89-Y104 WeakPolarHBondContact CA-O 3.31Å; T89-Q105 PolarHBondContact OG1-OE1 2.82Å
90L96.7Very high92.6Very high0 Ų025.9 Ų25.90%013%0.127CC..EExtended strand (participates in β ladder)trans-118.5141.8169.1-56.693.3000110.5L82 I83 G88 R103 Y104 C106 L110 V113 F122L82-L90 HydrophobicContact CD1-CB 4.14Å; L82-L90 HydrophobicContact CD1-CD2 4.39Å; L82-L90 HydrophobicContact CD2-CD2 4.39Å; L82-L90 HydrophobicContact CG-CD2 4.5Å; I83-L90 CarbonylContact O-C 3.52Å; I83-L90 VanDerWaalsContact O-CA 3.3Å; I83-L90 WeakPolarHBondContact O-CA 3.3Å; G88-L90 WeakPolarHBondContact O-CD1 3.12Å; L90-R103 CarbonylContact O-C 3.52Å; L90-R103 WeakPolarHBondContact O-CA 3.41Å; L90-Y104 HydrophobicContact CB-CD2 4.35Å; L90-Y104 PolarHBondContact N-O 3.44Å; L90-Y104 PolarHBondContact O-N 3.22Å; L90-C106 VanDerWaalsContact CD1-SG 3.58Å; L90-L110 HydrophobicContact CD1-CD2 4.47Å; L90-L110 HydrophobicContact CD2-CD2 4.16Å; L90-L110 HydrophobicContact CG-CD2 4.15Å; L90-V113 HydrophobicContact CD2-CG1 4.35Å; L90-V113 HydrophobicContact CD2-CG2 3.58Å; L90-F122 HydrophobicContact CD2-CD2 4.34Å; L90-F122 HydrophobicContact CD2-CE2 3.79Å
91V95.2Very high92.7Very high0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-126.1126.5-177.3175.70000109.3A49 I50 L82 I83 Y85 T89 T100 R103A49-V91 HydrophobicContact CB-CG1 4.11Å; A49-V91 HydrophobicContact CB-CG2 4.35Å; I50-V91 HydrophobicContact CG2-CG2 4.42Å; L82-V91 WeakPolarHBondContact CA-O 3.27Å; I83-V91 PolarHBondContact N-O 3.01Å; I83-V91 PolarHBondContact O-N 2.73Å; Y85-V91 HydrophobicContact CE2-CG2 4.02Å; T89-V91 HydrophobicContact CG2-CG2 4.36Å; V91-T100 HydrophobicContact CG1-CG2 3.52Å; V91-R103 HydrophobicContact CG2-CG 4.42Å
92L94.3Very high92.7Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-93.1109.7168-16663.6000108.1Q80 L82 D101 S102 Y104 W115 L136Q80-L92 HydrophobicContact CB-CD1 3.8Å; Q80-L92 HydrophobicContact CB-CG 3.99Å; Q80-L92 HydrophobicContact CG-CG 4.45Å; L82-L92 HydrophobicContact CB-CD1 4.27Å; L82-L92 HydrophobicContact CD1-CD1 4.36Å; L92-D101 PolarHBondContact O-N 2.99Å; L92-S102 PolarHBondContact N-O 3.48Å; L92-S102 PolarHBondContact O-N 2.78Å; L92-Y104 HydrophobicContact CB-CE2 4.29Å; L92-W115 HydrophobicContact CD1-CH2 4.26Å; L92-L136 HydrophobicContact CD2-CD2 3.77Å
93W93.8Very high92.6Very high3 Ų335.4 Ų35.41%0.01117%0.172CC..EExtended strand (participates in β ladder)trans-102.7123-171.7179.8-89.4000111.1Y42 I44 K48 A49 Q80 L81 I83 L95 R98Y42-W93 PolarHBondContact OH-NE1 3.32Å; I44-W93 HydrophobicContact CD1-CD2 4.34Å; I44-W93 HydrophobicContact CD1-CG 3.96Å; I44-W93 HydrophobicContact CG1-CZ2 4.41Å; I44-W93 HydrophobicContact CG2-CD2 3.81Å; I44-W93 HydrophobicContact CG2-CE3 3.94Å; I44-W93 HydrophobicContact CG2-CG 4.37Å; I44-W93 HydrophobicContact CG2-CH2 4.2Å; I44-W93 HydrophobicContact CG2-CZ2 4.06Å; I44-W93 HydrophobicContact CG2-CZ3 4.14Å; K48-W93 HydrophobicContact CD-CH2 3.9Å; K48-W93 HydrophobicContact CG-CH2 4.02Å; K48-W93 HydrophobicContact CG-CZ3 4.35Å; A49-W93 HydrophobicContact CB-CE3 4.2Å; A49-W93 HydrophobicContact CB-CZ3 4.29Å; Q80-W93 CarbonylContact C-O 3.56Å; Q80-W93 VanDerWaalsContact CA-O 3.27Å; Q80-W93 WeakPolarHBondContact CA-O 3.36Å; L81-W93 HydrophobicContact CB-CB 4.42Å; L81-W93 PolarHBondContact N-O 3.41Å; L81-W93 WeakPolarHBondContact O-CB 3.43Å; L81-W93 PolarHBondContact O-N 2.69Å; I83-W93 HydrophobicContact CD1-CB 4.15Å; W93-L95 PolarHBondContact O-N 2.8Å; W93-R98 VanDerWaalsContact CH2-O 3.26Å; W93-R98 WeakPolarHBondContact CH2-O 3.23Å; W93-R98 HydrophobicContact CZ2-CB 4.27Å; W93-R98 VanDerWaalsContact CZ2-O 3.23Å; W93-R98 WeakPolarHBondContact CZ2-O 3.45Å
94D90.1Very high92.5Very high13 Ų1335.5 Ų35.57%0.0717%0.173CC..EExtended strand (participates in β ladder)trans-80.7111.6173.8-169.8-41.7000109.9K96 E97 R98 V99D94-K96 VanDerWaalsContact C-N 3.3Å; D94-K96 PolarHBondContact O-N 2.81Å; D94-K96 WeakPolarHBondContact OD1-CA 3.37Å; D94-K96 VanDerWaalsContact OD1-CB 3.29Å; D94-K96 WeakPolarHBondContact OD1-CB 3.42Å; D94-K96 PolarHBondContact OD1-N 3.18Å; D94-E97 HydrophobicContact CB-CB 4.37Å; D94-E97 PolarHBondContact OD1-N 3.22Å; D94-R98 WeakPolarHBondContact O-CA 3.46Å; D94-R98 PolarHBondContact O-N 3.19Å; D94-V99 HydrophobicContact CB-CG2 4.44Å; D94-V99 PolarHBondContact N-O 2.84Å; D94-V99 PolarHBondContact O-N 3.28Å
95L86.4Confident92.4Very high3 Ų339.8 Ų39.82%0.01619%0.192CC..THydrogen-bonded Turntrans-68-29.6179.5-67.1168000112.7Y21 Y42 I44 F79 L81 W93 F886Y21-L95 HydrophobicContact CE1-CD1 4.35Å; Y21-L95 HydrophobicContact CE1-CD2 4.3Å; Y21-L95 WeakPolarHBondContact OH-CD1 3.42Å; Y42-L95 HydrophobicContact CE1-CD2 3.95Å; I44-L95 HydrophobicContact CD1-CD2 4.27Å; F79-L95 HydrophobicContact CB-CB 4.24Å; F79-L95 VanDerWaalsContact O-CB 3.27Å; F79-L95 WeakPolarHBondContact O-CB 3.23Å; F79-L95 VanDerWaalsContact O-CG 3.29Å; F79-L95 WeakPolarHBondContact O-CG 3.24Å; F79-L95 PolarHBondContact O-N 3.04Å; L81-L95 HydrophobicContact CB-CD1 4.46Å; L81-L95 HydrophobicContact CB-CD2 4.41Å; L81-L95 HydrophobicContact CB-CG 4.35Å; L81-L95 HydrophobicContact CD2-CD2 4.41Å; W93-L95 PolarHBondContact O-N 2.8Å; L95-F886 HydrophobicContact CD1-CZ 4.46Å; L95-F886 HydrophobicContact CD2-CZ 4.22Å
96K83.8Confident92.3Very high93 Ų9340 Ų4040%0.40419%0.194SC..THydrogen-bonded Turntrans-76.6-54-178.2179.3-173.2174.9175.90110.5F79 D94 R98 L880F79-K96 HydrophobicContact CB-CB 4.42Å; D94-K96 VanDerWaalsContact C-N 3.3Å; D94-K96 PolarHBondContact O-N 2.81Å; D94-K96 WeakPolarHBondContact OD1-CA 3.37Å; D94-K96 VanDerWaalsContact OD1-CB 3.29Å; D94-K96 WeakPolarHBondContact OD1-CB 3.42Å; D94-K96 PolarHBondContact OD1-N 3.18Å; K96-R98 VanDerWaalsContact C-N 3.3Å; K96-L880 HydrophobicContact CD-CD1 3.66Å; K96-L880 VanDerWaalsContact CE-CD1 3.44Å; K96-L880 HydrophobicContact CG-CD1 4.16Å
97E85.2Confident92.1Very high118 Ų11842.4 Ų42.455%0.55121%0.206SC*.THydrogen-bonded Turntrans-81.9-12-179.8-61.9-56.4143.200112.3D94 V99D94-E97 HydrophobicContact CB-CB 4.37Å; D94-E97 PolarHBondContact OD1-N 3.22Å; E97-V99 VanDerWaalsContact C-N 3.25Å; E97-V99 HydrophobicContact CB-CG2 3.71Å; E97-V99 PolarHBondContact O-N 2.93Å
98R89Confident92.1Very high108 Ų10843.1 Ų43.141%0.40821%0.207SC..THydrogen-bonded Turntrans56.439.9179.1-52.4179.4167.9-168.4-2.7112.3Y42 K48 W93 D94 K96 L885Y42-R98 HydrophobicContact CE2-CB 4.48Å; Y42-R98 HydrophobicContact CE2-CG 3.81Å; K48-R98 WeakPolarHBondContact CE-O 3.13Å; K48-R98 PolarHBondContact NZ-O 3.27Å; W93-R98 VanDerWaalsContact CH2-O 3.26Å; W93-R98 WeakPolarHBondContact CH2-O 3.23Å; W93-R98 HydrophobicContact CZ2-CB 4.27Å; W93-R98 VanDerWaalsContact CZ2-O 3.23Å; W93-R98 WeakPolarHBondContact CZ2-O 3.45Å; D94-R98 WeakPolarHBondContact O-CA 3.46Å; D94-R98 PolarHBondContact O-N 3.19Å; K96-R98 VanDerWaalsContact C-N 3.3Å; R98-L885 PolarHBondContact NH2-O 3.17Å
99V91.2Very high92.2Very high72 Ų7248 Ų4844%0.43623%0.228SC..EExtended strand (participates in β ladder)trans-132.8162.6180-65.90000110.6D94 E97D94-V99 HydrophobicContact CB-CG2 4.44Å; D94-V99 PolarHBondContact N-O 2.84Å; D94-V99 PolarHBondContact O-N 3.28Å; E97-V99 VanDerWaalsContact C-N 3.25Å; E97-V99 HydrophobicContact CB-CG2 3.71Å; E97-V99 PolarHBondContact O-N 2.93Å
100T92Very high92.3Very high24 Ų2447.9 Ų47.915%0.14723%0.227CC..EExtended strand (participates in β ladder)trans-78.1120.4169.1-58.90000109.7A49 V91 R103A49-T100 WeakPolarHBondContact CA-OG1 3.3Å; A49-T100 PolarHBondContact O-OG1 3.32Å; V91-T100 HydrophobicContact CG1-CG2 3.52Å; T100-R103 VanDerWaalsContact CB-NH2 3.34Å; T100-R103 HydrophobicContact CG2-CG 3.61Å; T100-R103 PolarHBondContact OG1-NH2 2.93Å
101D89.8Confident92.2Very high80 Ų8052.6 Ų52.643%0.42825%0.245SC..EExtended strand (participates in β ladder)trans-79.8-51.4175.9179.159.4000110.7Q80 L92Q80-D101 VanDerWaalsContact NE2-CG 3.25Å; Q80-D101 PolarHBondContact NE2-OD2 3.1Å; L92-D101 PolarHBondContact O-N 2.99Å
102S92.1Very high92.3Very high24 Ų2453.3 Ų53.317%0.16825%0.25CC..EExtended strand (participates in β ladder)trans-142.8154.8-176.2-66.60000112L92L92-S102 PolarHBondContact N-O 3.48Å; L92-S102 PolarHBondContact O-N 2.78Å
103R93.7Very high92.4Very high101 Ų10153.6 Ų53.638%0.38125%0.252SS..EExtended strand (participates in β ladder)trans-130.4145177.1-62.2-174.7178.287.2-0.9110.5A49 L90 V91 T100A49-R103 PolarHBondContact O-NE 2.76Å; A49-R103 PolarHBondContact O-NH2 2.83Å; L90-R103 CarbonylContact O-C 3.52Å; L90-R103 WeakPolarHBondContact O-CA 3.41Å; V91-R103 HydrophobicContact CG2-CG 4.42Å; T100-R103 VanDerWaalsContact CB-NH2 3.34Å; T100-R103 HydrophobicContact CG2-CG 3.61Å; T100-R103 PolarHBondContact OG1-NH2 2.93Å
104Y95.4Very high92.5Very high3 Ų354.2 Ų54.21%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-133.3146.1178.5-48.7-91.8000109T89 L90 L92 F122 W134 L136 T139T89-Y104 WeakPolarHBondContact CA-O 3.31Å; L90-Y104 HydrophobicContact CB-CD2 4.35Å; L90-Y104 PolarHBondContact N-O 3.44Å; L90-Y104 PolarHBondContact O-N 3.22Å; L92-Y104 HydrophobicContact CB-CE2 4.29Å; Y104-F122 HydrophobicContact CD1-CE1 4.45Å; Y104-F122 AromaticContact CD1-CZ 3.97Å; Y104-F122 HydrophobicContact CD1-CZ 3.97Å; Y104-F122 HydrophobicContact CD2-CE1 4.15Å; Y104-F122 AromaticContact CD2-CZ 3.65Å; Y104-F122 HydrophobicContact CD2-CZ 3.65Å; Y104-F122 HydrophobicContact CE1-CE1 4.22Å; Y104-F122 HydrophobicContact CE1-CZ 4.21Å; Y104-F122 AromaticContact CE2-CE1 3.95Å; Y104-F122 HydrophobicContact CE2-CE1 3.95Å; Y104-F122 AromaticContact CE2-CZ 3.94Å; Y104-F122 HydrophobicContact CE2-CZ 3.94Å; Y104-F122 HydrophobicContact CG-CE1 4.42Å; Y104-F122 AromaticContact CG-CZ 3.69Å; Y104-F122 HydrophobicContact CG-CZ 3.69Å; Y104-F122 AromaticContact CZ-CE1 3.99Å; Y104-W134 HydrophobicContact CD1-CB 4.25Å; Y104-W134 AromaticContact CD1-CD2 3.9Å; Y104-W134 HydrophobicContact CD1-CD2 3.9Å; Y104-W134 AromaticContact CD1-CE3 3.56Å; Y104-W134 HydrophobicContact CD1-CE3 3.56Å; Y104-W134 HydrophobicContact CD1-CG 4.21Å; Y104-W134 HydrophobicContact CD1-CZ3 4.18Å; Y104-W134 HydrophobicContact CE1-CE3 4.44Å; Y104-W134 HydrophobicContact CG-CD2 4.37Å; Y104-W134 HydrophobicContact CG-CE3 4.36Å; Y104-L136 WeakPolarHBondContact OH-CA 3.37Å; Y104-L136 WeakPolarHBondContact OH-CD2 3.22Å; Y104-T139 HydrophobicContact CD1-CG2 4.29Å; Y104-T139 HydrophobicContact CE1-CG2 3.66Å
105Q94.6Very high92.7Very high89 Ų8954.9 Ų54.942%0.41626%0.258SS..EExtended strand (participates in β ladder)trans-131.1108.1-176.3-177.359.753.100110.6T89 W134T89-Q105 PolarHBondContact OG1-OE1 2.82Å; Q105-W134 VanDerWaalsContact O-CZ2 3.23Å; Q105-W134 WeakPolarHBondContact O-CZ2 3.09Å
106C95.1Very high92.9Very high4 Ų455.8 Ų55.83%0.02726%0.262CS..  trans-70.2153.6170.9-670000111.5G88 L90 N108 L126 M132G88-C106 WeakPolarHBondContact O-CB 3.36Å; G88-C106 PolarHBondContact O-N 2.83Å; L90-C106 VanDerWaalsContact CD1-SG 3.58Å; C106-N108 PolarHBondContact O-N 2.97Å; C106-L126 HydrophobicContact CB-CD1 4.29Å; C106-L126 HydrophobicContact CB-CD2 3.73Å; C106-M132 HydrophobicContact CB-SD 4.01Å
107M91.5Very high92.9Very high104 Ų10454.6 Ų54.651%0.51226%0.256SS..SBendtrans-70.1-19.1178.564.5-172.5-79.800114L126 N128 M132 V145M107-L126 HydrophobicContact CG-CD1 3.84Å; M107-L126 HydrophobicContact SD-CD1 4.5Å; M107-N128 WeakPolarHBondContact CE-ND2 3.26Å; M107-M132 HydrophobicContact CB-CE 4.01Å; M107-M132 HydrophobicContact CG-CE 3.59Å; M107-M132 HydrophobicContact SD-CE 3.73Å; M107-V145 HydrophobicContact SD-CG1 4.08Å
108N94.3Very high93Very high61 Ų6150.4 Ų50.433%0.32624%0.244SC..SBendtrans-147.6173.7-173.1-94.2-45.6000110.4C106 L110 L126 V127 N128C106-N108 PolarHBondContact O-N 2.97Å; N108-L110 PolarHBondContact O-N 2.88Å; N108-L126 HydrophobicContact CB-CB 4.43Å; N108-L126 HydrophobicContact CB-CD1 4.47Å; N108-V127 HydrophobicContact CB-CG1 4.11Å; N108-N128 WeakPolarHBondContact ND2-CB 3.42Å; N108-N128 PolarHBondContact ND2-ND2 2.99Å; N108-N128 VanDerWaalsContact ND2-ND2 3.13Å
109K95.9Very high92.9Very high104 Ų10445.3 Ų45.345%0.45223%0.225SC..  trans-58.2136.7177.9-67.8-171.3170.3-162.10112.1E86 L126 V127E86-K109 HydrophobicContact CG-CD 4.34Å; E86-K109 CarbonylContact O-C 3.54Å; E86-K109 WeakPolarHBondContact O-CA 3.42Å; E86-K109 WeakPolarHBondContact O-CB 3.24Å; E86-K109 WeakPolarHBondContact O-CG 3.47Å; E86-K109 IonicContact OE1-NZ 3.77Å; E86-K109 PolarHBondContact OE1-NZ 2.84Å; K109-L126 WeakPolarHBondContact O-CA 3.39Å; K109-V127 HydrophobicContact CB-CB 4.19Å; K109-V127 HydrophobicContact CB-CG1 3.81Å; K109-V127 PolarHBondContact O-N 3Å
110L97.5Very high92.8Very high1 Ų148.4 Ų48.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-79.5139.5-178.9-172.164.3000111.2V62 Y85 E86 L90 N108 S112 V113 C124 L126V62-L110 HydrophobicContact CB-CD2 4.3Å; V62-L110 HydrophobicContact CB-CG 4.47Å; V62-L110 HydrophobicContact CG1-CD2 4.39Å; V62-L110 HydrophobicContact CG1-CG 4.15Å; Y85-L110 WeakPolarHBondContact O-CB 3.25Å; E86-L110 PolarHBondContact O-N 3.17Å; L90-L110 HydrophobicContact CD1-CD2 4.47Å; L90-L110 HydrophobicContact CD2-CD2 4.16Å; L90-L110 HydrophobicContact CG-CD2 4.15Å; N108-L110 PolarHBondContact O-N 2.88Å; L110-S112 WeakPolarHBondContact CD1-O 3.37Å; L110-V113 HydrophobicContact CD1-CG2 3.86Å; L110-V113 HydrophobicContact CD2-CG2 3.79Å; L110-V113 HydrophobicContact CG-CG2 4.22Å; L110-C124 HydrophobicContact CD1-CB 3.65Å; L110-L126 HydrophobicContact CD1-CD2 4.09Å
111R96.2Very high92.9Very high99 Ų9950 Ų5037%0.37423%0.234SC..EExtended strand (participates in β ladder)trans-113.6-44.5175.5-70.1-60.2-167.2-166.53.7113.2V62 S125 I192V62-R111 VanDerWaalsContact CG1-C 3.46Å; V62-R111 WeakPolarHBondContact CG1-O 3.39Å; R111-S125 PolarHBondContact N-O 2.91Å; R111-I192 WeakPolarHBondContact CB-O 3.19Å; R111-I192 WeakPolarHBondContact CG-O 3.44Å
112S96.4Very high93.2Very high15 Ų1546.1 Ų46.111%0.10521%0.214CC..EExtended strand (participates in β ladder)trans-153.4166.7173.784.20000111.1L110 C124 S125 R194 A195L110-S112 WeakPolarHBondContact CD1-O 3.37Å; S112-C124 WeakPolarHBondContact O-CA 3.49Å; S112-S125 WeakPolarHBondContact CA-OG 3.47Å; S112-S125 VanDerWaalsContact CB-OG 3.31Å; S112-S125 WeakPolarHBondContact CB-OG 3.42Å; S112-S125 PolarHBondContact N-OG 2.9Å; S112-S125 PolarHBondContact O-N 3.13Å; S112-S125 PolarHBondContact O-OG 3.18Å; S112-S125 PolarHBondContact OG-OG 3.03Å; S112-R194 WeakPolarHBondContact OG-CA 3.44Å; S112-A195 PolarHBondContact OG-N 2.82Å
113V97.3Very high93.4Very high7 Ų745.3 Ų45.34%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-135.3142.5171.9-175.90000108.8H63 L82 L90 L110 F122 M123H63-V113 HydrophobicContact CB-CB 3.96Å; H63-V113 HydrophobicContact CB-CG2 3.72Å; H63-V113 PolarHBondContact CE1-O 2.86Å; H63-V113 PolarHBondContact ND1-O 2.9Å; L82-V113 HydrophobicContact CD2-CG1 3.96Å; L90-V113 HydrophobicContact CD2-CG1 4.35Å; L90-V113 HydrophobicContact CD2-CG2 3.58Å; L110-V113 HydrophobicContact CD1-CG2 3.86Å; L110-V113 HydrophobicContact CD2-CG2 3.79Å; L110-V113 HydrophobicContact CG-CG2 4.22Å; V113-F122 HydrophobicContact CG1-CB 4.08Å; V113-F122 HydrophobicContact CG1-CD2 3.79Å; V113-F122 HydrophobicContact CG1-CG 4.28Å; V113-M123 CarbonylContact C-O 3.57Å; V113-M123 WeakPolarHBondContact CA-O 3.37Å
114S95.2Very high93.7Very high15 Ų1540.5 Ų40.511%0.10519%0.189CC..EExtended strand (participates in β ladder)trans-131.2130.3173.5-175.20000110.4F122 M123 A195 W197S114-F122 CarbonylContact O-C 3.45Å; S114-F122 VanDerWaalsContact O-CA 3.29Å; S114-F122 WeakPolarHBondContact O-CA 3.43Å; S114-M123 PolarHBondContact N-O 2.81Å; S114-M123 PolarHBondContact O-N 2.98Å; S114-A195 VanDerWaalsContact CB-O 3.27Å; S114-A195 WeakPolarHBondContact CB-O 3.48Å; S114-W197 PolarHBondContact OG-N 2.82Å
115W93.4Very high93.8Very high28 Ų2840.3 Ų40.311%0.10619%0.189CC..EExtended strand (participates in β ladder)trans-77.3142.5175.1-77.5105.4000111S65 E66 C67 P68 L82 L92 F122 L136S65-W115 VanDerWaalsContact OG-CD1 3.28Å; S65-W115 PolarHBondContact OG-NE1 2.87Å; E66-W115 PolarHBondContact O-NE1 3.11Å; C67-W115 HydrophobicContact CB-CH2 3.91Å; C67-W115 HydrophobicContact CB-CZ2 3.93Å; P68-W115 HydrophobicContact CG-CB 3.75Å; P68-W115 HydrophobicContact CG-CD2 4.3Å; P68-W115 HydrophobicContact CG-CG 3.87Å; L82-W115 HydrophobicContact CB-CH2 4.42Å; L82-W115 HydrophobicContact CB-CZ2 3.54Å; L82-W115 HydrophobicContact CD2-CH2 4.16Å; L82-W115 HydrophobicContact CD2-CZ2 3.59Å; L82-W115 HydrophobicContact CG-CZ2 4.14Å; L92-W115 HydrophobicContact CD1-CH2 4.26Å; W115-F122 HydrophobicContact CD2-CB 4.12Å; W115-F122 HydrophobicContact CE3-CB 3.82Å; W115-F122 HydrophobicContact CE3-CD1 4.33Å; W115-F122 HydrophobicContact CH2-CD1 4.22Å; W115-F122 HydrophobicContact CZ3-CB 4.24Å; W115-F122 AromaticContact CZ3-CD1 3.87Å; W115-F122 HydrophobicContact CZ3-CD1 3.87Å; W115-F122 HydrophobicContact CZ3-CG 4.5Å; W115-L136 HydrophobicContact CH2-CD2 4.19Å; W115-L136 HydrophobicContact CZ3-CD1 4.34Å; W115-L136 HydrophobicContact CZ3-CD2 4.21Å; W115-L136 HydrophobicContact CZ3-CG 4.48Å
116H91.6Very high93.9Very high22 Ų2236.1 Ų36.110%0.10217%0.169CC..  trans-72.6137.3157-178.9-87.7000109G118 G119 Q121 W197 Q205H116-G118 PolarHBondContact ND1-N 2.95Å; H116-G118 VanDerWaalsContact ND1-N 3.13Å; H116-G118 PolarHBondContact O-N 3.26Å; H116-G119 PolarHBondContact O-N 2.99Å; H116-Q121 HydrophobicContact CB-CB 4.18Å; H116-Q121 WeakPolarHBondContact CB-O 3.23Å; H116-Q121 PolarHBondContact N-O 2.87Å; H116-W197 HydrophobicContact CB-CD2 4.31Å; H116-W197 HydrophobicContact CB-CE3 3.85Å; H116-W197 HydrophobicContact CB-CH2 4.17Å; H116-W197 HydrophobicContact CB-CZ3 3.79Å; H116-W197 AromaticContact CD2-CE2 3.69Å; H116-W197 AromaticContact CD2-CH2 3.93Å; H116-W197 AromaticContact CD2-CZ2 3.58Å; H116-Q205 PolarHBondContact NE2-NE2 3.41Å; H116-Q205 VanDerWaalsContact NE2-NE2 3.17Å
117Y84.3Confident93.9Very high68 Ų6837.8 Ų37.827%0.26718%0.179SC..THydrogen-bonded Turntrans-51.8-35.8-175.378.1-79.6000114.1P68 G119 S199 E255 E256P68-Y117 WeakPolarHBondContact CB-O 3.3Å; Y117-G119 PolarHBondContact O-N 3.37Å; Y117-G119 VanDerWaalsContact O-N 3.08Å; Y117-S199 WeakPolarHBondContact CD1-OG 3.36Å; Y117-S199 WeakPolarHBondContact CE1-OG 3.28Å; Y117-E255 WeakPolarHBondContact CB-O 3.41Å; Y117-E256 HydrophobicContact CD2-CG 4.21Å; Y117-E256 HydrophobicContact CE2-CG 3.7Å
118G85.6Confident94Very high30 Ų3034.3 Ų34.331%0.30916%0.162SC..THydrogen-bonded Turntrans-68-2.5176.400000115.6H116 R120H116-G118 PolarHBondContact ND1-N 2.95Å; H116-G118 VanDerWaalsContact ND1-N 3.13Å; H116-G118 PolarHBondContact O-N 3.26Å; G118-R120 PolarHBondContact O-N 3.11Å; G118-R120 VanDerWaalsContact O-N 3.09Å
119G87.3Confident93.9Very high0 Ų031.4 Ų31.40%015%0.147CC..SBendtrans6513174.600000115.7C67 H116 Y117 L136C67-G119 PolarHBondContact SG-O 3.3Å; H116-G119 PolarHBondContact O-N 2.99Å; Y117-G119 PolarHBondContact O-N 3.37Å; Y117-G119 VanDerWaalsContact O-N 3.08Å; G119-L136 WeakPolarHBondContact O-CD1 3.2Å
120R89.7Confident93.9Very high137 Ų13726.5 Ų26.552%0.51713%0.126SC..SBendtrans-102.9-13.5-179.3-66.4-176.6-172164.311114.2G118 S135 L136G118-R120 PolarHBondContact O-N 3.11Å; G118-R120 VanDerWaalsContact O-N 3.09Å; R120-S135 WeakPolarHBondContact O-CA 3.32Å; R120-S135 PolarHBondContact O-OG 2.94Å; R120-L136 PolarHBondContact O-N 2.89Å
121Q93.9Very high93.8Very high57 Ų5726.7 Ų26.727%0.26613%0.127SC..EExtended strand (participates in β ladder)trans-142.5152.9-177.5-70.9179.9-37.400109.4H116 W134 W197H116-Q121 HydrophobicContact CB-CB 4.18Å; H116-Q121 WeakPolarHBondContact CB-O 3.23Å; H116-Q121 PolarHBondContact N-O 2.87Å; Q121-W134 WeakPolarHBondContact CA-O 3.14Å; Q121-W134 VanDerWaalsContact CB-O 3.29Å; Q121-W134 WeakPolarHBondContact CB-O 3.25Å; Q121-W134 WeakPolarHBondContact CG-O 3.21Å; Q121-W197 HydrophobicContact CB-CH2 4.3Å; Q121-W197 HydrophobicContact CB-CZ3 4.1Å
122F96.1Very high93.9Very high0 Ų022.3 Ų22.30%011%0.111CC..EExtended strand (participates in β ladder)trans-143.9154.9172.159.9-92.6000109.1L82 L90 Y104 V113 S114 W115 W134 L136L82-F122 HydrophobicContact CD1-CZ 4.48Å; L82-F122 HydrophobicContact CD2-CB 4.47Å; L82-F122 HydrophobicContact CD2-CD1 4.16Å; L82-F122 HydrophobicContact CD2-CD2 4.17Å; L82-F122 HydrophobicContact CD2-CE1 4.47Å; L82-F122 HydrophobicContact CD2-CE2 4.47Å; L82-F122 HydrophobicContact CD2-CG 4.01Å; L90-F122 HydrophobicContact CD2-CD2 4.34Å; L90-F122 HydrophobicContact CD2-CE2 3.79Å; Y104-F122 HydrophobicContact CD1-CE1 4.45Å; Y104-F122 AromaticContact CD1-CZ 3.97Å; Y104-F122 HydrophobicContact CD1-CZ 3.97Å; Y104-F122 HydrophobicContact CD2-CE1 4.15Å; Y104-F122 AromaticContact CD2-CZ 3.65Å; Y104-F122 HydrophobicContact CD2-CZ 3.65Å; Y104-F122 HydrophobicContact CE1-CE1 4.22Å; Y104-F122 HydrophobicContact CE1-CZ 4.21Å; Y104-F122 AromaticContact CE2-CE1 3.95Å; Y104-F122 HydrophobicContact CE2-CE1 3.95Å; Y104-F122 AromaticContact CE2-CZ 3.94Å; Y104-F122 HydrophobicContact CE2-CZ 3.94Å; Y104-F122 HydrophobicContact CG-CE1 4.42Å; Y104-F122 AromaticContact CG-CZ 3.69Å; Y104-F122 HydrophobicContact CG-CZ 3.69Å; Y104-F122 AromaticContact CZ-CE1 3.99Å; V113-F122 HydrophobicContact CG1-CB 4.08Å; V113-F122 HydrophobicContact CG1-CD2 3.79Å; V113-F122 HydrophobicContact CG1-CG 4.28Å; S114-F122 CarbonylContact O-C 3.45Å; S114-F122 VanDerWaalsContact O-CA 3.29Å; S114-F122 WeakPolarHBondContact O-CA 3.43Å; W115-F122 HydrophobicContact CD2-CB 4.12Å; W115-F122 HydrophobicContact CE3-CB 3.82Å; W115-F122 HydrophobicContact CE3-CD1 4.33Å; W115-F122 HydrophobicContact CH2-CD1 4.22Å; W115-F122 HydrophobicContact CZ3-CB 4.24Å; W115-F122 AromaticContact CZ3-CD1 3.87Å; W115-F122 HydrophobicContact CZ3-CD1 3.87Å; W115-F122 HydrophobicContact CZ3-CG 4.5Å; F122-W134 HydrophobicContact CD1-CB 4.29Å; F122-W134 HydrophobicContact CD2-CB 4.09Å; F122-W134 HydrophobicContact CE1-CB 3.77Å; F122-W134 HydrophobicContact CE2-CB 3.54Å; F122-W134 AromaticContact CE2-CD1 3.5Å; F122-W134 AromaticContact CE2-CG 3.71Å; F122-W134 HydrophobicContact CE2-CG 3.71Å; F122-W134 HydrophobicContact CG-CB 4.44Å; F122-W134 HydrophobicContact CZ-CB 3.36Å; F122-W134 AromaticContact CZ-CG 3.77Å; F122-W134 HydrophobicContact CZ-CG 3.77Å; F122-W134 PolarHBondContact N-O 2.9Å; F122-W134 VanDerWaalsContact N-O 3.14Å; F122-W134 PolarHBondContact O-N 2.87Å; F122-L136 HydrophobicContact CD1-CD2 4.25Å; F122-L136 HydrophobicContact CE1-CD2 3.99Å
123M97.3Very high93.9Very high6 Ų622.2 Ų22.23%0.0311%0.109CC..EExtended strand (participates in β ladder)trans-116.9134.5-177.1-172.7-177.9-45.700109.9V113 S114 L131 M132 W197 I207V113-M123 CarbonylContact C-O 3.57Å; V113-M123 WeakPolarHBondContact CA-O 3.37Å; S114-M123 PolarHBondContact N-O 2.81Å; S114-M123 PolarHBondContact O-N 2.98Å; M123-L131 HydrophobicContact CG-CB 4.36Å; M123-L131 HydrophobicContact SD-CB 4.2Å; M123-L131 HydrophobicContact SD-CD1 3.89Å; M123-L131 HydrophobicContact SD-CD2 4.24Å; M123-L131 HydrophobicContact SD-CG 4.34Å; M123-M132 CarbonylContact C-O 3.58Å; M123-M132 WeakPolarHBondContact CA-O 3.28Å; M123-W197 HydrophobicContact CB-CE3 4.01Å; M123-W197 HydrophobicContact CB-CZ3 4.48Å; M123-W197 HydrophobicContact CE-CB 3.88Å; M123-W197 HydrophobicContact CE-CD2 3.4Å; M123-W197 VanDerWaalsContact CE-CD2 3.4Å; M123-W197 HydrophobicContact CE-CE3 3.4Å; M123-W197 VanDerWaalsContact CE-CE3 3.4Å; M123-W197 HydrophobicContact CE-CG 3.64Å; M123-W197 HydrophobicContact CE-CZ3 4.03Å; M123-I207 HydrophobicContact CE-CD1 3.5Å; M123-I207 HydrophobicContact CE-CG1 3.82Å; M123-I207 HydrophobicContact SD-CD1 3.85Å; M123-I207 HydrophobicContact SD-CG1 4.26Å; M123-I207 HydrophobicContact SD-CG2 4.08Å
124C98.2Very high93.9Very high0 Ų022.1 Ų22.10%011%0.108CC..EExtended strand (participates in β ladder)trans-109.9130.3179.4-59.90000109.6L110 S112 L126 L131 M132L110-C124 HydrophobicContact CD1-CB 3.65Å; S112-C124 WeakPolarHBondContact O-CA 3.49Å; C124-L126 HydrophobicContact CB-CD2 4.3Å; C124-L131 WeakPolarHBondContact O-CA 3.45Å; C124-M132 HydrophobicContact CB-CB 4.41Å; C124-M132 PolarHBondContact N-O 2.78Å; C124-M132 PolarHBondContact O-N 2.91Å
125S97.6Very high93.8Very high0 Ų022.3 Ų22.30%011%0.11CC..EExtended strand (participates in β ladder)trans-93.8138.816763.50000109.9R111 S112 I192R111-S125 PolarHBondContact N-O 2.91Å; S112-S125 WeakPolarHBondContact CA-OG 3.47Å; S112-S125 VanDerWaalsContact CB-OG 3.31Å; S112-S125 WeakPolarHBondContact CB-OG 3.42Å; S112-S125 PolarHBondContact N-OG 2.9Å; S112-S125 PolarHBondContact O-N 3.13Å; S112-S125 PolarHBondContact O-OG 3.18Å; S112-S125 PolarHBondContact OG-OG 3.03Å; S125-I192 WeakPolarHBondContact CB-O 3.38Å; S125-I192 PolarHBondContact OG-O 3.09Å
126L97.4Very high93.7Very high0 Ų022 Ų220%011%0.11CC..EExtended strand (participates in β ladder)trans-124.6157.6-169.3-57.3-178.2000112.4C106 M107 N108 K109 L110 C124 N128 G129 S130 M132 I192C106-L126 HydrophobicContact CB-CD1 4.29Å; C106-L126 HydrophobicContact CB-CD2 3.73Å; M107-L126 HydrophobicContact CG-CD1 3.84Å; M107-L126 HydrophobicContact SD-CD1 4.5Å; N108-L126 HydrophobicContact CB-CB 4.43Å; N108-L126 HydrophobicContact CB-CD1 4.47Å; K109-L126 WeakPolarHBondContact O-CA 3.39Å; L110-L126 HydrophobicContact CD1-CD2 4.09Å; C124-L126 HydrophobicContact CB-CD2 4.3Å; L126-N128 WeakPolarHBondContact CB-OD1 3.33Å; L126-N128 PolarHBondContact O-N 2.89Å; L126-G129 PolarHBondContact O-N 2.81Å; L126-G129 VanDerWaalsContact O-N 3.11Å; L126-S130 PolarHBondContact N-O 3.4Å; L126-S130 VanDerWaalsContact N-O 3.11Å; L126-M132 HydrophobicContact CD1-CB 4.11Å; L126-M132 HydrophobicContact CD1-CE 4.08Å; L126-M132 HydrophobicContact CD1-SD 4.42Å; L126-I192 PolarHBondContact O-N 2.97Å
127V95.2Very high93.5Very high40 Ų4031.3 Ų31.324%0.24214%0.144CC..THydrogen-bonded Turntrans-63-21.5-177.768.80000114.6N108 K109 G129 P191N108-V127 HydrophobicContact CB-CG1 4.11Å; K109-V127 HydrophobicContact CB-CB 4.19Å; K109-V127 HydrophobicContact CB-CG1 3.81Å; K109-V127 PolarHBondContact O-N 3Å; V127-G129 VanDerWaalsContact C-N 3.31Å; V127-P191 HydrophobicContact CG2-CB 4.45Å; V127-P191 HydrophobicContact CG2-CG 3.99Å; V127-P191 WeakPolarHBondContact O-CA 3.46Å; V127-P191 WeakPolarHBondContact O-CG 3.42Å
128N93.1Very high93.6Very high30 Ų3031.9 Ų31.916%0.1615%0.148CC..THydrogen-bonded Turntrans-88.78.7178.265.8-32.1000113.3M107 N108 L126 S130 F147 Y189M107-N128 WeakPolarHBondContact CE-ND2 3.26Å; N108-N128 WeakPolarHBondContact ND2-CB 3.42Å; N108-N128 PolarHBondContact ND2-ND2 2.99Å; N108-N128 VanDerWaalsContact ND2-ND2 3.13Å; L126-N128 WeakPolarHBondContact CB-OD1 3.33Å; L126-N128 PolarHBondContact O-N 2.89Å; N128-S130 PolarHBondContact ND2-OG 2.87Å; N128-S130 VanDerWaalsContact ND2-OG 3.17Å; N128-S130 PolarHBondContact OD1-OG 2.9Å; N128-F147 WeakPolarHBondContact O-CE1 3.28Å; N128-Y189 WeakPolarHBondContact O-CB 3.48Å
129G92.9Very high93.8Very high1 Ų133.2 Ų33.21%0.0115%0.15CC..SBendtrans81.613.3177.500000115.6L126 V127 R190 I192L126-G129 PolarHBondContact O-N 2.81Å; L126-G129 VanDerWaalsContact O-N 3.11Å; V127-G129 VanDerWaalsContact C-N 3.31Å; G129-R190 WeakPolarHBondContact CA-O 3.07Å; G129-R190 PolarHBondContact N-O 3.16Å; G129-I192 VanDerWaalsContact O-CD1 3.28Å; G129-I192 WeakPolarHBondContact O-CD1 3.47Å
130S95.1Very high93.9Very high0 Ų042.2 Ų42.20%019%0.192CC..  trans-101.3152.6176.460.50000113.1L126 N128 V146L126-S130 PolarHBondContact N-O 3.4Å; L126-S130 VanDerWaalsContact N-O 3.11Å; N128-S130 PolarHBondContact ND2-OG 2.87Å; N128-S130 VanDerWaalsContact ND2-OG 3.17Å; N128-S130 PolarHBondContact OD1-OG 2.9Å; S130-V146 CarbonylContact C-O 3.56Å; S130-V146 VanDerWaalsContact CA-O 3.26Å; S130-V146 WeakPolarHBondContact CA-O 3.32Å; S130-V146 WeakPolarHBondContact CB-O 3.4Å
131L96.6Very high94Very high6 Ų640.9 Ų40.93%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-102132.3165.8-62.6177.8000109.3M123 C124 V145 V146 P148 I192 A195 I207 F209M123-L131 HydrophobicContact CG-CB 4.36Å; M123-L131 HydrophobicContact SD-CB 4.2Å; M123-L131 HydrophobicContact SD-CD1 3.89Å; M123-L131 HydrophobicContact SD-CD2 4.24Å; M123-L131 HydrophobicContact SD-CG 4.34Å; C124-L131 WeakPolarHBondContact O-CA 3.45Å; L131-V145 WeakPolarHBondContact O-CA 3.44Å; L131-V146 PolarHBondContact N-O 2.78Å; L131-V146 PolarHBondContact O-N 2.7Å; L131-P148 HydrophobicContact CD1-CG 3.59Å; L131-P148 HydrophobicContact CG-CG 3.88Å; L131-I192 HydrophobicContact CD2-CD1 3.7Å; L131-I192 HydrophobicContact CD2-CG2 4.17Å; L131-I192 HydrophobicContact CG-CD1 3.76Å; L131-A195 HydrophobicContact CD2-CB 3.7Å; L131-I207 HydrophobicContact CD1-CD1 4.36Å; L131-I207 HydrophobicContact CD1-CG2 4.05Å; L131-F209 HydrophobicContact CD1-CD1 4.43Å
132M96.9Very high94.1Very high7 Ų739.9 Ų39.93%0.03419%0.19CC..EExtended strand (participates in β ladder)trans-125.3119.6-179177.9177.7-73.800110.4C106 M107 M123 C124 L126 W134 P142 E144 V145C106-M132 HydrophobicContact CB-SD 4.01Å; M107-M132 HydrophobicContact CB-CE 4.01Å; M107-M132 HydrophobicContact CG-CE 3.59Å; M107-M132 HydrophobicContact SD-CE 3.73Å; M123-M132 CarbonylContact C-O 3.58Å; M123-M132 WeakPolarHBondContact CA-O 3.28Å; C124-M132 HydrophobicContact CB-CB 4.41Å; C124-M132 PolarHBondContact N-O 2.78Å; C124-M132 PolarHBondContact O-N 2.91Å; L126-M132 HydrophobicContact CD1-CB 4.11Å; L126-M132 HydrophobicContact CD1-CE 4.08Å; L126-M132 HydrophobicContact CD1-SD 4.42Å; M132-W134 HydrophobicContact CG-CZ2 4.48Å; M132-W134 HydrophobicContact SD-CZ2 3.64Å; M132-W134 PolarHBondContact SD-NE1 3.18Å; M132-P142 HydrophobicContact CE-CG 4.4Å; M132-P142 HydrophobicContact CG-CB 3.76Å; M132-P142 HydrophobicContact CG-CG 4.35Å; M132-P142 HydrophobicContact SD-CB 4.26Å; M132-P142 HydrophobicContact SD-CG 4.41Å; M132-E144 WeakPolarHBondContact CA-O 3.4Å; M132-V145 HydrophobicContact CE-CG1 4.38Å; M132-V145 HydrophobicContact CE-CG2 3.71Å; M132-V145 HydrophobicContact CG-CG2 4.12Å
133T97.2Very high94Very high12 Ų1243.2 Ų43.27%0.07421%0.211CC..EExtended strand (participates in β ladder)trans-101131.4-177.2-58.20000110.8P142 V143 E144 W197T133-P142 WeakPolarHBondContact O-CB 3.32Å; T133-V143 HydrophobicContact CG2-CB 4.4Å; T133-V143 PolarHBondContact O-N 3.32Å; T133-E144 PolarHBondContact N-O 2.85Å; T133-E144 PolarHBondContact O-N 2.79Å; T133-W197 HydrophobicContact CG2-CH2 4.06Å; T133-W197 HydrophobicContact CG2-CZ3 3.9Å
134W97.1Very high93.8Very high6 Ų648.3 Ų48.32%0.02323%0.234CC..EExtended strand (participates in β ladder)trans-115.4152.6178.3-7095.7000111.5Y104 Q105 Q121 F122 M132 P142Y104-W134 HydrophobicContact CD1-CB 4.25Å; Y104-W134 AromaticContact CD1-CD2 3.9Å; Y104-W134 HydrophobicContact CD1-CD2 3.9Å; Y104-W134 AromaticContact CD1-CE3 3.56Å; Y104-W134 HydrophobicContact CD1-CE3 3.56Å; Y104-W134 HydrophobicContact CD1-CG 4.21Å; Y104-W134 HydrophobicContact CD1-CZ3 4.18Å; Y104-W134 HydrophobicContact CE1-CE3 4.44Å; Y104-W134 HydrophobicContact CG-CD2 4.37Å; Y104-W134 HydrophobicContact CG-CE3 4.36Å; Q105-W134 VanDerWaalsContact O-CZ2 3.23Å; Q105-W134 WeakPolarHBondContact O-CZ2 3.09Å; Q121-W134 WeakPolarHBondContact CA-O 3.14Å; Q121-W134 VanDerWaalsContact CB-O 3.29Å; Q121-W134 WeakPolarHBondContact CB-O 3.25Å; Q121-W134 WeakPolarHBondContact CG-O 3.21Å; F122-W134 HydrophobicContact CD1-CB 4.29Å; F122-W134 HydrophobicContact CD2-CB 4.09Å; F122-W134 HydrophobicContact CE1-CB 3.77Å; F122-W134 HydrophobicContact CE2-CB 3.54Å; F122-W134 AromaticContact CE2-CD1 3.5Å; F122-W134 AromaticContact CE2-CG 3.71Å; F122-W134 HydrophobicContact CE2-CG 3.71Å; F122-W134 HydrophobicContact CG-CB 4.44Å; F122-W134 HydrophobicContact CZ-CB 3.36Å; F122-W134 AromaticContact CZ-CG 3.77Å; F122-W134 HydrophobicContact CZ-CG 3.77Å; F122-W134 PolarHBondContact N-O 2.9Å; F122-W134 VanDerWaalsContact N-O 3.14Å; F122-W134 PolarHBondContact O-N 2.87Å; M132-W134 HydrophobicContact CG-CZ2 4.48Å; M132-W134 HydrophobicContact SD-CZ2 3.64Å; M132-W134 PolarHBondContact SD-NE1 3.18Å; W134-P142 HydrophobicContact CD2-CB 4.27Å; W134-P142 HydrophobicContact CE3-CB 4.36Å; W134-P142 HydrophobicContact CH2-CB 4.3Å; W134-P142 HydrophobicContact CZ2-CB 4.16Å; W134-P142 HydrophobicContact CZ3-CB 4.4Å
135S93.8Very high93.6Very high19 Ų1951.2 Ų51.213%0.13325%0.252CS..EExtended strand (participates in β ladder)trans-117.8140.3170.1179.90000110.1R120 R137 K138R120-S135 WeakPolarHBondContact O-CA 3.32Å; R120-S135 PolarHBondContact O-OG 2.94Å; S135-R137 PolarHBondContact O-N 2.84Å; S135-R137 PolarHBondContact OG-N 3.47Å; S135-K138 CarbonylContact O-C 3.35Å; S135-K138 PolarHBondContact O-N 2.89Å; S135-K138 VanDerWaalsContact O-O 3.05Å
136L89.9Confident93.4Very high21 Ų2153.6 Ų53.611%0.1127%0.266CS..THydrogen-bonded Turntrans-60.6-19.1176.9-61.9-172.1000113.9F77 L92 Y104 W115 G119 R120 F122F77-L136 HydrophobicContact CD1-CD1 3.82Å; F77-L136 HydrophobicContact CE1-CB 4.48Å; F77-L136 HydrophobicContact CE1-CD1 3.61Å; F77-L136 HydrophobicContact CZ-CD1 4.27Å; L92-L136 HydrophobicContact CD2-CD2 3.77Å; Y104-L136 WeakPolarHBondContact OH-CA 3.37Å; Y104-L136 WeakPolarHBondContact OH-CD2 3.22Å; W115-L136 HydrophobicContact CH2-CD2 4.19Å; W115-L136 HydrophobicContact CZ3-CD1 4.34Å; W115-L136 HydrophobicContact CZ3-CD2 4.21Å; W115-L136 HydrophobicContact CZ3-CG 4.48Å; G119-L136 WeakPolarHBondContact O-CD1 3.2Å; R120-L136 PolarHBondContact O-N 2.89Å; F122-L136 HydrophobicContact CD1-CD2 4.25Å; F122-L136 HydrophobicContact CE1-CD2 3.99Å
137R87.6Confident93.2Very high218 Ų21856.8 Ų56.882%0.82328%0.28SS*.THydrogen-bonded Turntrans-86-15.1176.6-64.6-177.6179.1178.9-2113.5S135S135-R137 PolarHBondContact O-N 2.84Å; S135-R137 PolarHBondContact OG-N 3.47Å
138K88Confident92.9Very high80 Ų8055.6 Ų55.635%0.34827%0.274SS..BIsolated β-bridgetrans-13293.7-170.2-162.3-171.8-164.2-159.60109.3S135 E141S135-K138 CarbonylContact O-C 3.35Å; S135-K138 PolarHBondContact O-N 2.89Å; S135-K138 VanDerWaalsContact O-O 3.05Å; K138-E141 HydrophobicContact CD-CG 4.01Å; K138-E141 VanDerWaalsContact CE-CD 3.5Å; K138-E141 WeakPolarHBondContact CE-OE1 3.2Å; K138-E141 HydrophobicContact CG-CG 4.34Å; K138-E141 VanDerWaalsContact NZ-CG 3.27Å; K138-E141 IonicContact NZ-OE1 2.51Å; K138-E141 PolarHBondContact NZ-OE1 3.02Å
139T88.5Confident92.7Very high57 Ų5754.3 Ų54.335%0.3527%0.266SS..  trans-93.9-21.3-176.554.10000113.3Y104Y104-T139 HydrophobicContact CD1-CG2 4.29Å; Y104-T139 HydrophobicContact CE1-CG2 3.66Å
140Q89.9Confident92.1Very high190 Ų19056.5 Ų56.589%0.88828%0.282SS*.SBendtrans-77.3-34.1-174.8-68.3-176.6-11.100113.4
141E92.2Very high91Very high109 Ų10963.6 Ų63.651%0.50932%0.319SS..SBendtrans-145.9149-179.562.8175.817800110.6K138K138-E141 HydrophobicContact CD-CG 4.01Å; K138-E141 VanDerWaalsContact CE-CD 3.5Å; K138-E141 WeakPolarHBondContact CE-OE1 3.2Å; K138-E141 HydrophobicContact CG-CG 4.34Å; K138-E141 VanDerWaalsContact NZ-CG 3.27Å; K138-E141 IonicContact NZ-OE1 2.51Å; K138-E141 PolarHBondContact NZ-OE1 3.02Å
142P94.9Very high89.6Confident36 Ų3665.1 Ų65.123%0.23433%0.327CS..  trans-65.2159.3178.227.4-34.2000111.5M132 T133 W134 V145M132-P142 HydrophobicContact CE-CG 4.4Å; M132-P142 HydrophobicContact CG-CB 3.76Å; M132-P142 HydrophobicContact CG-CG 4.35Å; M132-P142 HydrophobicContact SD-CB 4.26Å; M132-P142 HydrophobicContact SD-CG 4.41Å; T133-P142 WeakPolarHBondContact O-CB 3.32Å; W134-P142 HydrophobicContact CD2-CB 4.27Å; W134-P142 HydrophobicContact CE3-CB 4.36Å; W134-P142 HydrophobicContact CH2-CB 4.3Å; W134-P142 HydrophobicContact CZ2-CB 4.16Å; W134-P142 HydrophobicContact CZ3-CB 4.4Å; P142-V145 HydrophobicContact CB-CG2 4.18Å; P142-V145 HydrophobicContact CG-CG2 3.68Å
143V94Very high87.6Confident70 Ų7071.6 Ų71.642%0.42436%0.357SS..SBendtrans-72.6-42.6172.1178.90000109.9T133T133-V143 HydrophobicContact CG2-CB 4.4Å; T133-V143 PolarHBondContact O-N 3.32Å
144E94Very high85.2Confident113 Ų11376 Ų7653%0.52839%0.388SS..EExtended strand (participates in β ladder)trans-153.8146.4-176.2-161-177.7-170.200110.4M132 T133 V146M132-E144 WeakPolarHBondContact CA-O 3.4Å; T133-E144 PolarHBondContact N-O 2.85Å; T133-E144 PolarHBondContact O-N 2.79Å; E144-V146 VanDerWaalsContact CD-CG2 3.43Å; E144-V146 HydrophobicContact CG-CG2 3.6Å; E144-V146 VanDerWaalsContact OE1-CG2 3.28Å; E144-V146 WeakPolarHBondContact OE1-CG2 3.38Å
145V94.5Very high82.4Confident61 Ų6179.8 Ų79.837%0.3742%0.416SS..EExtended strand (participates in β ladder)trans-131.6119.4169.9-1750000107.7M107 L131 M132 P142M107-V145 HydrophobicContact SD-CG1 4.08Å; L131-V145 WeakPolarHBondContact O-CA 3.44Å; M132-V145 HydrophobicContact CE-CG1 4.38Å; M132-V145 HydrophobicContact CE-CG2 3.71Å; M132-V145 HydrophobicContact CG-CG2 4.12Å; P142-V145 HydrophobicContact CB-CG2 4.18Å; P142-V145 HydrophobicContact CG-CG2 3.68Å
146V93.6Very high79.9Confident49 Ų4983 Ų8330%0.29744%0.438SS..EExtended strand (participates in β ladder)trans-126.4142.4-174.9-172.20000109.9S130 L131 E144 P148S130-V146 CarbonylContact C-O 3.56Å; S130-V146 VanDerWaalsContact CA-O 3.26Å; S130-V146 WeakPolarHBondContact CA-O 3.32Å; S130-V146 WeakPolarHBondContact CB-O 3.4Å; L131-V146 PolarHBondContact N-O 2.78Å; L131-V146 PolarHBondContact O-N 2.7Å; E144-V146 VanDerWaalsContact CD-CG2 3.43Å; E144-V146 HydrophobicContact CG-CG2 3.6Å; E144-V146 VanDerWaalsContact OE1-CG2 3.28Å; E144-V146 WeakPolarHBondContact OE1-CG2 3.38Å; V146-P148 HydrophobicContact CG1-CG 4.45Å; V146-P148 WeakPolarHBondContact O-CD 3.44Å
147F92.2Very high77.6Confident67 Ų6786.3 Ų86.329%0.29446%0.455SS..  trans-104.391.9163.2-71.8-93.1000107.5N128 L149 S150 Y189N128-F147 WeakPolarHBondContact O-CE1 3.28Å; F147-L149 PolarHBondContact O-N 3.16Å; F147-S150 WeakPolarHBondContact O-CB 3.41Å; F147-S150 PolarHBondContact O-N 2.96Å; F147-S150 PolarHBondContact O-OG 3.22Å; F147-Y189 HydrophobicContact CB-CE2 4.47Å; F147-Y189 AromaticContact CD1-CD2 3.47Å; F147-Y189 HydrophobicContact CD1-CD2 3.47Å; F147-Y189 VanDerWaalsContact CD1-CD2 3.47Å; F147-Y189 AromaticContact CD1-CE2 3.7Å; F147-Y189 HydrophobicContact CD1-CE2 3.7Å; F147-Y189 HydrophobicContact CD1-CG 4.17Å; F147-Y189 AromaticContact CE1-CD2 3.81Å; F147-Y189 HydrophobicContact CE1-CD2 3.81Å; F147-Y189 HydrophobicContact CE1-CE2 4.21Å; F147-Y189 HydrophobicContact CG-CD2 4.43Å; F147-Y189 HydrophobicContact CG-CE2 4.25Å
148P89.4Confident74.9Confident16 Ų1684 Ų8410%0.10446%0.459CS..THydrogen-bonded Turntrans-58.3-30.2-165.6-27.736.7000114L131 V146 I192 F209 L227 L232L131-P148 HydrophobicContact CD1-CG 3.59Å; L131-P148 HydrophobicContact CG-CG 3.88Å; V146-P148 HydrophobicContact CG1-CG 4.45Å; V146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-I192 HydrophobicContact CG-CD1 4.4Å; P148-F209 HydrophobicContact CB-CE1 3.93Å; P148-F209 HydrophobicContact CB-CZ 3.63Å; P148-F209 HydrophobicContact CG-CE1 4.2Å; P148-F209 HydrophobicContact CG-CZ 4.07Å; P148-L227 HydrophobicContact CB-CD2 4.32Å; P148-L232 WeakPolarHBondContact O-CD1 3.24Å
149L87.5Confident72Confident2 Ų283 Ų831%0.0147%0.473CS..THydrogen-bonded Turntrans-102.517.5-176.7-62.1178.9000113.5F147 N151 M152 F209 T213 T225 L232 V234F147-L149 PolarHBondContact O-N 3.16Å; L149-N151 VanDerWaalsContact C-N 3.27Å; L149-N151 PolarHBondContact O-N 2.76Å; L149-M152 PolarHBondContact O-N 2.97Å; L149-F209 HydrophobicContact CD1-CE2 4.16Å; L149-F209 HydrophobicContact CD1-CZ 4.39Å; L149-F209 HydrophobicContact CG-CE2 4.4Å; L149-F209 HydrophobicContact CG-CZ 4.19Å; L149-T213 HydrophobicContact CD1-CG2 3.96Å; L149-T225 HydrophobicContact CD2-CG2 4.17Å; L149-L232 HydrophobicContact CD2-CD1 4.06Å; L149-L232 HydrophobicContact CD2-CD2 4.05Å; L149-V234 HydrophobicContact CD2-CG2 4.26Å
150S82.1Confident69.1Low47 Ų4790.1 Ų90.133%0.32950%0.502SS..THydrogen-bonded Turntrans-64.3-29-177.766.30000114.3F147 Y189F147-S150 WeakPolarHBondContact O-CB 3.41Å; F147-S150 PolarHBondContact O-N 2.96Å; F147-S150 PolarHBondContact O-OG 3.22Å; S150-Y189 WeakPolarHBondContact CA-OH 3.21Å; S150-Y189 WeakPolarHBondContact CB-OH 2.83Å
151N71.6Confident66.1Low149 Ų14986.2 Ų86.280%0.79750%0.496SS*.THydrogen-bonded Turntrans-94.37.7-175.4-61.9-7.2000113L149 E153L149-N151 VanDerWaalsContact C-N 3.27Å; L149-N151 PolarHBondContact O-N 2.76Å; N151-E153 PolarHBondContact O-N 3.3Å
152M67.7Low62.9Low39 Ų3988.9 Ų88.919%0.19251%0.513CS..  trans-76.4108.1-179.3-164.6-172.4-170.300109.9L149 L157 R220L149-M152 PolarHBondContact O-N 2.97Å; M152-L157 HydrophobicContact CE-CD1 3.5Å; M152-L157 VanDerWaalsContact CE-CD1 3.5Å; M152-R220 PolarHBondContact SD-NH1 3.45Å
153E54.4Low59.8Low143 Ų14392.4 Ų92.467%0.66855%0.545SS*.  trans-62.8137.4176.5-67.9-176.3171.100111.4N151 S155N151-E153 PolarHBondContact O-N 3.3Å; E153-S155 PolarHBondContact O-N 3.49Å; E153-S155 VanDerWaalsContact O-N 3.1Å
154S46.3Very low56.6Low104 Ų10492.2 Ų92.273%0.72756%0.558SS**THydrogen-bonded Turntrans-63.5-13-178.857.70000115.1
155S39.5Very low53.5Low86 Ų8695.3 Ų95.360%0.60158%0.576SS**THydrogen-bonded Turntrans-101-5.5-169.645.20000116.1E153 L157E153-S155 PolarHBondContact O-N 3.49Å; E153-S155 VanDerWaalsContact O-N 3.1Å; S155-L157 PolarHBondContact O-N 3.24Å
156S40.1Very low50.2Low85 Ų8598.3 Ų98.359%0.59459%0.594SS**THydrogen-bonded Turntrans-87.67.8-170.459.20000116.7
157L41Very low46.9Very low91 Ų91101.4 Ų101.448%0.47662%0.618SS.*THydrogen-bonded Turntrans-124.5-1.7-178.6-79.1156.1000115.7M152 S155 G159M152-L157 HydrophobicContact CE-CD1 3.5Å; M152-L157 VanDerWaalsContact CE-CD1 3.5Å; S155-L157 PolarHBondContact O-N 3.24Å; L157-G159 PolarHBondContact O-N 3.45Å
158N30.9Very low43.7Very low169 Ų169108 Ų10890%0.90465%0.646SS**  trans-93.981.1170.4-77.8-5.8000109.9
159G27.8Very low40.5Very low61 Ų61112 Ų11263%0.62968%0.681SS**  trans-176.991.6176.500000114.5L157 S161L157-G159 PolarHBondContact O-N 3.45Å; G159-S161 VanDerWaalsContact C-N 3.31Å; G159-S161 PolarHBondContact O-N 2.67Å
160Q27.7Very low37.4Very low206 Ų206115.4 Ų115.496%0.96372%0.717SS**  trans-53.195.5152.6-68.8172.9-3.600109.2
161S27Very low34.7Very low108 Ų108121.7 Ų121.776%0.75575%0.746SS**  trans-152.9121.7158.662.20000110.2G159G159-S161 VanDerWaalsContact C-N 3.31Å; G159-S161 PolarHBondContact O-N 2.67Å
162N25.7Very low32.4Very low165 Ų165119.6 Ų119.688%0.88274%0.743SS**  trans-35.3131.6-179.1-67.9-39.5000115.7
163A28.5Very low30.5Very low110 Ų110124.1 Ų124.191%0.90978%0.775SS**SBendtrans16.8103.6149.500000117.5
164G26.4Very low29.1Very low66 Ų66122.7 Ų122.768%0.6878%0.781SS**  trans17573.7167.900000112.8V166G164-V166 PolarHBondContact O-N 3.25Å; G164-V166 VanDerWaalsContact O-N 3.15Å
165I29.9Very low28Very low177 Ų177126.5 Ų126.591%0.90879%0.787SS**  trans-74.5102.4172.6-63.4173.8000107.9
166V24.7Very low27.1Very low124 Ų124131.7 Ų131.775%0.75280%0.802SS**  trans-88112.7167.3177.90000108.2G164 K168G164-V166 PolarHBondContact O-N 3.25Å; G164-V166 VanDerWaalsContact O-N 3.15Å; V166-K168 PolarHBondContact O-N 3.19Å
167S25.5Very low26.4Very low114 Ų114134.1 Ų134.180%0.79781%0.814SS**  trans-70.2101.8169.542.80000110.3
168K24.8Very low25.5Very low205 Ų205136.4 Ų136.489%0.89183%0.831SS**  trans-93.896.4168.5-112.6-179.4179.3178.60110.2V166V166-K168 PolarHBondContact O-N 3.19Å
169A22Very low25.2Very low100 Ų100133.8 Ų133.883%0.82683%0.826SS**  trans-77.6141.7161.600000110.2
170G22.2Very low25.1Very low75 Ų75134.4 Ų134.477%0.77383%0.833SS**  trans115.287.1158.500000115.7
171L24.5Very low25.2Very low178 Ų178134.6 Ų134.693%0.93283%0.83SS**  trans-135116.5146-85.7166.3000108.4
172S23.2Very low25.2Very low105 Ų105137.3 Ų137.373%0.73484%0.835SS**  trans-71.8153176.345.60000112S174S172-S174 PolarHBondContact O-N 3.03Å
173P27.9Very low25.2Very low135 Ų135135.3 Ų135.388%0.87783%0.832SS**  trans-84.5112.3-175.332.2-29.5000110.8
174S25.9Very low25.3Very low112 Ų112134.5 Ų134.578%0.78382%0.82SS**  trans-109.7110.9165.357.50000109.9S172S172-S174 PolarHBondContact O-N 3.03Å
175E23.6Very low25.8Very low184 Ų184137 Ų13786%0.8682%0.824SS**  trans24.2126.3147.6-65.4178.7163.300121.2
176E20.9Very low26.8Very low195 Ų195133.1 Ų133.191%0.91182%0.819SS**  trans-12.7120.8154.2-64.4175.4160.700117
177T23.9Very low28.6Very low137 Ų137131.5 Ų131.584%0.8480%0.803SS**  trans-137.9119.3147.8-130000109.7S179T177-S179 PolarHBondContact O-N 3.44Å
178T23.2Very low31.2Very low138 Ų138130 Ų13085%0.84779%0.791SS**  trans-67.4109.9173.930.20000110.9
179S24.4Very low34.2Very low115 Ų115121.8 Ų121.880%0.80476%0.755SS**  trans177124.8144.140.90000112.1T177T177-S179 PolarHBondContact O-N 3.44Å
180G26Very low37.4Very low74 Ų74120 Ų12076%0.76373%0.727SS**  trans72.552.314700000119.2I182G180-I182 VanDerWaalsContact C-N 3.33Å; G180-I182 PolarHBondContact O-N 3.45Å
181K29Very low40.7Very low209 Ų209118 Ų11891%0.90970%0.7SS**  trans-70.496155.5-93.1-178.2177.8176.80108.7C183K181-C183 PolarHBondContact O-N 3.44Å; K181-C183 VanDerWaalsContact O-N 3.08Å
182I27.4Very low44.1Very low165 Ų165109.5 Ų109.585%0.84666%0.656SS**  trans-46.1114.8157.3-67166.7000106.3G180 S184G180-I182 VanDerWaalsContact C-N 3.33Å; G180-I182 PolarHBondContact O-N 3.45Å; I182-S184 PolarHBondContact O-N 2.8Å
183C26.4Very low47.5Very low123 Ų123108.7 Ų108.783%0.83164%0.643SS**  trans-63103.5179-147.10000107.1K181K181-C183 PolarHBondContact O-N 3.44Å; K181-C183 VanDerWaalsContact O-N 3.08Å
184S29.2Very low50.7Low93 Ų93105.8 Ų105.865%0.6562%0.615SS**  trans-51.9137.8167.850.60000108.3I182 A186I182-S184 PolarHBondContact O-N 2.8Å; S184-A186 PolarHBondContact O-N 2.94Å
185P38.3Very low54Low120 Ų120100.6 Ų100.678%0.77958%0.579SS**  trans-53.8134.1-173.521.8-31.5000109.7Q187P185-Q187 PolarHBondContact O-N 2.86Å
186A49.9Very low57.4Low95 Ų9592.9 Ų92.979%0.78554%0.543SS*.  trans-43.8101.2-175.200000111S184 C188S184-A186 PolarHBondContact O-N 2.94Å; A186-C188 PolarHBondContact O-N 2.84Å; A186-C188 VanDerWaalsContact O-N 3.07Å
187Q62.5Low60.9Low89 Ų8984.9 Ų84.942%0.41651%0.505SS..  trans-67112.7-176.2-165.717327.200107.5P185 Y189 P214P185-Q187 PolarHBondContact O-N 2.86Å; Q187-Y189 HydrophobicContact CB-CE2 4.4Å; Q187-Y189 HydrophobicContact CG-CE1 4.31Å; Q187-Y189 WeakPolarHBondContact O-CD2 3.38Å; Q187-Y189 VanDerWaalsContact O-CE2 3.22Å; Q187-Y189 WeakPolarHBondContact O-CE2 3.45Å; Q187-Y189 PolarHBondContact OE1-OH 3.18Å; Q187-P214 HydrophobicContact CG-CB 4.03Å; Q187-P214 VanDerWaalsContact NE2-CB 3.34Å
188C80.1Confident64.1Low83 Ų8378.9 Ų78.956%0.56147%0.467SS*.  trans-76.8138.8174.3-67.40000108.4A186 F215A186-C188 PolarHBondContact O-N 2.84Å; A186-C188 VanDerWaalsContact O-N 3.07Å; C188-F215 HydrophobicContact CB-CB 4.33Å; C188-F215 HydrophobicContact CB-CD2 3.76Å; C188-F215 HydrophobicContact CB-CG 4.36Å; C188-F215 WeakPolarHBondContact O-CB 3.24Å; C188-F215 WeakPolarHBondContact O-CD2 3.38Å; C188-F215 PolarHBondContact O-N 2.84Å
189Y87.2Confident67.2Low32 Ų3272.5 Ų72.513%0.12543%0.428CS..BIsolated β-bridgetrans-111.1145.5175.4-57.9-87.3000110.1N128 F147 S150 Q187 P214 F215N128-Y189 WeakPolarHBondContact O-CB 3.48Å; F147-Y189 HydrophobicContact CB-CE2 4.47Å; F147-Y189 AromaticContact CD1-CD2 3.47Å; F147-Y189 HydrophobicContact CD1-CD2 3.47Å; F147-Y189 VanDerWaalsContact CD1-CD2 3.47Å; F147-Y189 AromaticContact CD1-CE2 3.7Å; F147-Y189 HydrophobicContact CD1-CE2 3.7Å; F147-Y189 HydrophobicContact CD1-CG 4.17Å; F147-Y189 AromaticContact CE1-CD2 3.81Å; F147-Y189 HydrophobicContact CE1-CD2 3.81Å; F147-Y189 HydrophobicContact CE1-CE2 4.21Å; F147-Y189 HydrophobicContact CG-CD2 4.43Å; F147-Y189 HydrophobicContact CG-CE2 4.25Å; S150-Y189 WeakPolarHBondContact CA-OH 3.21Å; S150-Y189 WeakPolarHBondContact CB-OH 2.83Å; Q187-Y189 HydrophobicContact CB-CE2 4.4Å; Q187-Y189 HydrophobicContact CG-CE1 4.31Å; Q187-Y189 WeakPolarHBondContact O-CD2 3.38Å; Q187-Y189 VanDerWaalsContact O-CE2 3.22Å; Q187-Y189 WeakPolarHBondContact O-CE2 3.45Å; Q187-Y189 PolarHBondContact OE1-OH 3.18Å; Y189-P214 HydrophobicContact CD1-CB 4.1Å; Y189-P214 HydrophobicContact CE1-CB 4.09Å; Y189-F215 VanDerWaalsContact C-CD2 3.5Å; Y189-F215 WeakPolarHBondContact O-CE2 3.48Å
190R90.1Very high70Confident63 Ų6368.1 Ų68.124%0.23840%0.395CS..  trans-64.5154.4170.4-67.2-171.6178.9-173.7-2.5109.7G129 G212 T213 F215 R220G129-R190 WeakPolarHBondContact CA-O 3.07Å; G129-R190 PolarHBondContact N-O 3.16Å; R190-G212 VanDerWaalsContact O-CA 3.31Å; R190-G212 WeakPolarHBondContact O-CA 3.47Å; R190-T213 WeakPolarHBondContact CB-O 3.48Å; R190-T213 PolarHBondContact N-O 2.92Å; R190-F215 HydrophobicContact CB-CE2 4.4Å; R190-F215 HydrophobicContact CG-CD1 4.33Å; R190-F215 HydrophobicContact CG-CD2 4.07Å; R190-F215 HydrophobicContact CG-CE1 4.14Å; R190-F215 HydrophobicContact CG-CE2 3.89Å; R190-F215 HydrophobicContact CG-CG 4.3Å; R190-F215 HydrophobicContact CG-CZ 3.92Å; R190-R220 PolarHBondContact NH1-O 2.82Å
191P92.1Very high72.5Confident32 Ų3271.5 Ų71.521%0.20839%0.389CS..  trans-52.7146.9174.5-25.434.1000112.5V127 G212V127-P191 HydrophobicContact CG2-CB 4.45Å; V127-P191 HydrophobicContact CG2-CG 3.99Å; V127-P191 WeakPolarHBondContact O-CA 3.46Å; V127-P191 WeakPolarHBondContact O-CG 3.42Å; P191-G212 PolarHBondContact O-N 3.16Å
192I95.5Very high75Confident0 Ų066.3 Ų66.30%037%0.371CS..EExtended strand (participates in β ladder)trans-91.2110.1158.5-66.5171.6000106R111 S125 L126 G129 L131 P148 A195 F209 S210R111-I192 WeakPolarHBondContact CB-O 3.19Å; R111-I192 WeakPolarHBondContact CG-O 3.44Å; S125-I192 WeakPolarHBondContact CB-O 3.38Å; S125-I192 PolarHBondContact OG-O 3.09Å; L126-I192 PolarHBondContact O-N 2.97Å; G129-I192 VanDerWaalsContact O-CD1 3.28Å; G129-I192 WeakPolarHBondContact O-CD1 3.47Å; L131-I192 HydrophobicContact CD2-CD1 3.7Å; L131-I192 HydrophobicContact CD2-CG2 4.17Å; L131-I192 HydrophobicContact CG-CD1 3.76Å; P148-I192 HydrophobicContact CG-CD1 4.4Å; I192-A195 HydrophobicContact CG2-CB 4.17Å; I192-F209 HydrophobicContact CD1-CD2 4.06Å; I192-F209 HydrophobicContact CD1-CE2 4.24Å; I192-F209 HydrophobicContact CG1-CD2 4.03Å; I192-F209 HydrophobicContact CG1-CE2 4.38Å; I192-F209 HydrophobicContact CG2-CB 3.8Å; I192-F209 HydrophobicContact CG2-CD2 4.03Å; I192-F209 HydrophobicContact CG2-CG 4.25Å; I192-S210 WeakPolarHBondContact CA-O 2.89Å
193D94Very high77.6Confident88 Ų8861.1 Ų61.147%0.47136%0.358SS..EExtended strand (participates in β ladder)trans-78.5-37.5-172.3-65.5-51.3000111.9S210D193-S210 PolarHBondContact N-O 3.37Å; D193-S210 VanDerWaalsContact N-O 3.14Å
194R94.7Very high80.5Confident75 Ų7560.7 Ų60.728%0.28334%0.344SS..EExtended strand (participates in β ladder)trans-146140.8175.2-173.4175.2-176138.5-2.2110.8S112 D196 F209 S210 D243 F244S112-R194 WeakPolarHBondContact OG-CA 3.44Å; R194-D196 IonicContact NE-OD1 2.75Å; R194-F209 CarbonylContact O-C 3.5Å; R194-F209 WeakPolarHBondContact O-CA 3.41Å; R194-F209 VanDerWaalsContact O-CB 3.26Å; R194-F209 WeakPolarHBondContact O-CB 3.28Å; R194-S210 PolarHBondContact N-OG 2.82Å; R194-S210 PolarHBondContact O-N 2.98Å; R194-D243 WeakPolarHBondContact CD-OD1 3.41Å; R194-D243 IonicContact CZ-OD1 3.72Å; R194-D243 IonicContact CZ-OD2 3.04Å; R194-D243 IonicContact NE-OD1 2.88Å; R194-D243 IonicContact NH1-OD1 3.04Å; R194-D243 PolarHBondContact NH1-OD1 3.13Å; R194-D243 IonicContact NH1-OD2 3.17Å; R194-D243 PolarHBondContact NH1-OD2 3.43Å; R194-F244 HydrophobicContact CB-CD1 4.41Å; R194-F244 HydrophobicContact CB-CE1 3.73Å; R194-F244 HydrophobicContact CB-CZ 4.32Å; R194-F244 HydrophobicContact CG-CD1 4.41Å; R194-F244 HydrophobicContact CG-CE1 3.69Å; R194-F244 HydrophobicContact CG-CZ 3.83Å; R194-F244 PolarHBondContact NE-O 2.72Å
195A96.2Very high83.4Confident3 Ų360.4 Ų60.43%0.02533%0.332CS..EExtended strand (participates in β ladder)trans-139.8132.4172.800000110.3S112 S114 L131 I192 V208 F209S112-A195 PolarHBondContact OG-N 2.82Å; S114-A195 VanDerWaalsContact CB-O 3.27Å; S114-A195 WeakPolarHBondContact CB-O 3.48Å; L131-A195 HydrophobicContact CD2-CB 3.7Å; I192-A195 HydrophobicContact CG2-CB 4.17Å; A195-V208 CarbonylContact C-O 3.59Å; A195-V208 VanDerWaalsContact CA-O 3.29Å; A195-V208 WeakPolarHBondContact CA-O 3.44Å; A195-F209 HydrophobicContact CB-CB 3.71Å
196D94.7Very high86Confident22 Ų2254.9 Ų54.912%0.11830%0.296CS..EExtended strand (participates in β ladder)trans-119.4135.9175.1-74.8-1.1000110.2R194 F198 I207 V208 F244 S246R194-D196 IonicContact NE-OD1 2.75Å; D196-F198 HydrophobicContact CB-CE1 4.1Å; D196-F198 HydrophobicContact CB-CE2 3.64Å; D196-F198 HydrophobicContact CB-CZ 3.29Å; D196-F198 WeakPolarHBondContact O-CE2 3.39Å; D196-I207 WeakPolarHBondContact O-CA 3.03Å; D196-V208 PolarHBondContact N-O 3.03Å; D196-V208 PolarHBondContact O-N 2.85Å; D196-F244 HydrophobicContact CB-CE2 4.05Å; D196-F244 HydrophobicContact CB-CZ 4.35Å; D196-S246 PolarHBondContact OD2-OG 3.34Å
197W93.8Very high88.2Confident27 Ų2751.6 Ų51.610%0.10227%0.265CS..EExtended strand (participates in β ladder)trans-107.5121.7-178.8-174.24000111S114 H116 Q121 M123 T133S114-W197 PolarHBondContact OG-N 2.82Å; H116-W197 HydrophobicContact CB-CD2 4.31Å; H116-W197 HydrophobicContact CB-CE3 3.85Å; H116-W197 HydrophobicContact CB-CH2 4.17Å; H116-W197 HydrophobicContact CB-CZ3 3.79Å; H116-W197 AromaticContact CD2-CE2 3.69Å; H116-W197 AromaticContact CD2-CH2 3.93Å; H116-W197 AromaticContact CD2-CZ2 3.58Å; Q121-W197 HydrophobicContact CB-CH2 4.3Å; Q121-W197 HydrophobicContact CB-CZ3 4.1Å; M123-W197 HydrophobicContact CB-CE3 4.01Å; M123-W197 HydrophobicContact CB-CZ3 4.48Å; M123-W197 HydrophobicContact CE-CB 3.88Å; M123-W197 HydrophobicContact CE-CD2 3.4Å; M123-W197 VanDerWaalsContact CE-CD2 3.4Å; M123-W197 HydrophobicContact CE-CE3 3.4Å; M123-W197 VanDerWaalsContact CE-CE3 3.4Å; M123-W197 HydrophobicContact CE-CG 3.64Å; M123-W197 HydrophobicContact CE-CZ3 4.03Å; T133-W197 HydrophobicContact CG2-CH2 4.06Å; T133-W197 HydrophobicContact CG2-CZ3 3.9Å
198F91.5Very high89.8Confident10 Ų1047.3 Ų47.34%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-116.3152.7-178-51.3-76.1000112.9D196 Q205 F206 V208 S246 Q257 C259D196-F198 HydrophobicContact CB-CE1 4.1Å; D196-F198 HydrophobicContact CB-CE2 3.64Å; D196-F198 HydrophobicContact CB-CZ 3.29Å; D196-F198 WeakPolarHBondContact O-CE2 3.39Å; F198-Q205 WeakPolarHBondContact O-CA 3.39Å; F198-F206 HydrophobicContact CB-CD1 4.07Å; F198-F206 HydrophobicContact CB-CD2 4.35Å; F198-F206 HydrophobicContact CB-CE1 3.61Å; F198-F206 HydrophobicContact CB-CE2 3.93Å; F198-F206 HydrophobicContact CB-CG 4.42Å; F198-F206 HydrophobicContact CB-CZ 3.54Å; F198-F206 AromaticContact CD2-CD2 3.8Å; F198-F206 HydrophobicContact CD2-CD2 3.8Å; F198-F206 AromaticContact CD2-CE2 3.29Å; F198-F206 HydrophobicContact CD2-CE2 3.29Å; F198-F206 AromaticContact CD2-CZ 3.72Å; F198-F206 HydrophobicContact CD2-CZ 3.72Å; F198-F206 HydrophobicContact CE2-CE2 4.08Å; F198-F206 HydrophobicContact CG-CE1 4.35Å; F198-F206 AromaticContact CG-CE2 3.86Å; F198-F206 HydrophobicContact CG-CE2 3.86Å; F198-F206 AromaticContact CG-CZ 3.78Å; F198-F206 HydrophobicContact CG-CZ 3.78Å; F198-F206 PolarHBondContact N-O 2.93Å; F198-F206 PolarHBondContact O-N 2.67Å; F198-V208 HydrophobicContact CD2-CG2 4.13Å; F198-V208 HydrophobicContact CE2-CB 3.92Å; F198-V208 HydrophobicContact CE2-CG2 3.65Å; F198-S246 VanDerWaalsContact CE1-OG 3.27Å; F198-S246 WeakPolarHBondContact CE1-OG 3.21Å; F198-S246 WeakPolarHBondContact CZ-OG 3.5Å; F198-Q257 HydrophobicContact CD1-CB 4.43Å; F198-C259 HydrophobicContact CB-CB 4.49Å; F198-C259 HydrophobicContact CD1-CB 3.5Å; F198-C259 VanDerWaalsContact CD1-CB 3.5Å; F198-C259 HydrophobicContact CE1-CB 3.81Å; F198-C259 HydrophobicContact CG-CB 3.92Å; F198-C259 HydrophobicContact CZ-CB 4.45Å
199S87.5Confident90.6Very high5 Ų543.4 Ų43.44%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-128.8122172.6-62.90000109Y117 Q257Y117-S199 WeakPolarHBondContact CD1-OG 3.36Å; Y117-S199 WeakPolarHBondContact CE1-OG 3.28Å; S199-Q257 CarbonylContact O-C 3.55Å; S199-Q257 PolarHBondContact O-N 2.99Å
200Q83.2Confident91Very high23 Ų2342.1 Ų42.111%0.10721%0.214CC..  trans-84.5160.4177.7-67.3-167.4-15.100111.7N202 G203 E204 F206Q200-N202 WeakPolarHBondContact CB-OD1 3.48Å; Q200-N202 PolarHBondContact O-N 3.11Å; Q200-N202 VanDerWaalsContact O-N 3.16Å; Q200-N202 PolarHBondContact OE1-ND2 3.43Å; Q200-G203 PolarHBondContact O-N 3.1Å; Q200-E204 PolarHBondContact N-O 2.9Å; Q200-F206 HydrophobicContact CG-CD1 4.03Å; Q200-F206 HydrophobicContact CG-CE1 3.61Å
201K79.9Confident91Very high144 Ų14439.9 Ų39.963%0.62621%0.211SC*.THydrogen-bonded Turntrans-61.7-20.5177.8-68.3176.2179.7169.30114.6E256 D258K201-E256 WeakPolarHBondContact CA-OE2 3.26Å; K201-D258 HydrophobicContact CD-CB 4.45Å; K201-D258 HydrophobicContact CG-CB 4.25Å
202N80.8Confident90.9Very high100 Ų10038.5 Ų38.554%0.53520%0.202SC..THydrogen-bonded Turntrans-81.8-1.9174.564.6-2.9000112.7Q200 E204Q200-N202 WeakPolarHBondContact CB-OD1 3.48Å; Q200-N202 PolarHBondContact O-N 3.11Å; Q200-N202 VanDerWaalsContact O-N 3.16Å; Q200-N202 PolarHBondContact OE1-ND2 3.43Å; N202-E204 VanDerWaalsContact ND2-CD 3.27Å; N202-E204 PolarHBondContact ND2-OE2 2.93Å; N202-E204 VanDerWaalsContact OD1-CB 3.28Å; N202-E204 WeakPolarHBondContact OD1-CB 3.46Å; N202-E204 PolarHBondContact OD1-N 2.92Å
203G82.2Confident90.5Very high56 Ų5638.8 Ų38.858%0.57720%0.204SC*.SBendtrans87.2-3.4-175.600000114.7Q200Q200-G203 PolarHBondContact O-N 3.1Å
204E86.7Confident89.9Confident114 Ų11434.7 Ų34.753%0.53318%0.182SC..  trans-74.2141.6176.6-66.1-177.5157.200111.3Q200 N202Q200-E204 PolarHBondContact N-O 2.9Å; N202-E204 VanDerWaalsContact ND2-CD 3.27Å; N202-E204 PolarHBondContact ND2-OE2 2.93Å; N202-E204 VanDerWaalsContact OD1-CB 3.28Å; N202-E204 WeakPolarHBondContact OD1-CB 3.46Å; N202-E204 PolarHBondContact OD1-N 2.92Å
205Q90.2Very high89Confident87 Ų8736.8 Ų36.841%0.40719%0.193SC..EExtended strand (participates in β ladder)trans-116.1145.1178.7-59.4-171-5.900110.6H116 F198H116-Q205 PolarHBondContact NE2-NE2 3.41Å; H116-Q205 VanDerWaalsContact NE2-NE2 3.17Å; F198-Q205 WeakPolarHBondContact O-CA 3.39Å
206F93.6Very high87.8Confident4 Ų439.6 Ų39.62%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-149.5158176.869.5-87000111.5F198 Q200 V208 V226 L227 R228 C259 L275F198-F206 HydrophobicContact CB-CD1 4.07Å; F198-F206 HydrophobicContact CB-CD2 4.35Å; F198-F206 HydrophobicContact CB-CE1 3.61Å; F198-F206 HydrophobicContact CB-CE2 3.93Å; F198-F206 HydrophobicContact CB-CG 4.42Å; F198-F206 HydrophobicContact CB-CZ 3.54Å; F198-F206 AromaticContact CD2-CD2 3.8Å; F198-F206 HydrophobicContact CD2-CD2 3.8Å; F198-F206 AromaticContact CD2-CE2 3.29Å; F198-F206 HydrophobicContact CD2-CE2 3.29Å; F198-F206 AromaticContact CD2-CZ 3.72Å; F198-F206 HydrophobicContact CD2-CZ 3.72Å; F198-F206 HydrophobicContact CE2-CE2 4.08Å; F198-F206 HydrophobicContact CG-CE1 4.35Å; F198-F206 AromaticContact CG-CE2 3.86Å; F198-F206 HydrophobicContact CG-CE2 3.86Å; F198-F206 AromaticContact CG-CZ 3.78Å; F198-F206 HydrophobicContact CG-CZ 3.78Å; F198-F206 PolarHBondContact N-O 2.93Å; F198-F206 PolarHBondContact O-N 2.67Å; Q200-F206 HydrophobicContact CG-CD1 4.03Å; Q200-F206 HydrophobicContact CG-CE1 3.61Å; F206-V208 HydrophobicContact CD2-CG2 4.06Å; F206-V208 HydrophobicContact CE2-CG2 3.91Å; F206-V226 HydrophobicContact CD2-CG1 4.21Å; F206-L227 CarbonylContact C-O 3.6Å; F206-L227 WeakPolarHBondContact CA-O 3.33Å; F206-L227 VanDerWaalsContact CB-O 3.26Å; F206-L227 WeakPolarHBondContact CB-O 3.45Å; F206-R228 HydrophobicContact CB-CG 3.73Å; F206-C259 HydrophobicContact CZ-CB 4.22Å; F206-L275 HydrophobicContact CE2-CD1 3.79Å; F206-L275 HydrophobicContact CZ-CD1 4.09Å
207I95.2Very high86.2Confident26 Ų2648.6 Ų48.613%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-123.5134.2-176.4-55.9161.5000107.9M123 L131 D196 F209 L227M123-I207 HydrophobicContact CE-CD1 3.5Å; M123-I207 HydrophobicContact CE-CG1 3.82Å; M123-I207 HydrophobicContact SD-CD1 3.85Å; M123-I207 HydrophobicContact SD-CG1 4.26Å; M123-I207 HydrophobicContact SD-CG2 4.08Å; L131-I207 HydrophobicContact CD1-CD1 4.36Å; L131-I207 HydrophobicContact CD1-CG2 4.05Å; D196-I207 WeakPolarHBondContact O-CA 3.03Å; I207-F209 HydrophobicContact CG2-CD1 4.2Å; I207-L227 HydrophobicContact CB-CB 4.37Å; I207-L227 HydrophobicContact CD1-CD2 4.13Å; I207-L227 PolarHBondContact N-O 3.37Å; I207-L227 PolarHBondContact O-N 3.26Å
208V96.2Very high85Confident0 Ų051.3 Ų51.30%027%0.274CS..EExtended strand (participates in β ladder)trans-113.4131.3171.5179.50000108.1A195 D196 F198 F206 I224 T225 V226 F244 I262 L275A195-V208 CarbonylContact C-O 3.59Å; A195-V208 VanDerWaalsContact CA-O 3.29Å; A195-V208 WeakPolarHBondContact CA-O 3.44Å; D196-V208 PolarHBondContact N-O 3.03Å; D196-V208 PolarHBondContact O-N 2.85Å; F198-V208 HydrophobicContact CD2-CG2 4.13Å; F198-V208 HydrophobicContact CE2-CB 3.92Å; F198-V208 HydrophobicContact CE2-CG2 3.65Å; F206-V208 HydrophobicContact CD2-CG2 4.06Å; F206-V208 HydrophobicContact CE2-CG2 3.91Å; V208-I224 HydrophobicContact CG1-CG2 3.71Å; V208-T225 WeakPolarHBondContact CA-O 3.37Å; V208-V226 HydrophobicContact CG2-CG1 4.41Å; V208-V226 HydrophobicContact CG2-CG2 4.28Å; V208-F244 HydrophobicContact CB-CE2 4.42Å; V208-F244 HydrophobicContact CG1-CE2 4.05Å; V208-F244 HydrophobicContact CG1-CZ 4.14Å; V208-I262 HydrophobicContact CG1-CD1 3.58Å; V208-L275 HydrophobicContact CG2-CD1 4.3Å; V208-L275 HydrophobicContact CG2-CD2 4.33Å
209F96.6Very high83.9Confident0 Ų059.2 Ų59.20%031%0.312CS..EExtended strand (participates in β ladder)trans-147.6154.1178.465.4-89.8000113.7L131 P148 L149 I192 R194 A195 I207 G211 I224 T225 L227L131-F209 HydrophobicContact CD1-CD1 4.43Å; P148-F209 HydrophobicContact CB-CE1 3.93Å; P148-F209 HydrophobicContact CB-CZ 3.63Å; P148-F209 HydrophobicContact CG-CE1 4.2Å; P148-F209 HydrophobicContact CG-CZ 4.07Å; L149-F209 HydrophobicContact CD1-CE2 4.16Å; L149-F209 HydrophobicContact CD1-CZ 4.39Å; L149-F209 HydrophobicContact CG-CE2 4.4Å; L149-F209 HydrophobicContact CG-CZ 4.19Å; I192-F209 HydrophobicContact CD1-CD2 4.06Å; I192-F209 HydrophobicContact CD1-CE2 4.24Å; I192-F209 HydrophobicContact CG1-CD2 4.03Å; I192-F209 HydrophobicContact CG1-CE2 4.38Å; I192-F209 HydrophobicContact CG2-CB 3.8Å; I192-F209 HydrophobicContact CG2-CD2 4.03Å; I192-F209 HydrophobicContact CG2-CG 4.25Å; R194-F209 CarbonylContact O-C 3.5Å; R194-F209 WeakPolarHBondContact O-CA 3.41Å; R194-F209 VanDerWaalsContact O-CB 3.26Å; R194-F209 WeakPolarHBondContact O-CB 3.28Å; A195-F209 HydrophobicContact CB-CB 3.71Å; I207-F209 HydrophobicContact CG2-CD1 4.2Å; F209-G211 WeakPolarHBondContact CE2-O 3.39Å; F209-I224 WeakPolarHBondContact O-CA 3.21Å; F209-T225 HydrophobicContact CE1-CG2 3.64Å; F209-T225 HydrophobicContact CE2-CG2 4.21Å; F209-T225 HydrophobicContact CZ-CG2 3.44Å; F209-T225 VanDerWaalsContact CZ-CG2 3.44Å; F209-T225 PolarHBondContact N-O 3.19Å; F209-T225 PolarHBondContact O-N 2.91Å; F209-L227 HydrophobicContact CE1-CB 4.36Å
210S95.7Very high83.2Confident6 Ų661.1 Ų61.14%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-100.4138.7172.756.70000111I192 D193 R194I192-S210 WeakPolarHBondContact CA-O 2.89Å; D193-S210 PolarHBondContact N-O 3.37Å; D193-S210 VanDerWaalsContact N-O 3.14Å; R194-S210 PolarHBondContact N-OG 2.82Å; R194-S210 PolarHBondContact O-N 2.98Å
211G91.4Very high83.2Confident16 Ų1662.4 Ų62.417%0.16533%0.329CS..EExtended strand (participates in β ladder)trans80.7-148.2178.700000114.1F209 T213 C223F209-G211 WeakPolarHBondContact CE2-O 3.39Å; G211-T213 VanDerWaalsContact C-N 3.27Å; G211-T213 PolarHBondContact O-N 2.83Å; G211-C223 PolarHBondContact N-O 3.18Å
212G89Confident83.7Confident2 Ų257.6 Ų57.62%0.02131%0.312CS..  trans77.62.3-177.500000115.7R190 P191R190-G212 VanDerWaalsContact O-CA 3.31Å; R190-G212 WeakPolarHBondContact O-CA 3.47Å; P191-G212 PolarHBondContact O-N 3.16Å
213T86.9Confident84.3Confident7 Ų753.1 Ų53.14%0.04329%0.288CS..PPolyproline II helixtrans-68.2148.9-178.1490000111.8L149 R190 G211 C223L149-T213 HydrophobicContact CD1-CG2 3.96Å; R190-T213 WeakPolarHBondContact CB-O 3.48Å; R190-T213 PolarHBondContact N-O 2.92Å; G211-T213 VanDerWaalsContact C-N 3.27Å; G211-T213 PolarHBondContact O-N 2.83Å; T213-C223 WeakPolarHBondContact CG2-SG 3.48Å
214P82.8Confident84.9Confident1 Ų150.4 Ų50.41%0.00626%0.261CS..BIsolated β-bridgetrans-61.6141.3173.424.9-32.5000110.6Q187 Y189 V216Q187-P214 HydrophobicContact CG-CB 4.03Å; Q187-P214 VanDerWaalsContact NE2-CB 3.34Å; Y189-P214 HydrophobicContact CD1-CB 4.1Å; Y189-P214 HydrophobicContact CE1-CB 4.09Å; P214-V216 PolarHBondContact O-N 2.78Å
215F74.9Confident85.3Confident119 Ų11945 Ų4552%0.52224%0.235SC..PPolyproline II helixtrans-64122.3170.6-87.9-85.7000109.3C188 Y189 R190C188-F215 HydrophobicContact CB-CB 4.33Å; C188-F215 HydrophobicContact CB-CD2 3.76Å; C188-F215 HydrophobicContact CB-CG 4.36Å; C188-F215 WeakPolarHBondContact O-CB 3.24Å; C188-F215 WeakPolarHBondContact O-CD2 3.38Å; C188-F215 PolarHBondContact O-N 2.84Å; Y189-F215 VanDerWaalsContact C-CD2 3.5Å; Y189-F215 WeakPolarHBondContact O-CE2 3.48Å; R190-F215 HydrophobicContact CB-CE2 4.4Å; R190-F215 HydrophobicContact CG-CD1 4.33Å; R190-F215 HydrophobicContact CG-CD2 4.07Å; R190-F215 HydrophobicContact CG-CE1 4.14Å; R190-F215 HydrophobicContact CG-CE2 3.89Å; R190-F215 HydrophobicContact CG-CG 4.3Å; R190-F215 HydrophobicContact CG-CZ 3.92Å
216V71.9Confident85.5Confident63 Ų6341 Ų4138%0.38222%0.217SC..  trans-123.8148.2170-175.50000106.5P214 S218P214-V216 PolarHBondContact O-N 2.78Å; V216-S218 PolarHBondContact O-N 3.25Å; V216-S218 VanDerWaalsContact O-O 3.11Å
217E60.7Low85.5Confident210 Ų21042 Ų4298%0.98122%0.222SC*.SBendtrans-57.3-32180-71.6178.7166.700112.9
218S68.7Low85.3Confident84 Ų8444.7 Ų44.759%0.58723%0.231SC*.SBendtrans-77134.8169.8-175.70000110.7V216 R220V216-S218 PolarHBondContact O-N 3.25Å; V216-S218 VanDerWaalsContact O-O 3.11Å; S218-R220 PolarHBondContact O-N 2.99Å
219E68.7Low84.8Confident177 Ų17747.9 Ų47.983%0.82726%0.264SS*.  trans-58.3113168.4-72.9-164.1158.500109.6
220R72.2Confident84.3Confident45 Ų4558 Ų5817%0.1731%0.307CS..PPolyproline II helixtrans-76.8144.1168.9-76-169.3173.8-166.9-0.9110.1M152 R190 S218M152-R220 PolarHBondContact SD-NH1 3.45Å; R190-R220 PolarHBondContact NH1-O 2.82Å; S218-R220 PolarHBondContact O-N 2.99Å
221P83.9Confident83.9Confident50 Ų5061.5 Ų61.533%0.32533%0.331SS..PPolyproline II helixtrans-60.4151.2174.326.8-33.9000110.6E236P221-E236 HydrophobicContact CG-CB 4.14Å; P221-E236 HydrophobicContact CG-CG 3.93Å
222P90.1Very high83.8Confident42 Ų4263.9 Ų63.927%0.27334%0.34SS..PPolyproline II helixtrans-58.9144.6171.124.7-30.9000110M237 H239 I241P222-M237 HydrophobicContact CB-CB 4.48Å; P222-M237 HydrophobicContact CG-CB 4.13Å; P222-M237 WeakPolarHBondContact O-CB 3.14Å; P222-M237 PolarHBondContact O-N 2.95Å; P222-H239 WeakPolarHBondContact CG-O 3.12Å; P222-I241 HydrophobicContact CB-CD1 4.25Å; P222-I241 HydrophobicContact CB-CG1 4.26Å
223C92.4Very high84Confident6 Ų665.4 Ų65.44%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-145.6150.1-176.765.50000113.5G211 T213 V234 L235 I241G211-C223 PolarHBondContact N-O 3.18Å; T213-C223 WeakPolarHBondContact CG2-SG 3.48Å; C223-V234 HydrophobicContact CB-CG1 3.88Å; C223-L235 CarbonylContact C-O 3.54Å; C223-L235 WeakPolarHBondContact CA-O 3.23Å; C223-L235 VanDerWaalsContact CB-O 3.28Å; C223-L235 WeakPolarHBondContact CB-O 3.42Å; C223-I241 WeakPolarHBondContact O-CD1 3.42Å
224I95.6Very high84.2Confident0 Ų067.5 Ų67.50%036%0.363CS..EExtended strand (participates in β ladder)trans-103.8134165.7-65.9-69.6000108.1V208 F209 L235 M237 I241 F244 I262 V264 I273V208-I224 HydrophobicContact CG1-CG2 3.71Å; F209-I224 WeakPolarHBondContact O-CA 3.21Å; I224-L235 PolarHBondContact N-O 3.23Å; I224-L235 WeakPolarHBondContact O-CD1 3.32Å; I224-L235 PolarHBondContact O-N 2.82Å; I224-M237 HydrophobicContact CB-CE 4Å; I224-M237 HydrophobicContact CG1-CE 3.93Å; I224-I241 HydrophobicContact CD1-CD1 3.77Å; I224-I241 HydrophobicContact CD1-CG2 4.49Å; I224-I241 HydrophobicContact CG1-CD1 3.82Å; I224-F244 HydrophobicContact CD1-CD1 3.83Å; I224-F244 HydrophobicContact CD1-CE1 4.34Å; I224-F244 HydrophobicContact CD1-CG 4.44Å; I224-I262 HydrophobicContact CG2-CD1 3.94Å; I224-V264 HydrophobicContact CD1-CG1 4.33Å; I224-V264 HydrophobicContact CG1-CG1 4.17Å; I224-V264 HydrophobicContact CG1-CG2 4.16Å; I224-I273 HydrophobicContact CB-CD1 4.46Å; I224-I273 HydrophobicContact CG2-CD1 4.4Å
225T95Very high84.6Confident0 Ų068.5 Ų68.50%037%0.368CS..EExtended strand (participates in β ladder)trans-114.4133.1177-56.50000110.4L149 V208 F209 L232 S233 V234L149-T225 HydrophobicContact CD2-CG2 4.17Å; V208-T225 WeakPolarHBondContact CA-O 3.37Å; F209-T225 HydrophobicContact CE1-CG2 3.64Å; F209-T225 HydrophobicContact CE2-CG2 4.21Å; F209-T225 HydrophobicContact CZ-CG2 3.44Å; F209-T225 VanDerWaalsContact CZ-CG2 3.44Å; F209-T225 PolarHBondContact N-O 3.19Å; F209-T225 PolarHBondContact O-N 2.91Å; T225-L232 HydrophobicContact CG2-CD2 3.67Å; T225-S233 CarbonylContact C-O 3.56Å; T225-S233 WeakPolarHBondContact CA-O 3.43Å; T225-V234 HydrophobicContact CG2-CG2 4.2Å
226V95.1Very high85.4Confident2 Ų268 Ų681%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-108.3116.3171-173.60000108.5F206 V208 R228 S233 L235 L275F206-V226 HydrophobicContact CD2-CG1 4.21Å; V208-V226 HydrophobicContact CG2-CG1 4.41Å; V208-V226 HydrophobicContact CG2-CG2 4.28Å; V226-R228 HydrophobicContact CG1-CG 4.41Å; V226-S233 PolarHBondContact N-O 3Å; V226-S233 PolarHBondContact O-N 3.22Å; V226-L235 HydrophobicContact CG2-CD1 3.99Å; V226-L275 HydrophobicContact CG1-CD2 4.3Å; V226-L275 HydrophobicContact CG2-CD2 3.77Å
227L93.5Very high86.3Confident27 Ų2765.6 Ų65.614%0.14135%0.352CS..EExtended strand (participates in β ladder)trans-105.3114.3179.2172.961000110.2P148 F206 I207 F209 G229 C231 L232P148-L227 HydrophobicContact CB-CD2 4.32Å; F206-L227 CarbonylContact C-O 3.6Å; F206-L227 WeakPolarHBondContact CA-O 3.33Å; F206-L227 VanDerWaalsContact CB-O 3.26Å; F206-L227 WeakPolarHBondContact CB-O 3.45Å; I207-L227 HydrophobicContact CB-CB 4.37Å; I207-L227 HydrophobicContact CD1-CD2 4.13Å; I207-L227 PolarHBondContact N-O 3.37Å; I207-L227 PolarHBondContact O-N 3.26Å; F209-L227 HydrophobicContact CE1-CB 4.36Å; L227-G229 WeakPolarHBondContact CD1-O 3.02Å; L227-C231 WeakPolarHBondContact CA-O 3.48Å; L227-L232 HydrophobicContact CB-CD2 4.11Å; L227-L232 HydrophobicContact CD1-CD2 3.68Å; L227-L232 HydrophobicContact CD1-CG 4.12Å; L227-L232 HydrophobicContact CG-CD2 4.4Å
228R90.6Very high87.5Confident82 Ų8263.2 Ų63.231%0.30934%0.341SS..EExtended strand (participates in β ladder)trans-116101.7175.4-68.6-171170.5166.91.9110.8F206 V226 K230 C231 L275F206-R228 HydrophobicContact CB-CG 3.73Å; V226-R228 HydrophobicContact CG1-CG 4.41Å; R228-K230 PolarHBondContact O-N 3.13Å; R228-C231 PolarHBondContact N-O 2.95Å; R228-C231 PolarHBondContact O-N 3.08Å; R228-L275 PolarHBondContact NH2-O 3.16Å
229G86.3Confident88.4Confident67 Ų6761.4 Ų61.469%0.69132%0.323SS*.THydrogen-bonded Turntrans57.7-102.8-172.800000110.7L227L227-G229 WeakPolarHBondContact CD1-O 3.02Å
230K84.7Confident89.5Confident211 Ų21156.1 Ų56.192%0.91730%0.304SS*.THydrogen-bonded Turntrans-107.9-3.9175.8-62.4-175.1180-178.90114.4R228R228-K230 PolarHBondContact O-N 3.13Å
231C88Confident90.6Very high80 Ų8055.9 Ų55.954%0.54131%0.306SS..EExtended strand (participates in β ladder)trans-89129.6-178.7-169.90000110.4L227 R228L227-C231 WeakPolarHBondContact CA-O 3.48Å; R228-C231 PolarHBondContact N-O 2.95Å; R228-C231 PolarHBondContact O-N 3.08Å
232L89.8Confident91.1Very high67 Ų6757.9 Ų57.935%0.35132%0.317SS..EExtended strand (participates in β ladder)trans-113.1124.6178.7-72.3161.6000109.6P148 L149 T225 L227P148-L232 WeakPolarHBondContact O-CD1 3.24Å; L149-L232 HydrophobicContact CD2-CD1 4.06Å; L149-L232 HydrophobicContact CD2-CD2 4.05Å; T225-L232 HydrophobicContact CG2-CD2 3.67Å; L227-L232 HydrophobicContact CB-CD2 4.11Å; L227-L232 HydrophobicContact CD1-CD2 3.68Å; L227-L232 HydrophobicContact CD1-CG 4.12Å; L227-L232 HydrophobicContact CG-CD2 4.4Å
233S91.5Very high91.3Very high34 Ų3459.1 Ų59.124%0.23832%0.321CS..EExtended strand (participates in β ladder)trans-109.8112.3166.6-59.10000108.7T225 V226T225-S233 CarbonylContact C-O 3.56Å; T225-S233 WeakPolarHBondContact CA-O 3.43Å; V226-S233 PolarHBondContact N-O 3Å; V226-S233 PolarHBondContact O-N 3.22Å
234V91.3Very high91.4Very high51 Ų5159 Ų5931%0.30932%0.32SS..EExtended strand (participates in β ladder)trans-100.2119177.4-177.20000108.5L149 C223 T225L149-V234 HydrophobicContact CD2-CG2 4.26Å; C223-V234 HydrophobicContact CB-CG1 3.88Å; T225-V234 HydrophobicContact CG2-CG2 4.2Å
235L92.4Very high91.3Very high22 Ų2262.8 Ų62.812%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-105.2110.8177.4-58.697.8000108.8C223 I224 V226 M237 I273 C280C223-L235 CarbonylContact C-O 3.54Å; C223-L235 WeakPolarHBondContact CA-O 3.23Å; C223-L235 VanDerWaalsContact CB-O 3.28Å; C223-L235 WeakPolarHBondContact CB-O 3.42Å; I224-L235 PolarHBondContact N-O 3.23Å; I224-L235 WeakPolarHBondContact O-CD1 3.32Å; I224-L235 PolarHBondContact O-N 2.82Å; V226-L235 HydrophobicContact CG2-CD1 3.99Å; L235-M237 HydrophobicContact CB-CE 3.63Å; L235-I273 HydrophobicContact CD2-CD1 4.05Å; L235-I273 HydrophobicContact CD2-CG1 4.2Å; L235-I273 HydrophobicContact CD2-CG2 3.8Å; L235-C280 HydrophobicContact CD1-CB 4.25Å; L235-C280 HydrophobicContact CD2-CB 4.12Å; L235-C280 WeakPolarHBondContact CD2-O 3.44Å
236E91.3Very high91.2Very high107 Ų10763.9 Ų63.950%0.535%0.351SS..EExtended strand (participates in β ladder)trans-74.1139.4173.4-62.3-174.6167.200110.4P221P221-E236 HydrophobicContact CG-CB 4.14Å; P221-E236 HydrophobicContact CG-CG 3.93Å
237M90.2Very high91Very high13 Ų1365.5 Ų65.56%0.06436%0.359CS..  trans-111.1144.1-179.9-58.9-63.8148.600109.6P222 I224 L235 H239 I241 L266 I273P222-M237 HydrophobicContact CB-CB 4.48Å; P222-M237 HydrophobicContact CG-CB 4.13Å; P222-M237 WeakPolarHBondContact O-CB 3.14Å; P222-M237 PolarHBondContact O-N 2.95Å; I224-M237 HydrophobicContact CB-CE 4Å; I224-M237 HydrophobicContact CG1-CE 3.93Å; L235-M237 HydrophobicContact CB-CE 3.63Å; M237-H239 VanDerWaalsContact C-N 3.34Å; M237-I241 HydrophobicContact CB-CG1 4.49Å; M237-I241 HydrophobicContact CG-CD1 4.08Å; M237-I241 HydrophobicContact CG-CG1 4.05Å; M237-L266 HydrophobicContact CB-CD1 4.14Å; M237-L266 HydrophobicContact CB-CD2 4.09Å; M237-L266 HydrophobicContact CG-CD2 4.08Å; M237-L266 HydrophobicContact SD-CD1 4.35Å; M237-L266 HydrophobicContact SD-CD2 4.38Å; M237-I273 HydrophobicContact CE-CD1 3.75Å
238E85.4Confident90.7Very high161 Ų16166.6 Ų66.675%0.75237%0.367SS*.SBendtrans-72.4-29.7179.3-64-177.917100112.2
239H88.7Confident90.2Very high46 Ų4669 Ų6921%0.21339%0.386CS..SBendtrans-125.8156-177.3-63.1-59.3000111.9P222 M237 I241 L266P222-H239 WeakPolarHBondContact CG-O 3.12Å; M237-H239 VanDerWaalsContact C-N 3.34Å; H239-I241 PolarHBondContact O-N 3.29Å; H239-L266 HydrophobicContact CB-CB 3.87Å; H239-L266 HydrophobicContact CB-CD1 4.23Å
240P92Very high90Very high65 Ų6567 Ų6742%0.42236%0.361SS..  trans-53.5134.8175.8-27.436.3000112.7L266 Q267P240-L266 CarbonylContact O-C 3.54Å; P240-L266 VanDerWaalsContact O-CA 3.27Å; P240-L266 WeakPolarHBondContact O-CA 2.98Å; P240-Q267 PolarHBondContact O-N 3.18Å
241I94.9Very high89.9Confident40 Ų4059.1 Ų59.121%0.20533%0.332CS..EExtended strand (participates in β ladder)trans-75.1125.8176.9-62.3158.4000108.6P222 C223 I224 M237 H239 V264 L266P222-I241 HydrophobicContact CB-CD1 4.25Å; P222-I241 HydrophobicContact CB-CG1 4.26Å; C223-I241 WeakPolarHBondContact O-CD1 3.42Å; I224-I241 HydrophobicContact CD1-CD1 3.77Å; I224-I241 HydrophobicContact CD1-CG2 4.49Å; I224-I241 HydrophobicContact CG1-CD1 3.82Å; M237-I241 HydrophobicContact CB-CG1 4.49Å; M237-I241 HydrophobicContact CG-CD1 4.08Å; M237-I241 HydrophobicContact CG-CG1 4.05Å; H239-I241 PolarHBondContact O-N 3.29Å; I241-V264 HydrophobicContact CG1-CG1 4.3Å; I241-V264 HydrophobicContact CG2-CG1 4.1Å; I241-L266 HydrophobicContact CB-CD2 4.24Å; I241-L266 HydrophobicContact CG1-CD2 3.62Å
242V94.1Very high89.6Confident93 Ų9356.6 Ų56.656%0.56431%0.311SS*.EExtended strand (participates in β ladder)trans-88.8-53.1172.6179.40000109.6L265 Q267V242-L265 HydrophobicContact CB-CB 4.49Å; V242-L265 HydrophobicContact CB-CD2 4.19Å; V242-L265 HydrophobicContact CB-CG 4.13Å; V242-L265 WeakPolarHBondContact CB-O 3.45Å; V242-L265 HydrophobicContact CG1-CD2 4.06Å; V242-L265 PolarHBondContact N-O 2.8Å; V242-Q267 HydrophobicContact CG2-CB 4.48Å
243D93.9Very high89.1Confident67 Ų6757.5 Ų57.536%0.35832%0.319SS..EExtended strand (participates in β ladder)trans-162.1168.4177.1-160.210.1000110.9R194 L265R194-D243 WeakPolarHBondContact CD-OD1 3.41Å; R194-D243 IonicContact CZ-OD1 3.72Å; R194-D243 IonicContact CZ-OD2 3.04Å; R194-D243 IonicContact NE-OD1 2.88Å; R194-D243 IonicContact NH1-OD1 3.04Å; R194-D243 PolarHBondContact NH1-OD1 3.13Å; R194-D243 IonicContact NH1-OD2 3.17Å; R194-D243 PolarHBondContact NH1-OD2 3.43Å; D243-L265 PolarHBondContact N-O 3.47Å; D243-L265 PolarHBondContact O-N 3.13Å
244F96Very high88.5Confident3 Ų358.1 Ų58.11%0.01332%0.32CS..EExtended strand (participates in β ladder)trans-135.1151.3165.471.7-94.1000111.8R194 D196 V208 I224 I262 A263 V264R194-F244 HydrophobicContact CB-CD1 4.41Å; R194-F244 HydrophobicContact CB-CE1 3.73Å; R194-F244 HydrophobicContact CB-CZ 4.32Å; R194-F244 HydrophobicContact CG-CD1 4.41Å; R194-F244 HydrophobicContact CG-CE1 3.69Å; R194-F244 HydrophobicContact CG-CZ 3.83Å; R194-F244 PolarHBondContact NE-O 2.72Å; D196-F244 HydrophobicContact CB-CE2 4.05Å; D196-F244 HydrophobicContact CB-CZ 4.35Å; V208-F244 HydrophobicContact CB-CE2 4.42Å; V208-F244 HydrophobicContact CG1-CE2 4.05Å; V208-F244 HydrophobicContact CG1-CZ 4.14Å; I224-F244 HydrophobicContact CD1-CD1 3.83Å; I224-F244 HydrophobicContact CD1-CE1 4.34Å; I224-F244 HydrophobicContact CD1-CG 4.44Å; F244-I262 HydrophobicContact CD2-CG2 4.47Å; F244-A263 CarbonylContact C-O 3.55Å; F244-A263 VanDerWaalsContact CA-O 3.24Å; F244-A263 WeakPolarHBondContact CA-O 3.06Å; F244-V264 HydrophobicContact CB-CB 4.35Å; F244-V264 HydrophobicContact CB-CG1 4.36Å; F244-V264 HydrophobicContact CB-CG2 4Å
245V93.2Very high87.9Confident81 Ų8158.7 Ų58.749%0.49132%0.319SS..EExtended strand (participates in β ladder)trans-127.8143.5177.768.30000110.9L247 I262 A263V245-L247 HydrophobicContact CG1-CD2 4.47Å; V245-I262 CarbonylContact O-C 3.56Å; V245-I262 WeakPolarHBondContact O-CA 3.47Å; V245-A263 HydrophobicContact CG1-CB 3.92Å; V245-A263 PolarHBondContact N-O 3.45Å; V245-A263 PolarHBondContact O-N 2.99Å
246S92Very high87.2Confident23 Ų2361.6 Ų61.616%0.16133%0.332CS..EExtended strand (participates in β ladder)trans-86.5132.5-177.5-58.90000111.4D196 F198D196-S246 PolarHBondContact OD2-OG 3.34Å; F198-S246 VanDerWaalsContact CE1-OG 3.27Å; F198-S246 WeakPolarHBondContact CE1-OG 3.21Å; F198-S246 WeakPolarHBondContact CZ-OG 3.5Å
247L91.6Very high86.8Confident35 Ų3558 Ų5818%0.18332%0.316CS..EExtended strand (participates in β ladder)trans-99.491.4179-50.2-177000109V245 S260 A261 A263 P331 L332V245-L247 HydrophobicContact CG1-CD2 4.47Å; L247-S260 PolarHBondContact O-N 2.99Å; L247-S260 PolarHBondContact O-OG 2.77Å; L247-A261 WeakPolarHBondContact CA-O 3.43Å; L247-A261 HydrophobicContact CB-CB 4.38Å; L247-A261 WeakPolarHBondContact CB-O 3.32Å; L247-A261 HydrophobicContact CD1-CB 3.98Å; L247-A261 WeakPolarHBondContact CG-O 3.47Å; L247-A261 PolarHBondContact N-O 3.49Å; L247-A263 HydrophobicContact CD1-CB 4.43Å; L247-A263 HydrophobicContact CD2-CB 4.33Å; L247-P331 HydrophobicContact CD1-CB 3.73Å; L247-P331 HydrophobicContact CD1-CG 3.56Å; L247-L332 HydrophobicContact CD1-CD2 3.8Å; L247-L332 HydrophobicContact CD2-CD2 3.68Å; L247-L332 HydrophobicContact CG-CD2 4.44Å
248V87.3Confident86.4Confident50 Ų5058.5 Ų58.530%0.30332%0.318SS..  trans-109.5145.4-179-660000110.6Q257 C259V248-Q257 HydrophobicContact CG1-CB 4.35Å; V248-C259 HydrophobicContact CG1-CB 3.91Å
249D80.5Confident86.7Confident132 Ų13250.9 Ų50.971%0.70628%0.283SS*.SBendtrans-76.6-31.3-178.8-65.9-29.5000112.5
250S82.3Confident86.8Confident26 Ų2650.2 Ų50.218%0.18228%0.283CS..  trans-104.4130.1-178.2-174.40000111Y252 E255S250-Y252 PolarHBondContact O-N 3.06Å; S250-Y252 WeakPolarHBondContact OG-CB 3.37Å; S250-Y252 PolarHBondContact OG-N 3.35Å; S250-E255 WeakPolarHBondContact CB-OE2 3.35Å; S250-E255 PolarHBondContact OG-OE2 3Å
251P81.6Confident86.9Confident46 Ų4647.1 Ų47.130%0.29926%0.263SS..  trans-77.8-6.2171.633.5-34.9000112.8F15 V253 P861F15-P251 HydrophobicContact CD1-CB 4.21Å; F15-P251 HydrophobicContact CD1-CG 4.1Å; F15-P251 HydrophobicContact CD2-CB 3.87Å; F15-P251 HydrophobicContact CD2-CG 4.35Å; F15-P251 HydrophobicContact CE1-CB 4.18Å; F15-P251 HydrophobicContact CE1-CG 3.65Å; F15-P251 HydrophobicContact CE2-CB 3.85Å; F15-P251 HydrophobicContact CE2-CG 3.93Å; F15-P251 HydrophobicContact CG-CB 4.05Å; F15-P251 HydrophobicContact CG-CG 4.42Å; F15-P251 HydrophobicContact CZ-CB 3.99Å; F15-P251 HydrophobicContact CZ-CG 3.55Å; P251-V253 PolarHBondContact O-N 3.46Å; P251-P861 HydrophobicContact CG-CG 3.49Å; P251-P861 VanDerWaalsContact CG-CG 3.49Å
252Y81.9Confident87Confident26 Ų2645.2 Ų45.210%0.10225%0.253CS..  trans-82.5108.3-176.8-68.6-72000111F15 Q16 S250 N254 E255 Q257 P861 Q862 P863F15-Y252 HydrophobicContact CD1-CD1 4.37Å; F15-Y252 AromaticContact CD1-CE1 3.87Å; F15-Y252 HydrophobicContact CD1-CE1 3.87Å; F15-Y252 HydrophobicContact CE1-CE1 4.01Å; F15-Y252 HydrophobicContact CE1-CE2 4.29Å; F15-Y252 AromaticContact CE1-CZ 3.72Å; Q16-Y252 PolarHBondContact NE2-OH 3.16Å; Q16-Y252 VanDerWaalsContact NE2-OH 3.13Å; S250-Y252 PolarHBondContact O-N 3.06Å; S250-Y252 WeakPolarHBondContact OG-CB 3.37Å; S250-Y252 PolarHBondContact OG-N 3.35Å; Y252-N254 WeakPolarHBondContact CB-OD1 3.31Å; Y252-N254 PolarHBondContact O-N 2.91Å; Y252-E255 PolarHBondContact O-N 3.36Å; Y252-Q257 PolarHBondContact O-NE2 3.08Å; Y252-P861 HydrophobicContact CE2-CB 4.24Å; Y252-P861 HydrophobicContact CE2-CG 4.24Å; Y252-P861 PolarHBondContact OH-O 2.8Å; Y252-Q862 VanDerWaalsContact CE2-O 3.26Å; Y252-Q862 WeakPolarHBondContact CE2-O 3.21Å; Y252-Q862 PolarHBondContact OH-O 2.82Å; Y252-P863 HydrophobicContact CE1-CB 4.03Å; Y252-P863 VanDerWaalsContact OH-CA 3.28Å; Y252-P863 WeakPolarHBondContact OH-CA 3.29Å
253V80.1Confident87.1Confident87 Ų8741 Ų4153%0.52723%0.228SC..THydrogen-bonded Turntrans-66-18.7-175.8-66.40000114.7P68 P251P68-V253 HydrophobicContact CB-CB 4.2Å; P68-V253 HydrophobicContact CB-CG2 3.89Å; P68-V253 HydrophobicContact CG-CB 4.26Å; P68-V253 HydrophobicContact CG-CG2 4.17Å; P251-V253 PolarHBondContact O-N 3.46Å
254N77.7Confident87.1Confident46 Ų4637.8 Ų37.825%0.24621%0.211CC..THydrogen-bonded Turntrans-83.8-10.5178.862.6-29.4000113.1P68 D70 Y252P68-N254 WeakPolarHBondContact O-CB 3.42Å; D70-N254 PolarHBondContact OD1-ND2 3.27Å; Y252-N254 WeakPolarHBondContact CB-OD1 3.31Å; Y252-N254 PolarHBondContact O-N 2.91Å
255E78.5Confident87.1Confident63 Ų6341.6 Ų41.629%0.29423%0.231SC..SBendtrans-91.2160.2175.8-64.7-175.2158.600111.9Y117 S250 Y252 Q257 P864Y117-E255 WeakPolarHBondContact CB-O 3.41Å; S250-E255 WeakPolarHBondContact CB-OE2 3.35Å; S250-E255 PolarHBondContact OG-OE2 3Å; Y252-E255 PolarHBondContact O-N 3.36Å; E255-Q257 PolarHBondContact O-N 3.14Å; E255-Q257 VanDerWaalsContact O-N 3.11Å; E255-Q257 PolarHBondContact O-NE2 3.3Å; E255-P864 WeakPolarHBondContact OE1-CB 3.28Å; E255-P864 WeakPolarHBondContact OE1-CG 3.32Å
256E78.9Confident87.1Confident83 Ų8337.9 Ų37.939%0.38821%0.209SC..  trans-57.8115.1172.2-69.6176.8177.600110.5Y117 K201 D258Y117-E256 HydrophobicContact CD2-CG 4.21Å; Y117-E256 HydrophobicContact CE2-CG 3.7Å; K201-E256 WeakPolarHBondContact CA-OE2 3.26Å; E256-D258 PolarHBondContact O-N 3.46Å
257Q81.3Confident86.9Confident33 Ų3342.9 Ų42.915%0.15423%0.23CC..  trans-80.279.3-178.1-61.2-63.3-45.500110.5F198 S199 V248 Y252 E255 C259F198-Q257 HydrophobicContact CD1-CB 4.43Å; S199-Q257 CarbonylContact O-C 3.55Å; S199-Q257 PolarHBondContact O-N 2.99Å; V248-Q257 HydrophobicContact CG1-CB 4.35Å; Y252-Q257 PolarHBondContact O-NE2 3.08Å; E255-Q257 PolarHBondContact O-N 3.14Å; E255-Q257 VanDerWaalsContact O-N 3.11Å; E255-Q257 PolarHBondContact O-NE2 3.3Å; Q257-C259 PolarHBondContact O-N 3.2Å
258D83.4Confident86.4Confident23 Ų2345.2 Ų45.212%0.12324%0.242CC..  trans-70.276.1173.1-174.521.8000111K201 E256 S260 K276K201-D258 HydrophobicContact CD-CB 4.45Å; K201-D258 HydrophobicContact CG-CB 4.25Å; E256-D258 PolarHBondContact O-N 3.46Å; D258-S260 PolarHBondContact O-N 3.25Å; D258-K276 VanDerWaalsContact CG-NZ 3.34Å; D258-K276 WeakPolarHBondContact OD1-CE 3.12Å; D258-K276 IonicContact OD1-NZ 2.68Å; D258-K276 PolarHBondContact OD1-NZ 3.15Å; D258-K276 IonicContact OD2-NZ 2.68Å; D258-K276 PolarHBondContact OD2-NZ 2.82Å
259C91.1Very high86.4Confident0 Ų045 Ų450%024%0.239CC..  trans-71.7111.8179.3-174.20000110F198 F206 V248 Q257 A261F198-C259 HydrophobicContact CB-CB 4.49Å; F198-C259 HydrophobicContact CD1-CB 3.5Å; F198-C259 VanDerWaalsContact CD1-CB 3.5Å; F198-C259 HydrophobicContact CE1-CB 3.81Å; F198-C259 HydrophobicContact CG-CB 3.92Å; F198-C259 HydrophobicContact CZ-CB 4.45Å; F206-C259 HydrophobicContact CZ-CB 4.22Å; V248-C259 HydrophobicContact CG1-CB 3.91Å; Q257-C259 PolarHBondContact O-N 3.2Å; C259-A261 PolarHBondContact SG-O 3.38Å
260S90.7Very high86.9Confident32 Ų3240.8 Ų40.822%0.22422%0.216CC..  trans-84.2-31-176.966.40000112.9L247 D258 L275 K276L247-S260 PolarHBondContact O-N 2.99Å; L247-S260 PolarHBondContact O-OG 2.77Å; D258-S260 PolarHBondContact O-N 3.25Å; S260-L275 PolarHBondContact O-N 3.32Å; S260-L275 VanDerWaalsContact O-N 3.08Å; S260-K276 PolarHBondContact O-N 3.41Å
261A95Very high87.4Confident0 Ų040.5 Ų40.50%021%0.214CC..EExtended strand (participates in β ladder)trans-158.1163.5-175.700000110.2L247 C259 I273 F283 P331L247-A261 WeakPolarHBondContact CA-O 3.43Å; L247-A261 HydrophobicContact CB-CB 4.38Å; L247-A261 WeakPolarHBondContact CB-O 3.32Å; L247-A261 HydrophobicContact CD1-CB 3.98Å; L247-A261 WeakPolarHBondContact CG-O 3.47Å; L247-A261 PolarHBondContact N-O 3.49Å; C259-A261 PolarHBondContact SG-O 3.38Å; A261-I273 WeakPolarHBondContact CA-O 3.34Å; A261-I273 VanDerWaalsContact CB-O 3.27Å; A261-I273 WeakPolarHBondContact CB-O 3.31Å; A261-F283 HydrophobicContact CB-CE2 3.58Å; A261-F283 HydrophobicContact CB-CZ 3.94Å; A261-P331 HydrophobicContact CB-CG 4.5Å
262I95.9Very high88Confident0 Ų038.3 Ų38.30%020%0.2CC..EExtended strand (participates in β ladder)trans-121.2147168.755.6-179000108.8V208 I224 F244 V245 V264 A272 I273 L275V208-I262 HydrophobicContact CG1-CD1 3.58Å; I224-I262 HydrophobicContact CG2-CD1 3.94Å; F244-I262 HydrophobicContact CD2-CG2 4.47Å; V245-I262 CarbonylContact O-C 3.56Å; V245-I262 WeakPolarHBondContact O-CA 3.47Å; I262-V264 HydrophobicContact CD1-CG2 4.12Å; I262-V264 HydrophobicContact CG1-CG2 4.19Å; I262-A272 CarbonylContact O-C 3.6Å; I262-A272 WeakPolarHBondContact O-CA 3.31Å; I262-I273 HydrophobicContact CD1-CB 4.24Å; I262-I273 HydrophobicContact CD1-CD1 3.92Å; I262-I273 HydrophobicContact CG1-CB 3.77Å; I262-I273 HydrophobicContact CG1-CD1 4.18Å; I262-I273 HydrophobicContact CG1-CG1 4.4Å; I262-I273 PolarHBondContact N-O 3.19Å; I262-I273 VanDerWaalsContact N-O 3.15Å; I262-I273 PolarHBondContact O-N 2.91Å; I262-L275 HydrophobicContact CD1-CD2 4.49Å; I262-L275 HydrophobicContact CG2-CD1 3.81Å
263A95.6Very high88.6Confident5 Ų537.1 Ų37.14%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-104.5125166.700000108.7F244 V245 L247 V271 L332F244-A263 CarbonylContact C-O 3.55Å; F244-A263 VanDerWaalsContact CA-O 3.24Å; F244-A263 WeakPolarHBondContact CA-O 3.06Å; V245-A263 HydrophobicContact CG1-CB 3.92Å; V245-A263 PolarHBondContact N-O 3.45Å; V245-A263 PolarHBondContact O-N 2.99Å; L247-A263 HydrophobicContact CD1-CB 4.43Å; L247-A263 HydrophobicContact CD2-CB 4.33Å; A263-V271 CarbonylContact C-O 3.55Å; A263-V271 WeakPolarHBondContact CA-O 3.48Å; A263-L332 HydrophobicContact CB-CD1 4.07Å; A263-L332 HydrophobicContact CB-CD2 4.22Å
264V95.7Very high89.3Confident0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-111.9116-176-172.30000107.8I224 I241 F244 I262 L266 V271 I273I224-V264 HydrophobicContact CD1-CG1 4.33Å; I224-V264 HydrophobicContact CG1-CG1 4.17Å; I224-V264 HydrophobicContact CG1-CG2 4.16Å; I241-V264 HydrophobicContact CG1-CG1 4.3Å; I241-V264 HydrophobicContact CG2-CG1 4.1Å; F244-V264 HydrophobicContact CB-CB 4.35Å; F244-V264 HydrophobicContact CB-CG1 4.36Å; F244-V264 HydrophobicContact CB-CG2 4Å; I262-V264 HydrophobicContact CD1-CG2 4.12Å; I262-V264 HydrophobicContact CG1-CG2 4.19Å; V264-L266 HydrophobicContact CG1-CD2 3.72Å; V264-V271 HydrophobicContact CB-CB 4.49Å; V264-V271 PolarHBondContact N-O 3.3Å; V264-V271 PolarHBondContact O-N 2.82Å; V264-I273 HydrophobicContact CG2-CD1 3.74Å
265L94.6Very high90.1Very high82 Ų8230.8 Ų30.843%0.42916%0.158SC..EExtended strand (participates in β ladder)trans-85.6118.1172.7-178.265.2000108.6V242 D243V242-L265 HydrophobicContact CB-CB 4.49Å; V242-L265 HydrophobicContact CB-CD2 4.19Å; V242-L265 HydrophobicContact CB-CG 4.13Å; V242-L265 WeakPolarHBondContact CB-O 3.45Å; V242-L265 HydrophobicContact CG1-CD2 4.06Å; V242-L265 PolarHBondContact N-O 2.8Å; D243-L265 PolarHBondContact N-O 3.47Å; D243-L265 PolarHBondContact O-N 3.13Å
266L92.7Very high90.6Very high4 Ų432.2 Ų32.22%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-99.9168.4170.4-49-178.4000109.4M237 H239 P240 I241 V264 N268 D269 V271M237-L266 HydrophobicContact CB-CD1 4.14Å; M237-L266 HydrophobicContact CB-CD2 4.09Å; M237-L266 HydrophobicContact CG-CD2 4.08Å; M237-L266 HydrophobicContact SD-CD1 4.35Å; M237-L266 HydrophobicContact SD-CD2 4.38Å; H239-L266 HydrophobicContact CB-CB 3.87Å; H239-L266 HydrophobicContact CB-CD1 4.23Å; P240-L266 CarbonylContact O-C 3.54Å; P240-L266 VanDerWaalsContact O-CA 3.27Å; P240-L266 WeakPolarHBondContact O-CA 2.98Å; I241-L266 HydrophobicContact CB-CD2 4.24Å; I241-L266 HydrophobicContact CG1-CD2 3.62Å; V264-L266 HydrophobicContact CG1-CD2 3.72Å; L266-N268 PolarHBondContact O-N 2.71Å; L266-D269 WeakPolarHBondContact CA-O 3.46Å; L266-D269 HydrophobicContact CB-CB 4.36Å; L266-D269 WeakPolarHBondContact CB-O 3.22Å; L266-D269 HydrophobicContact CD1-CB 4.28Å; L266-D269 PolarHBondContact N-O 3.04Å; L266-V271 HydrophobicContact CD1-CG2 3.84Å; L266-V271 HydrophobicContact CG-CG2 4.46Å
267Q87.7Confident91.2Very high128 Ų12829.7 Ų29.760%0.59816%0.155SC*.SBendtrans-57.9-35.7-178.3-171.6173.3-600113.3P240 V242P240-Q267 PolarHBondContact O-N 3.18Å; V242-Q267 HydrophobicContact CG2-CB 4.48Å
268N82.2Confident91.3Very high84 Ų8437.3 Ų37.345%0.44919%0.191SC..SBendtrans-125.84.3-178-59.2-19.2000113.5L266L266-N268 PolarHBondContact O-N 2.71Å
269D86.9Confident91.5Very high45 Ų4539 Ų3924%0.24121%0.213CC..  trans-149.8163.5-173.9-165.917.7000112.4L266L266-D269 WeakPolarHBondContact CA-O 3.46Å; L266-D269 HydrophobicContact CB-CB 4.36Å; L266-D269 WeakPolarHBondContact CB-O 3.22Å; L266-D269 HydrophobicContact CD1-CB 4.28Å; L266-D269 PolarHBondContact N-O 3.04Å
270L90.7Very high91.6Very high43 Ų4339.2 Ų39.223%0.22522%0.215CC..EExtended strand (participates in β ladder)trans-127115.5175.6179.365.3000109.5N285 M289 W330 L332L270-N285 PolarHBondContact O-ND2 3.27Å; L270-N285 VanDerWaalsContact O-ND2 3.12Å; L270-M289 HydrophobicContact CB-CG 4.5Å; L270-M289 HydrophobicContact CB-SD 4.47Å; L270-W330 HydrophobicContact CD2-CZ2 4.22Å; L270-W330 HydrophobicContact CG-CZ2 4.37Å; L270-L332 HydrophobicContact CD2-CD1 3.92Å
271V92.4Very high91.7Very high21 Ų2139.2 Ų39.213%0.12721%0.214CC..EExtended strand (participates in β ladder)trans-112.2137.7-178.2-178.70000109.1A263 V264 L266 I273 C282A263-V271 CarbonylContact C-O 3.55Å; A263-V271 WeakPolarHBondContact CA-O 3.48Å; V264-V271 HydrophobicContact CB-CB 4.49Å; V264-V271 PolarHBondContact N-O 3.3Å; V264-V271 PolarHBondContact O-N 2.82Å; L266-V271 HydrophobicContact CD1-CG2 3.84Å; L266-V271 HydrophobicContact CG-CG2 4.46Å; V271-I273 HydrophobicContact CG1-CG1 4.14Å; V271-C282 HydrophobicContact CG1-CB 4.2Å
272A94.9Very high91.6Very high0 Ų040.8 Ų40.80%023%0.225CC..EExtended strand (participates in β ladder)trans-111.5141164.700000109.5I262 C282 F283 W330 P331I262-A272 CarbonylContact O-C 3.6Å; I262-A272 WeakPolarHBondContact O-CA 3.31Å; A272-C282 CarbonylContact O-C 3.6Å; A272-C282 VanDerWaalsContact O-CA 3.28Å; A272-C282 WeakPolarHBondContact O-CA 3.4Å; A272-F283 HydrophobicContact CB-CB 4.12Å; A272-F283 HydrophobicContact CB-CD2 3.7Å; A272-F283 HydrophobicContact CB-CE2 4.45Å; A272-F283 HydrophobicContact CB-CG 4.2Å; A272-F283 PolarHBondContact O-N 3.48Å; A272-W330 HydrophobicContact CB-CE3 4.19Å; A272-W330 HydrophobicContact CB-CH2 3.66Å; A272-W330 HydrophobicContact CB-CZ2 4.36Å; A272-W330 HydrophobicContact CB-CZ3 3.56Å; A272-P331 HydrophobicContact CB-CG 3.82Å
273I95.7Very high91.5Very high0 Ų041.3 Ų41.30%023%0.227CC..EExtended strand (participates in β ladder)trans-119125.7-176.5-62162.9000109.1I224 L235 M237 A261 I262 V264 V271 L275 C280I224-I273 HydrophobicContact CB-CD1 4.46Å; I224-I273 HydrophobicContact CG2-CD1 4.4Å; L235-I273 HydrophobicContact CD2-CD1 4.05Å; L235-I273 HydrophobicContact CD2-CG1 4.2Å; L235-I273 HydrophobicContact CD2-CG2 3.8Å; M237-I273 HydrophobicContact CE-CD1 3.75Å; A261-I273 WeakPolarHBondContact CA-O 3.34Å; A261-I273 VanDerWaalsContact CB-O 3.27Å; A261-I273 WeakPolarHBondContact CB-O 3.31Å; I262-I273 HydrophobicContact CD1-CB 4.24Å; I262-I273 HydrophobicContact CD1-CD1 3.92Å; I262-I273 HydrophobicContact CG1-CB 3.77Å; I262-I273 HydrophobicContact CG1-CD1 4.18Å; I262-I273 HydrophobicContact CG1-CG1 4.4Å; I262-I273 PolarHBondContact N-O 3.19Å; I262-I273 VanDerWaalsContact N-O 3.15Å; I262-I273 PolarHBondContact O-N 2.91Å; V264-I273 HydrophobicContact CG2-CD1 3.74Å; V271-I273 HydrophobicContact CG1-CG1 4.14Å; I273-L275 HydrophobicContact CG2-CD2 4.29Å; I273-L275 PolarHBondContact O-N 3.1Å; I273-C280 HydrophobicContact CG2-CB 3.91Å; I273-C280 WeakPolarHBondContact CG2-O 3.29Å
274D94.9Very high91Very high1 Ų144.2 Ų44.21%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-79.8104.2177.9-177.1-2.9000109.8K276 S277 C280 P281 F283 T326 K328D274-K276 PolarHBondContact OD1-N 2.81Å; D274-S277 VanDerWaalsContact CG-OG 3.3Å; D274-S277 PolarHBondContact OD1-N 3.2Å; D274-S277 VanDerWaalsContact OD2-CB 3.29Å; D274-S277 WeakPolarHBondContact OD2-CB 3.26Å; D274-S277 PolarHBondContact OD2-OG 2.88Å; D274-C280 VanDerWaalsContact O-CA 3.29Å; D274-C280 WeakPolarHBondContact O-CA 3.17Å; D274-P281 HydrophobicContact CB-CG 4.36Å; D274-P281 VanDerWaalsContact CB-O 3.27Å; D274-P281 WeakPolarHBondContact CB-O 3.4Å; D274-P281 PolarHBondContact N-O 2.98Å; D274-F283 VanDerWaalsContact CA-CE2 3.43Å; D274-F283 HydrophobicContact CB-CD2 4.19Å; D274-F283 HydrophobicContact CB-CE2 3.58Å; D274-F283 HydrophobicContact CB-CZ 3.89Å; D274-T326 HydrophobicContact CB-CG2 3.94Å; D274-T326 PolarHBondContact OD2-OG1 2.87Å; D274-K328 IonicContact OD1-NZ 3.63Å; D274-K328 PolarHBondContact OD1-NZ 3.21Å; D274-K328 VanDerWaalsContact OD2-CD 3.3Å; D274-K328 WeakPolarHBondContact OD2-CD 3.42Å; D274-K328 VanDerWaalsContact OD2-CE 3.25Å; D274-K328 WeakPolarHBondContact OD2-CE 3.49Å; D274-K328 IonicContact OD2-NZ 3.64Å; D274-K328 PolarHBondContact OD2-NZ 3.08Å
275L93.2Very high90.4Very high0 Ų046 Ų460%025%0.249CC..SBendtrans-76.5-28.2179.1-62.2175.1000110.9F206 V208 V226 R228 S260 I262 I273 S277F206-L275 HydrophobicContact CE2-CD1 3.79Å; F206-L275 HydrophobicContact CZ-CD1 4.09Å; V208-L275 HydrophobicContact CG2-CD1 4.3Å; V208-L275 HydrophobicContact CG2-CD2 4.33Å; V226-L275 HydrophobicContact CG1-CD2 4.3Å; V226-L275 HydrophobicContact CG2-CD2 3.77Å; R228-L275 PolarHBondContact NH2-O 3.16Å; S260-L275 PolarHBondContact O-N 3.32Å; S260-L275 VanDerWaalsContact O-N 3.08Å; I262-L275 HydrophobicContact CD1-CD2 4.49Å; I262-L275 HydrophobicContact CG2-CD1 3.81Å; I273-L275 HydrophobicContact CG2-CD2 4.29Å; I273-L275 PolarHBondContact O-N 3.1Å; L275-S277 VanDerWaalsContact C-N 3.31Å; L275-S277 PolarHBondContact O-N 3.17Å
276K89.7Confident89.5Confident92 Ų9245 Ų4540%0.425%0.248SC..SBendtrans-74.4-20.8-176.3-74.5-176.4173.6-177.60113.6D258 S260 D274D258-K276 VanDerWaalsContact CG-NZ 3.34Å; D258-K276 WeakPolarHBondContact OD1-CE 3.12Å; D258-K276 IonicContact OD1-NZ 2.68Å; D258-K276 PolarHBondContact OD1-NZ 3.15Å; D258-K276 IonicContact OD2-NZ 2.68Å; D258-K276 PolarHBondContact OD2-NZ 2.82Å; S260-K276 PolarHBondContact O-N 3.41Å; D274-K276 PolarHBondContact OD1-N 2.81Å
277S90.5Very high88.5Confident31 Ų3149 Ų4922%0.21726%0.263CS..SBendtrans-90.1146.5178.5-62.50000112.2D274 L275 C280 K328D274-S277 VanDerWaalsContact CG-OG 3.3Å; D274-S277 PolarHBondContact OD1-N 3.2Å; D274-S277 VanDerWaalsContact OD2-CB 3.29Å; D274-S277 WeakPolarHBondContact OD2-CB 3.26Å; D274-S277 PolarHBondContact OD2-OG 2.88Å; L275-S277 VanDerWaalsContact C-N 3.31Å; L275-S277 PolarHBondContact O-N 3.17Å; S277-C280 PolarHBondContact O-N 3.02Å; S277-K328 PolarHBondContact OG-NZ 3.2Å
278E84.9Confident87.3Confident193 Ų19344.9 Ų44.990%0.90225%0.248SC*.THydrogen-bonded Turntrans-61.5140176.7-169.4178.5179.500111.2C280 P281E278-C280 PolarHBondContact O-N 3.31Å; E278-P281 WeakPolarHBondContact O-CD 3.42Å
279G87.1Confident86.4Confident58 Ų5845.9 Ų45.960%0.59825%0.252SS*.THydrogen-bonded Turntrans77.7-2.4-175.500000115.1
280C92.4Very high85.2Confident4 Ų446.3 Ų46.33%0.02725%0.254CS..  trans53.852.4-178.7-58.20000113.9L235 I273 D274 S277 E278L235-C280 HydrophobicContact CD1-CB 4.25Å; L235-C280 HydrophobicContact CD2-CB 4.12Å; L235-C280 WeakPolarHBondContact CD2-O 3.44Å; I273-C280 HydrophobicContact CG2-CB 3.91Å; I273-C280 WeakPolarHBondContact CG2-O 3.29Å; D274-C280 VanDerWaalsContact O-CA 3.29Å; D274-C280 WeakPolarHBondContact O-CA 3.17Å; S277-C280 PolarHBondContact O-N 3.02Å; E278-C280 PolarHBondContact O-N 3.31Å
281P93.7Very high83.8Confident32 Ų3244.7 Ų44.721%0.20825%0.245CC..PPolyproline II helixtrans-62146.6-178.127.2-35.5000112D274 E278D274-P281 HydrophobicContact CB-CG 4.36Å; D274-P281 VanDerWaalsContact CB-O 3.27Å; D274-P281 WeakPolarHBondContact CB-O 3.4Å; D274-P281 PolarHBondContact N-O 2.98Å; E278-P281 WeakPolarHBondContact O-CD 3.42Å
282C92.8Very high82.3Confident34 Ų3444.9 Ų44.923%0.2325%0.245CC..BIsolated β-bridgetrans-71.1152.3174.4-66.10000111.2V271 A272 Y325 T326V271-C282 HydrophobicContact CG1-CB 4.2Å; A272-C282 CarbonylContact O-C 3.6Å; A272-C282 VanDerWaalsContact O-CA 3.28Å; A272-C282 WeakPolarHBondContact O-CA 3.4Å; C282-Y325 HydrophobicContact CB-CD1 4.06Å; C282-Y325 HydrophobicContact CB-CE1 4.2Å; C282-Y325 CarbonylContact O-C 3.39Å; C282-Y325 WeakPolarHBondContact O-CA 3.45Å; C282-Y325 WeakPolarHBondContact O-CB 3.5Å; C282-Y325 WeakPolarHBondContact O-CD1 3.42Å; C282-T326 PolarHBondContact O-N 3.29Å
283F92.5Very high81Confident11 Ų1150.8 Ų50.85%0.04828%0.276CS..BIsolated β-bridgetrans-76.9142.5165.8-66.7-102000109.9A261 A272 D274 N285 Y325 T326 K328 K329 W330 P331A261-F283 HydrophobicContact CB-CE2 3.58Å; A261-F283 HydrophobicContact CB-CZ 3.94Å; A272-F283 HydrophobicContact CB-CB 4.12Å; A272-F283 HydrophobicContact CB-CD2 3.7Å; A272-F283 HydrophobicContact CB-CE2 4.45Å; A272-F283 HydrophobicContact CB-CG 4.2Å; A272-F283 PolarHBondContact O-N 3.48Å; D274-F283 VanDerWaalsContact CA-CE2 3.43Å; D274-F283 HydrophobicContact CB-CD2 4.19Å; D274-F283 HydrophobicContact CB-CE2 3.58Å; D274-F283 HydrophobicContact CB-CZ 3.89Å; F283-N285 PolarHBondContact O-N 3.37Å; F283-N285 VanDerWaalsContact O-N 3.11Å; F283-Y325 WeakPolarHBondContact O-CD1 3.17Å; F283-T326 HydrophobicContact CB-CG2 4.08Å; F283-T326 HydrophobicContact CD1-CG2 3.38Å; F283-T326 HydrophobicContact CD2-CG2 4.01Å; F283-T326 HydrophobicContact CE1-CG2 3.77Å; F283-T326 HydrophobicContact CE2-CG2 4.34Å; F283-T326 HydrophobicContact CG-CG2 3.53Å; F283-T326 HydrophobicContact CZ-CG2 4.23Å; F283-K328 HydrophobicContact CD1-CB 4.25Å; F283-K328 HydrophobicContact CE1-CB 3.63Å; F283-K328 HydrophobicContact CZ-CB 4.49Å; F283-K329 VanDerWaalsContact CD1-O 3.27Å; F283-K329 WeakPolarHBondContact CD1-O 3.35Å; F283-K329 WeakPolarHBondContact CE1-O 3.45Å; F283-W330 HydrophobicContact CB-CE3 3.57Å; F283-W330 HydrophobicContact CB-CZ3 3.82Å; F283-P331 HydrophobicContact CD1-CG 4.38Å; F283-P331 HydrophobicContact CD2-CG 4.22Å; F283-P331 HydrophobicContact CE1-CB 4.47Å; F283-P331 HydrophobicContact CE1-CG 4.27Å; F283-P331 HydrophobicContact CE2-CG 4.11Å; F283-P331 HydrophobicContact CG-CG 4.35Å; F283-P331 HydrophobicContact CZ-CB 4.4Å; F283-P331 HydrophobicContact CZ-CG 4.15Å
284E86.6Confident80.3Confident65 Ų6551.6 Ų51.630%0.30428%0.282SS..  trans-68.3109.5171.5-174.6175-14700107.7P286 K321 Y325E284-P286 VanDerWaalsContact O-CD 3.26Å; E284-P286 WeakPolarHBondContact O-CD 3.37Å; E284-K321 IonicContact OE2-NZ 3.75Å; E284-K321 PolarHBondContact OE2-NZ 3.04Å; E284-Y325 VanDerWaalsContact CA-CD1 3.49Å; E284-Y325 HydrophobicContact CB-CD1 4.06Å; E284-Y325 HydrophobicContact CB-CG 3.94Å
285N83.2Confident79.8Confident37 Ų3754.6 Ų54.620%0.19830%0.302CS..  trans-63.5114.8174.3-173.1-9.9000108.2L270 F283 Y287 W330L270-N285 PolarHBondContact O-ND2 3.27Å; L270-N285 VanDerWaalsContact O-ND2 3.12Å; F283-N285 PolarHBondContact O-N 3.37Å; F283-N285 VanDerWaalsContact O-N 3.11Å; N285-Y287 PolarHBondContact ND2-O 2.91Å; N285-Y287 PolarHBondContact O-N 3.02Å; N285-Y287 WeakPolarHBondContact OD1-CB 3.36Å; N285-Y287 WeakPolarHBondContact OD1-CD2 3.42Å; N285-Y287 PolarHBondContact OD1-N 2.77Å; N285-Y287 PolarHBondContact OD1-O 2.87Å; N285-Y287 VanDerWaalsContact OD1-O 3.09Å; N285-W330 HydrophobicContact CB-CE3 4.33Å; N285-W330 HydrophobicContact CB-CH2 3.98Å; N285-W330 HydrophobicContact CB-CZ3 3.8Å
286P75Confident79.6Confident62 Ų6255 Ų5540%0.40330%0.304SS..SBendtrans-75.2-13.7-177.932.6-34.8000111.7E284 W330E284-P286 VanDerWaalsContact O-CD 3.26Å; E284-P286 WeakPolarHBondContact O-CD 3.37Å; P286-W330 VanDerWaalsContact CD-CG 3.43Å; P286-W330 HydrophobicContact CG-CB 3.9Å; P286-W330 HydrophobicContact CG-CD2 4.41Å; P286-W330 HydrophobicContact CG-CG 3.84Å
287Y72.1Confident79.6Confident87 Ų8753.1 Ų53.134%0.34130%0.301SS..SBendtrans-101.3131.8-179.8-44.5-67.9000108.5N285 M289 W330 W337N285-Y287 PolarHBondContact ND2-O 2.91Å; N285-Y287 PolarHBondContact O-N 3.02Å; N285-Y287 WeakPolarHBondContact OD1-CB 3.36Å; N285-Y287 WeakPolarHBondContact OD1-CD2 3.42Å; N285-Y287 PolarHBondContact OD1-N 2.77Å; N285-Y287 PolarHBondContact OD1-O 2.87Å; N285-Y287 VanDerWaalsContact OD1-O 3.09Å; Y287-M289 PolarHBondContact O-N 2.77Å; Y287-W330 AromaticContact CE2-CD1 3.77Å; Y287-W330 AromaticContact CE2-NE1 3.68Å; Y287-W337 HydrophobicContact CE1-CZ2 4.45Å
288S62.9Low79.6Confident42 Ų4252.1 Ų52.129%0.29429%0.293SS..  trans-84.7108.6168.3-56.70000106.8D290S288-D290 VanDerWaalsContact C-N 3.27Å; S288-D290 WeakPolarHBondContact CB-O 3.46Å
289M62.8Low80Confident106 Ų10643.1 Ų43.152%0.52225%0.252SS..SBendtrans-60.4-42.3176.7-72.7-62.6-61.200110.6L270 Y287L270-M289 HydrophobicContact CB-CG 4.5Å; L270-M289 HydrophobicContact CB-SD 4.47Å; Y287-M289 PolarHBondContact O-N 2.77Å
290D61.3Low80.3Confident54 Ų5441.1 Ų41.129%0.28923%0.229SC..SBendtrans-106.6142.1167-71.5-52000110.8S288 H292S288-D290 VanDerWaalsContact C-N 3.27Å; S288-D290 WeakPolarHBondContact CB-O 3.46Å; D290-H292 PolarHBondContact O-N 2.8Å
291I62.4Low80.4Confident8 Ų842 Ų424%0.04123%0.232CC..SBendtrans-52.6-40167.3-62.8170.6000108.8V296 T350 K358 W360 L367 M828 T832 L834I291-V296 HydrophobicContact CG2-CG2 3.94Å; I291-T350 HydrophobicContact CG2-CG2 4.25Å; I291-K358 PolarHBondContact O-NZ 2.85Å; I291-W360 HydrophobicContact CG2-CH2 4.45Å; I291-W360 HydrophobicContact CG2-CZ2 3.74Å; I291-W360 VanDerWaalsContact O-CH2 3.28Å; I291-W360 WeakPolarHBondContact O-CH2 3.27Å; I291-W360 WeakPolarHBondContact O-CZ2 3.33Å; I291-L367 HydrophobicContact CG1-CD2 4.16Å; I291-M828 HydrophobicContact CD1-CE 3.82Å; I291-M828 HydrophobicContact CD1-SD 4.37Å; I291-T832 WeakPolarHBondContact CD1-O 3.42Å; I291-T832 VanDerWaalsContact CG1-O 3.24Å; I291-T832 WeakPolarHBondContact CG1-O 3.4Å; I291-L834 HydrophobicContact CD1-CB 4.14Å; I291-L834 HydrophobicContact CD1-CD1 3.6Å; I291-L834 HydrophobicContact CD1-CG 3.54Å; I291-L834 HydrophobicContact CG1-CD1 4.44Å
292H61Low80.3Confident26 Ų2642.6 Ų42.612%0.1223%0.234CC..  trans-173.2158.8166.8-161.3-153.4000113.3D290 S294 H352 D354 S356 K358D290-H292 PolarHBondContact O-N 2.8Å; H292-S294 VanDerWaalsContact C-N 3.27Å; H292-S294 WeakPolarHBondContact CB-O 3.11Å; H292-S294 WeakPolarHBondContact ND1-CB 3.46Å; H292-S294 PolarHBondContact ND1-N 3.47Å; H292-S294 PolarHBondContact ND1-O 3.19Å; H292-S294 PolarHBondContact O-N 3.23Å; H292-H352 WeakPolarHBondContact CB-CE1 3.41Å; H292-H352 AromaticContact CG-CE1 3.99Å; H292-H352 AromaticContact CG-ND1 3.91Å; H292-H352 AromaticContact ND1-CE1 3.93Å; H292-H352 AromaticContact ND1-CG 3.69Å; H292-H352 AromaticContact ND1-ND1 3.47Å; H292-H352 PolarHBondContact ND1-ND1 2.86Å; H292-D354 IonicContact CE1-OD1 2.75Å; H292-D354 IonicContact CE1-OD2 3.53Å; H292-D354 PolarHBondContact CE1-OD2 2.86Å; H292-D354 VanDerWaalsContact CE1-OD2 3.3Å; H292-D354 IonicContact ND1-OD1 2.77Å; H292-S356 PolarHBondContact CE1-OG 2.85Å; H292-S356 VanDerWaalsContact CE1-OG 3.25Å; H292-K358 VanDerWaalsContact CD2-CE 3.45Å; H292-K358 WeakPolarHBondContact CD2-CE 3.25Å; H292-K358 PolarHBondContact CD2-NZ 3.05Å; H292-K358 VanDerWaalsContact CG-NZ 3.27Å
293D66.5Low80.2Confident123 Ų12341.4 Ų41.466%0.65823%0.226SC*.SBendtrans-63.1-32.5167.4-44.1-40.4000112.4
294S81.8Confident79.8Confident17 Ų1743.7 Ų43.712%0.11924%0.238CC..SBendtrans-92129.7175.7161.80000110.9H292 H352 V353 D354H292-S294 VanDerWaalsContact C-N 3.27Å; H292-S294 WeakPolarHBondContact CB-O 3.11Å; H292-S294 WeakPolarHBondContact ND1-CB 3.46Å; H292-S294 PolarHBondContact ND1-N 3.47Å; H292-S294 PolarHBondContact ND1-O 3.19Å; H292-S294 PolarHBondContact O-N 3.23Å; S294-H352 PolarHBondContact O-ND1 2.81Å; S294-V353 WeakPolarHBondContact OG-CB 3.28Å; S294-V353 PolarHBondContact OG-N 3.45Å; S294-D354 PolarHBondContact OG-N 2.82Å
295P84.6Confident80.1Confident64 Ų6440.6 Ų40.642%0.41622%0.224SC..PPolyproline II helixtrans-51.8145.6-179-26.132.8000113.7H352 V353P295-H352 VanDerWaalsContact O-CA 3.31Å; P295-H352 WeakPolarHBondContact O-CA 3.31Å; P295-V353 HydrophobicContact CB-CG2 3.94Å; P295-V353 HydrophobicContact CG-CG2 4.24Å; P295-V353 PolarHBondContact O-N 3.28Å; P295-V353 VanDerWaalsContact O-N 3.13Å
296V88.2Confident80.4Confident10 Ų1039.6 Ų39.66%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-76.6127.4171.2179.10000109.1I291 C298 T350 G351 M828I291-V296 HydrophobicContact CG2-CG2 3.94Å; V296-C298 WeakPolarHBondContact CG1-O 3.3Å; V296-T350 HydrophobicContact CG1-CG2 4.34Å; V296-T350 HydrophobicContact CG2-CG2 4.37Å; V296-G351 CarbonylContact C-O 3.52Å; V296-G351 WeakPolarHBondContact CA-O 3.39Å; V296-M828 HydrophobicContact CB-CE 4Å; V296-M828 HydrophobicContact CB-SD 4.41Å; V296-M828 HydrophobicContact CG1-SD 4.29Å; V296-M828 HydrophobicContact CG2-CE 3.84Å; V296-M828 HydrophobicContact CG2-SD 4.43Å
297T90.2Very high81.1Confident52 Ų5239.9 Ų39.932%0.31922%0.217SC..EExtended strand (participates in β ladder)trans-104-30.3-179.751.90000112.8G351 V353 I395T297-G351 PolarHBondContact N-O 3.38Å; T297-G351 PolarHBondContact OG1-O 3.01Å; T297-V353 HydrophobicContact CG2-CB 4.36Å; T297-V353 HydrophobicContact CG2-CG2 3.41Å; T297-V353 VanDerWaalsContact CG2-CG2 3.41Å; T297-I395 WeakPolarHBondContact CB-O 3.41Å; T297-I395 PolarHBondContact OG1-O 3.36Å
298C91Very high82Confident9 Ų938.1 Ų38.16%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-153.8160174.272.20000109.7V296 G351 T396V296-C298 WeakPolarHBondContact CG1-O 3.3Å; C298-G351 PolarHBondContact O-N 3.44Å; C298-T396 WeakPolarHBondContact CB-O 2.99Å
299C91.6Very high83.5Confident5 Ų536.2 Ų36.23%0.03420%0.2CC..EExtended strand (participates in β ladder)trans-137161174.760.30000111M348 I349 R818C299-M348 HydrophobicContact CB-SD 4.26Å; C299-I349 CarbonylContact C-O 3.59Å; C299-I349 WeakPolarHBondContact CA-O 3.5Å; C299-I349 WeakPolarHBondContact CB-O 3.35Å; C299-R818 PolarHBondContact O-NH1 2.83Å; C299-R818 PolarHBondContact O-NH2 2.99Å; C299-R818 VanDerWaalsContact O-NH2 3.13Å
300A93.5Very high85Confident15 Ų1531.8 Ų31.812%0.12418%0.178CC..EExtended strand (participates in β ladder)trans-130.4134.6167.500000108.2M348 I349 I398A300-M348 CarbonylContact O-C 3.57Å; A300-M348 WeakPolarHBondContact O-CA 3.16Å; A300-I349 HydrophobicContact CB-CB 4.3Å; A300-I349 PolarHBondContact N-O 3.04Å; A300-I349 PolarHBondContact O-N 3.04Å; A300-I398 HydrophobicContact CB-CB 4.4Å; A300-I398 HydrophobicContact CB-CG2 4.09Å
301Y94.3Very high86.5Confident22 Ų2236.1 Ų36.19%0.08619%0.19CC..EExtended strand (participates in β ladder)trans-122.1131.6-176.8174.8-129000110.2E346 M348 F362 R818 V826Y301-E346 HydrophobicContact CE2-CB 4.3Å; Y301-E346 VanDerWaalsContact CE2-OE2 3.31Å; Y301-E346 WeakPolarHBondContact CE2-OE2 3.44Å; Y301-E346 VanDerWaalsContact OH-CD 3.23Å; Y301-E346 PolarHBondContact OH-OE2 2.73Å; Y301-M348 HydrophobicContact CD2-CE 3.65Å; Y301-M348 HydrophobicContact CD2-SD 4.39Å; Y301-M348 HydrophobicContact CE2-CE 4.41Å; Y301-M348 HydrophobicContact CG-CE 4.04Å; Y301-F362 HydrophobicContact CD2-CD1 4.41Å; Y301-F362 AromaticContact CE2-CD1 3.85Å; Y301-F362 HydrophobicContact CE2-CD1 3.85Å; Y301-F362 HydrophobicContact CE2-CE1 4.45Å; Y301-R818 HydrophobicContact CD1-CB 4.5Å; Y301-V826 HydrophobicContact CD1-CG2 4.09Å; Y301-V826 HydrophobicContact CD2-CG2 4.22Å; Y301-V826 HydrophobicContact CE1-CG2 3.98Å; Y301-V826 HydrophobicContact CE2-CG2 4.14Å; Y301-V826 HydrophobicContact CG-CG2 4.21Å
302L93Very high88Confident46 Ų4635.8 Ų35.824%0.24119%0.189CC..EExtended strand (participates in β ladder)trans-126.3109.3176.9-65.1169.5000109C305 E346 L347 L400 P402L302-C305 HydrophobicContact CB-CB 4.27Å; L302-E346 CarbonylContact O-C 3.41Å; L302-E346 VanDerWaalsContact O-CA 3.29Å; L302-E346 WeakPolarHBondContact O-CA 3.37Å; L302-L347 HydrophobicContact CB-CB 4.27Å; L302-L347 HydrophobicContact CD1-CB 4.45Å; L302-L347 HydrophobicContact CD1-CD2 4.13Å; L302-L347 PolarHBondContact N-O 3.28Å; L302-L347 PolarHBondContact O-N 3.27Å; L302-L400 HydrophobicContact CD1-CD2 3.53Å; L302-L400 HydrophobicContact CD1-CG 4.4Å; L302-P402 HydrophobicContact CD1-CG 3.67Å; L302-P402 HydrophobicContact CD2-CG 4.09Å
303S89.1Confident89.6Confident9 Ų934.5 Ų34.56%0.06318%0.183CC..SBendtrans-83.6-8.8-178.362.30000114.7H821S303-H821 WeakPolarHBondContact OG-CB 3.38Å; S303-H821 PolarHBondContact OG-N 3.4Å; S303-H821 PolarHBondContact OG-O 3.06Å
304D85.6Confident90.9Very high59 Ų5934.8 Ų34.832%0.31618%0.176SC..SBendtrans-139.162.7178.6-17716.4000108.3V697D304-V697 WeakPolarHBondContact OD2-CB 3.47Å; D304-V697 VanDerWaalsContact OD2-CG2 3.28Å; D304-V697 WeakPolarHBondContact OD2-CG2 3.48Å
305C91.6Very high91.4Very high0 Ų035.9 Ų35.90%019%0.186CC..  trans-80.1128.7-174.8177.90000110.5L302 I307 I310 P345 L347L302-C305 HydrophobicContact CB-CB 4.27Å; C305-I307 PolarHBondContact O-N 3.45Å; C305-I307 VanDerWaalsContact O-N 3.14Å; C305-I310 HydrophobicContact CB-CD1 4.47Å; C305-P345 WeakPolarHBondContact CB-O 3.37Å; C305-P345 PolarHBondContact N-O 3.45Å; C305-P345 WeakPolarHBondContact O-CG 3.03Å; C305-L347 HydrophobicContact CB-CB 3.8Å
306P90.5Very high91.8Very high16 Ų1633.1 Ų33.110%0.10417%0.167CC..  trans-52.7126176.2-26.234.2000112.3D308 L309 I310 P402 L698P306-D308 PolarHBondContact O-N 3.4Å; P306-D308 VanDerWaalsContact O-N 3.1Å; P306-L309 HydrophobicContact CB-CB 4.44Å; P306-L309 WeakPolarHBondContact O-CA 3.47Å; P306-L309 VanDerWaalsContact O-CB 3.3Å; P306-L309 WeakPolarHBondContact O-CB 3.3Å; P306-L309 PolarHBondContact O-N 3.2Å; P306-I310 PolarHBondContact O-N 2.75Å; P306-P402 HydrophobicContact CG-CB 4.18Å; P306-L698 HydrophobicContact CG-CD1 4.21Å
307I89.7Confident91.9Very high67 Ų6733.2 Ų33.234%0.34417%0.17SC..Hα-helixtrans-57.4-31.6-176.9-169.662.5000112.6C305 L309 I310 R311 P345C305-I307 PolarHBondContact O-N 3.45Å; C305-I307 VanDerWaalsContact O-N 3.14Å; I307-L309 VanDerWaalsContact C-N 3.28Å; I307-L309 PolarHBondContact O-N 2.8Å; I307-I310 PolarHBondContact O-N 3.27Å; I307-R311 WeakPolarHBondContact O-CG 3.34Å; I307-R311 PolarHBondContact O-N 3.19Å; I307-P345 HydrophobicContact CB-CG 4.29Å; I307-P345 HydrophobicContact CD1-CB 4.08Å; I307-P345 HydrophobicContact CD1-CG 4.24Å
308D91.6Very high91.7Very high51 Ų5133 Ų3327%0.27317%0.171SC..Hα-helixtrans-70.5-24.3178.2-62.4-38.5000112.9P306 R311 A312 R405P306-D308 PolarHBondContact O-N 3.4Å; P306-D308 VanDerWaalsContact O-N 3.1Å; D308-R311 IonicContact OD1-NH1 3.97Å; D308-R311 PolarHBondContact OD1-NH1 2.92Å; D308-A312 WeakPolarHBondContact O-CB 3.47Å; D308-A312 PolarHBondContact O-N 2.83Å; D308-R405 PolarHBondContact O-NH2 3.28Å
309L94Very high91.4Very high1 Ų140.7 Ų40.71%0.00520%0.203CC..Hα-helixtrans-70.2-46.9170.4178.456.9000110.4P306 I307 R311 A312 L313 L347 L400 P402 R405P306-L309 HydrophobicContact CB-CB 4.44Å; P306-L309 WeakPolarHBondContact O-CA 3.47Å; P306-L309 VanDerWaalsContact O-CB 3.3Å; P306-L309 WeakPolarHBondContact O-CB 3.3Å; P306-L309 PolarHBondContact O-N 3.2Å; I307-L309 VanDerWaalsContact C-N 3.28Å; I307-L309 PolarHBondContact O-N 2.8Å; L309-R311 VanDerWaalsContact C-N 3.34Å; L309-R311 PolarHBondContact O-N 2.81Å; L309-A312 PolarHBondContact O-N 2.68Å; L309-A312 VanDerWaalsContact O-N 3.16Å; L309-L313 HydrophobicContact CD1-CD1 4.11Å; L309-L313 HydrophobicContact CD1-CG 4.1Å; L309-L313 HydrophobicContact CG-CD1 4.06Å; L309-L313 HydrophobicContact CG-CG 4.49Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.47Å; L309-L313 PolarHBondContact O-N 3.38Å; L309-L347 HydrophobicContact CD2-CD2 4.06Å; L309-L400 HydrophobicContact CD2-CD2 4.12Å; L309-P402 HydrophobicContact CD2-CB 4.05Å; L309-R405 HydrophobicContact CD1-CG 4.03Å
310I93.3Very high90.9Very high13 Ų1343.7 Ų43.77%0.06722%0.217CC..Hα-helixtrans-55.4-50.3175.2-60.3-63.7000110.4C305 P306 I307 A312 L313 Y314 P345 L347 L370C305-I310 HydrophobicContact CB-CD1 4.47Å; P306-I310 PolarHBondContact O-N 2.75Å; I307-I310 PolarHBondContact O-N 3.27Å; I310-A312 VanDerWaalsContact C-N 3.33Å; I310-A312 PolarHBondContact O-N 3.46Å; I310-L313 PolarHBondContact O-N 3.23Å; I310-Y314 WeakPolarHBondContact O-CB 3.38Å; I310-Y314 PolarHBondContact O-N 2.98Å; I310-P345 HydrophobicContact CG1-CB 4.37Å; I310-L347 HydrophobicContact CD1-CB 4.03Å; I310-L347 HydrophobicContact CD1-CD1 4Å; I310-L347 HydrophobicContact CD1-CG 4.47Å; I310-L370 HydrophobicContact CD1-CD1 3.81Å; I310-L370 HydrophobicContact CG2-CD1 4.02Å; I310-L370 HydrophobicContact CG2-CD2 4.4Å
311R93.4Very high89.7Confident146 Ų14649.1 Ų49.155%0.55124%0.238SC*.Hα-helixtrans-60-41.2177.3-70170.8178.6170.5-5.4112.7I307 D308 L309 A315I307-R311 WeakPolarHBondContact O-CG 3.34Å; I307-R311 PolarHBondContact O-N 3.19Å; D308-R311 IonicContact OD1-NH1 3.97Å; D308-R311 PolarHBondContact OD1-NH1 2.92Å; L309-R311 VanDerWaalsContact C-N 3.34Å; L309-R311 PolarHBondContact O-N 2.81Å; R311-A315 WeakPolarHBondContact O-CB 3.25Å; R311-A315 PolarHBondContact O-N 2.85Å
312A94.2Very high88.5Confident0 Ų054.8 Ų54.80%026%0.259CS..Hα-helixtrans-65.9-43.6178.900000111.8D308 L309 I310 A315 V316 R405 F421D308-A312 WeakPolarHBondContact O-CB 3.47Å; D308-A312 PolarHBondContact O-N 2.83Å; L309-A312 PolarHBondContact O-N 2.68Å; L309-A312 VanDerWaalsContact O-N 3.16Å; I310-A312 VanDerWaalsContact C-N 3.33Å; I310-A312 PolarHBondContact O-N 3.46Å; A312-A315 PolarHBondContact O-N 2.88Å; A312-V316 WeakPolarHBondContact O-CG2 3.35Å; A312-V316 PolarHBondContact O-N 3.09Å; A312-R405 VanDerWaalsContact CB-NH1 3.3Å; A312-F421 HydrophobicContact CB-CE1 3.79Å; A312-F421 HydrophobicContact CB-CZ 3.67Å
313L95.1Very high87.5Confident0 Ų064.2 Ų64.20%029%0.291CS..Hα-helixtrans-62-46.7175.6-67.6168.9000111.2L309 I310 A315 V316 G317 L347 F359 L370 Y371 F421 Y494L309-L313 HydrophobicContact CD1-CD1 4.11Å; L309-L313 HydrophobicContact CD1-CG 4.1Å; L309-L313 HydrophobicContact CG-CD1 4.06Å; L309-L313 HydrophobicContact CG-CG 4.49Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.47Å; L309-L313 PolarHBondContact O-N 3.38Å; I310-L313 PolarHBondContact O-N 3.23Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 2.89Å; L313-V316 VanDerWaalsContact O-CG2 3.25Å; L313-V316 WeakPolarHBondContact O-CG2 3.38Å; L313-V316 PolarHBondContact O-N 3.48Å; L313-G317 PolarHBondContact O-N 3.41Å; L313-L347 HydrophobicContact CD1-CD1 4.08Å; L313-L347 HydrophobicContact CD1-CD2 4.07Å; L313-F359 HydrophobicContact CD1-CB 4.33Å; L313-F359 HydrophobicContact CD1-CD1 3.82Å; L313-F359 HydrophobicContact CD1-CG 4.36Å; L313-F359 HydrophobicContact CD2-CD1 4.16Å; L313-F359 HydrophobicContact CD2-CG 4.4Å; L313-L370 HydrophobicContact CB-CB 4.01Å; L313-L370 HydrophobicContact CB-CD1 4.48Å; L313-L370 HydrophobicContact CD1-CD1 4.46Å; L313-Y371 HydrophobicContact CD2-CD1 4.28Å; L313-Y371 HydrophobicContact CD2-CG 4.29Å; L313-F421 HydrophobicContact CD2-CD2 4.45Å; L313-F421 HydrophobicContact CD2-CE2 4.04Å; L313-Y494 HydrophobicContact CD2-CD2 4.4Å; L313-Y494 HydrophobicContact CD2-CE2 3.68Å
314Y92.7Very high87Confident129 Ų12967.1 Ų67.151%0.50632%0.323SS..Hα-helixtrans-57-44.9175.2-178.5-95.8000112.4I310 V316 G317 S318 L370I310-Y314 WeakPolarHBondContact O-CB 3.38Å; I310-Y314 PolarHBondContact O-N 2.98Å; Y314-V316 VanDerWaalsContact C-N 3.33Å; Y314-V316 PolarHBondContact O-N 2.91Å; Y314-G317 PolarHBondContact O-N 2.89Å; Y314-S318 WeakPolarHBondContact O-CB 3.46Å; Y314-S318 PolarHBondContact O-N 3.15Å; Y314-S318 PolarHBondContact O-OG 3.2Å; Y314-L370 HydrophobicContact CD2-CD2 4.27Å
315A92.2Very high87.1Confident40 Ų4068.3 Ų68.333%0.33132%0.323SS..Hα-helixtrans-64-33.6-178.700000113.6R311 A312 L313 S318R311-A315 WeakPolarHBondContact O-CB 3.25Å; R311-A315 PolarHBondContact O-N 2.85Å; A312-A315 PolarHBondContact O-N 2.88Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 2.89Å; A315-S318 PolarHBondContact O-OG 3.07Å
316V93Very high87Confident5 Ų569.1 Ų69.13%0.0333%0.328CS..Hα-helixtrans-86.5-39.2176.4-63.20000112.2A312 L313 Y314 K319 Y371 F421 R423A312-V316 WeakPolarHBondContact O-CG2 3.35Å; A312-V316 PolarHBondContact O-N 3.09Å; L313-V316 VanDerWaalsContact O-CG2 3.25Å; L313-V316 WeakPolarHBondContact O-CG2 3.38Å; L313-V316 PolarHBondContact O-N 3.48Å; Y314-V316 VanDerWaalsContact C-N 3.33Å; Y314-V316 PolarHBondContact O-N 2.91Å; V316-K319 WeakPolarHBondContact O-CB 3.32Å; V316-K319 PolarHBondContact O-N 2.7Å; V316-Y371 HydrophobicContact CG2-CD2 3.69Å; V316-Y371 HydrophobicContact CG2-CE2 3.97Å; V316-Y371 HydrophobicContact CG2-CG 4.41Å; V316-F421 HydrophobicContact CG1-CE2 4.45Å; V316-F421 HydrophobicContact CG1-CZ 3.95Å; V316-F421 HydrophobicContact CG2-CE2 3.86Å; V316-F421 HydrophobicContact CG2-CZ 4.05Å; V316-R423 HydrophobicContact CG1-CG 4.4Å
317G90.5Very high86.9Confident12 Ų1273.6 Ų73.612%0.12437%0.367CS..Hα-helixtrans-76.2-26.1-177.800000114.1L313 Y314 K319 Q320 L370L313-G317 PolarHBondContact O-N 3.41Å; Y314-G317 PolarHBondContact O-N 2.89Å; G317-K319 PolarHBondContact O-N 2.56Å; G317-K319 VanDerWaalsContact O-N 3.12Å; G317-Q320 WeakPolarHBondContact O-CA 3.43Å; G317-Q320 VanDerWaalsContact O-CB 3.31Å; G317-Q320 WeakPolarHBondContact O-CB 3.24Å; G317-Q320 PolarHBondContact O-N 2.88Å; G317-L370 VanDerWaalsContact CA-O 3.3Å; G317-L370 WeakPolarHBondContact CA-O 3.34Å
318S85.9Confident86.9Confident47 Ų4774.9 Ų74.933%0.32937%0.37SS..G310 helixtrans-60.4-19.6169.555.30000113.3Y314 A315 K321Y314-S318 WeakPolarHBondContact O-CB 3.46Å; Y314-S318 PolarHBondContact O-N 3.15Å; Y314-S318 PolarHBondContact O-OG 3.2Å; A315-S318 PolarHBondContact O-OG 3.07Å; S318-K321 WeakPolarHBondContact O-CG 3.4Å
319K84.7Confident86.8Confident172 Ų17281.7 Ų81.775%0.74840%0.397SS*.G310 helixtrans-83.5-10.3172.2-56.2-179.7-178.7-179.70113.4V316 G317 K321V316-K319 WeakPolarHBondContact O-CB 3.32Å; V316-K319 PolarHBondContact O-N 2.7Å; G317-K319 PolarHBondContact O-N 2.56Å; G317-K319 VanDerWaalsContact O-N 3.12Å; K319-K321 VanDerWaalsContact C-N 3.32Å
320Q81.7Confident86.6Confident67 Ų6782.9 Ų82.931%0.31340%0.402SS..G310 helixtrans-9011.6178.7-58.6-177.6-40.100113.5G317 R322 Y371 R372G317-Q320 WeakPolarHBondContact O-CA 3.43Å; G317-Q320 VanDerWaalsContact O-CB 3.31Å; G317-Q320 WeakPolarHBondContact O-CB 3.24Å; G317-Q320 PolarHBondContact O-N 2.88Å; Q320-R322 PolarHBondContact O-N 3.02Å; Q320-Y371 VanDerWaalsContact NE2-CE2 3.27Å; Q320-R372 PolarHBondContact NE2-O 3.34Å; Q320-R372 PolarHBondContact OE1-O 3.33Å
321K68.4Low86.5Confident130 Ų13084.2 Ų84.257%0.56541%0.411SS*.PPolyproline II helixtrans-51.6138.4179.7-78.5178.1167.7-105.40111.5E284 S318 K319E284-K321 IonicContact OE2-NZ 3.75Å; E284-K321 PolarHBondContact OE2-NZ 3.04Å; S318-K321 WeakPolarHBondContact O-CG 3.4Å; K319-K321 VanDerWaalsContact C-N 3.32Å
322R69.2Low86.2Confident140 Ų14079.9 Ų79.953%0.52840%0.399SS..PPolyproline II helixtrans-66.5141.3177.3-65.9-176.7171.2-178.3-2109Q320 Y325Q320-R322 PolarHBondContact O-N 3.02Å; R322-Y325 HydrophobicContact CB-CD2 3.84Å; R322-Y325 HydrophobicContact CB-CE2 3.3Å; R322-Y325 WeakPolarHBondContact CD-OH 3.47Å; R322-Y325 HydrophobicContact CG-CE2 4.21Å; R322-Y325 PolarHBondContact NH1-OH 2.93Å
323R71.3Confident85.5Confident245 Ų24585 Ų8593%0.92543%0.43SS*.SBendtrans-82.6153.5177.2-64.5-177.3178.6-173.4-1.1109.9
324G79.5Confident84.6Confident70 Ų7088.3 Ų88.372%0.72246%0.464SS*.SBendtrans98.20.8174.700000116
325Y86.2Confident83.8Confident83 Ų8382.9 Ų82.933%0.32545%0.447SS..  trans-92.6155.3176.5-64.3-86.6000112.1C282 F283 E284 R322C282-Y325 HydrophobicContact CB-CD1 4.06Å; C282-Y325 HydrophobicContact CB-CE1 4.2Å; C282-Y325 CarbonylContact O-C 3.39Å; C282-Y325 WeakPolarHBondContact O-CA 3.45Å; C282-Y325 WeakPolarHBondContact O-CB 3.5Å; C282-Y325 WeakPolarHBondContact O-CD1 3.42Å; F283-Y325 WeakPolarHBondContact O-CD1 3.17Å; E284-Y325 VanDerWaalsContact CA-CD1 3.49Å; E284-Y325 HydrophobicContact CB-CD1 4.06Å; E284-Y325 HydrophobicContact CB-CG 3.94Å; R322-Y325 HydrophobicContact CB-CD2 3.84Å; R322-Y325 HydrophobicContact CB-CE2 3.3Å; R322-Y325 WeakPolarHBondContact CD-OH 3.47Å; R322-Y325 HydrophobicContact CG-CE2 4.21Å; R322-Y325 PolarHBondContact NH1-OH 2.93Å
326T90.9Very high82.9Confident17 Ų1784.3 Ų84.310%0.10445%0.452CS..BIsolated β-bridgetrans-62.9146169.7-176.50000110.7D274 C282 F283 K328D274-T326 HydrophobicContact CB-CG2 3.94Å; D274-T326 PolarHBondContact OD2-OG1 2.87Å; C282-T326 PolarHBondContact O-N 3.29Å; F283-T326 HydrophobicContact CB-CG2 4.08Å; F283-T326 HydrophobicContact CD1-CG2 3.38Å; F283-T326 HydrophobicContact CD2-CG2 4.01Å; F283-T326 HydrophobicContact CE1-CG2 3.77Å; F283-T326 HydrophobicContact CE2-CG2 4.34Å; F283-T326 HydrophobicContact CG-CG2 3.53Å; F283-T326 HydrophobicContact CZ-CG2 4.23Å; T326-K328 HydrophobicContact CG2-CB 4.18Å; T326-K328 PolarHBondContact O-N 3.46Å; T326-K328 PolarHBondContact OG1-N 3.12Å
327A86.8Confident81.7Confident111 Ų11191 Ų9192%0.91748%0.477SS*.SBendtrans-76.4-8174.400000112.9
328K91.3Very high80.5Confident93 Ų9391.4 Ų91.440%0.40448%0.481SS..SBendtrans-69.2153176.9-64.4179.9-166.8158.70110.8D274 S277 F283 T326D274-K328 IonicContact OD1-NZ 3.63Å; D274-K328 PolarHBondContact OD1-NZ 3.21Å; D274-K328 VanDerWaalsContact OD2-CD 3.3Å; D274-K328 WeakPolarHBondContact OD2-CD 3.42Å; D274-K328 VanDerWaalsContact OD2-CE 3.25Å; D274-K328 WeakPolarHBondContact OD2-CE 3.49Å; D274-K328 IonicContact OD2-NZ 3.64Å; D274-K328 PolarHBondContact OD2-NZ 3.08Å; S277-K328 PolarHBondContact OG-NZ 3.2Å; F283-K328 HydrophobicContact CD1-CB 4.25Å; F283-K328 HydrophobicContact CE1-CB 3.63Å; F283-K328 HydrophobicContact CZ-CB 4.49Å; T326-K328 HydrophobicContact CG2-CB 4.18Å; T326-K328 PolarHBondContact O-N 3.46Å; T326-K328 PolarHBondContact OG1-N 3.12Å
329K88.9Confident79.3Confident194 Ų19495.4 Ų95.484%0.84351%0.509SS*.PPolyproline II helixtrans-68.9148.3176.5-67.5-175.4178.2-178.80110.6F283F283-K329 VanDerWaalsContact CD1-O 3.27Å; F283-K329 WeakPolarHBondContact CD1-O 3.35Å; F283-K329 WeakPolarHBondContact CE1-O 3.45Å
330W90.5Very high78Confident27 Ų2788.9 Ų88.910%0.10249%0.485CS..PPolyproline II helixtrans-48.2127.7171.7-176-108.9000110.8L270 A272 F283 N285 P286 Y287 L332L270-W330 HydrophobicContact CD2-CZ2 4.22Å; L270-W330 HydrophobicContact CG-CZ2 4.37Å; A272-W330 HydrophobicContact CB-CE3 4.19Å; A272-W330 HydrophobicContact CB-CH2 3.66Å; A272-W330 HydrophobicContact CB-CZ2 4.36Å; A272-W330 HydrophobicContact CB-CZ3 3.56Å; F283-W330 HydrophobicContact CB-CE3 3.57Å; F283-W330 HydrophobicContact CB-CZ3 3.82Å; N285-W330 HydrophobicContact CB-CE3 4.33Å; N285-W330 HydrophobicContact CB-CH2 3.98Å; N285-W330 HydrophobicContact CB-CZ3 3.8Å; P286-W330 VanDerWaalsContact CD-CG 3.43Å; P286-W330 HydrophobicContact CG-CB 3.9Å; P286-W330 HydrophobicContact CG-CD2 4.41Å; P286-W330 HydrophobicContact CG-CG 3.84Å; Y287-W330 AromaticContact CE2-CD1 3.77Å; Y287-W330 AromaticContact CE2-NE1 3.68Å; W330-L332 HydrophobicContact CZ2-CD1 3.89Å; W330-L332 HydrophobicContact CZ2-CG 4.35Å
331P90.7Very high76.7Confident40 Ų4091 Ų9126%0.2650%0.503SS..SBendtrans-84.3-18.5-166.832.3-35.8000113.5L247 A261 A272 F283 T333L247-P331 HydrophobicContact CD1-CB 3.73Å; L247-P331 HydrophobicContact CD1-CG 3.56Å; A261-P331 HydrophobicContact CB-CG 4.5Å; A272-P331 HydrophobicContact CB-CG 3.82Å; F283-P331 HydrophobicContact CD1-CG 4.38Å; F283-P331 HydrophobicContact CD2-CG 4.22Å; F283-P331 HydrophobicContact CE1-CB 4.47Å; F283-P331 HydrophobicContact CE1-CG 4.27Å; F283-P331 HydrophobicContact CE2-CG 4.11Å; F283-P331 HydrophobicContact CG-CG 4.35Å; F283-P331 HydrophobicContact CZ-CB 4.4Å; F283-P331 HydrophobicContact CZ-CG 4.15Å; P331-T333 PolarHBondContact O-N 3.17Å
332L86.7Confident76.2Confident56 Ų5685.7 Ų85.729%0.29348%0.481SS..  trans-87.9110.4179.6-51.3176.5000109.8L247 A263 L270 W330L247-L332 HydrophobicContact CD1-CD2 3.8Å; L247-L332 HydrophobicContact CD2-CD2 3.68Å; L247-L332 HydrophobicContact CG-CD2 4.44Å; A263-L332 HydrophobicContact CB-CD1 4.07Å; A263-L332 HydrophobicContact CB-CD2 4.22Å; L270-L332 HydrophobicContact CD2-CD1 3.92Å; W330-L332 HydrophobicContact CZ2-CD1 3.89Å; W330-L332 HydrophobicContact CZ2-CG 4.35Å
333T79.8Confident76Confident107 Ų10783.1 Ų83.166%0.65649%0.485SS*.  trans-116.316.7-176.154.90000113P331 L856P331-T333 PolarHBondContact O-N 3.17Å; T333-L856 WeakPolarHBondContact O-CD1 3.27Å
334G75.3Confident76.3Confident69 Ų6974.5 Ų74.571%0.71146%0.457SS*.  trans-57.7136.5-178.500000113.2
335G76.3Confident76.7Confident16 Ų1672.3 Ų72.317%0.16543%0.431CS..SBendtrans90.1167.3176.100000115.3S853 I854 L856G335-S853 CarbonylContact C-O 3.57Å; G335-S853 WeakPolarHBondContact CA-O 3.1Å; G335-I854 VanDerWaalsContact CA-O 3.32Å; G335-I854 WeakPolarHBondContact CA-O 3.08Å; G335-I854 PolarHBondContact N-O 3.38Å; G335-L856 WeakPolarHBondContact O-CD1 3.42Å
336V73.1Confident76.9Confident69 Ų6968.5 Ų68.542%0.41842%0.416SS..BIsolated β-bridgetrans-131137.3174.8-71.30000109.2G852 S853 L856V336-G852 CarbonylContact O-C 3.57Å; V336-G852 WeakPolarHBondContact O-CA 3.24Å; V336-S853 PolarHBondContact N-O 3.22Å; V336-S853 PolarHBondContact O-N 2.81Å; V336-L856 HydrophobicContact CG1-CD2 3.34Å; V336-L856 HydrophobicContact CG1-CG 4Å
337W68.8Low77.1Confident146 Ų14667.7 Ų67.755%0.55341%0.411SS*.  trans-71155.8170.7-51.599.1000110.3Y287 V365 N366Y287-W337 HydrophobicContact CE1-CZ2 4.45Å; W337-V365 HydrophobicContact CE3-CB 3.93Å; W337-V365 HydrophobicContact CE3-CG1 4.49Å; W337-V365 HydrophobicContact CZ3-CB 3.76Å; W337-V365 HydrophobicContact CZ3-CG1 3.98Å; W337-N366 HydrophobicContact CH2-CB 3.55Å; W337-N366 HydrophobicContact CZ2-CB 3.96Å; W337-N366 HydrophobicContact CZ3-CB 3.91Å
338G65.4Low77.4Confident21 Ų2162.4 Ų62.422%0.21637%0.367CS..  trans-57.5140.6162.100000109.8S340 D849 I850G338-S340 PolarHBondContact O-N 2.87Å; G338-D849 CarbonylContact C-O 3.58Å; G338-D849 WeakPolarHBondContact CA-O 3.08Å; G338-I850 PolarHBondContact N-O 3.35Å
339S60.3Low77.6Confident131 Ų13158 Ų5892%0.91635%0.348SS*.SBendtrans-74.1-6.4-176.953.80000113.6
340S57.4Low77.8Confident34 Ų3448.8 Ų48.824%0.23831%0.308CS..  trans-89115.617270.70000109.9G338 D849 I850G338-S340 PolarHBondContact O-N 2.87Å; S340-D849 WeakPolarHBondContact OG-CB 3.49Å; S340-D849 PolarHBondContact OG-O 2.85Å; S340-I850 WeakPolarHBondContact OG-CG1 3.34Å; S340-I850 PolarHBondContact OG-N 3.05Å
341T53.6Low78Confident113 Ų11347.5 Ų47.569%0.69330%0.303SS*.  trans-69.1150.3153.354.60000107.1S343T341-S343 PolarHBondContact O-N 2.82Å
342S58.2Low78.1Confident17 Ų1745.6 Ų45.612%0.11929%0.291CS..  trans-51136.3159.366.80000107.6D344 S363S342-D344 PolarHBondContact O-N 3.47Å; S342-D344 PolarHBondContact OG-O 3.48Å; S342-S363 VanDerWaalsContact CB-O 3.31Å; S342-S363 WeakPolarHBondContact CB-O 3.46Å; S342-S363 PolarHBondContact N-O 3.43Å; S342-S363 PolarHBondContact OG-O 2.75Å
343S64.4Low78.3Confident86 Ų8644.3 Ų44.360%0.60129%0.285SS*.SBendtrans-59.6-32.8176.242.80000110.9T341T341-S343 PolarHBondContact O-N 2.82Å
344D77.5Confident78.8Confident65 Ų6542.3 Ų42.335%0.34827%0.27SS..SBendtrans-106.4122.5-176.8-62.9-27.1000111S342S342-D344 PolarHBondContact O-N 3.47Å; S342-D344 PolarHBondContact OG-O 3.48Å
345P88.7Confident79.7Confident24 Ų2439 Ų3916%0.15624%0.236CC..  trans-63136.2174.422.1-33.7000112.7C305 I307 I310 S363C305-P345 WeakPolarHBondContact CB-O 3.37Å; C305-P345 PolarHBondContact N-O 3.45Å; C305-P345 WeakPolarHBondContact O-CG 3.03Å; I307-P345 HydrophobicContact CB-CG 4.29Å; I307-P345 HydrophobicContact CD1-CB 4.08Å; I307-P345 HydrophobicContact CD1-CG 4.24Å; I310-P345 HydrophobicContact CG1-CB 4.37Å; P345-S363 WeakPolarHBondContact CA-OG 3.49Å
346E91.2Very high80.5Confident3 Ų338.5 Ų38.51%0.01423%0.23CC..  trans-121.5143.1-178.1-55.9-173.8-162.600111.8Y301 L302 F362 S363 K836Y301-E346 HydrophobicContact CE2-CB 4.3Å; Y301-E346 VanDerWaalsContact CE2-OE2 3.31Å; Y301-E346 WeakPolarHBondContact CE2-OE2 3.44Å; Y301-E346 VanDerWaalsContact OH-CD 3.23Å; Y301-E346 PolarHBondContact OH-OE2 2.73Å; L302-E346 CarbonylContact O-C 3.41Å; L302-E346 VanDerWaalsContact O-CA 3.29Å; L302-E346 WeakPolarHBondContact O-CA 3.37Å; E346-F362 HydrophobicContact CB-CB 4.07Å; E346-F362 PolarHBondContact O-N 3.17Å; E346-S363 PolarHBondContact N-OG 3.34Å; E346-S363 PolarHBondContact O-OG 3.11Å; E346-K836 IonicContact OE1-NZ 2.68Å; E346-K836 PolarHBondContact OE1-NZ 3.43Å; E346-K836 VanDerWaalsContact OE2-CE 3.32Å; E346-K836 WeakPolarHBondContact OE2-CE 3.48Å; E346-K836 IonicContact OE2-NZ 2.74Å; E346-K836 PolarHBondContact OE2-NZ 2.81Å
347L94.6Very high81.6Confident0 Ų035.2 Ų35.20%021%0.21CC..EExtended strand (participates in β ladder)trans-125.7127.6179.3-179.464.4000110.1L302 C305 L309 I310 L313 I349 F359 W360 L370 L400L302-L347 HydrophobicContact CB-CB 4.27Å; L302-L347 HydrophobicContact CD1-CB 4.45Å; L302-L347 HydrophobicContact CD1-CD2 4.13Å; L302-L347 PolarHBondContact N-O 3.28Å; L302-L347 PolarHBondContact O-N 3.27Å; C305-L347 HydrophobicContact CB-CB 3.8Å; L309-L347 HydrophobicContact CD2-CD2 4.06Å; I310-L347 HydrophobicContact CD1-CB 4.03Å; I310-L347 HydrophobicContact CD1-CD1 4Å; I310-L347 HydrophobicContact CD1-CG 4.47Å; L313-L347 HydrophobicContact CD1-CD1 4.08Å; L313-L347 HydrophobicContact CD1-CD2 4.07Å; L347-I349 HydrophobicContact CD2-CD1 4.43Å; L347-I349 HydrophobicContact CD2-CG1 4.44Å; L347-I349 HydrophobicContact CG-CG1 4.24Å; L347-F359 HydrophobicContact CD1-CB 4.3Å; L347-F359 HydrophobicContact CD1-CD1 4.34Å; L347-F359 HydrophobicContact CD2-CD1 4.34Å; L347-W360 WeakPolarHBondContact CD1-O 3.35Å; L347-L370 HydrophobicContact CD1-CD1 4.02Å; L347-L400 HydrophobicContact CD2-CD2 3.91Å
348M93.3Very high82.8Confident0 Ų028.6 Ų28.60%019%0.185CC..EExtended strand (participates in β ladder)trans-109.1138.5168.2-173.169.767.600109.3C299 A300 Y301 T350 W360 F362 V826 L834C299-M348 HydrophobicContact CB-SD 4.26Å; A300-M348 CarbonylContact O-C 3.57Å; A300-M348 WeakPolarHBondContact O-CA 3.16Å; Y301-M348 HydrophobicContact CD2-CE 3.65Å; Y301-M348 HydrophobicContact CD2-SD 4.39Å; Y301-M348 HydrophobicContact CE2-CE 4.41Å; Y301-M348 HydrophobicContact CG-CE 4.04Å; M348-T350 HydrophobicContact CG-CG2 4.34Å; M348-W360 HydrophobicContact CB-CB 4.22Å; M348-W360 PolarHBondContact N-O 3.47Å; M348-W360 PolarHBondContact O-N 3.47Å; M348-F362 HydrophobicContact CB-CB 4.15Å; M348-F362 HydrophobicContact CB-CD2 4.46Å; M348-F362 HydrophobicContact CB-CG 4.27Å; M348-F362 HydrophobicContact CE-CD1 4.05Å; M348-F362 HydrophobicContact CE-CE1 3.95Å; M348-F362 HydrophobicContact CE-CG 4.41Å; M348-F362 HydrophobicContact CE-CZ 4.24Å; M348-V826 HydrophobicContact CE-CB 3.75Å; M348-V826 HydrophobicContact CE-CG1 3.51Å; M348-V826 HydrophobicContact CE-CG2 3.73Å; M348-L834 HydrophobicContact CE-CD2 4.43Å; M348-L834 HydrophobicContact CG-CD1 4.33Å
349I95.4Very high84.2Confident1 Ų127.6 Ų27.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-123.7127.9173.2-48.1173.5000107.9C299 A300 L347 V357 K358 F359 I398 L400C299-I349 CarbonylContact C-O 3.59Å; C299-I349 WeakPolarHBondContact CA-O 3.5Å; C299-I349 WeakPolarHBondContact CB-O 3.35Å; A300-I349 HydrophobicContact CB-CB 4.3Å; A300-I349 PolarHBondContact N-O 3.04Å; A300-I349 PolarHBondContact O-N 3.04Å; L347-I349 HydrophobicContact CD2-CD1 4.43Å; L347-I349 HydrophobicContact CD2-CG1 4.44Å; L347-I349 HydrophobicContact CG-CG1 4.24Å; I349-V357 HydrophobicContact CG2-CG1 3.45Å; I349-V357 VanDerWaalsContact CG2-CG1 3.45Å; I349-K358 CarbonylContact C-O 3.52Å; I349-K358 VanDerWaalsContact CA-O 3.25Å; I349-K358 WeakPolarHBondContact CA-O 3.44Å; I349-K358 WeakPolarHBondContact CG2-O 3.5Å; I349-F359 HydrophobicContact CD1-CD1 3.87Å; I349-F359 HydrophobicContact CD1-CE1 3.44Å; I349-F359 VanDerWaalsContact CD1-CE1 3.44Å; I349-F359 HydrophobicContact CD1-CZ 4.19Å; I349-F359 HydrophobicContact CG1-CD1 3.74Å; I349-F359 HydrophobicContact CG1-CE1 3.82Å; I349-F359 HydrophobicContact CG1-CG 4.45Å; I349-F359 HydrophobicContact CG2-CD1 4.36Å; I349-F359 HydrophobicContact CG2-CD2 4.48Å; I349-F359 HydrophobicContact CG2-CE1 4.16Å; I349-F359 HydrophobicContact CG2-CE2 4.28Å; I349-F359 HydrophobicContact CG2-CZ 4.1Å; I349-I398 HydrophobicContact CD1-CG2 4.42Å; I349-I398 HydrophobicContact CG2-CD1 3.96Å; I349-I398 HydrophobicContact CG2-CG2 4.17Å; I349-L400 HydrophobicContact CD1-CB 4.04Å; I349-L400 HydrophobicContact CD1-CD2 3.53Å; I349-L400 HydrophobicContact CD1-CG 4.35Å
350T93.5Very high85.8Confident0 Ų021.3 Ų21.30%013%0.131CC..EExtended strand (participates in β ladder)trans-114.2131.1177.557.40000110.1I291 V296 M348 H352 V357 K358 W360I291-T350 HydrophobicContact CG2-CG2 4.25Å; V296-T350 HydrophobicContact CG1-CG2 4.34Å; V296-T350 HydrophobicContact CG2-CG2 4.37Å; M348-T350 HydrophobicContact CG-CG2 4.34Å; T350-H352 PolarHBondContact O-CD2 2.9Å; T350-H352 PolarHBondContact OG1-NE2 2.86Å; T350-V357 CarbonylContact O-C 3.5Å; T350-V357 VanDerWaalsContact O-CA 3.28Å; T350-V357 WeakPolarHBondContact O-CA 3.37Å; T350-K358 PolarHBondContact N-O 3.04Å; T350-K358 PolarHBondContact O-N 2.86Å; T350-W360 PolarHBondContact OG1-NE1 3.06Å
351G94.1Very high87.4Confident0 Ų021.2 Ų21.20%013%0.128CC..EExtended strand (participates in β ladder)trans-100.2143.5168.500000110V296 T297 C298V296-G351 CarbonylContact C-O 3.52Å; V296-G351 WeakPolarHBondContact CA-O 3.39Å; T297-G351 PolarHBondContact N-O 3.38Å; T297-G351 PolarHBondContact OG1-O 3.01Å; C298-G351 PolarHBondContact O-N 3.44Å
352H92.5Very high89Confident0 Ų016.8 Ų16.80%010%0.099CC..EExtended strand (participates in β ladder)trans-126.7160.7-170.1-63.4-90.7000112.8H292 S294 P295 T350 D354 G355 S356 I395H292-H352 WeakPolarHBondContact CB-CE1 3.41Å; H292-H352 AromaticContact CG-CE1 3.99Å; H292-H352 AromaticContact CG-ND1 3.91Å; H292-H352 AromaticContact ND1-CE1 3.93Å; H292-H352 AromaticContact ND1-CG 3.69Å; H292-H352 AromaticContact ND1-ND1 3.47Å; H292-H352 PolarHBondContact ND1-ND1 2.86Å; S294-H352 PolarHBondContact O-ND1 2.81Å; P295-H352 VanDerWaalsContact O-CA 3.31Å; P295-H352 WeakPolarHBondContact O-CA 3.31Å; T350-H352 PolarHBondContact O-CD2 2.9Å; T350-H352 PolarHBondContact OG1-NE2 2.86Å; H352-D354 VanDerWaalsContact C-N 3.26Å; H352-D354 WeakPolarHBondContact CB-OD1 3.45Å; H352-D354 PolarHBondContact O-N 3.02Å; H352-G355 PolarHBondContact O-N 3.06Å; H352-G355 VanDerWaalsContact O-N 3.13Å; H352-S356 WeakPolarHBondContact CB-OG 3.45Å; H352-S356 PolarHBondContact CD2-O 2.88Å; H352-S356 PolarHBondContact CD2-OG 2.89Å; H352-S356 PolarHBondContact N-O 3.16Å; H352-I395 WeakPolarHBondContact O-CG1 3.31Å; H352-I395 PolarHBondContact O-N 2.96Å; H352-I395 VanDerWaalsContact O-N 3.08Å
353V91.6Very high90.3Very high29 Ų2916.8 Ų16.818%0.17610%0.099CC..THydrogen-bonded Turntrans-58.1-35.1176.6179.30000112.8S294 P295 T297 G355 N391 S394S294-V353 WeakPolarHBondContact OG-CB 3.28Å; S294-V353 PolarHBondContact OG-N 3.45Å; P295-V353 HydrophobicContact CB-CG2 3.94Å; P295-V353 HydrophobicContact CG-CG2 4.24Å; P295-V353 PolarHBondContact O-N 3.28Å; P295-V353 VanDerWaalsContact O-N 3.13Å; T297-V353 HydrophobicContact CG2-CB 4.36Å; T297-V353 HydrophobicContact CG2-CG2 3.41Å; T297-V353 VanDerWaalsContact CG2-CG2 3.41Å; V353-G355 PolarHBondContact O-N 3.28Å; V353-N391 HydrophobicContact CG1-CB 3.8Å; V353-N391 VanDerWaalsContact CG1-CG 3.4Å; V353-N391 WeakPolarHBondContact CG1-ND2 3.31Å; V353-S394 WeakPolarHBondContact O-CA 3.4Å; V353-S394 WeakPolarHBondContact O-CB 3.49Å; V353-S394 PolarHBondContact O-N 2.82Å
354D90.7Very high90.9Very high65 Ų6515.1 Ų15.135%0.3489%0.087SC..THydrogen-bonded Turntrans-77117978.6-34.4000114.7H292 S294 H352 S356H292-D354 IonicContact CE1-OD1 2.75Å; H292-D354 IonicContact CE1-OD2 3.53Å; H292-D354 PolarHBondContact CE1-OD2 2.86Å; H292-D354 VanDerWaalsContact CE1-OD2 3.3Å; H292-D354 IonicContact ND1-OD1 2.77Å; S294-D354 PolarHBondContact OG-N 2.82Å; H352-D354 VanDerWaalsContact C-N 3.26Å; H352-D354 WeakPolarHBondContact CB-OD1 3.45Å; H352-D354 PolarHBondContact O-N 3.02Å; D354-S356 VanDerWaalsContact C-N 3.31Å; D354-S356 VanDerWaalsContact OD1-CB 3.24Å; D354-S356 WeakPolarHBondContact OD1-CB 3.33Å; D354-S356 PolarHBondContact OD1-N 3.29Å; D354-S356 PolarHBondContact OD1-OG 3.32Å; D354-S356 PolarHBondContact OD2-OG 3.32Å
355G93.6Very high90.7Very high0 Ų015.6 Ų15.60%09%0.093CC..SBendtrans78.111.9-175.800000114.8H352 V353 T375 F393H352-G355 PolarHBondContact O-N 3.06Å; H352-G355 VanDerWaalsContact O-N 3.13Å; V353-G355 PolarHBondContact O-N 3.28Å; G355-T375 PolarHBondContact O-N 2.79Å; G355-T375 PolarHBondContact O-OG1 3.2Å; G355-F393 WeakPolarHBondContact CA-O 3.29Å; G355-F393 PolarHBondContact N-O 2.92Å
356S93.7Very high90Very high5 Ų516.2 Ų16.24%0.0359%0.094CC..EExtended strand (participates in β ladder)trans-78.7146.9167.769.60000111.4H292 H352 D354 L373H292-S356 PolarHBondContact CE1-OG 2.85Å; H292-S356 VanDerWaalsContact CE1-OG 3.25Å; H352-S356 WeakPolarHBondContact CB-OG 3.45Å; H352-S356 PolarHBondContact CD2-O 2.88Å; H352-S356 PolarHBondContact CD2-OG 2.89Å; H352-S356 PolarHBondContact N-O 3.16Å; D354-S356 VanDerWaalsContact C-N 3.31Å; D354-S356 VanDerWaalsContact OD1-CB 3.24Å; D354-S356 WeakPolarHBondContact OD1-CB 3.33Å; D354-S356 PolarHBondContact OD1-N 3.29Å; D354-S356 PolarHBondContact OD1-OG 3.32Å; D354-S356 PolarHBondContact OD2-OG 3.32Å; S356-L373 CarbonylContact C-O 3.57Å; S356-L373 WeakPolarHBondContact CA-O 3.15Å
357V95.5Very high89.6Confident0 Ų017.8 Ų17.80%010%0.103CC..EExtended strand (participates in β ladder)trans-126.9125.2170.5178.80000107.9I349 T350 F359 L373 I395 I398 I409I349-V357 HydrophobicContact CG2-CG1 3.45Å; I349-V357 VanDerWaalsContact CG2-CG1 3.45Å; T350-V357 CarbonylContact O-C 3.5Å; T350-V357 VanDerWaalsContact O-CA 3.28Å; T350-V357 WeakPolarHBondContact O-CA 3.37Å; V357-F359 HydrophobicContact CG1-CE2 3.93Å; V357-F359 HydrophobicContact CG1-CZ 4.42Å; V357-L373 HydrophobicContact CB-CB 4.24Å; V357-L373 PolarHBondContact N-O 3.07Å; V357-L373 PolarHBondContact O-N 3.39Å; V357-I395 HydrophobicContact CG2-CD1 4.07Å; V357-I395 HydrophobicContact CG2-CG1 3.9Å; V357-I395 HydrophobicContact CG2-CG2 4.49Å; V357-I398 HydrophobicContact CG1-CD1 4.1Å; V357-I409 HydrophobicContact CB-CD1 4.39Å; V357-I409 HydrophobicContact CG1-CD1 4.46Å; V357-I409 HydrophobicContact CG2-CD1 3.81Å; V357-I409 HydrophobicContact CG2-CG2 4.44Å
358K93.4Very high89.1Confident6 Ų621.4 Ų21.43%0.02612%0.12CC..EExtended strand (participates in β ladder)trans-119.3139.1-176.1-63-179.1-179.4-175.10110.7I291 H292 I349 T350 W360 I369 R372I291-K358 PolarHBondContact O-NZ 2.85Å; H292-K358 VanDerWaalsContact CD2-CE 3.45Å; H292-K358 WeakPolarHBondContact CD2-CE 3.25Å; H292-K358 PolarHBondContact CD2-NZ 3.05Å; H292-K358 VanDerWaalsContact CG-NZ 3.27Å; I349-K358 CarbonylContact C-O 3.52Å; I349-K358 VanDerWaalsContact CA-O 3.25Å; I349-K358 WeakPolarHBondContact CA-O 3.44Å; I349-K358 WeakPolarHBondContact CG2-O 3.5Å; T350-K358 PolarHBondContact N-O 3.04Å; T350-K358 PolarHBondContact O-N 2.86Å; K358-W360 HydrophobicContact CB-CZ2 3.89Å; K358-W360 HydrophobicContact CD-CH2 4.02Å; K358-W360 HydrophobicContact CD-CZ2 3.37Å; K358-W360 HydrophobicContact CG-CZ2 4.33Å; K358-I369 HydrophobicContact CB-CD1 4.14Å; K358-I369 HydrophobicContact CD-CD1 3.89Å; K358-I369 HydrophobicContact CG-CD1 4.09Å; K358-R372 HydrophobicContact CG-CG 4.41Å
359F95.5Very high88.9Confident0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-108.3129.1178.7-67.3-105.8000108.3L313 L347 I349 V357 I369 L370 Y371 L407 Y494L313-F359 HydrophobicContact CD1-CB 4.33Å; L313-F359 HydrophobicContact CD1-CD1 3.82Å; L313-F359 HydrophobicContact CD1-CG 4.36Å; L313-F359 HydrophobicContact CD2-CD1 4.16Å; L313-F359 HydrophobicContact CD2-CG 4.4Å; L347-F359 HydrophobicContact CD1-CB 4.3Å; L347-F359 HydrophobicContact CD1-CD1 4.34Å; L347-F359 HydrophobicContact CD2-CD1 4.34Å; I349-F359 HydrophobicContact CD1-CD1 3.87Å; I349-F359 HydrophobicContact CD1-CE1 3.44Å; I349-F359 VanDerWaalsContact CD1-CE1 3.44Å; I349-F359 HydrophobicContact CD1-CZ 4.19Å; I349-F359 HydrophobicContact CG1-CD1 3.74Å; I349-F359 HydrophobicContact CG1-CE1 3.82Å; I349-F359 HydrophobicContact CG1-CG 4.45Å; I349-F359 HydrophobicContact CG2-CD1 4.36Å; I349-F359 HydrophobicContact CG2-CD2 4.48Å; I349-F359 HydrophobicContact CG2-CE1 4.16Å; I349-F359 HydrophobicContact CG2-CE2 4.28Å; I349-F359 HydrophobicContact CG2-CZ 4.1Å; V357-F359 HydrophobicContact CG1-CE2 3.93Å; V357-F359 HydrophobicContact CG1-CZ 4.42Å; F359-I369 WeakPolarHBondContact O-CG1 3.24Å; F359-L370 HydrophobicContact CB-CB 4.37Å; F359-L370 PolarHBondContact O-N 3.15Å; F359-Y371 AromaticContact CD2-CD1 3.61Å; F359-Y371 HydrophobicContact CD2-CD1 3.61Å; F359-Y371 HydrophobicContact CD2-CG 4.4Å; F359-Y371 AromaticContact CE2-CD1 3.79Å; F359-Y371 HydrophobicContact CE2-CD1 3.79Å; F359-Y371 HydrophobicContact CE2-CE1 4.32Å; F359-Y371 HydrophobicContact CG-CD1 4.37Å; F359-Y371 PolarHBondContact N-O 3.38Å; F359-Y371 PolarHBondContact O-N 2.78Å; F359-L407 HydrophobicContact CE2-CD2 4.4Å; F359-L407 HydrophobicContact CZ-CD1 4.24Å; F359-L407 HydrophobicContact CZ-CD2 3.74Å; F359-Y494 HydrophobicContact CD1-CE2 4.43Å; F359-Y494 HydrophobicContact CE1-CD2 4.42Å; F359-Y494 AromaticContact CE1-CE2 3.58Å; F359-Y494 HydrophobicContact CE1-CE2 3.58Å; F359-Y494 HydrophobicContact CE2-CD2 4.14Å; F359-Y494 HydrophobicContact CE2-CE2 4.09Å; F359-Y494 AromaticContact CZ-CD2 3.8Å; F359-Y494 HydrophobicContact CZ-CD2 3.8Å; F359-Y494 AromaticContact CZ-CE2 3.39Å; F359-Y494 HydrophobicContact CZ-CE2 3.39Å
360W92.6Very high88.7Confident0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-127130.6-173.9-47.489.7000110.8I291 L347 M348 T350 K358 F362 L367 Q368 I369I291-W360 HydrophobicContact CG2-CH2 4.45Å; I291-W360 HydrophobicContact CG2-CZ2 3.74Å; I291-W360 VanDerWaalsContact O-CH2 3.28Å; I291-W360 WeakPolarHBondContact O-CH2 3.27Å; I291-W360 WeakPolarHBondContact O-CZ2 3.33Å; L347-W360 WeakPolarHBondContact CD1-O 3.35Å; M348-W360 HydrophobicContact CB-CB 4.22Å; M348-W360 PolarHBondContact N-O 3.47Å; M348-W360 PolarHBondContact O-N 3.47Å; T350-W360 PolarHBondContact OG1-NE1 3.06Å; K358-W360 HydrophobicContact CB-CZ2 3.89Å; K358-W360 HydrophobicContact CD-CH2 4.02Å; K358-W360 HydrophobicContact CD-CZ2 3.37Å; K358-W360 HydrophobicContact CG-CZ2 4.33Å; W360-F362 PolarHBondContact O-N 3.15Å; W360-L367 HydrophobicContact CB-CD1 3.54Å; W360-L367 HydrophobicContact CB-CG 4.26Å; W360-L367 HydrophobicContact CD2-CD1 4.24Å; W360-L367 HydrophobicContact CD2-CD2 4.25Å; W360-L367 HydrophobicContact CD2-CG 4.12Å; W360-L367 HydrophobicContact CE3-CD1 4.24Å; W360-L367 HydrophobicContact CE3-CD2 3.99Å; W360-L367 HydrophobicContact CE3-CG 3.69Å; W360-L367 HydrophobicContact CG-CD1 3.99Å; W360-L367 HydrophobicContact CG-CG 4.4Å; W360-L367 HydrophobicContact CZ3-CD2 4.24Å; W360-L367 HydrophobicContact CZ3-CG 4.28Å; W360-Q368 CarbonylContact C-O 3.52Å; W360-Q368 VanDerWaalsContact CA-O 3.29Å; W360-Q368 WeakPolarHBondContact CA-O 3.1Å; W360-I369 HydrophobicContact CD2-CB 4.49Å; W360-I369 HydrophobicContact CD2-CG1 4.27Å; W360-I369 HydrophobicContact CE3-CB 3.69Å; W360-I369 HydrophobicContact CE3-CG1 3.93Å; W360-I369 HydrophobicContact CH2-CB 4.46Å; W360-I369 HydrophobicContact CH2-CD1 4.14Å; W360-I369 HydrophobicContact CH2-CG1 4.42Å; W360-I369 HydrophobicContact CZ2-CD1 4.41Å; W360-I369 HydrophobicContact CZ3-CB 3.68Å; W360-I369 HydrophobicContact CZ3-CD1 4.18Å; W360-I369 HydrophobicContact CZ3-CG1 4.02Å
361D91.3Very high88.7Confident31 Ų3124 Ų2417%0.16613%0.132CC..EExtended strand (participates in β ladder)trans-67.6118.6164-167.4-19000108.2S363 Q368 L370D361-S363 WeakPolarHBondContact OD1-CB 3.19Å; D361-S363 PolarHBondContact OD1-N 3.12Å; D361-S363 PolarHBondContact OD1-OG 2.91Å; D361-Q368 HydrophobicContact CB-CB 4.29Å; D361-Q368 PolarHBondContact N-O 3.47Å; D361-Q368 PolarHBondContact O-N 3.14Å; D361-L370 HydrophobicContact CB-CD1 3.95Å; D361-L370 HydrophobicContact CB-CD2 4.06Å; D361-L370 HydrophobicContact CB-CG 3.99Å
362F88.6Confident88.6Confident21 Ų2127.7 Ų27.79%0.09215%0.146CC..  trans-114.913.9-177.7-152.8-118.5000112.4Y301 E346 M348 W360 S364 L367 V826 K836Y301-F362 HydrophobicContact CD2-CD1 4.41Å; Y301-F362 AromaticContact CE2-CD1 3.85Å; Y301-F362 HydrophobicContact CE2-CD1 3.85Å; Y301-F362 HydrophobicContact CE2-CE1 4.45Å; E346-F362 HydrophobicContact CB-CB 4.07Å; E346-F362 PolarHBondContact O-N 3.17Å; M348-F362 HydrophobicContact CB-CB 4.15Å; M348-F362 HydrophobicContact CB-CD2 4.46Å; M348-F362 HydrophobicContact CB-CG 4.27Å; M348-F362 HydrophobicContact CE-CD1 4.05Å; M348-F362 HydrophobicContact CE-CE1 3.95Å; M348-F362 HydrophobicContact CE-CG 4.41Å; M348-F362 HydrophobicContact CE-CZ 4.24Å; W360-F362 PolarHBondContact O-N 3.15Å; F362-S364 VanDerWaalsContact C-N 3.29Å; F362-S364 PolarHBondContact O-N 3.13Å; F362-L367 HydrophobicContact CD2-CD1 3.46Å; F362-L367 VanDerWaalsContact CD2-CD1 3.46Å; F362-L367 HydrophobicContact CE2-CD1 3.88Å; F362-V826 HydrophobicContact CD1-CG2 4.34Å; F362-V826 HydrophobicContact CE1-CG1 4.24Å; F362-V826 HydrophobicContact CE1-CG2 3.52Å; F362-V826 HydrophobicContact CZ-CG1 4.15Å; F362-V826 HydrophobicContact CZ-CG2 4.24Å; F362-K836 HydrophobicContact CD1-CD 4.19Å; F362-K836 HydrophobicContact CE1-CB 3.82Å; F362-K836 HydrophobicContact CE1-CD 3.58Å; F362-K836 HydrophobicContact CE1-CG 3.9Å; F362-K836 HydrophobicContact CZ-CB 3.88Å; F362-K836 HydrophobicContact CZ-CD 4.26Å; F362-K836 HydrophobicContact CZ-CG 4.46Å
363S84.5Confident88.7Confident17 Ų1728.3 Ų28.312%0.11915%0.15CC..SBendtrans-75.5-16.8-175.9-40.80000113.1S342 P345 E346 D361S342-S363 VanDerWaalsContact CB-O 3.31Å; S342-S363 WeakPolarHBondContact CB-O 3.46Å; S342-S363 PolarHBondContact N-O 3.43Å; S342-S363 PolarHBondContact OG-O 2.75Å; P345-S363 WeakPolarHBondContact CA-OG 3.49Å; E346-S363 PolarHBondContact N-OG 3.34Å; E346-S363 PolarHBondContact O-OG 3.11Å; D361-S363 WeakPolarHBondContact OD1-CB 3.19Å; D361-S363 PolarHBondContact OD1-N 3.12Å; D361-S363 PolarHBondContact OD1-OG 2.91Å
364S76.9Confident88.8Confident50 Ų5033.8 Ų33.835%0.3517%0.167SC..SBendtrans-130.7178.1-176.880.40000111.5F362 N366F362-S364 VanDerWaalsContact C-N 3.29Å; F362-S364 PolarHBondContact O-N 3.13Å; S364-N366 PolarHBondContact O-N 2.94Å; S364-N366 PolarHBondContact OG-N 3.03Å; S364-N366 VanDerWaalsContact OG-N 3.14Å; S364-N366 PolarHBondContact OG-O 3.37Å
365V73.7Confident89Confident76 Ų7630.7 Ų30.746%0.46115%0.151SC..SBendtrans-60.2-30.3171.4-1740000111.4W337 L367 I850W337-V365 HydrophobicContact CE3-CB 3.93Å; W337-V365 HydrophobicContact CE3-CG1 4.49Å; W337-V365 HydrophobicContact CZ3-CB 3.76Å; W337-V365 HydrophobicContact CZ3-CG1 3.98Å; V365-L367 PolarHBondContact O-N 2.87Å; V365-I850 HydrophobicContact CG2-CG2 3.48Å; V365-I850 VanDerWaalsContact CG2-CG2 3.48Å; V365-I850 WeakPolarHBondContact CG2-O 3.25Å
366N74Confident88.8Confident36 Ų3632.1 Ų32.119%0.19316%0.163CC..SBendtrans-80.5120.6178.5-16811.3000110.7W337 S364 Q368W337-N366 HydrophobicContact CH2-CB 3.55Å; W337-N366 HydrophobicContact CZ2-CB 3.96Å; W337-N366 HydrophobicContact CZ3-CB 3.91Å; S364-N366 PolarHBondContact O-N 2.94Å; S364-N366 PolarHBondContact OG-N 3.03Å; S364-N366 VanDerWaalsContact OG-N 3.14Å; S364-N366 PolarHBondContact OG-O 3.37Å; N366-Q368 PolarHBondContact O-N 3.28Å
367L81.9Confident88.6Confident37 Ų3737.9 Ų37.919%0.19419%0.187CC..  trans-80.897.3169.7-17570.6000109.2I291 W360 F362 V365 L834I291-L367 HydrophobicContact CG1-CD2 4.16Å; W360-L367 HydrophobicContact CB-CD1 3.54Å; W360-L367 HydrophobicContact CB-CG 4.26Å; W360-L367 HydrophobicContact CD2-CD1 4.24Å; W360-L367 HydrophobicContact CD2-CD2 4.25Å; W360-L367 HydrophobicContact CD2-CG 4.12Å; W360-L367 HydrophobicContact CE3-CD1 4.24Å; W360-L367 HydrophobicContact CE3-CD2 3.99Å; W360-L367 HydrophobicContact CE3-CG 3.69Å; W360-L367 HydrophobicContact CG-CD1 3.99Å; W360-L367 HydrophobicContact CG-CG 4.4Å; W360-L367 HydrophobicContact CZ3-CD2 4.24Å; W360-L367 HydrophobicContact CZ3-CG 4.28Å; F362-L367 HydrophobicContact CD2-CD1 3.46Å; F362-L367 VanDerWaalsContact CD2-CD1 3.46Å; F362-L367 HydrophobicContact CE2-CD1 3.88Å; V365-L367 PolarHBondContact O-N 2.87Å; L367-L834 HydrophobicContact CD2-CD1 4.41Å
368Q85.1Confident88.4Confident76 Ų7638.5 Ų38.536%0.35519%0.19SC..EExtended strand (participates in β ladder)trans-100.3129.7-178.9-175.9176.6-100111.2W360 D361 N366 L370W360-Q368 CarbonylContact C-O 3.52Å; W360-Q368 VanDerWaalsContact CA-O 3.29Å; W360-Q368 WeakPolarHBondContact CA-O 3.1Å; D361-Q368 HydrophobicContact CB-CB 4.29Å; D361-Q368 PolarHBondContact N-O 3.47Å; D361-Q368 PolarHBondContact O-N 3.14Å; N366-Q368 PolarHBondContact O-N 3.28Å; Q368-L370 PolarHBondContact O-N 2.83Å
369I88.2Confident88.3Confident39 Ų3938.5 Ų38.520%0.219%0.19CC..EExtended strand (participates in β ladder)trans-75.2128.9173.8-156.8173.2000111.8K358 F359 W360 R372K358-I369 HydrophobicContact CB-CD1 4.14Å; K358-I369 HydrophobicContact CD-CD1 3.89Å; K358-I369 HydrophobicContact CG-CD1 4.09Å; F359-I369 WeakPolarHBondContact O-CG1 3.24Å; W360-I369 HydrophobicContact CD2-CB 4.49Å; W360-I369 HydrophobicContact CD2-CG1 4.27Å; W360-I369 HydrophobicContact CE3-CB 3.69Å; W360-I369 HydrophobicContact CE3-CG1 3.93Å; W360-I369 HydrophobicContact CH2-CB 4.46Å; W360-I369 HydrophobicContact CH2-CD1 4.14Å; W360-I369 HydrophobicContact CH2-CG1 4.42Å; W360-I369 HydrophobicContact CZ2-CD1 4.41Å; W360-I369 HydrophobicContact CZ3-CB 3.68Å; W360-I369 HydrophobicContact CZ3-CD1 4.18Å; W360-I369 HydrophobicContact CZ3-CG1 4.02Å; I369-R372 HydrophobicContact CD1-CG 3.45Å; I369-R372 VanDerWaalsContact CD1-CG 3.45Å; I369-R372 VanDerWaalsContact CD1-NE 3.31Å; I369-R372 HydrophobicContact CG1-CG 4.39Å
370L92.2Very high88Confident7 Ų743.3 Ų43.34%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-99.4-41.5-179-65.1175.4000112.5I310 L313 Y314 G317 L347 F359 D361 Q368I310-L370 HydrophobicContact CD1-CD1 3.81Å; I310-L370 HydrophobicContact CG2-CD1 4.02Å; I310-L370 HydrophobicContact CG2-CD2 4.4Å; L313-L370 HydrophobicContact CB-CB 4.01Å; L313-L370 HydrophobicContact CB-CD1 4.48Å; L313-L370 HydrophobicContact CD1-CD1 4.46Å; Y314-L370 HydrophobicContact CD2-CD2 4.27Å; G317-L370 VanDerWaalsContact CA-O 3.3Å; G317-L370 WeakPolarHBondContact CA-O 3.34Å; L347-L370 HydrophobicContact CD1-CD1 4.02Å; F359-L370 HydrophobicContact CB-CB 4.37Å; F359-L370 PolarHBondContact O-N 3.15Å; D361-L370 HydrophobicContact CB-CD1 3.95Å; D361-L370 HydrophobicContact CB-CD2 4.06Å; D361-L370 HydrophobicContact CB-CG 3.99Å; Q368-L370 PolarHBondContact O-N 2.83Å
371Y93.6Very high87.7Confident8 Ų848 Ų483%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-158.3144.2-173.9178.5-108.9000111.2L313 V316 Q320 F359 L373 Y494L313-Y371 HydrophobicContact CD2-CD1 4.28Å; L313-Y371 HydrophobicContact CD2-CG 4.29Å; V316-Y371 HydrophobicContact CG2-CD2 3.69Å; V316-Y371 HydrophobicContact CG2-CE2 3.97Å; V316-Y371 HydrophobicContact CG2-CG 4.41Å; Q320-Y371 VanDerWaalsContact NE2-CE2 3.27Å; F359-Y371 AromaticContact CD2-CD1 3.61Å; F359-Y371 HydrophobicContact CD2-CD1 3.61Å; F359-Y371 HydrophobicContact CD2-CG 4.4Å; F359-Y371 AromaticContact CE2-CD1 3.79Å; F359-Y371 HydrophobicContact CE2-CD1 3.79Å; F359-Y371 HydrophobicContact CE2-CE1 4.32Å; F359-Y371 HydrophobicContact CG-CD1 4.37Å; F359-Y371 PolarHBondContact N-O 3.38Å; F359-Y371 PolarHBondContact O-N 2.78Å; Y371-L373 HydrophobicContact CE1-CB 3.96Å; Y371-Y494 AromaticContact CD1-CD2 3.99Å; Y371-Y494 HydrophobicContact CD1-CD2 3.99Å; Y371-Y494 AromaticContact CE1-CD2 3.64Å; Y371-Y494 HydrophobicContact CE1-CD2 3.64Å; Y371-Y494 HydrophobicContact CE1-CG 4.4Å; Y371-Y494 PolarHBondContact OH-N 3.35Å
372R92.4Very high87Confident78 Ų7851.1 Ų51.129%0.29426%0.257SS..EExtended strand (participates in β ladder)trans-119.5129.9175.7-59.7-175.7-162.3-109-6.8110.4Q320 K358 I369Q320-R372 PolarHBondContact NE2-O 3.34Å; Q320-R372 PolarHBondContact OE1-O 3.33Å; K358-R372 HydrophobicContact CG-CG 4.41Å; I369-R372 HydrophobicContact CD1-CG 3.45Å; I369-R372 VanDerWaalsContact CD1-CG 3.45Å; I369-R372 VanDerWaalsContact CD1-NE 3.31Å; I369-R372 HydrophobicContact CG1-CG 4.39Å
373L94.3Very high85.9Confident14 Ų1452.7 Ų52.77%0.07327%0.266CS..EExtended strand (participates in β ladder)trans-115.6141.1172-177.863.5000108.9S356 V357 Y371 L407 I409 F419S356-L373 CarbonylContact C-O 3.57Å; S356-L373 WeakPolarHBondContact CA-O 3.15Å; V357-L373 HydrophobicContact CB-CB 4.24Å; V357-L373 PolarHBondContact N-O 3.07Å; V357-L373 PolarHBondContact O-N 3.39Å; Y371-L373 HydrophobicContact CE1-CB 3.96Å; L373-L407 HydrophobicContact CD2-CD2 3.87Å; L373-I409 HydrophobicContact CD2-CD1 3.69Å; L373-F419 HydrophobicContact CD1-CD1 4.34Å; L373-F419 HydrophobicContact CD1-CE1 3.92Å; L373-F419 HydrophobicContact CD1-CZ 4.42Å; L373-F419 HydrophobicContact CD2-CD1 4.17Å; L373-F419 HydrophobicContact CD2-CD2 4.19Å; L373-F419 HydrophobicContact CD2-CE1 3.97Å; L373-F419 HydrophobicContact CD2-CE2 3.97Å; L373-F419 HydrophobicContact CD2-CG 4.3Å; L373-F419 HydrophobicContact CD2-CZ 3.87Å; L373-F419 HydrophobicContact CG-CE1 4.4Å; L373-F419 HydrophobicContact CG-CZ 4.44Å
374R93Very high84.6Confident143 Ų14357 Ų5754%0.5430%0.295SS..EExtended strand (participates in β ladder)trans-127.4108.9176.1-72.1-175176.3175.6-0.1108.9K377R374-K377 HydrophobicContact CB-CD 4.22Å; R374-K377 HydrophobicContact CB-CG 4.1Å
375T94.2Very high83.6Confident1 Ų162.1 Ų62.11%0.00631%0.313CS..G310 helixtrans-72.3-36.2-176.360.90000111.8G355 K377 L378 F379 I395 I417 F419G355-T375 PolarHBondContact O-N 2.79Å; G355-T375 PolarHBondContact O-OG1 3.2Å; T375-K377 PolarHBondContact O-N 3.27Å; T375-L378 WeakPolarHBondContact O-CB 3.37Å; T375-L378 WeakPolarHBondContact O-CG 3.31Å; T375-L378 PolarHBondContact O-N 3.08Å; T375-F379 WeakPolarHBondContact O-CD2 3.21Å; T375-I395 HydrophobicContact CG2-CD1 4.05Å; T375-I417 HydrophobicContact CG2-CD1 4.15Å; T375-F419 HydrophobicContact CG2-CZ 4.3Å
376A90.2Very high82.7Confident30 Ų3059 Ų5925%0.24830%0.295CS..G310 helixtrans-55.3-24178.300000113.8L378 F379 F393A376-L378 PolarHBondContact O-N 3.13Å; A376-F379 PolarHBondContact O-N 3.13Å; A376-F393 HydrophobicContact CB-CB 4.29Å; A376-F393 HydrophobicContact CB-CD1 4.05Å; A376-F393 HydrophobicContact CB-CD2 3.73Å; A376-F393 HydrophobicContact CB-CE1 4.33Å; A376-F393 HydrophobicContact CB-CE2 4.03Å; A376-F393 HydrophobicContact CB-CG 3.74Å; A376-F393 HydrophobicContact CB-CZ 4.32Å
377K90.1Very high81.7Confident125 Ų12566.1 Ų66.154%0.54332%0.319SS..G310 helixtrans-63.4-20.3175.3-72.4-172.5174.3-177.10113.5R374 T375 F379 K484R374-K377 HydrophobicContact CB-CD 4.22Å; R374-K377 HydrophobicContact CB-CG 4.1Å; T375-K377 PolarHBondContact O-N 3.27Å; K377-F379 VanDerWaalsContact C-N 3.35Å; K377-K484 WeakPolarHBondContact O-CD 3.38Å
378L90.9Very high80.5Confident13 Ų1370.3 Ų70.37%0.06835%0.351CS..G310 helixtrans-83.2-11.5-178-59.8171.3000113.2T375 A376 I417 F419 V483 K484 A496T375-L378 WeakPolarHBondContact O-CB 3.37Å; T375-L378 WeakPolarHBondContact O-CG 3.31Å; T375-L378 PolarHBondContact O-N 3.08Å; A376-L378 PolarHBondContact O-N 3.13Å; L378-I417 HydrophobicContact CD1-CD1 4.09Å; L378-I417 HydrophobicContact CD1-CG2 4.27Å; L378-F419 HydrophobicContact CD1-CE1 4.06Å; L378-F419 HydrophobicContact CD1-CZ 3.95Å; L378-V483 WeakPolarHBondContact O-CA 3.15Å; L378-K484 PolarHBondContact O-N 2.8Å; L378-A496 HydrophobicContact CD1-CB 3.89Å; L378-A496 HydrophobicContact CD2-CB 4.23Å
379F91.9Very high79.5Confident6 Ų674.5 Ų74.53%0.02637%0.371CS..EExtended strand (participates in β ladder)trans-126.6153.2-167.7-55.6-79.9000113.1T375 A376 K377 F393 H415 I417 L481 K482 V483 K484 I499 F501T375-F379 WeakPolarHBondContact O-CD2 3.21Å; A376-F379 PolarHBondContact O-N 3.13Å; K377-F379 VanDerWaalsContact C-N 3.35Å; F379-F393 HydrophobicContact CB-CE1 3.74Å; F379-F393 HydrophobicContact CB-CZ 4.1Å; F379-F393 HydrophobicContact CD2-CD1 4.14Å; F379-F393 AromaticContact CD2-CE1 3.67Å; F379-F393 HydrophobicContact CD2-CE1 3.67Å; F379-F393 AromaticContact CG-CE1 3.96Å; F379-F393 HydrophobicContact CG-CE1 3.96Å; F379-H415 AromaticContact CE2-NE2 3.68Å; F379-H415 AromaticContact CZ-CD2 3.84Å; F379-H415 AromaticContact CZ-NE2 3.8Å; F379-I417 HydrophobicContact CE2-CD1 3.69Å; F379-I417 HydrophobicContact CZ-CD1 3.75Å; F379-I417 HydrophobicContact CZ-CG1 4.32Å; F379-L481 HydrophobicContact CD1-CB 4.27Å; F379-L481 HydrophobicContact CG-CD1 4.46Å; F379-K482 CarbonylContact C-O 3.58Å; F379-K482 VanDerWaalsContact CA-O 3.28Å; F379-K482 WeakPolarHBondContact CA-O 3.33Å; F379-V483 HydrophobicContact CD1-CG2 4.08Å; F379-V483 HydrophobicContact CE1-CG2 3.9Å; F379-K484 WeakPolarHBondContact O-CE 3.46Å; F379-K484 PolarHBondContact O-NZ 2.89Å; F379-I499 HydrophobicContact CE1-CD1 4.13Å; F379-I499 HydrophobicContact CE1-CG2 4.13Å; F379-I499 HydrophobicContact CZ-CD1 4.08Å; F379-I499 HydrophobicContact CZ-CG2 4.25Å; F379-F501 HydrophobicContact CD1-CE1 4.39Å; F379-F501 HydrophobicContact CD1-CZ 4.05Å; F379-F501 AromaticContact CE1-CE1 3.93Å; F379-F501 HydrophobicContact CE1-CE1 3.93Å; F379-F501 AromaticContact CE1-CZ 3.7Å; F379-F501 HydrophobicContact CE1-CZ 3.7Å
380E88.4Confident78.9Confident101 Ų10175.7 Ų75.747%0.47238%0.375SS..EExtended strand (participates in β ladder)trans-110.2140.4161.7-79.5167.9-168.700108.9L481 K482 K484E380-L481 WeakPolarHBondContact O-CA 3.31Å; E380-K482 PolarHBondContact N-O 2.75Å; E380-K482 PolarHBondContact O-N 2.99Å; E380-K484 HydrophobicContact CG-CD 4.26Å; E380-K484 HydrophobicContact CG-CG 3.66Å
381I85.6Confident78.7Confident98 Ų9879.8 Ų79.850%0.50340%0.397SS..EExtended strand (participates in β ladder)trans-83.9116.8172.5-58.1172.2000106.4F393 L481I381-F393 HydrophobicContact CD1-CE2 4.31Å; I381-F393 HydrophobicContact CG1-CE2 4.4Å; I381-F393 HydrophobicContact CG1-CZ 4.26Å; I381-L481 HydrophobicContact CG1-CD2 3.97Å
382V78.4Confident78.5Confident97 Ų9780.1 Ų80.159%0.58840%0.399SS*.  trans-91-35.6-175.5179.20000111.7P480 K482V382-P480 PolarHBondContact N-O 2.88Å; V382-P480 VanDerWaalsContact N-O 3.11Å; V382-K482 HydrophobicContact CG2-CB 3.28Å; V382-K482 HydrophobicContact CG2-CD 4.45Å; V382-K482 HydrophobicContact CG2-CG 4.44Å
383D65.4Low78.5Confident55 Ų5577.9 Ų77.929%0.29439%0.391SS..  trans-131.9119.5-173.6-155.5-12.5000112.1H385 F478D383-H385 IonicContact OD1-CE1 2.81Å; D383-H385 IonicContact OD1-CG 3.65Å; D383-H385 PolarHBondContact OD1-N 3.04Å; D383-H385 IonicContact OD1-ND1 3.64Å; D383-H385 PolarHBondContact OD1-ND1 2.93Å; D383-F478 HydrophobicContact CB-CE2 4.49Å
384C56.2Low78.5Confident106 Ų10677.6 Ų77.672%0.71639%0.39SS*.  trans-91.2-1.1-175.960.50000114.1A386C384-A386 PolarHBondContact O-N 3.48Å
385H55.7Low78.7Confident159 Ų15970.9 Ų70.974%0.73637%0.365SS*.  trans-69.3-20.3177.6-6792.2000113.2D383 R387D383-H385 IonicContact OD1-CE1 2.81Å; D383-H385 IonicContact OD1-CG 3.65Å; D383-H385 PolarHBondContact OD1-N 3.04Å; D383-H385 IonicContact OD1-ND1 3.64Å; D383-H385 PolarHBondContact OD1-ND1 2.93Å; H385-R387 PolarHBondContact O-N 2.85Å
386A54.8Low78.7Confident9 Ų972.2 Ų72.27%0.07437%0.373CS..SBendtrans-71.9114.716500000108C384 S388 F392C384-A386 PolarHBondContact O-N 3.48Å; A386-S388 PolarHBondContact O-N 2.88Å; A386-F392 HydrophobicContact CB-CE1 4.08Å; A386-F392 HydrophobicContact CB-CZ 3.65Å
387R52.8Low79.1Confident187 Ų18773.5 Ų73.571%0.70637%0.374SS*.  trans-13.3124.5-177.4-70.4-178.2172.2-179-1.9113.7H385 E389 F390H385-R387 PolarHBondContact O-N 2.85Å; R387-E389 PolarHBondContact O-N 3.43Å; R387-F390 PolarHBondContact O-N 3.07Å
388S57.7Low79.4Confident124 Ų12468.6 Ų68.687%0.86735%0.353SS*.THydrogen-bonded Turntrans-51.6-12.6175.854.80000115.3A386A386-S388 PolarHBondContact O-N 2.88Å
389E64.3Low79.7Confident164 Ų16468.8 Ų68.877%0.76636%0.357SS*.THydrogen-bonded Turntrans-102.40.1-179.2-61.6-179.9172.200114.4R387 N391R387-E389 PolarHBondContact O-N 3.43Å; E389-N391 PolarHBondContact O-N 3.37Å
390F75.4Confident79.9Confident65 Ų6569.9 Ų69.929%0.28536%0.363SS..  trans-76.8120.9-176.9-161.6-91000112R387 F392 M412 W504 P510R387-F390 PolarHBondContact O-N 3.07Å; F390-F392 VanDerWaalsContact C-N 3.3Å; F390-F392 HydrophobicContact CB-CE1 4.4Å; F390-F392 HydrophobicContact CB-CE2 4.2Å; F390-F392 HydrophobicContact CB-CZ 4.06Å; F390-F392 AromaticContact CD1-CD1 3.55Å; F390-F392 HydrophobicContact CD1-CD1 3.55Å; F390-F392 HydrophobicContact CD1-CD2 4.4Å; F390-F392 AromaticContact CD1-CE1 3.69Å; F390-F392 HydrophobicContact CD1-CE1 3.69Å; F390-F392 AromaticContact CD1-CG 3.93Å; F390-F392 HydrophobicContact CD1-CG 3.93Å; F390-F392 HydrophobicContact CD1-CZ 4.18Å; F390-F392 HydrophobicContact CE1-CD1 4.09Å; F390-F392 HydrophobicContact CE1-CE1 4.44Å; F390-F392 HydrophobicContact CG-CE1 4.36Å; F390-F392 VanDerWaalsContact O-CD2 3.24Å; F390-F392 WeakPolarHBondContact O-CD2 3.32Å; F390-F392 PolarHBondContact O-N 3.48Å; F390-M412 HydrophobicContact CE1-CG 3.97Å; F390-M412 HydrophobicContact CZ-CG 3.65Å; F390-W504 HydrophobicContact CE1-CH2 4.33Å; F390-P510 HydrophobicContact CZ-CG 3.9Å
391N86.7Confident80.3Confident92 Ų9265.6 Ų65.649%0.49234%0.344SS..  trans-80.371.2179.2-66.4-52000111.7V353 E389 F393 S394V353-N391 HydrophobicContact CG1-CB 3.8Å; V353-N391 VanDerWaalsContact CG1-CG 3.4Å; V353-N391 WeakPolarHBondContact CG1-ND2 3.31Å; E389-N391 PolarHBondContact O-N 3.37Å; N391-F393 PolarHBondContact O-N 3.14Å; N391-S394 VanDerWaalsContact O-CB 3.26Å; N391-S394 WeakPolarHBondContact O-CB 3.49Å; N391-S394 PolarHBondContact O-N 3.07Å
392F89.6Confident80.6Confident16 Ų1662.5 Ų62.57%0.0733%0.33CS..THydrogen-bonded Turntrans-50.6-35.6-176.4-64-76.8000114.2A386 F390 S411 A413 P480 L481 W504A386-F392 HydrophobicContact CB-CE1 4.08Å; A386-F392 HydrophobicContact CB-CZ 3.65Å; F390-F392 VanDerWaalsContact C-N 3.3Å; F390-F392 HydrophobicContact CB-CE1 4.4Å; F390-F392 HydrophobicContact CB-CE2 4.2Å; F390-F392 HydrophobicContact CB-CZ 4.06Å; F390-F392 AromaticContact CD1-CD1 3.55Å; F390-F392 HydrophobicContact CD1-CD1 3.55Å; F390-F392 HydrophobicContact CD1-CD2 4.4Å; F390-F392 AromaticContact CD1-CE1 3.69Å; F390-F392 HydrophobicContact CD1-CE1 3.69Å; F390-F392 AromaticContact CD1-CG 3.93Å; F390-F392 HydrophobicContact CD1-CG 3.93Å; F390-F392 HydrophobicContact CD1-CZ 4.18Å; F390-F392 HydrophobicContact CE1-CD1 4.09Å; F390-F392 HydrophobicContact CE1-CE1 4.44Å; F390-F392 HydrophobicContact CG-CE1 4.36Å; F390-F392 VanDerWaalsContact O-CD2 3.24Å; F390-F392 WeakPolarHBondContact O-CD2 3.32Å; F390-F392 PolarHBondContact O-N 3.48Å; F392-S411 PolarHBondContact O-OG 3.39Å; F392-A413 HydrophobicContact CB-CB 4.16Å; F392-A413 HydrophobicContact CD1-CB 4.21Å; F392-A413 WeakPolarHBondContact O-CB 3.38Å; F392-A413 PolarHBondContact O-N 2.8Å; F392-P480 HydrophobicContact CD1-CB 4.21Å; F392-P480 HydrophobicContact CD1-CG 3.95Å; F392-P480 HydrophobicContact CE1-CB 3.69Å; F392-P480 HydrophobicContact CE1-CG 3.79Å; F392-P480 HydrophobicContact CZ-CB 4.3Å; F392-L481 HydrophobicContact CB-CD1 4.39Å; F392-L481 HydrophobicContact CB-CD2 4.36Å; F392-L481 HydrophobicContact CG-CD2 4.49Å; F392-W504 HydrophobicContact CD1-CH2 4.34Å; F392-W504 HydrophobicContact CD1-CZ2 4.3Å; F392-W504 AromaticContact CE1-CH2 3.86Å; F392-W504 HydrophobicContact CE1-CH2 3.86Å; F392-W504 HydrophobicContact CE1-CZ2 4.22Å
393F93.3Very high81.2Confident31 Ų3158.3 Ų58.314%0.13631%0.305CS..THydrogen-bonded Turntrans-91.6-2.1-174.8-53.3-65.4000113.9G355 A376 F379 I381 N391 I395 L481G355-F393 WeakPolarHBondContact CA-O 3.29Å; G355-F393 PolarHBondContact N-O 2.92Å; A376-F393 HydrophobicContact CB-CB 4.29Å; A376-F393 HydrophobicContact CB-CD1 4.05Å; A376-F393 HydrophobicContact CB-CD2 3.73Å; A376-F393 HydrophobicContact CB-CE1 4.33Å; A376-F393 HydrophobicContact CB-CE2 4.03Å; A376-F393 HydrophobicContact CB-CG 3.74Å; A376-F393 HydrophobicContact CB-CZ 4.32Å; F379-F393 HydrophobicContact CB-CE1 3.74Å; F379-F393 HydrophobicContact CB-CZ 4.1Å; F379-F393 HydrophobicContact CD2-CD1 4.14Å; F379-F393 AromaticContact CD2-CE1 3.67Å; F379-F393 HydrophobicContact CD2-CE1 3.67Å; F379-F393 AromaticContact CG-CE1 3.96Å; F379-F393 HydrophobicContact CG-CE1 3.96Å; I381-F393 HydrophobicContact CD1-CE2 4.31Å; I381-F393 HydrophobicContact CG1-CE2 4.4Å; I381-F393 HydrophobicContact CG1-CZ 4.26Å; N391-F393 PolarHBondContact O-N 3.14Å; F393-I395 WeakPolarHBondContact O-CD1 3.28Å; F393-I395 PolarHBondContact O-N 2.82Å; F393-I395 VanDerWaalsContact O-N 3.15Å; F393-L481 HydrophobicContact CD1-CD1 4.41Å; F393-L481 HydrophobicContact CE1-CD1 3.78Å; F393-L481 HydrophobicContact CE1-CD2 3.89Å; F393-L481 HydrophobicContact CE1-CG 4.49Å; F393-L481 HydrophobicContact CZ-CD1 4.45Å; F393-L481 HydrophobicContact CZ-CD2 3.7Å
394S94.5Very high82.6Confident8 Ų856.1 Ų56.16%0.05630%0.295CS..  trans-55119.5-178.7172.20000111V353 N391 S411 M412V353-S394 WeakPolarHBondContact O-CA 3.4Å; V353-S394 WeakPolarHBondContact O-CB 3.49Å; V353-S394 PolarHBondContact O-N 2.82Å; N391-S394 VanDerWaalsContact O-CB 3.26Å; N391-S394 WeakPolarHBondContact O-CB 3.49Å; N391-S394 PolarHBondContact O-N 3.07Å; S394-S411 CarbonylContact O-C 3.55Å; S394-S411 WeakPolarHBondContact O-CA 3.38Å; S394-M412 PolarHBondContact O-N 3.08Å
395I96Very high84.4Confident1 Ų152 Ų521%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-69.6137-174.8-54.6-55.4000110.4T297 H352 V357 T375 F393 I398 I409 S410T297-I395 WeakPolarHBondContact CB-O 3.41Å; T297-I395 PolarHBondContact OG1-O 3.36Å; H352-I395 WeakPolarHBondContact O-CG1 3.31Å; H352-I395 PolarHBondContact O-N 2.96Å; H352-I395 VanDerWaalsContact O-N 3.08Å; V357-I395 HydrophobicContact CG2-CD1 4.07Å; V357-I395 HydrophobicContact CG2-CG1 3.9Å; V357-I395 HydrophobicContact CG2-CG2 4.49Å; T375-I395 HydrophobicContact CG2-CD1 4.05Å; F393-I395 WeakPolarHBondContact O-CD1 3.28Å; F393-I395 PolarHBondContact O-N 2.82Å; F393-I395 VanDerWaalsContact O-N 3.15Å; I395-I398 HydrophobicContact CG2-CD1 4.24Å; I395-I398 HydrophobicContact CG2-CG1 3.93Å; I395-I409 HydrophobicContact CD1-CG2 3.74Å; I395-I409 HydrophobicContact CG2-CG2 3.78Å; I395-S410 WeakPolarHBondContact CA-O 3.24Å
396T95.6Very high86.4Confident29 Ų2945.4 Ų45.418%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-113.3-42.4179.551.40000112.6C298 S410 S411 M412C298-T396 WeakPolarHBondContact CB-O 2.99Å; T396-S410 PolarHBondContact N-O 3.25Å; T396-S410 WeakPolarHBondContact OG1-CB 3.49Å; T396-S410 PolarHBondContact OG1-O 3.33Å; T396-S410 PolarHBondContact OG1-OG 3.01Å; T396-S411 PolarHBondContact OG1-O 3.38Å; T396-M412 HydrophobicContact CG2-CB 4.37Å; T396-M412 HydrophobicContact CG2-CE 4.04Å; T396-M412 HydrophobicContact CG2-SD 4.4Å
397H97Very high88.5Confident58 Ų5845 Ų4527%0.26923%0.229SC..EExtended strand (participates in β ladder)trans-135.7149.2177.5-59.3-86.9000112.1I409 S410 V513 T514 I516H397-I409 WeakPolarHBondContact O-CA 3.37Å; H397-S410 WeakPolarHBondContact CB-OG 3.37Å; H397-S410 PolarHBondContact CD2-OG 3.37Å; H397-S410 PolarHBondContact N-OG 3.34Å; H397-S410 VanDerWaalsContact N-OG 3.15Å; H397-S410 PolarHBondContact O-N 3.23Å; H397-S410 VanDerWaalsContact O-N 3.07Å; H397-V513 PolarHBondContact CD2-O 3.23Å; H397-V513 PolarHBondContact NE2-O 3.49Å; H397-T514 PolarHBondContact CE1-O 2.78Å; H397-T514 PolarHBondContact NE2-O 2.87Å; H397-I516 HydrophobicContact CB-CD1 3.84Å; H397-I516 HydrophobicContact CB-CG1 4.07Å
398I97.4Very high90.6Very high22 Ų2236.1 Ų36.111%0.11320%0.196CC..EExtended strand (participates in β ladder)trans-131.9122.1174.5-64.2171.2000107.9A300 I349 V357 I395 L407A300-I398 HydrophobicContact CB-CB 4.4Å; A300-I398 HydrophobicContact CB-CG2 4.09Å; I349-I398 HydrophobicContact CD1-CG2 4.42Å; I349-I398 HydrophobicContact CG2-CD1 3.96Å; I349-I398 HydrophobicContact CG2-CG2 4.17Å; V357-I398 HydrophobicContact CG1-CD1 4.1Å; I395-I398 HydrophobicContact CG2-CD1 4.24Å; I395-I398 HydrophobicContact CG2-CG1 3.93Å; I398-L407 HydrophobicContact CG2-CD1 3.86Å
399A96.6Very high92.6Very high17 Ų1730.2 Ų30.214%0.1416%0.155CC..EExtended strand (participates in β ladder)trans-123.4108.2173.400000109.6L407 A408 I516A399-L407 CarbonylContact O-C 3.55Å; A399-L407 WeakPolarHBondContact O-CA 3.28Å; A399-A408 HydrophobicContact CB-CB 4.34Å; A399-A408 PolarHBondContact N-O 3.43Å; A399-A408 PolarHBondContact O-N 2.63Å; A399-I516 HydrophobicContact CB-CB 4.32Å; A399-I516 HydrophobicContact CB-CG2 4.01Å
400L96.8Very high94.2Very high29 Ų2922.5 Ų22.515%0.15212%0.118CC..EExtended strand (participates in β ladder)trans-101.7132.9175.7172.963.2000109.7L302 L309 L347 I349 P402 Y406 L407 Y494L302-L400 HydrophobicContact CD1-CD2 3.53Å; L302-L400 HydrophobicContact CD1-CG 4.4Å; L309-L400 HydrophobicContact CD2-CD2 4.12Å; L347-L400 HydrophobicContact CD2-CD2 3.91Å; I349-L400 HydrophobicContact CD1-CB 4.04Å; I349-L400 HydrophobicContact CD1-CD2 3.53Å; I349-L400 HydrophobicContact CD1-CG 4.35Å; L400-P402 HydrophobicContact CD2-CG 4.44Å; L400-P402 HydrophobicContact CG-CG 4.3Å; L400-P402 WeakPolarHBondContact O-CD 3.11Å; L400-Y406 WeakPolarHBondContact CD1-O 3.24Å; L400-L407 HydrophobicContact CB-CD1 4.11Å; L400-L407 HydrophobicContact CD1-CB 4.42Å; L400-L407 HydrophobicContact CD1-CD1 4.35Å; L400-Y494 VanDerWaalsContact CD1-OH 3.24Å; L400-Y494 WeakPolarHBondContact CD1-OH 3.41Å
401C95.5Very high95.1Very high11 Ų1119.5 Ų19.57%0.07411%0.106CC..EExtended strand (participates in β ladder)trans-100.8100.9162.5-178.60000109.4A403 S404 R405 Y406 L518 S520C401-A403 VanDerWaalsContact C-N 3.29Å; C401-A403 PolarHBondContact O-N 2.68Å; C401-S404 VanDerWaalsContact CB-OG 3.25Å; C401-S404 WeakPolarHBondContact CB-OG 3.21Å; C401-S404 PolarHBondContact O-N 2.83Å; C401-S404 PolarHBondContact O-OG 3.23Å; C401-S404 PolarHBondContact SG-OG 2.97Å; C401-R405 WeakPolarHBondContact O-CA 3.49Å; C401-R405 PolarHBondContact O-N 2.92Å; C401-Y406 PolarHBondContact N-O 3.35Å; C401-L518 HydrophobicContact CB-CD2 3.6Å; C401-S520 PolarHBondContact SG-OG 3.42Å
402P93.5Very high95.3Very high32 Ų3219 Ų1921%0.20810%0.101CC..THydrogen-bonded Turntrans-63.5-33.3-172-23.334.5000113.6L302 P306 L309 L400L302-P402 HydrophobicContact CD1-CG 3.67Å; L302-P402 HydrophobicContact CD2-CG 4.09Å; P306-P402 HydrophobicContact CG-CB 4.18Å; L309-P402 HydrophobicContact CD2-CB 4.05Å; L400-P402 HydrophobicContact CD2-CG 4.44Å; L400-P402 HydrophobicContact CG-CG 4.3Å; L400-P402 WeakPolarHBondContact O-CD 3.11Å
403A91.2Very high95.4Very high9 Ų918.5 Ų18.57%0.07410%0.1CC..THydrogen-bonded Turntrans-69.8-41.4-178.300000112.9C401 V680 K681 F682 F683C401-A403 VanDerWaalsContact C-N 3.29Å; C401-A403 PolarHBondContact O-N 2.68Å; A403-V680 HydrophobicContact CB-CB 3.87Å; A403-V680 HydrophobicContact CB-CG1 4.41Å; A403-V680 HydrophobicContact CB-CG2 3.63Å; A403-K681 CarbonylContact C-O 3.5Å; A403-F682 HydrophobicContact CB-CD1 4.05Å; A403-F682 HydrophobicContact CB-CE1 4.17Å; A403-F682 CarbonylContact O-C 3.54Å; A403-F683 WeakPolarHBondContact O-CB 3.22Å; A403-F683 PolarHBondContact O-N 2.63Å
404S93.6Very high95.3Very high10 Ų1017 Ų177%0.079%0.094CC..THydrogen-bonded Turntrans-92.8-18.2-179.863.70000113.5C401 Y406 S520 K681C401-S404 VanDerWaalsContact CB-OG 3.25Å; C401-S404 WeakPolarHBondContact CB-OG 3.21Å; C401-S404 PolarHBondContact O-N 2.83Å; C401-S404 PolarHBondContact O-OG 3.23Å; C401-S404 PolarHBondContact SG-OG 2.97Å; S404-Y406 PolarHBondContact O-N 2.78Å; S404-Y406 WeakPolarHBondContact OG-CD2 3.38Å; S404-Y406 PolarHBondContact OG-N 3.49Å; S404-S520 VanDerWaalsContact CB-CB 3.45Å; S404-S520 VanDerWaalsContact OG-CB 3.27Å; S404-S520 WeakPolarHBondContact OG-CB 3.42Å; S404-K681 WeakPolarHBondContact CA-O 3.49Å; S404-K681 WeakPolarHBondContact CB-O 3.34Å; S404-K681 PolarHBondContact N-O 2.68Å
405R95.5Very high95.2Very high19 Ų1916.8 Ų16.87%0.0729%0.092CC..THydrogen-bonded Turntrans58.534.1-171.9-45.9-174.3-177.9169.50.1113.1D308 L309 A312 C401 F421 Y494 F683D308-R405 PolarHBondContact O-NH2 3.28Å; L309-R405 HydrophobicContact CD1-CG 4.03Å; A312-R405 VanDerWaalsContact CB-NH1 3.3Å; C401-R405 WeakPolarHBondContact O-CA 3.49Å; C401-R405 PolarHBondContact O-N 2.92Å; R405-F421 HydrophobicContact CB-CB 3.49Å; R405-F421 VanDerWaalsContact CB-CB 3.49Å; R405-F421 HydrophobicContact CB-CG 4.24Å; R405-F421 HydrophobicContact CG-CB 4.48Å; R405-F421 WeakPolarHBondContact O-CB 3.16Å; R405-F421 PolarHBondContact O-N 3.13Å; R405-F421 VanDerWaalsContact O-N 3.1Å; R405-Y494 VanDerWaalsContact O-CE1 3.29Å; R405-Y494 WeakPolarHBondContact O-CE1 3.32Å; R405-F683 HydrophobicContact CB-CD2 4.16Å; R405-F683 HydrophobicContact CG-CB 4.22Å; R405-F683 HydrophobicContact CG-CD2 3.95Å; R405-F683 HydrophobicContact CG-CG 4.17Å
406Y97Very high95.3Very high21 Ų2116.8 Ų16.88%0.0829%0.092CC..EExtended strand (participates in β ladder)trans-86.2140.8162.5-79.2-61.9000110L400 C401 S404 L418 F419 K420 I538L400-Y406 WeakPolarHBondContact CD1-O 3.24Å; C401-Y406 PolarHBondContact N-O 3.35Å; S404-Y406 PolarHBondContact O-N 2.78Å; S404-Y406 WeakPolarHBondContact OG-CD2 3.38Å; S404-Y406 PolarHBondContact OG-N 3.49Å; Y406-L418 HydrophobicContact CD1-CD1 4.35Å; Y406-L418 HydrophobicContact CD1-CD2 4.48Å; Y406-L418 HydrophobicContact CD1-CG 4.41Å; Y406-F419 WeakPolarHBondContact CA-O 3.36Å; Y406-K420 HydrophobicContact CD1-CB 4.01Å; Y406-K420 HydrophobicContact CD1-CG 4.24Å; Y406-K420 HydrophobicContact CE1-CB 3.73Å; Y406-K420 HydrophobicContact CE1-CD 3.89Å; Y406-K420 HydrophobicContact CE1-CG 3.72Å; Y406-I538 HydrophobicContact CE1-CG2 4.5Å
407L98.1Very high95.4Very high0 Ų015.4 Ų15.40%08%0.083CC..EExtended strand (participates in β ladder)trans-132.1119.1-179.9173.377.1000108.5F359 L373 I398 A399 L400 I409 F419 Y494F359-L407 HydrophobicContact CE2-CD2 4.4Å; F359-L407 HydrophobicContact CZ-CD1 4.24Å; F359-L407 HydrophobicContact CZ-CD2 3.74Å; L373-L407 HydrophobicContact CD2-CD2 3.87Å; I398-L407 HydrophobicContact CG2-CD1 3.86Å; A399-L407 CarbonylContact O-C 3.55Å; A399-L407 WeakPolarHBondContact O-CA 3.28Å; L400-L407 HydrophobicContact CB-CD1 4.11Å; L400-L407 HydrophobicContact CD1-CB 4.42Å; L400-L407 HydrophobicContact CD1-CD1 4.35Å; L407-I409 HydrophobicContact CD1-CG1 4.41Å; L407-I409 HydrophobicContact CD2-CD1 3.6Å; L407-I409 HydrophobicContact CD2-CG1 4.18Å; L407-I409 HydrophobicContact CG-CD1 3.97Å; L407-I409 HydrophobicContact CG-CG1 3.97Å; L407-F419 HydrophobicContact CB-CB 4.25Å; L407-F419 HydrophobicContact CD2-CD2 4.32Å; L407-F419 PolarHBondContact N-O 3.39Å; L407-F419 PolarHBondContact O-N 2.94Å; L407-Y494 HydrophobicContact CB-CD1 3.69Å; L407-Y494 HydrophobicContact CB-CE1 3.5Å; L407-Y494 VanDerWaalsContact CB-CE1 3.5Å; L407-Y494 HydrophobicContact CB-CG 4.45Å; L407-Y494 HydrophobicContact CD2-CD1 3.99Å; L407-Y494 HydrophobicContact CD2-CD2 4.06Å; L407-Y494 HydrophobicContact CD2-CE1 4.24Å; L407-Y494 HydrophobicContact CD2-CE2 4.3Å; L407-Y494 HydrophobicContact CD2-CG 3.9Å; L407-Y494 HydrophobicContact CG-CE1 4.47Å
408A98.4Very high95.5Very high0 Ų012.7 Ų12.70%07%0.071CC..EExtended strand (participates in β ladder)trans-105.213717200000110.2A399 I417 L418 I516 L525A399-A408 HydrophobicContact CB-CB 4.34Å; A399-A408 PolarHBondContact N-O 3.43Å; A399-A408 PolarHBondContact O-N 2.63Å; A408-I417 CarbonylContact C-O 3.44Å; A408-I417 VanDerWaalsContact CA-O 3.31Å; A408-I417 WeakPolarHBondContact CA-O 3.21Å; A408-L418 HydrophobicContact CB-CD1 4.12Å; A408-I516 HydrophobicContact CB-CG2 3.85Å; A408-L525 HydrophobicContact CB-CD1 3.76Å
409I98.3Very high95.4Very high1 Ų111.8 Ų11.81%0.0057%0.066CC..EExtended strand (participates in β ladder)trans-135.3135.4-176.3-59.6169.8000108.7V357 L373 I395 H397 L407 V416 I417 F419V357-I409 HydrophobicContact CB-CD1 4.39Å; V357-I409 HydrophobicContact CG1-CD1 4.46Å; V357-I409 HydrophobicContact CG2-CD1 3.81Å; V357-I409 HydrophobicContact CG2-CG2 4.44Å; L373-I409 HydrophobicContact CD2-CD1 3.69Å; I395-I409 HydrophobicContact CD1-CG2 3.74Å; I395-I409 HydrophobicContact CG2-CG2 3.78Å; H397-I409 WeakPolarHBondContact O-CA 3.37Å; L407-I409 HydrophobicContact CD1-CG1 4.41Å; L407-I409 HydrophobicContact CD2-CD1 3.6Å; L407-I409 HydrophobicContact CD2-CG1 4.18Å; L407-I409 HydrophobicContact CG-CD1 3.97Å; L407-I409 HydrophobicContact CG-CG1 3.97Å; I409-V416 CarbonylContact O-C 3.59Å; I409-V416 WeakPolarHBondContact O-CA 3.42Å; I409-I417 PolarHBondContact N-O 2.93Å; I409-I417 PolarHBondContact O-N 2.92Å; I409-F419 HydrophobicContact CB-CE2 4.41Å; I409-F419 HydrophobicContact CD1-CD2 3.93Å; I409-F419 HydrophobicContact CD1-CE2 3.6Å; I409-F419 HydrophobicContact CG1-CD2 4.43Å; I409-F419 HydrophobicContact CG1-CE2 4.26Å
410S97.7Very high95.3Very high1 Ų115.5 Ų15.51%0.0078%0.079CC..EExtended strand (participates in β ladder)trans-111.5159.9164.754.70000112.3I395 T396 H397 H415I395-S410 WeakPolarHBondContact CA-O 3.24Å; T396-S410 PolarHBondContact N-O 3.25Å; T396-S410 WeakPolarHBondContact OG1-CB 3.49Å; T396-S410 PolarHBondContact OG1-O 3.33Å; T396-S410 PolarHBondContact OG1-OG 3.01Å; H397-S410 WeakPolarHBondContact CB-OG 3.37Å; H397-S410 PolarHBondContact CD2-OG 3.37Å; H397-S410 PolarHBondContact N-OG 3.34Å; H397-S410 VanDerWaalsContact N-OG 3.15Å; H397-S410 PolarHBondContact O-N 3.23Å; H397-S410 VanDerWaalsContact O-N 3.07Å; S410-H415 VanDerWaalsContact CA-O 3.29Å; S410-H415 WeakPolarHBondContact CA-O 3.29Å
411S95Very high95.3Very high2 Ų214.3 Ų14.31%0.0147%0.073CC..EExtended strand (participates in β ladder)trans-121172.8174.270.10000112.4F392 S394 T396 A413 G414 H415F392-S411 PolarHBondContact O-OG 3.39Å; S394-S411 CarbonylContact O-C 3.55Å; S394-S411 WeakPolarHBondContact O-CA 3.38Å; T396-S411 PolarHBondContact OG1-O 3.38Å; S411-A413 PolarHBondContact O-N 2.94Å; S411-A413 PolarHBondContact OG-N 3.19Å; S411-G414 PolarHBondContact O-N 3.38Å; S411-H415 WeakPolarHBondContact CB-NE2 3.47Å; S411-H415 PolarHBondContact N-O 3.28Å; S411-H415 PolarHBondContact OG-CD2 3.32Å; S411-H415 VanDerWaalsContact OG-CD2 3.27Å; S411-H415 PolarHBondContact OG-CE1 3.22Å; S411-H415 PolarHBondContact OG-ND1 3.06Å; S411-H415 PolarHBondContact OG-NE2 2.92Å
412M92.1Very high95.1Very high82 Ų8215.6 Ų15.640%0.4048%0.081SC..THydrogen-bonded Turntrans-65.8-25.5176.2-169.863.47100112.7F390 S394 T396 G414 P510F390-M412 HydrophobicContact CE1-CG 3.97Å; F390-M412 HydrophobicContact CZ-CG 3.65Å; S394-M412 PolarHBondContact O-N 3.08Å; T396-M412 HydrophobicContact CG2-CB 4.37Å; T396-M412 HydrophobicContact CG2-CE 4.04Å; T396-M412 HydrophobicContact CG2-SD 4.4Å; M412-G414 PolarHBondContact O-N 3.2Å; M412-P510 WeakPolarHBondContact O-CB 3.25Å
413A90.1Very high94.8Very high5 Ų518.7 Ų18.74%0.0419%0.089CC..THydrogen-bonded Turntrans-73.9-1.6172.100000113.6F392 S411 L481 W504F392-A413 HydrophobicContact CB-CB 4.16Å; F392-A413 HydrophobicContact CD1-CB 4.21Å; F392-A413 WeakPolarHBondContact O-CB 3.38Å; F392-A413 PolarHBondContact O-N 2.8Å; S411-A413 PolarHBondContact O-N 2.94Å; S411-A413 PolarHBondContact OG-N 3.19Å; A413-L481 HydrophobicContact CB-CD1 4.13Å; A413-W504 HydrophobicContact CB-CZ2 4.31Å; A413-W504 PolarHBondContact O-NE1 2.94Å
414G91.3Very high94.5Very high0 Ų025.6 Ų25.60%012%0.12CC..SBendtrans89.8-9.4175.700000115.2S411 M412 N502 E511 V513S411-G414 PolarHBondContact O-N 3.38Å; M412-G414 PolarHBondContact O-N 3.2Å; G414-N502 PolarHBondContact O-ND2 2.8Å; G414-E511 WeakPolarHBondContact CA-O 3.46Å; G414-V513 WeakPolarHBondContact O-CG2 3.37Å
415H93.5Very high93.9Very high4 Ų430.6 Ų30.62%0.01914%0.142CC..  trans-73.7146.9-179.660.5-104.7000112.3F379 S410 S411 C500 F501F379-H415 AromaticContact CE2-NE2 3.68Å; F379-H415 AromaticContact CZ-CD2 3.84Å; F379-H415 AromaticContact CZ-NE2 3.8Å; S410-H415 VanDerWaalsContact CA-O 3.29Å; S410-H415 WeakPolarHBondContact CA-O 3.29Å; S411-H415 WeakPolarHBondContact CB-NE2 3.47Å; S411-H415 PolarHBondContact N-O 3.28Å; S411-H415 PolarHBondContact OG-CD2 3.32Å; S411-H415 VanDerWaalsContact OG-CD2 3.27Å; S411-H415 PolarHBondContact OG-CE1 3.22Å; S411-H415 PolarHBondContact OG-ND1 3.06Å; S411-H415 PolarHBondContact OG-NE2 2.92Å; H415-C500 VanDerWaalsContact CA-O 3.31Å; H415-C500 WeakPolarHBondContact CA-O 3.43Å; H415-C500 WeakPolarHBondContact CB-O 3.44Å; H415-F501 HydrophobicContact CB-CD1 4.12Å; H415-F501 HydrophobicContact CB-CE1 4.37Å
416V97.4Very high93.3Very high0 Ų032.9 Ų32.90%016%0.156CC..EExtended strand (participates in β ladder)trans-116.8128.1176.8-177.20000109.5I409 I499 C500 V513 I516 L525 Y527I409-V416 CarbonylContact O-C 3.59Å; I409-V416 WeakPolarHBondContact O-CA 3.42Å; V416-I499 CarbonylContact O-C 3.54Å; V416-I499 WeakPolarHBondContact O-CA 3.35Å; V416-C500 HydrophobicContact CB-CB 4.21Å; V416-C500 PolarHBondContact N-O 3.27Å; V416-C500 PolarHBondContact O-N 3.27Å; V416-V513 HydrophobicContact CG2-CG1 4.48Å; V416-V513 HydrophobicContact CG2-CG2 3.8Å; V416-I516 HydrophobicContact CG1-CD1 4.13Å; V416-L525 HydrophobicContact CG1-CD2 4.16Å; V416-Y527 HydrophobicContact CB-CD1 4.37Å; V416-Y527 HydrophobicContact CB-CE1 4.2Å; V416-Y527 HydrophobicContact CG1-CD1 4.24Å; V416-Y527 HydrophobicContact CG1-CE1 4.43Å; V416-Y527 HydrophobicContact CG2-CD1 3.98Å; V416-Y527 HydrophobicContact CG2-CD2 3.93Å; V416-Y527 HydrophobicContact CG2-CE1 4Å; V416-Y527 HydrophobicContact CG2-CE2 3.96Å; V416-Y527 HydrophobicContact CG2-CG 3.94Å
417I97.8Very high92.4Very high1 Ų136.7 Ų36.71%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-117.7124.9-177.7-43.6176.1000109T375 L378 F379 A408 I409 F419 A496 I498 I499T375-I417 HydrophobicContact CG2-CD1 4.15Å; L378-I417 HydrophobicContact CD1-CD1 4.09Å; L378-I417 HydrophobicContact CD1-CG2 4.27Å; F379-I417 HydrophobicContact CE2-CD1 3.69Å; F379-I417 HydrophobicContact CZ-CD1 3.75Å; F379-I417 HydrophobicContact CZ-CG1 4.32Å; A408-I417 CarbonylContact C-O 3.44Å; A408-I417 VanDerWaalsContact CA-O 3.31Å; A408-I417 WeakPolarHBondContact CA-O 3.21Å; I409-I417 PolarHBondContact N-O 2.93Å; I409-I417 PolarHBondContact O-N 2.92Å; I417-F419 HydrophobicContact CB-CD2 4.31Å; I417-F419 HydrophobicContact CB-CE2 3.6Å; I417-F419 HydrophobicContact CB-CZ 4.07Å; I417-F419 HydrophobicContact CD1-CE2 4.45Å; I417-F419 HydrophobicContact CD1-CZ 4.3Å; I417-F419 HydrophobicContact CG2-CD2 3.89Å; I417-F419 HydrophobicContact CG2-CE1 4.1Å; I417-F419 HydrophobicContact CG2-CE2 3.28Å; I417-F419 HydrophobicContact CG2-CZ 3.4Å; I417-A496 HydrophobicContact CG2-CB 4.08Å; I417-I498 WeakPolarHBondContact CA-O 3.28Å; I417-I499 HydrophobicContact CG1-CG1 4.3Å; I417-I499 HydrophobicContact CG2-CG1 3.9Å
418L98Very high91.4Very high1 Ų138.3 Ų38.31%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-98.5125.2170-174.872.2000109.8Y406 A408 E497 I498 L518 L525 I538Y406-L418 HydrophobicContact CD1-CD1 4.35Å; Y406-L418 HydrophobicContact CD1-CD2 4.48Å; Y406-L418 HydrophobicContact CD1-CG 4.41Å; A408-L418 HydrophobicContact CB-CD1 4.12Å; L418-E497 PolarHBondContact O-N 3.18Å; L418-I498 HydrophobicContact CB-CB 4.12Å; L418-I498 HydrophobicContact CD2-CD1 4.04Å; L418-I498 HydrophobicContact CD2-CG1 4.4Å; L418-I498 PolarHBondContact N-O 2.99Å; L418-I498 PolarHBondContact O-N 3.26Å; L418-L518 HydrophobicContact CD1-CD1 4.02Å; L418-L525 HydrophobicContact CB-CD2 4.35Å; L418-I538 HydrophobicContact CD2-CB 4.16Å; L418-I538 HydrophobicContact CD2-CD1 3.9Å; L418-I538 HydrophobicContact CD2-CG1 3.8Å; L418-I538 HydrophobicContact CD2-CG2 3.39Å
419F96.9Very high90.7Very high3 Ų344.8 Ų44.81%0.01323%0.233CC..EExtended strand (participates in β ladder)trans-111.5144.5174.5-60.5-96.9000111.2L373 T375 L378 Y406 L407 I409 I417 Y494 I495 A496L373-F419 HydrophobicContact CD1-CD1 4.34Å; L373-F419 HydrophobicContact CD1-CE1 3.92Å; L373-F419 HydrophobicContact CD1-CZ 4.42Å; L373-F419 HydrophobicContact CD2-CD1 4.17Å; L373-F419 HydrophobicContact CD2-CD2 4.19Å; L373-F419 HydrophobicContact CD2-CE1 3.97Å; L373-F419 HydrophobicContact CD2-CE2 3.97Å; L373-F419 HydrophobicContact CD2-CG 4.3Å; L373-F419 HydrophobicContact CD2-CZ 3.87Å; L373-F419 HydrophobicContact CG-CE1 4.4Å; L373-F419 HydrophobicContact CG-CZ 4.44Å; T375-F419 HydrophobicContact CG2-CZ 4.3Å; L378-F419 HydrophobicContact CD1-CE1 4.06Å; L378-F419 HydrophobicContact CD1-CZ 3.95Å; Y406-F419 WeakPolarHBondContact CA-O 3.36Å; L407-F419 HydrophobicContact CB-CB 4.25Å; L407-F419 HydrophobicContact CD2-CD2 4.32Å; L407-F419 PolarHBondContact N-O 3.39Å; L407-F419 PolarHBondContact O-N 2.94Å; I409-F419 HydrophobicContact CB-CE2 4.41Å; I409-F419 HydrophobicContact CD1-CD2 3.93Å; I409-F419 HydrophobicContact CD1-CE2 3.6Å; I409-F419 HydrophobicContact CG1-CD2 4.43Å; I409-F419 HydrophobicContact CG1-CE2 4.26Å; I417-F419 HydrophobicContact CB-CD2 4.31Å; I417-F419 HydrophobicContact CB-CE2 3.6Å; I417-F419 HydrophobicContact CB-CZ 4.07Å; I417-F419 HydrophobicContact CD1-CE2 4.45Å; I417-F419 HydrophobicContact CD1-CZ 4.3Å; I417-F419 HydrophobicContact CG2-CD2 3.89Å; I417-F419 HydrophobicContact CG2-CE1 4.1Å; I417-F419 HydrophobicContact CG2-CE2 3.28Å; I417-F419 HydrophobicContact CG2-CZ 3.4Å; F419-Y494 HydrophobicContact CB-CD1 3.92Å; F419-Y494 HydrophobicContact CB-CG 4.3Å; F419-I495 CarbonylContact C-O 3.59Å; F419-I495 VanDerWaalsContact CA-O 3.24Å; F419-I495 WeakPolarHBondContact CA-O 3.18Å; F419-A496 HydrophobicContact CD1-CB 3.94Å; F419-A496 HydrophobicContact CE1-CB 3.74Å; F419-A496 HydrophobicContact CZ-CB 4.44Å
420K94.6Very high90.4Very high95 Ų9545.8 Ų45.841%0.41324%0.238SC..EExtended strand (participates in β ladder)trans-114.7133170.6-175.4176.6176-178.60109.7Y406 I495 E497Y406-K420 HydrophobicContact CD1-CB 4.01Å; Y406-K420 HydrophobicContact CD1-CG 4.24Å; Y406-K420 HydrophobicContact CE1-CB 3.73Å; Y406-K420 HydrophobicContact CE1-CD 3.89Å; Y406-K420 HydrophobicContact CE1-CG 3.72Å; K420-I495 PolarHBondContact N-O 3.23Å; K420-I495 PolarHBondContact O-N 2.85Å; K420-E497 WeakPolarHBondContact CB-OE2 3.46Å; K420-E497 WeakPolarHBondContact CD-OE2 3.2Å
421F95.2Very high90.2Very high4 Ų447.7 Ų47.72%0.01825%0.25CS..EExtended strand (participates in β ladder)trans-73.6128.9176.4-172.8-89.3000111.6A312 L313 V316 R405 R423 G493 Y494 F683A312-F421 HydrophobicContact CB-CE1 3.79Å; A312-F421 HydrophobicContact CB-CZ 3.67Å; L313-F421 HydrophobicContact CD2-CD2 4.45Å; L313-F421 HydrophobicContact CD2-CE2 4.04Å; V316-F421 HydrophobicContact CG1-CE2 4.45Å; V316-F421 HydrophobicContact CG1-CZ 3.95Å; V316-F421 HydrophobicContact CG2-CE2 3.86Å; V316-F421 HydrophobicContact CG2-CZ 4.05Å; R405-F421 HydrophobicContact CB-CB 3.49Å; R405-F421 VanDerWaalsContact CB-CB 3.49Å; R405-F421 HydrophobicContact CB-CG 4.24Å; R405-F421 HydrophobicContact CG-CB 4.48Å; R405-F421 WeakPolarHBondContact O-CB 3.16Å; R405-F421 PolarHBondContact O-N 3.13Å; R405-F421 VanDerWaalsContact O-N 3.1Å; F421-R423 HydrophobicContact CE1-CG 3.86Å; F421-R423 HydrophobicContact CZ-CG 4.35Å; F421-G493 CarbonylContact C-O 3.45Å; F421-G493 WeakPolarHBondContact CA-O 3.44Å; F421-Y494 HydrophobicContact CB-CD1 4.15Å; F421-Y494 HydrophobicContact CB-CE1 3.94Å; F421-Y494 HydrophobicContact CD2-CD2 4.26Å; F421-Y494 HydrophobicContact CD2-CE1 4.38Å; F421-Y494 HydrophobicContact CD2-CE2 4.14Å; F421-Y494 HydrophobicContact CD2-CG 4.45Å; F421-F683 HydrophobicContact CD1-CE2 4.25Å; F421-F683 HydrophobicContact CD1-CZ 4.3Å
422S92.5Very high90.2Very high37 Ų3750.2 Ų50.226%0.25927%0.266SS..EExtended strand (participates in β ladder)trans-137.7138.5170.5179.10000110.3Q424 G492 G493S422-Q424 PolarHBondContact OG-N 3.3Å; S422-Q424 PolarHBondContact OG-O 3.43Å; S422-G492 CarbonylContact O-C 3.56Å; S422-G492 WeakPolarHBondContact O-CA 3.32Å; S422-G493 PolarHBondContact N-O 3.31Å; S422-G493 PolarHBondContact O-N 2.69Å
423R87.1Confident90.3Very high98 Ų9847 Ų4737%0.3725%0.25SC..SBendtrans-79.8-22.7172.3-72.2-174.5172.2159.7-7.9112.8V316 F421 E685V316-R423 HydrophobicContact CG1-CG 4.4Å; F421-R423 HydrophobicContact CE1-CG 3.86Å; F421-R423 HydrophobicContact CZ-CG 4.35Å; R423-E685 WeakPolarHBondContact CD-OE1 3.28Å; R423-E685 IonicContact CZ-OE1 2.73Å; R423-E685 IonicContact CZ-OE2 2.87Å; R423-E685 IonicContact NE-OE1 3.2Å; R423-E685 VanDerWaalsContact NH1-CD 3.32Å; R423-E685 IonicContact NH1-OE1 3.58Å; R423-E685 PolarHBondContact NH1-OE1 3.28Å; R423-E685 IonicContact NH1-OE2 3.46Å; R423-E685 PolarHBondContact NH1-OE2 3.45Å; R423-E685 VanDerWaalsContact NH1-OE2 3.07Å
424Q85Confident90.4Very high153 Ų15351.6 Ų51.672%0.71527%0.274SS*.SBendtrans-83151.1180-64.6-177.9-4.500109.7S422S422-Q424 PolarHBondContact OG-N 3.3Å; S422-Q424 PolarHBondContact OG-O 3.43Å
425E81.6Confident90.4Very high116 Ų11651.7 Ų51.754%0.54227%0.274SS..  trans-67.1138.5167.7-59.3-174.414400108.3K489 R490E425-K489 WeakPolarHBondContact OE1-CE 3.47Å; E425-K489 IonicContact OE1-NZ 3.13Å; E425-K489 WeakPolarHBondContact OE2-CE 3.45Å; E425-K489 IonicContact OE2-NZ 2.85Å; E425-K489 PolarHBondContact OE2-NZ 2.84Å; E425-R490 WeakPolarHBondContact CA-O 3.35Å
426D81.1Confident90Very high67 Ų6753.4 Ų53.436%0.35829%0.286SS..BIsolated β-bridgetrans-122.3143.9178-167.311.3000109.3G428 R490 I495D426-G428 PolarHBondContact OD1-N 2.97Å; D426-R490 PolarHBondContact N-O 2.63Å; D426-R490 PolarHBondContact O-N 3.47Å; D426-I495 HydrophobicContact CB-CD1 3.39Å; D426-I495 HydrophobicContact CB-CG2 4.11Å
427T78Confident89.1Confident100 Ų10055.9 Ų55.961%0.61330%0.301SS*.  trans-121.111.2175.258.40000111.4
428G77.9Confident88.1Confident34 Ų3457 Ų5735%0.35131%0.306SS..PPolyproline II helixtrans-66.2150.417700000113.6D426D426-G428 PolarHBondContact OD1-N 2.97Å
429D84.5Confident86.5Confident137 Ų13759.6 Ų59.673%0.73333%0.332SS*.PPolyproline II helixtrans-72.1150.9175-66.9-40000111.8
430V90.9Very high84.3Confident21 Ų2165 Ų6513%0.12736%0.361CS..PPolyproline II helixtrans-89.5130.8173.5-174.90000108.8V432 R490 A496 I499V430-V432 PolarHBondContact O-N 2.91Å; V430-R490 VanDerWaalsContact CG2-CZ 3.44Å; V430-A496 HydrophobicContact CG1-CB 4.27Å; V430-A496 HydrophobicContact CG2-CB 3.9Å; V430-A496 WeakPolarHBondContact CG2-O 3.24Å; V430-I499 HydrophobicContact CB-CD1 4.44Å; V430-I499 HydrophobicContact CG1-CB 4.3Å; V430-I499 HydrophobicContact CG1-CD1 3.64Å; V430-I499 HydrophobicContact CG1-CG1 3.67Å
431T94.1Very high81.5Confident41 Ų4165.9 Ų65.925%0.25238%0.377SS..EExtended strand (participates in β ladder)trans-77.5119.8173.5-55.30000109.3I433 E497 I498 I499 K541T431-I433 HydrophobicContact CG2-CG1 4.41Å; T431-E497 PolarHBondContact N-O 2.83Å; T431-I498 CarbonylContact O-C 3.54Å; T431-I498 VanDerWaalsContact O-CA 3.27Å; T431-I498 WeakPolarHBondContact O-CA 3.43Å; T431-I499 PolarHBondContact O-N 3.01Å; T431-K541 HydrophobicContact CG2-CB 3.86Å; T431-K541 HydrophobicContact CG2-CD 4.01Å; T431-K541 WeakPolarHBondContact OG1-CD 3.49Å; T431-K541 PolarHBondContact OG1-NZ 2.88Å; T431-K541 VanDerWaalsContact OG1-NZ 3.14Å
432V94.6Very high78.7Confident56 Ų5669.8 Ų69.834%0.33940%0.397SS..EExtended strand (participates in β ladder)trans-97.2129.6175.6-176.40000108.3V430 V483 I499 F501V430-V432 PolarHBondContact O-N 2.91Å; V432-V483 HydrophobicContact CG2-CB 4.21Å; V432-V483 HydrophobicContact CG2-CG1 4.41Å; V432-V483 HydrophobicContact CG2-CG2 3.81Å; V432-I499 CarbonylContact C-O 3.58Å; V432-I499 WeakPolarHBondContact CA-O 3.39Å; V432-F501 HydrophobicContact CG1-CD2 3.38Å; V432-F501 HydrophobicContact CG1-CE2 3.59Å
433I94.8Very high75.8Confident14 Ų1471 Ų717%0.07241%0.406CS..EExtended strand (participates in β ladder)trans-118110.7177.7-61.1179.4000107.4T431 I498 I499 C500 F501 I536 K541 I543T431-I433 HydrophobicContact CG2-CG1 4.41Å; I433-I498 HydrophobicContact CD1-CG2 3.61Å; I433-I498 HydrophobicContact CG1-CG2 4.07Å; I433-I499 PolarHBondContact N-O 2.91Å; I433-C500 CarbonylContact O-C 3.51Å; I433-C500 VanDerWaalsContact O-CA 3.31Å; I433-C500 WeakPolarHBondContact O-CA 2.98Å; I433-F501 PolarHBondContact O-N 3.34Å; I433-I536 HydrophobicContact CD1-CD1 4.41Å; I433-I536 HydrophobicContact CD1-CG2 3.86Å; I433-I536 HydrophobicContact CG2-CD1 4.35Å; I433-K541 WeakPolarHBondContact CD1-O 3.29Å; I433-I543 HydrophobicContact CG2-CD1 3.7Å; I433-I543 HydrophobicContact CG2-CG1 3.42Å; I433-I543 VanDerWaalsContact CG2-CG1 3.42Å
434D92.1Very high73.4Confident102 Ų10269.6 Ų69.655%0.54542%0.415SS..EExtended strand (participates in β ladder)trans-79.8119.9172.5-62.6-42.5000109.4
435V91.5Very high71Confident1 Ų166.3 Ų66.31%0.00641%0.409CS..EExtended strand (participates in β ladder)trans-89125.1-179.9-176.60000108.1C500 F501 N502 S503 Y527 V534 I543 V546V435-C500 HydrophobicContact CG2-CB 4.17Å; V435-F501 WeakPolarHBondContact CB-O 3.3Å; V435-F501 PolarHBondContact N-O 3.44Å; V435-N502 WeakPolarHBondContact CB-OD1 3.4Å; V435-N502 WeakPolarHBondContact CG2-OD1 3.46Å; V435-S503 PolarHBondContact O-OG 2.94Å; V435-Y527 WeakPolarHBondContact CG2-OH 3.5Å; V435-V534 HydrophobicContact CG1-CG1 4.42Å; V435-V534 HydrophobicContact CG1-CG2 3.88Å; V435-I543 HydrophobicContact CG2-CD1 4.46Å; V435-V546 HydrophobicContact CG1-CG2 4.09Å
436P84.3Confident68.7Low40 Ų4066.4 Ų66.426%0.2641%0.409SS..PPolyproline II helixtrans-64.7147.3-179.627.4-34.8000111.3F438 L442 V546P436-F438 PolarHBondContact O-N 3.38Å; P436-L442 HydrophobicContact CB-CD1 3.84Å; P436-L442 HydrophobicContact CG-CD1 3.92Å; P436-V546 HydrophobicContact CG-CB 4.42Å; P436-V546 HydrophobicContact CG-CG1 4.31Å; P436-V546 HydrophobicContact CG-CG2 4.12Å
437V79Confident66.8Low53 Ų5368.7 Ų68.732%0.32142%0.42SS..PPolyproline II helixtrans-59.7132.2174.8-177.20000110.1N440V437-N440 PolarHBondContact O-N 2.83Å
438F75.9Confident64.6Low25 Ų2569.6 Ų69.611%0.1142%0.422CS..THydrogen-bonded Turntrans-62.1135.9173.4-66.7-86.8000111.2P436 E511 Q531 G532 V534 V546 M547 E548P436-F438 PolarHBondContact O-N 3.38Å; F438-E511 WeakPolarHBondContact CD2-OE1 3.41Å; F438-E511 WeakPolarHBondContact CE2-OE1 3.39Å; F438-Q531 HydrophobicContact CB-CB 3.86Å; F438-Q531 HydrophobicContact CD1-CB 4.49Å; F438-Q531 HydrophobicContact CD2-CB 3.61Å; F438-Q531 HydrophobicContact CE2-CB 4.32Å; F438-Q531 HydrophobicContact CG-CB 3.71Å; F438-G532 VanDerWaalsContact CE1-CA 3.5Å; F438-V534 HydrophobicContact CZ-CG2 3.84Å; F438-V546 HydrophobicContact CD1-CG1 4Å; F438-V546 HydrophobicContact CE1-CG1 3.5Å; F438-V546 HydrophobicContact CZ-CG1 3.87Å; F438-M547 WeakPolarHBondContact CE1-O 3.4Å; F438-E548 HydrophobicContact CB-CG 4.24Å; F438-E548 HydrophobicContact CD1-CB 4.19Å; F438-E548 HydrophobicContact CD1-CG 4.49Å
439G65.2Low62.5Low54 Ų5474.4 Ų74.456%0.55744%0.439SS*.THydrogen-bonded Turntrans92.5-7.3-178.700000115.9P441 E548G439-P441 WeakPolarHBondContact O-CD 3.07Å; G439-E548 VanDerWaalsContact CA-OE2 3.3Å; G439-E548 WeakPolarHBondContact CA-OE2 3.48Å; G439-E548 PolarHBondContact N-OE2 3.37Å
440N50.2Low59.9Low116 Ų11675.4 Ų75.462%0.6244%0.443SS*.  trans-85.9117.2171.3-141.28.8000109.4V437 L442V437-N440 PolarHBondContact O-N 2.83Å; N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 3.47Å
441P35.8Very low57Low115 Ų11581.1 Ų81.175%0.74747%0.468SS*.  trans-70.990.7177.328.9-32.2000108.5G439 S443G439-P441 WeakPolarHBondContact O-CD 3.07Å; P441-S443 PolarHBondContact O-N 2.89Å
442L37.4Very low53.9Low86 Ų8688 Ų8845%0.4550%0.495SS..  trans-59112163.1-75167.9000106.7P436 N440 A444P436-L442 HydrophobicContact CB-CD1 3.84Å; P436-L442 HydrophobicContact CG-CD1 3.92Å; N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 3.47Å; L442-A444 PolarHBondContact O-N 3.44Å; L442-A444 VanDerWaalsContact O-N 3.1Å
443S31Very low50.6Low62 Ų6292.7 Ų92.743%0.43452%0.518SS..  trans-47.1122.2163.8560000107P441 S445 Q446P441-S443 PolarHBondContact O-N 2.89Å; S443-S445 PolarHBondContact O-N 3.25Å; S443-Q446 PolarHBondContact O-N 3.4Å
444A36.3Very low47.3Very low69 Ų6998 Ų9857%0.5755%0.551SS**THydrogen-bonded Turntrans-51.9-15.1-176.800000113.7L442L442-A444 PolarHBondContact O-N 3.44Å; L442-A444 VanDerWaalsContact O-N 3.1Å
445S35Very low44.3Very low84 Ų8498 Ų9859%0.58756%0.559SS**THydrogen-bonded Turntrans-78.6-5.6175.5540000116.8S443S443-S445 PolarHBondContact O-N 3.25Å
446Q32.3Very low41.1Very low117 Ų117103.3 Ų103.355%0.54760%0.596SS.*SBendtrans-101.6-10.7174.5-84.6-174.40.500114.7S443 D448 L449S443-Q446 PolarHBondContact O-N 3.4Å; Q446-D448 PolarHBondContact O-N 3.39Å; Q446-L449 PolarHBondContact O-N 2.81Å
447I42.7Very low38.4Very low115 Ų115106.9 Ų106.959%0.5962%0.622SS**G310 helixtrans-66.6-28172.3-62.5177.1000110.6
448D32.2Very low35.8Very low119 Ų119109.8 Ų109.864%0.63665%0.645SS**G310 helixtrans-79.6-16.8174.8-76.9-23.5000114Q446 H451Q446-D448 PolarHBondContact O-N 3.39Å; D448-H451 PolarHBondContact O-ND1 3.1Å; D448-H451 VanDerWaalsContact O-ND1 3.13Å
449L33.6Very low33.6Very low136 Ų136117.5 Ų117.571%0.71268%0.681SS**G310 helixtrans-95.62.8-176.2-70.7174.8000115.1Q446 H451Q446-L449 PolarHBondContact O-N 2.81Å; L449-H451 PolarHBondContact O-N 3.38Å
450L30.1Very low31.6Very low157 Ų157122 Ų12282%0.82269%0.692SS**G310 helixtrans-80.615.6164.9-69.7174.1000112.9F452L450-F452 PolarHBondContact O-N 2.91Å
451H29.3Very low30.3Very low142 Ų142122.4 Ų122.466%0.65770%0.699SS**  trans-71.193.4163.2-77.559000108.7D448 L449 D453D448-H451 PolarHBondContact O-ND1 3.1Å; D448-H451 VanDerWaalsContact O-ND1 3.13Å; L449-H451 PolarHBondContact O-N 3.38Å; H451-D453 PolarHBondContact O-N 3.21Å
452F28Very low29.9Very low186 Ų186122.3 Ų122.382%0.81670%0.701SS**  trans-63.996.9177.2-164-94.9000110.1L450 V454L450-F452 PolarHBondContact O-N 2.91Å; F452-V454 HydrophobicContact CD1-CG2 3.81Å; F452-V454 HydrophobicContact CE1-CG2 3.98Å; F452-V454 PolarHBondContact O-N 2.8Å
453D25.9Very low29.4Very low154 Ų154122.7 Ų122.782%0.82472%0.716SS**  trans-76.3110.1169.5-117.8-17.6000109.1H451 S455H451-D453 PolarHBondContact O-N 3.21Å; D453-S455 PolarHBondContact O-N 2.91Å; D453-S455 VanDerWaalsContact O-N 3.12Å
454V26.3Very low29.9Very low125 Ų125125.3 Ų125.376%0.75873%0.732SS**  trans-74.295.5171.3178.30000107.6F452F452-V454 HydrophobicContact CD1-CG2 3.81Å; F452-V454 HydrophobicContact CE1-CG2 3.98Å; F452-V454 PolarHBondContact O-N 2.8Å
455S27.3Very low29.4Very low101 Ų101127 Ų12771%0.70674%0.74SS**  trans-145.3116.9156.159.60000112.5D453D453-S455 PolarHBondContact O-N 2.91Å; D453-S455 VanDerWaalsContact O-N 3.12Å
456S25.4Very low29Very low114 Ų114132.6 Ų132.680%0.79776%0.757SS**  trans-46.1129.116050.50000112.6
457S26.7Very low28.9Very low115 Ų115131.1 Ų131.180%0.80476%0.764SS**  -176.9125.3126.641.90000112.3
458S25.3Very low28Very low114 Ų114135 Ų13580%0.79778%0.78SS**  trans-32.9131.8157.6-36.80000115.4
459Q29.3Very low27.7Very low187 Ų187134.1 Ų134.187%0.87478%0.783SS**  trans-16697.9147.3-102.6171.439.800107.2
460N23.5Very low27.4Very low147 Ų147137.6 Ų137.679%0.78679%0.793SS**  59.8109.293.2-82.3-9.1000116.4
461V23.4Very low27.3Very low126 Ų126133 Ų13376%0.76478%0.784SS**  trans59.6117.5132.3-167.80000118.9
462S25.8Very low27.3Very low112 Ų112135.4 Ų135.478%0.78380%0.795SS**  158.5133.1121.4-62.40000112.3
463A28.8Very low27.4Very low94 Ų94131.6 Ų131.678%0.77779%0.791SS**  trans-69.3-178.516100000111.1
464P41.3Very low28.1Very low118 Ų118133.2 Ų133.277%0.76679%0.791SS**  cis-139.2-156.2141.8-20.2000113.8
465S26Very low29Very low104 Ų104132.8 Ų132.873%0.72779%0.788SS**  trans93101.1157.171.70000119.9A467S465-A467 PolarHBondContact O-N 3.29Å
466E25.6Very low30.1Very low202 Ų202133.2 Ų133.294%0.94479%0.789SS**  trans-2.1107.1135.4-64.7170.4173.900115.9
467A29.3Very low31.9Very low86 Ų86130.8 Ų130.871%0.71177%0.772SS**  trans-144.3107.4149.600000107.3S465 S469S465-A467 PolarHBondContact O-N 3.29Å; A467-S469 PolarHBondContact O-N 2.98Å
468E25.3Very low34.2Very low195 Ų195127 Ų12791%0.91174%0.741SS**  trans-62.584.2166.3-65.7-174.2154.600108.9
469S26.1Very low36.7Very low101 Ų101123.9 Ų123.971%0.70671%0.714SS**  trans-96.3116.8159.761.70000107.2A467 G471A467-S469 PolarHBondContact O-N 2.98Å; S469-G471 PolarHBondContact O-N 3.31Å
470F25.6Very low39.1Very low210 Ų210115.2 Ų115.292%0.92167%0.674SS**  trans-56.180165.7-79.2-97.9000109.3
471G29Very low42.2Very low61 Ų61108.5 Ų108.563%0.62964%0.638SS**  trans-72.3131.917200000108.4S469 S473S469-G471 PolarHBondContact O-N 3.31Å; G471-S473 PolarHBondContact O-N 3.42Å; G471-S473 VanDerWaalsContact O-N 3.16Å
472E28.4Very low45.3Very low191 Ų191106.7 Ų106.789%0.89362%0.62SS**  trans-35.3120171.9-69.2170.5151.900110.8K474E472-K474 VanDerWaalsContact C-N 3.27Å; E472-K474 PolarHBondContact O-N 2.8Å
473S31.2Very low48.4Very low106 Ų106102.2 Ų102.274%0.74159%0.588SS**  trans-59.989.6176.8177.90000109.2G471 V475G471-S473 PolarHBondContact O-N 3.42Å; G471-S473 VanDerWaalsContact O-N 3.16Å; S473-V475 VanDerWaalsContact C-N 3.27Å; S473-V475 PolarHBondContact O-N 2.89Å
474K40.4Very low51.2Low188 Ų188101.2 Ų101.282%0.81757%0.566SS**  trans-60.399.7153.5-79.6-176.7177.7-179.40105.2E472 P476E472-K474 VanDerWaalsContact C-N 3.27Å; E472-K474 PolarHBondContact O-N 2.8Å; K474-P476 VanDerWaalsContact O-CD 3.24Å; K474-P476 WeakPolarHBondContact O-CD 3.47Å
475V44.3Very low52.9Low116 Ų116102.7 Ų102.770%0.70356%0.563SS**  trans-54115.1164.5-1800000105.5S473 S477S473-V475 VanDerWaalsContact C-N 3.27Å; S473-V475 PolarHBondContact O-N 2.89Å; V475-S477 PolarHBondContact O-N 3.1Å
476P51.1Low55.2Low111 Ų11199.8 Ų99.872%0.72155%0.549SS*.PPolyproline II helixtrans-64.8125.7-172.523-30.5000109.1K474 F478K474-P476 VanDerWaalsContact O-CD 3.24Å; K474-P476 WeakPolarHBondContact O-CD 3.47Å; P476-F478 PolarHBondContact O-N 3.44Å
477S63.4Low57Low63 Ų6396.2 Ų96.244%0.44154%0.543SS..PPolyproline II helixtrans-59.6116169.247.20000108.6V475 S503V475-S477 PolarHBondContact O-N 3.1Å; S477-S503 WeakPolarHBondContact CB-OG 3.15Å
478F74Confident58.8Low35 Ų3595.1 Ų95.115%0.15452%0.524CS..BIsolated β-bridgetrans-90125.8-178.1-179.1-100.9000110.5D383 P476 P480 W504 V507D383-F478 HydrophobicContact CB-CE2 4.49Å; P476-F478 PolarHBondContact O-N 3.44Å; F478-P480 HydrophobicContact CE1-CB 3.93Å; F478-P480 HydrophobicContact CE1-CG 4.2Å; F478-P480 HydrophobicContact CZ-CB 4.19Å; F478-W504 HydrophobicContact CB-CB 4.29Å; F478-W504 HydrophobicContact CD1-CB 4.14Å; F478-W504 AromaticContact CD1-CD2 3.97Å; F478-W504 HydrophobicContact CD1-CD2 3.97Å; F478-W504 AromaticContact CD1-CE3 3.75Å; F478-W504 HydrophobicContact CD1-CE3 3.75Å; F478-W504 HydrophobicContact CD1-CG 4.16Å; F478-W504 HydrophobicContact CE1-CD2 4.33Å; F478-W504 AromaticContact CE1-CE3 3.85Å; F478-W504 HydrophobicContact CE1-CE3 3.85Å; F478-W504 HydrophobicContact CE1-CZ3 4.16Å; F478-W504 PolarHBondContact O-N 2.82Å; F478-V507 HydrophobicContact CD2-CG2 4.15Å; F478-V507 HydrophobicContact CE1-CG1 4.21Å; F478-V507 HydrophobicContact CE2-CG1 4.37Å; F478-V507 HydrophobicContact CE2-CG2 4.44Å; F478-V507 HydrophobicContact CG-CG2 4.2Å; F478-V507 HydrophobicContact CZ-CG1 4.06Å
479H79Confident61.1Low49 Ų4992.8 Ų92.823%0.22751%0.511CS..  trans-126.6111.8172.5-60.1-67.7000109L481H479-L481 PolarHBondContact O-N 2.61Å
480P80.1Confident63.6Low4 Ų490 Ų903%0.02649%0.485CS..SBendtrans-73.2-11178.727.9-33.3000113.3V382 F392 F478 W504V382-P480 PolarHBondContact N-O 2.88Å; V382-P480 VanDerWaalsContact N-O 3.11Å; F392-P480 HydrophobicContact CD1-CB 4.21Å; F392-P480 HydrophobicContact CD1-CG 3.95Å; F392-P480 HydrophobicContact CE1-CB 3.69Å; F392-P480 HydrophobicContact CE1-CG 3.79Å; F392-P480 HydrophobicContact CZ-CB 4.3Å; F478-P480 HydrophobicContact CE1-CB 3.93Å; F478-P480 HydrophobicContact CE1-CG 4.2Å; F478-P480 HydrophobicContact CZ-CB 4.19Å; P480-W504 HydrophobicContact CG-CD2 4.46Å; P480-W504 HydrophobicContact CG-CH2 4.04Å; P480-W504 HydrophobicContact CG-CZ2 3.56Å
481L87.1Confident66.2Low7 Ų783.1 Ų83.14%0.03746%0.463CS..EExtended strand (participates in β ladder)trans-122.7144.2-174.4-58.9175.7000110.4F379 E380 I381 F392 F393 A413 H479 F501F379-L481 HydrophobicContact CD1-CB 4.27Å; F379-L481 HydrophobicContact CG-CD1 4.46Å; E380-L481 WeakPolarHBondContact O-CA 3.31Å; I381-L481 HydrophobicContact CG1-CD2 3.97Å; F392-L481 HydrophobicContact CB-CD1 4.39Å; F392-L481 HydrophobicContact CB-CD2 4.36Å; F392-L481 HydrophobicContact CG-CD2 4.49Å; F393-L481 HydrophobicContact CD1-CD1 4.41Å; F393-L481 HydrophobicContact CE1-CD1 3.78Å; F393-L481 HydrophobicContact CE1-CD2 3.89Å; F393-L481 HydrophobicContact CE1-CG 4.49Å; F393-L481 HydrophobicContact CZ-CD1 4.45Å; F393-L481 HydrophobicContact CZ-CD2 3.7Å; A413-L481 HydrophobicContact CB-CD1 4.13Å; H479-L481 PolarHBondContact O-N 2.61Å; L481-F501 HydrophobicContact CB-CE1 4.28Å
482K89.2Confident69Low87 Ų8780.8 Ų80.838%0.37844%0.439SS..EExtended strand (participates in β ladder)trans-119.1143.4167.2-179.1-178.4-179.4-165.70109.4F379 E380 V382 E485F379-K482 CarbonylContact C-O 3.58Å; F379-K482 VanDerWaalsContact CA-O 3.28Å; F379-K482 WeakPolarHBondContact CA-O 3.33Å; E380-K482 PolarHBondContact N-O 2.75Å; E380-K482 PolarHBondContact O-N 2.99Å; V382-K482 HydrophobicContact CG2-CB 3.28Å; V382-K482 HydrophobicContact CG2-CD 4.45Å; V382-K482 HydrophobicContact CG2-CG 4.44Å; K482-E485 VanDerWaalsContact CE-CD 3.46Å; K482-E485 WeakPolarHBondContact CE-OE1 3.41Å; K482-E485 IonicContact NZ-OE1 3.38Å; K482-E485 PolarHBondContact NZ-OE1 3.45Å; K482-E485 VanDerWaalsContact NZ-OE1 3.08Å; K482-E485 IonicContact NZ-OE2 3.38Å; K482-E485 PolarHBondContact NZ-OE2 3Å
483V90.2Very high72.1Confident19 Ų1971.7 Ų71.712%0.11540%0.396CS..EExtended strand (participates in β ladder)trans-71135.31731750000109L378 F379 V432 E485 I499 F501L378-V483 WeakPolarHBondContact O-CA 3.15Å; F379-V483 HydrophobicContact CD1-CG2 4.08Å; F379-V483 HydrophobicContact CE1-CG2 3.9Å; V432-V483 HydrophobicContact CG2-CB 4.21Å; V432-V483 HydrophobicContact CG2-CG1 4.41Å; V432-V483 HydrophobicContact CG2-CG2 3.81Å; V483-E485 PolarHBondContact O-N 3.14Å; V483-I499 HydrophobicContact CG1-CD1 4.33Å; V483-I499 HydrophobicContact CG2-CD1 3.7Å; V483-I499 HydrophobicContact CG2-CG2 4.44Å; V483-F501 HydrophobicContact CG2-CE2 3.62Å; V483-F501 HydrophobicContact CG2-CZ 3.68Å
484K88.7Confident75.1Confident72 Ų7267 Ų6731%0.31336%0.362SS..PPolyproline II helixtrans-61.5119.1174.9-78.1-176.9175.51580110.4K377 L378 F379 E380 M488K377-K484 WeakPolarHBondContact O-CD 3.38Å; L378-K484 PolarHBondContact O-N 2.8Å; F379-K484 WeakPolarHBondContact O-CE 3.46Å; F379-K484 PolarHBondContact O-NZ 2.89Å; E380-K484 HydrophobicContact CG-CD 4.26Å; E380-K484 HydrophobicContact CG-CG 3.66Å; K484-M488 HydrophobicContact CB-SD 3.69Å; K484-M488 HydrophobicContact CD-CE 4.25Å; K484-M488 HydrophobicContact CD-SD 4.43Å
485E77.7Confident77.7Confident150 Ų15058.4 Ų58.470%0.70133%0.325SS*.PPolyproline II helixtrans-87.9144176.8-72.2164.7-17500110.4K482 V483K482-E485 VanDerWaalsContact CE-CD 3.46Å; K482-E485 WeakPolarHBondContact CE-OE1 3.41Å; K482-E485 IonicContact NZ-OE1 3.38Å; K482-E485 PolarHBondContact NZ-OE1 3.45Å; K482-E485 VanDerWaalsContact NZ-OE1 3.08Å; K482-E485 IonicContact NZ-OE2 3.38Å; K482-E485 PolarHBondContact NZ-OE2 3Å; V483-E485 PolarHBondContact O-N 3.14Å
486G72.7Confident80Confident42 Ų4253.1 Ų53.143%0.43329%0.294SS..SBendtrans117.2166.9175.800000114.5M488G486-M488 PolarHBondContact O-N 2.97Å
487P63.5Low82Confident127 Ų12749.6 Ų49.683%0.82527%0.267SS*.  trans-67.892-176.627.4-34.1000110.7
488M68.5Low83.6Confident63 Ų6346.6 Ų46.631%0.3125%0.247SC..  trans-90107.7175.5-66.7-172.47600109.5K484 G486 R490K484-M488 HydrophobicContact CB-SD 3.69Å; K484-M488 HydrophobicContact CD-CE 4.25Å; K484-M488 HydrophobicContact CD-SD 4.43Å; G486-M488 PolarHBondContact O-N 2.97Å; M488-R490 PolarHBondContact O-N 3.31Å; M488-R490 VanDerWaalsContact O-N 3.13Å
489K73.2Confident84.7Confident147 Ų14745 Ų4564%0.63924%0.239SC*.  trans-63.9113.9172-175.2174178.3169.60110.1E425E425-K489 WeakPolarHBondContact OE1-CE 3.47Å; E425-K489 IonicContact OE1-NZ 3.13Å; E425-K489 WeakPolarHBondContact OE2-CE 3.45Å; E425-K489 IonicContact OE2-NZ 2.85Å; E425-K489 PolarHBondContact OE2-NZ 2.84Å
490R78.6Confident85.5Confident41 Ų4142.7 Ų42.716%0.15523%0.229CC..BIsolated β-bridgetrans-103.7121.1178.1-66.3172.6-175.4175.30.6110.3E425 D426 V430 M488 A496E425-R490 WeakPolarHBondContact CA-O 3.35Å; D426-R490 PolarHBondContact N-O 2.63Å; D426-R490 PolarHBondContact O-N 3.47Å; V430-R490 VanDerWaalsContact CG2-CZ 3.44Å; M488-R490 PolarHBondContact O-N 3.31Å; M488-R490 VanDerWaalsContact O-N 3.13Å; R490-A496 PolarHBondContact NH1-O 3.38Å; R490-A496 VanDerWaalsContact NH1-O 3.13Å
491S80.8Confident86.1Confident67 Ų6743.2 Ų43.247%0.46923%0.231SC..PPolyproline II helixtrans-59.3147.1170.356.50000110.2
492G86.3Confident86.3Confident11 Ų1143 Ų4311%0.11323%0.23CC..SBendtrans-50147.2174.300000113.1S422S422-G492 CarbonylContact O-C 3.56Å; S422-G492 WeakPolarHBondContact O-CA 3.32Å
493G93.5Very high86Confident0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans141.3-142.4-17500000110.9F421 S422 I495F421-G493 CarbonylContact C-O 3.45Å; F421-G493 WeakPolarHBondContact CA-O 3.44Å; S422-G493 PolarHBondContact N-O 3.31Å; S422-G493 PolarHBondContact O-N 2.69Å; G493-I495 PolarHBondContact O-N 3.49Å
494Y95.7Very high85.6Confident8 Ų838.8 Ų38.83%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-81.5114.9173.3-78.6-73.9000110.2L313 F359 Y371 L400 R405 L407 F419 F421L313-Y494 HydrophobicContact CD2-CD2 4.4Å; L313-Y494 HydrophobicContact CD2-CE2 3.68Å; F359-Y494 HydrophobicContact CD1-CE2 4.43Å; F359-Y494 HydrophobicContact CE1-CD2 4.42Å; F359-Y494 AromaticContact CE1-CE2 3.58Å; F359-Y494 HydrophobicContact CE1-CE2 3.58Å; F359-Y494 HydrophobicContact CE2-CD2 4.14Å; F359-Y494 HydrophobicContact CE2-CE2 4.09Å; F359-Y494 AromaticContact CZ-CD2 3.8Å; F359-Y494 HydrophobicContact CZ-CD2 3.8Å; F359-Y494 AromaticContact CZ-CE2 3.39Å; F359-Y494 HydrophobicContact CZ-CE2 3.39Å; Y371-Y494 AromaticContact CD1-CD2 3.99Å; Y371-Y494 HydrophobicContact CD1-CD2 3.99Å; Y371-Y494 AromaticContact CE1-CD2 3.64Å; Y371-Y494 HydrophobicContact CE1-CD2 3.64Å; Y371-Y494 HydrophobicContact CE1-CG 4.4Å; Y371-Y494 PolarHBondContact OH-N 3.35Å; L400-Y494 VanDerWaalsContact CD1-OH 3.24Å; L400-Y494 WeakPolarHBondContact CD1-OH 3.41Å; R405-Y494 VanDerWaalsContact O-CE1 3.29Å; R405-Y494 WeakPolarHBondContact O-CE1 3.32Å; L407-Y494 HydrophobicContact CB-CD1 3.69Å; L407-Y494 HydrophobicContact CB-CE1 3.5Å; L407-Y494 VanDerWaalsContact CB-CE1 3.5Å; L407-Y494 HydrophobicContact CB-CG 4.45Å; L407-Y494 HydrophobicContact CD2-CD1 3.99Å; L407-Y494 HydrophobicContact CD2-CD2 4.06Å; L407-Y494 HydrophobicContact CD2-CE1 4.24Å; L407-Y494 HydrophobicContact CD2-CE2 4.3Å; L407-Y494 HydrophobicContact CD2-CG 3.9Å; L407-Y494 HydrophobicContact CG-CE1 4.47Å; F419-Y494 HydrophobicContact CB-CD1 3.92Å; F419-Y494 HydrophobicContact CB-CG 4.3Å; F421-Y494 HydrophobicContact CB-CD1 4.15Å; F421-Y494 HydrophobicContact CB-CE1 3.94Å; F421-Y494 HydrophobicContact CD2-CD2 4.26Å; F421-Y494 HydrophobicContact CD2-CE1 4.38Å; F421-Y494 HydrophobicContact CD2-CE2 4.14Å; F421-Y494 HydrophobicContact CD2-CG 4.45Å
495I93.7Very high84.8Confident8 Ų838.1 Ų38.14%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-108.7127.9-176.1-51.4-172.3000108.1F419 K420 D426 G493 E497F419-I495 CarbonylContact C-O 3.59Å; F419-I495 VanDerWaalsContact CA-O 3.24Å; F419-I495 WeakPolarHBondContact CA-O 3.18Å; K420-I495 PolarHBondContact N-O 3.23Å; K420-I495 PolarHBondContact O-N 2.85Å; D426-I495 HydrophobicContact CB-CD1 3.39Å; D426-I495 HydrophobicContact CB-CG2 4.11Å; G493-I495 PolarHBondContact O-N 3.49Å; I495-E497 PolarHBondContact O-N 3.48Å
496A94.3Very high84.5Confident5 Ų533.5 Ų33.54%0.04120%0.198CC..EExtended strand (participates in β ladder)trans-65.8128.6-179.200000109.7L378 I417 F419 V430 R490L378-A496 HydrophobicContact CD1-CB 3.89Å; L378-A496 HydrophobicContact CD2-CB 4.23Å; I417-A496 HydrophobicContact CG2-CB 4.08Å; F419-A496 HydrophobicContact CD1-CB 3.94Å; F419-A496 HydrophobicContact CE1-CB 3.74Å; F419-A496 HydrophobicContact CZ-CB 4.44Å; V430-A496 HydrophobicContact CG1-CB 4.27Å; V430-A496 HydrophobicContact CG2-CB 3.9Å; V430-A496 WeakPolarHBondContact CG2-O 3.24Å; R490-A496 PolarHBondContact NH1-O 3.38Å; R490-A496 VanDerWaalsContact NH1-O 3.13Å
497E93.1Very high84.4Confident36 Ų3634.8 Ų34.817%0.16820%0.197CC..EExtended strand (participates in β ladder)trans-111.9-40.3-179.5-174.6170.1-173.200111.4L418 K420 T431 I495L418-E497 PolarHBondContact O-N 3.18Å; K420-E497 WeakPolarHBondContact CB-OE2 3.46Å; K420-E497 WeakPolarHBondContact CD-OE2 3.2Å; T431-E497 PolarHBondContact N-O 2.83Å; I495-E497 PolarHBondContact O-N 3.48Å
498I96.8Very high84.7Confident1 Ų135.4 Ų35.41%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-134.6135.8179-54.2177.1000109.3I417 L418 T431 I433 I536 I538 K541I417-I498 WeakPolarHBondContact CA-O 3.28Å; L418-I498 HydrophobicContact CB-CB 4.12Å; L418-I498 HydrophobicContact CD2-CD1 4.04Å; L418-I498 HydrophobicContact CD2-CG1 4.4Å; L418-I498 PolarHBondContact N-O 2.99Å; L418-I498 PolarHBondContact O-N 3.26Å; T431-I498 CarbonylContact O-C 3.54Å; T431-I498 VanDerWaalsContact O-CA 3.27Å; T431-I498 WeakPolarHBondContact O-CA 3.43Å; I433-I498 HydrophobicContact CD1-CG2 3.61Å; I433-I498 HydrophobicContact CG1-CG2 4.07Å; I498-I536 HydrophobicContact CD1-CG2 4.41Å; I498-I538 HydrophobicContact CD1-CB 4.47Å; I498-I538 HydrophobicContact CD1-CG2 4.28Å; I498-K541 HydrophobicContact CD1-CB 4.24Å; I498-K541 HydrophobicContact CD1-CG 4.08Å; I498-K541 HydrophobicContact CG1-CD 4.43Å; I498-K541 HydrophobicContact CG1-CG 4.32Å
499I96.8Very high85Confident0 Ų036.7 Ų36.70%020%0.201CC..EExtended strand (participates in β ladder)trans-119.6122.5166.3-68166.8000107.6F379 V416 I417 V430 T431 V432 I433 V483 F501F379-I499 HydrophobicContact CE1-CD1 4.13Å; F379-I499 HydrophobicContact CE1-CG2 4.13Å; F379-I499 HydrophobicContact CZ-CD1 4.08Å; F379-I499 HydrophobicContact CZ-CG2 4.25Å; V416-I499 CarbonylContact O-C 3.54Å; V416-I499 WeakPolarHBondContact O-CA 3.35Å; I417-I499 HydrophobicContact CG1-CG1 4.3Å; I417-I499 HydrophobicContact CG2-CG1 3.9Å; V430-I499 HydrophobicContact CB-CD1 4.44Å; V430-I499 HydrophobicContact CG1-CB 4.3Å; V430-I499 HydrophobicContact CG1-CD1 3.64Å; V430-I499 HydrophobicContact CG1-CG1 3.67Å; T431-I499 PolarHBondContact O-N 3.01Å; V432-I499 CarbonylContact C-O 3.58Å; V432-I499 WeakPolarHBondContact CA-O 3.39Å; I433-I499 PolarHBondContact N-O 2.91Å; V483-I499 HydrophobicContact CG1-CD1 4.33Å; V483-I499 HydrophobicContact CG2-CD1 3.7Å; V483-I499 HydrophobicContact CG2-CG2 4.44Å; I499-F501 HydrophobicContact CG2-CD2 4.36Å; I499-F501 HydrophobicContact CG2-CE1 4.49Å; I499-F501 HydrophobicContact CG2-CE2 4.17Å; I499-F501 HydrophobicContact CG2-CZ 4.25Å
500C96.3Very high85.4Confident1 Ų130.6 Ų30.61%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-97.2120.7171.1-530000109.1H415 V416 I433 V435 Y527H415-C500 VanDerWaalsContact CA-O 3.31Å; H415-C500 WeakPolarHBondContact CA-O 3.43Å; H415-C500 WeakPolarHBondContact CB-O 3.44Å; V416-C500 HydrophobicContact CB-CB 4.21Å; V416-C500 PolarHBondContact N-O 3.27Å; V416-C500 PolarHBondContact O-N 3.27Å; I433-C500 CarbonylContact O-C 3.51Å; I433-C500 VanDerWaalsContact O-CA 3.31Å; I433-C500 WeakPolarHBondContact O-CA 2.98Å; V435-C500 HydrophobicContact CG2-CB 4.17Å; C500-Y527 HydrophobicContact CB-CE1 4.29Å; C500-Y527 WeakPolarHBondContact CB-OH 3.19Å
501F92Very high85.7Confident16 Ų1628.7 Ų28.77%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-95.9111.7171.8-81.7-59.9000110.5F379 H415 V432 I433 V435 L481 V483 I499F379-F501 HydrophobicContact CD1-CE1 4.39Å; F379-F501 HydrophobicContact CD1-CZ 4.05Å; F379-F501 AromaticContact CE1-CE1 3.93Å; F379-F501 HydrophobicContact CE1-CE1 3.93Å; F379-F501 AromaticContact CE1-CZ 3.7Å; F379-F501 HydrophobicContact CE1-CZ 3.7Å; H415-F501 HydrophobicContact CB-CD1 4.12Å; H415-F501 HydrophobicContact CB-CE1 4.37Å; V432-F501 HydrophobicContact CG1-CD2 3.38Å; V432-F501 HydrophobicContact CG1-CE2 3.59Å; I433-F501 PolarHBondContact O-N 3.34Å; V435-F501 WeakPolarHBondContact CB-O 3.3Å; V435-F501 PolarHBondContact N-O 3.44Å; L481-F501 HydrophobicContact CB-CE1 4.28Å; V483-F501 HydrophobicContact CG2-CE2 3.62Å; V483-F501 HydrophobicContact CG2-CZ 3.68Å; I499-F501 HydrophobicContact CG2-CD2 4.36Å; I499-F501 HydrophobicContact CG2-CE1 4.49Å; I499-F501 HydrophobicContact CG2-CE2 4.17Å; I499-F501 HydrophobicContact CG2-CZ 4.25Å
502N90.2Very high86.1Confident3 Ų327.7 Ų27.72%0.01617%0.165CC..EExtended strand (participates in β ladder)trans-79.8131.1168-68.2-44.9000109.3G414 V435 E511 Y527G414-N502 PolarHBondContact O-ND2 2.8Å; V435-N502 WeakPolarHBondContact CB-OD1 3.4Å; V435-N502 WeakPolarHBondContact CG2-OD1 3.46Å; N502-E511 HydrophobicContact CB-CB 4Å; N502-E511 HydrophobicContact CB-CG 4.01Å; N502-E511 WeakPolarHBondContact CB-OE2 3.3Å; N502-Y527 WeakPolarHBondContact ND2-CE2 3.32Å; N502-Y527 PolarHBondContact OD1-OH 2.81Å
503S83Confident86.6Confident5 Ų527.7 Ų27.74%0.03516%0.163CC..PPolyproline II helixtrans-75.6127.6-179.5-65.70000109.6V435 S477 P505V435-S503 PolarHBondContact O-OG 2.94Å; S477-S503 WeakPolarHBondContact CB-OG 3.15Å; S503-P505 WeakPolarHBondContact O-CD 3.48Å
504W81.7Confident86.6Confident12 Ų1231.2 Ų31.25%0.04518%0.184CC..BIsolated β-bridgetrans-67.5128.7179.1-73.924.4000110.4F390 F392 A413 F478 P480 S506 V507 P510F390-W504 HydrophobicContact CE1-CH2 4.33Å; F392-W504 HydrophobicContact CD1-CH2 4.34Å; F392-W504 HydrophobicContact CD1-CZ2 4.3Å; F392-W504 AromaticContact CE1-CH2 3.86Å; F392-W504 HydrophobicContact CE1-CH2 3.86Å; F392-W504 HydrophobicContact CE1-CZ2 4.22Å; A413-W504 HydrophobicContact CB-CZ2 4.31Å; A413-W504 PolarHBondContact O-NE1 2.94Å; F478-W504 HydrophobicContact CB-CB 4.29Å; F478-W504 HydrophobicContact CD1-CB 4.14Å; F478-W504 AromaticContact CD1-CD2 3.97Å; F478-W504 HydrophobicContact CD1-CD2 3.97Å; F478-W504 AromaticContact CD1-CE3 3.75Å; F478-W504 HydrophobicContact CD1-CE3 3.75Å; F478-W504 HydrophobicContact CD1-CG 4.16Å; F478-W504 HydrophobicContact CE1-CD2 4.33Å; F478-W504 AromaticContact CE1-CE3 3.85Å; F478-W504 HydrophobicContact CE1-CE3 3.85Å; F478-W504 HydrophobicContact CE1-CZ3 4.16Å; F478-W504 PolarHBondContact O-N 2.82Å; P480-W504 HydrophobicContact CG-CD2 4.46Å; P480-W504 HydrophobicContact CG-CH2 4.04Å; P480-W504 HydrophobicContact CG-CZ2 3.56Å; W504-S506 PolarHBondContact O-N 3.49Å; W504-V507 VanDerWaalsContact CZ3-O 3.24Å; W504-V507 WeakPolarHBondContact CZ3-O 3.31Å; W504-P510 HydrophobicContact CD2-CB 4.19Å; W504-P510 HydrophobicContact CH2-CB 4.13Å; W504-P510 HydrophobicContact CZ2-CB 3.62Å
505P72.6Confident86.6Confident57 Ų5734.3 Ų34.337%0.3720%0.204SC..SBendtrans-59.5-29.3174.2-25.733.5000113.1S503 L509S503-P505 WeakPolarHBondContact O-CD 3.48Å; P505-L509 WeakPolarHBondContact CD-O 3.35Å
506S71.9Confident86.8Confident54 Ų5434.7 Ų34.738%0.37821%0.206SC..BIsolated β-bridgetrans-152.4159.9171.972.70000110.2W504 N508 L509W504-S506 PolarHBondContact O-N 3.49Å; S506-N508 PolarHBondContact O-N 2.94Å; S506-N508 PolarHBondContact OG-N 3.22Å; S506-L509 PolarHBondContact O-N 2.74Å; S506-L509 VanDerWaalsContact O-N 3.08Å; S506-L509 WeakPolarHBondContact OG-CB 3.15Å; S506-L509 PolarHBondContact OG-N 3.35Å
507V69.4Low86.9Confident68 Ų6837.8 Ų37.841%0.41222%0.224SC..THydrogen-bonded Turntrans-54.3-21.9177-178.80000113.1F478 W504F478-V507 HydrophobicContact CD2-CG2 4.15Å; F478-V507 HydrophobicContact CE1-CG1 4.21Å; F478-V507 HydrophobicContact CE2-CG1 4.37Å; F478-V507 HydrophobicContact CE2-CG2 4.44Å; F478-V507 HydrophobicContact CG-CG2 4.2Å; F478-V507 HydrophobicContact CZ-CG1 4.06Å; W504-V507 VanDerWaalsContact CZ3-O 3.24Å; W504-V507 WeakPolarHBondContact CZ3-O 3.31Å
508N69.9Low87Confident140 Ų14037.7 Ų37.775%0.74923%0.225SC*.THydrogen-bonded Turntrans-103.7-8.2-176.9-65.5-38.7000114.6S506S506-N508 PolarHBondContact O-N 2.94Å; S506-N508 PolarHBondContact OG-N 3.22Å
509L76.2Confident86.9Confident90 Ų9039 Ų3947%0.47123%0.232SC..BIsolated β-bridgetrans-127.9102.1-174.2-168.769.6000109.8P505 S506P505-L509 WeakPolarHBondContact CD-O 3.35Å; S506-L509 PolarHBondContact O-N 2.74Å; S506-L509 VanDerWaalsContact O-N 3.08Å; S506-L509 WeakPolarHBondContact OG-CB 3.15Å; S506-L509 PolarHBondContact OG-N 3.35Å
510P80.6Confident86.7Confident19 Ų1939.2 Ų39.212%0.12323%0.233CC..  trans-63.7146.9170.528.7-36000110.5F390 M412 W504 A512F390-P510 HydrophobicContact CZ-CG 3.9Å; M412-P510 WeakPolarHBondContact O-CB 3.25Å; W504-P510 HydrophobicContact CD2-CB 4.19Å; W504-P510 HydrophobicContact CH2-CB 4.13Å; W504-P510 HydrophobicContact CZ2-CB 3.62Å; P510-A512 PolarHBondContact O-N 3.34Å
511E84.7Confident86.5Confident2 Ų241.3 Ų41.31%0.00925%0.25CS..  trans-72.7109.3169.4176.4151.6-151.900110G414 F438 N502 V513 T529G414-E511 WeakPolarHBondContact CA-O 3.46Å; F438-E511 WeakPolarHBondContact CD2-OE1 3.41Å; F438-E511 WeakPolarHBondContact CE2-OE1 3.39Å; N502-E511 HydrophobicContact CB-CB 4Å; N502-E511 HydrophobicContact CB-CG 4.01Å; N502-E511 WeakPolarHBondContact CB-OE2 3.3Å; E511-V513 PolarHBondContact O-N 2.72Å; E511-T529 HydrophobicContact CG-CG2 3.78Å; E511-T529 WeakPolarHBondContact OE1-CB 3.27Å; E511-T529 WeakPolarHBondContact OE1-CG2 3.4Å; E511-T529 PolarHBondContact OE1-OG1 2.81Å
512A90.6Very high86.6Confident46 Ų4643.6 Ų43.638%0.3826%0.259SS..  trans-83.4116.8-170.900000110.7P510 T514 T529 D530P510-A512 PolarHBondContact O-N 3.34Å; A512-T514 PolarHBondContact O-N 2.83Å; A512-T529 CarbonylContact O-C 3.49Å; A512-T529 WeakPolarHBondContact O-CA 3.49Å; A512-D530 PolarHBondContact N-OD1 3.03Å; A512-D530 PolarHBondContact O-N 3.27Å
513V95.4Very high86.8Confident10 Ų1043.6 Ų43.66%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-68.6128.1170.4179.40000109H397 G414 V416 E511 I516 G528H397-V513 PolarHBondContact CD2-O 3.23Å; H397-V513 PolarHBondContact NE2-O 3.49Å; G414-V513 WeakPolarHBondContact O-CG2 3.37Å; V416-V513 HydrophobicContact CG2-CG1 4.48Å; V416-V513 HydrophobicContact CG2-CG2 3.8Å; E511-V513 PolarHBondContact O-N 2.72Å; V513-I516 HydrophobicContact CG1-CD1 4.18Å; V513-I516 HydrophobicContact CG1-CG1 3.79Å; V513-G528 CarbonylContact C-O 3.53Å; V513-G528 WeakPolarHBondContact CA-O 3.19Å
514T94.3Very high87.4Confident74 Ų7443.8 Ų43.845%0.45426%0.261SS..EExtended strand (participates in β ladder)trans-104.3-28.1-175.9560000113.4H397 A512 G528 T529H397-T514 PolarHBondContact CE1-O 2.78Å; H397-T514 PolarHBondContact NE2-O 2.87Å; A512-T514 PolarHBondContact O-N 2.83Å; T514-G528 PolarHBondContact N-O 3.28Å; T514-G528 VanDerWaalsContact OG1-C 3.25Å; T514-G528 PolarHBondContact OG1-O 3.41Å; T514-T529 PolarHBondContact OG1-O 2.91Å
515T95.6Very high88.2Confident73 Ų7343.2 Ų43.245%0.44826%0.259SS..EExtended strand (participates in β ladder)trans-160.2153.5177.4-169.70000111.1Y527 G528T515-Y527 CarbonylContact O-C 3.52Å; T515-Y527 WeakPolarHBondContact O-CA 3.5Å; T515-Y527 WeakPolarHBondContact O-CB 3.37Å; T515-G528 PolarHBondContact O-N 2.99Å
516I97.2Very high89.4Confident16 Ų1640.8 Ų40.88%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-134.6132.7175.4-55.6-179.2000108.9H397 A399 A408 V416 V513 L525H397-I516 HydrophobicContact CB-CD1 3.84Å; H397-I516 HydrophobicContact CB-CG1 4.07Å; A399-I516 HydrophobicContact CB-CB 4.32Å; A399-I516 HydrophobicContact CB-CG2 4.01Å; A408-I516 HydrophobicContact CB-CG2 3.85Å; V416-I516 HydrophobicContact CG1-CD1 4.13Å; V513-I516 HydrophobicContact CG1-CD1 4.18Å; V513-I516 HydrophobicContact CG1-CG1 3.79Å; I516-L525 HydrophobicContact CG2-CD1 3.68Å
517V96Very high90.6Very high71 Ų7138.3 Ų38.343%0.4323%0.226SC..EExtended strand (participates in β ladder)trans-131.8141.2173.5-62.80000110.8A526 L620V517-A526 HydrophobicContact CG2-CB 3.87Å; V517-A526 PolarHBondContact N-O 2.99Å; V517-A526 PolarHBondContact O-N 3.16Å; V517-A526 VanDerWaalsContact O-O 3.05Å; V517-L620 HydrophobicContact CG2-CD1 4.2Å
518L95.3Very high91.9Very high34 Ų3435.4 Ų35.418%0.17821%0.21CC..EExtended strand (participates in β ladder)trans-129.2127.1-175174.374000109.5C401 L418 L525 I538C401-L518 HydrophobicContact CB-CD2 3.6Å; L418-L518 HydrophobicContact CD1-CD1 4.02Å; L518-L525 HydrophobicContact CB-CD1 4.49Å; L518-L525 HydrophobicContact CD1-CB 4.38Å; L518-L525 HydrophobicContact CD1-CD1 4.3Å; L518-I538 HydrophobicContact CD1-CD1 3.35Å
519N95Very high92.9Very high29 Ų2929.2 Ų29.216%0.15518%0.177CC..EExtended strand (participates in β ladder)trans-118.3101.1170.7-170.1-45.9000110A521 Y522 G523 L524 P679N519-A521 PolarHBondContact O-N 3.47Å; N519-A521 PolarHBondContact OD1-N 2.9Å; N519-A521 VanDerWaalsContact OD1-N 3.14Å; N519-Y522 HydrophobicContact CB-CD2 4.27Å; N519-Y522 VanDerWaalsContact CG-CD2 3.45Å; N519-Y522 WeakPolarHBondContact ND2-CD2 3.38Å; N519-Y522 WeakPolarHBondContact ND2-CE2 3.47Å; N519-Y522 PolarHBondContact O-N 3.29Å; N519-Y522 PolarHBondContact OD1-N 3.3Å; N519-G523 PolarHBondContact O-N 3.26Å; N519-L524 PolarHBondContact N-O 3.38Å; N519-L524 PolarHBondContact O-N 3.41Å; N519-P679 PolarHBondContact OD1-O 3.1Å
520S93Very high93.4Very high4 Ų427.8 Ų27.83%0.02817%0.17CC..THydrogen-bonded Turntrans-72.3-24.4-176.3620000114.3C401 S404 V680 K681C401-S520 PolarHBondContact SG-OG 3.42Å; S404-S520 VanDerWaalsContact CB-CB 3.45Å; S404-S520 VanDerWaalsContact OG-CB 3.27Å; S404-S520 WeakPolarHBondContact OG-CB 3.42Å; S520-V680 WeakPolarHBondContact OG-CA 3.46Å; S520-K681 WeakPolarHBondContact O-CB 3.47Å; S520-K681 PolarHBondContact OG-N 2.81Å
521A92.2Very high93.7Very high44 Ų4430.2 Ų30.236%0.36418%0.18SC..THydrogen-bonded Turntrans-71.7-42.8175.400000111.3N519 G523 P679N519-A521 PolarHBondContact O-N 3.47Å; N519-A521 PolarHBondContact OD1-N 2.9Å; N519-A521 VanDerWaalsContact OD1-N 3.14Å; A521-G523 VanDerWaalsContact C-N 3.31Å; A521-P679 VanDerWaalsContact CB-C 3.46Å; A521-P679 HydrophobicContact CB-CB 3.74Å; A521-P679 HydrophobicContact CB-CG 4.09Å; A521-P679 VanDerWaalsContact CB-O 3.3Å; A521-P679 WeakPolarHBondContact CB-O 3.46Å
522Y93.3Very high94Very high64 Ų6430.4 Ų30.425%0.25118%0.182SC..THydrogen-bonded Turntrans-81.5-14.5177.7-58-23.5000113N519 P618 L636 R642 P679N519-Y522 HydrophobicContact CB-CD2 4.27Å; N519-Y522 VanDerWaalsContact CG-CD2 3.45Å; N519-Y522 WeakPolarHBondContact ND2-CD2 3.38Å; N519-Y522 WeakPolarHBondContact ND2-CE2 3.47Å; N519-Y522 PolarHBondContact O-N 3.29Å; N519-Y522 PolarHBondContact OD1-N 3.3Å; Y522-P618 HydrophobicContact CD2-CB 4.22Å; Y522-P618 HydrophobicContact CE1-CG 4.33Å; Y522-P618 HydrophobicContact CE2-CB 3.74Å; Y522-P618 HydrophobicContact CE2-CG 4.33Å; Y522-L636 HydrophobicContact CD1-CD1 3.28Å; Y522-L636 HydrophobicContact CD2-CD1 4.21Å; Y522-L636 HydrophobicContact CE1-CD1 3.81Å; Y522-L636 HydrophobicContact CG-CD1 3.51Å; Y522-R642 PolarHBondContact O-NH2 2.72Å; Y522-P679 HydrophobicContact CE1-CG 3.8Å; Y522-P679 HydrophobicContact CE2-CG 4.09Å
523G94.1Very high94.1Very high4 Ų428.8 Ų28.84%0.04117%0.167CC..THydrogen-bonded Turntrans66.840-176.900000111.5N519 A521 I538N519-G523 PolarHBondContact O-N 3.26Å; A521-G523 VanDerWaalsContact C-N 3.31Å; G523-I538 WeakPolarHBondContact O-CB 3.17Å; G523-I538 PolarHBondContact O-N 3.17Å
524L97.1Very high94.1Very high9 Ų928.3 Ų28.35%0.04716%0.164CC..EExtended strand (participates in β ladder)trans-122137.5-177.1-64.1178.9000111N519 I536 D537 I634 L636 V647N519-L524 PolarHBondContact N-O 3.38Å; N519-L524 PolarHBondContact O-N 3.41Å; L524-I536 WeakPolarHBondContact CA-O 3.36Å; L524-D537 HydrophobicContact CD2-CB 4.43Å; L524-I634 HydrophobicContact CD1-CD1 3.78Å; L524-I634 HydrophobicContact CD1-CG2 3.79Å; L524-L636 HydrophobicContact CD1-CD2 4.2Å; L524-V647 HydrophobicContact CD1-CG1 4.37Å; L524-V647 HydrophobicContact CD2-CG1 4.31Å; L524-V647 HydrophobicContact CD2-CG2 4.29Å
525L97.8Very high94.3Very high0 Ų024.9 Ų24.90%014%0.143CC..EExtended strand (participates in β ladder)trans-116.5128.1169.3171.767.5000107A408 V416 L418 I516 L518 I536 I538A408-L525 HydrophobicContact CB-CD1 3.76Å; V416-L525 HydrophobicContact CG1-CD2 4.16Å; L418-L525 HydrophobicContact CB-CD2 4.35Å; I516-L525 HydrophobicContact CG2-CD1 3.68Å; L518-L525 HydrophobicContact CB-CD1 4.49Å; L518-L525 HydrophobicContact CD1-CB 4.38Å; L518-L525 HydrophobicContact CD1-CD1 4.3Å; L525-I536 HydrophobicContact CB-CB 4.33Å; L525-I536 PolarHBondContact N-O 3.27Å; L525-I536 PolarHBondContact O-N 3.44Å; L525-I538 HydrophobicContact CB-CD1 3.93Å; L525-I538 HydrophobicContact CB-CG1 3.93Å
526A97.8Very high94.4Very high6 Ų621.4 Ų21.45%0.0512%0.121CC..EExtended strand (participates in β ladder)trans-128.4145.1172.800000109.9V517 V534 V535 L620V517-A526 HydrophobicContact CG2-CB 3.87Å; V517-A526 PolarHBondContact N-O 2.99Å; V517-A526 PolarHBondContact O-N 3.16Å; V517-A526 VanDerWaalsContact O-O 3.05Å; A526-V534 VanDerWaalsContact CA-O 3.23Å; A526-V534 WeakPolarHBondContact CA-O 3.4Å; A526-V535 HydrophobicContact CB-CG2 4.13Å; A526-L620 HydrophobicContact CB-CD1 4.28Å; A526-L620 HydrophobicContact CB-CD2 3.97Å
527Y97.7Very high94.3Very high1 Ų120.7 Ų20.70%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-146.3146.817558.4-90.7000110.4V416 V435 C500 N502 T515 T529 V534 I536V416-Y527 HydrophobicContact CB-CD1 4.37Å; V416-Y527 HydrophobicContact CB-CE1 4.2Å; V416-Y527 HydrophobicContact CG1-CD1 4.24Å; V416-Y527 HydrophobicContact CG1-CE1 4.43Å; V416-Y527 HydrophobicContact CG2-CD1 3.98Å; V416-Y527 HydrophobicContact CG2-CD2 3.93Å; V416-Y527 HydrophobicContact CG2-CE1 4Å; V416-Y527 HydrophobicContact CG2-CE2 3.96Å; V416-Y527 HydrophobicContact CG2-CG 3.94Å; V435-Y527 WeakPolarHBondContact CG2-OH 3.5Å; C500-Y527 HydrophobicContact CB-CE1 4.29Å; C500-Y527 WeakPolarHBondContact CB-OH 3.19Å; N502-Y527 WeakPolarHBondContact ND2-CE2 3.32Å; N502-Y527 PolarHBondContact OD1-OH 2.81Å; T515-Y527 CarbonylContact O-C 3.52Å; T515-Y527 WeakPolarHBondContact O-CA 3.5Å; T515-Y527 WeakPolarHBondContact O-CB 3.37Å; Y527-T529 HydrophobicContact CD2-CG2 4.1Å; Y527-T529 HydrophobicContact CE2-CG2 4.1Å; Y527-V534 HydrophobicContact CD1-CB 4.35Å; Y527-V534 HydrophobicContact CD2-CB 4.16Å; Y527-V534 HydrophobicContact CD2-CG2 4.32Å; Y527-V534 HydrophobicContact CE1-CB 3.86Å; Y527-V534 HydrophobicContact CE1-CG1 3.89Å; Y527-V534 HydrophobicContact CE2-CB 3.63Å; Y527-V534 HydrophobicContact CE2-CG1 4.29Å; Y527-V534 HydrophobicContact CE2-CG2 3.59Å; Y527-V534 HydrophobicContact CG-CB 4.49Å; Y527-V534 VanDerWaalsContact CZ-CB 3.48Å; Y527-V534 PolarHBondContact N-O 3.3Å; Y527-V534 PolarHBondContact O-N 3.42Å; Y527-V534 WeakPolarHBondContact OH-CG1 2.97Å; Y527-I536 HydrophobicContact CE1-CG1 4.22Å
528G95Very high94.3Very high8 Ų817.3 Ų17.38%0.08210%0.097CC..EExtended strand (participates in β ladder)trans-94.6146.417200000110V513 T514 T515 G532V513-G528 CarbonylContact C-O 3.53Å; V513-G528 WeakPolarHBondContact CA-O 3.19Å; T514-G528 PolarHBondContact N-O 3.28Å; T514-G528 VanDerWaalsContact OG1-C 3.25Å; T514-G528 PolarHBondContact OG1-O 3.41Å; T515-G528 PolarHBondContact O-N 2.99Å; G528-G532 CarbonylContact C-O 3.53Å; G528-G532 WeakPolarHBondContact CA-O 3.16Å
529T92.6Very high94.2Very high9 Ų918.7 Ų18.76%0.05510%0.104CC..EExtended strand (participates in β ladder)trans-113.2-177.9166.168.90000109.2E511 A512 T514 Y527 Q531 G532E511-T529 HydrophobicContact CG-CG2 3.78Å; E511-T529 WeakPolarHBondContact OE1-CB 3.27Å; E511-T529 WeakPolarHBondContact OE1-CG2 3.4Å; E511-T529 PolarHBondContact OE1-OG1 2.81Å; A512-T529 CarbonylContact O-C 3.49Å; A512-T529 WeakPolarHBondContact O-CA 3.49Å; T514-T529 PolarHBondContact OG1-O 2.91Å; Y527-T529 HydrophobicContact CD2-CG2 4.1Å; Y527-T529 HydrophobicContact CE2-CG2 4.1Å; T529-Q531 PolarHBondContact OG1-N 3.19Å; T529-G532 PolarHBondContact N-O 2.8Å; T529-G532 PolarHBondContact OG1-N 3.14Å; T529-G532 PolarHBondContact OG1-O 3.48Å
530D86.9Confident94.2Very high60 Ų6021 Ų2132%0.32111%0.111SC..SBendtrans-67.7-26.316861.8-43.9000112.3A512A512-D530 PolarHBondContact N-OD1 3.03Å; A512-D530 PolarHBondContact O-N 3.27Å
531Q86.5Confident94.3Very high71 Ų7124 Ų2433%0.33212%0.124SC..SBendtrans-96.9-27.7-177.8-57.3-56.2-3800113.7F438 T529 T549F438-Q531 HydrophobicContact CB-CB 3.86Å; F438-Q531 HydrophobicContact CD1-CB 4.49Å; F438-Q531 HydrophobicContact CD2-CB 3.61Å; F438-Q531 HydrophobicContact CE2-CB 4.32Å; F438-Q531 HydrophobicContact CG-CB 3.71Å; T529-Q531 PolarHBondContact OG1-N 3.19Å; Q531-T549 VanDerWaalsContact O-CB 3.24Å; Q531-T549 WeakPolarHBondContact O-CB 3.3Å; Q531-T549 PolarHBondContact O-N 3.01Å; Q531-T549 PolarHBondContact O-OG1 3.04Å
532G89.5Confident94.4Very high5 Ų524.2 Ų24.25%0.05212%0.122CC..EExtended strand (participates in β ladder)trans-178.7-154.9179.700000116.6F438 G528 T529 M547 T549F438-G532 VanDerWaalsContact CE1-CA 3.5Å; G528-G532 CarbonylContact C-O 3.53Å; G528-G532 WeakPolarHBondContact CA-O 3.16Å; T529-G532 PolarHBondContact N-O 2.8Å; T529-G532 PolarHBondContact OG1-N 3.14Å; T529-G532 PolarHBondContact OG1-O 3.48Å; G532-M547 CarbonylContact C-O 3.59Å; G532-M547 VanDerWaalsContact CA-O 3.25Å; G532-M547 WeakPolarHBondContact CA-O 3.39Å; G532-T549 WeakPolarHBondContact CA-OG1 3.5Å; G532-T549 PolarHBondContact N-OG1 3.38Å
533L93.7Very high94.5Very high12 Ų1223.9 Ų23.96%0.06312%0.123CC..EExtended strand (participates in β ladder)trans-122133.4-176.117871.8000110.1V535 L545 V546 M547 L620 V622 L632L533-V535 HydrophobicContact CD2-CG2 4.45Å; L533-V535 HydrophobicContact CG-CG2 4.42Å; L533-L545 HydrophobicContact CD2-CD2 4.39Å; L533-V546 WeakPolarHBondContact O-CA 3.35Å; L533-M547 HydrophobicContact CB-CE 4.37Å; L533-M547 HydrophobicContact CD2-CE 3.69Å; L533-M547 PolarHBondContact N-O 3.49Å; L533-M547 PolarHBondContact O-N 3.12Å; L533-L620 HydrophobicContact CD1-CD2 4.41Å; L533-L620 HydrophobicContact CD2-CD2 4.01Å; L533-V622 HydrophobicContact CD1-CG2 4.44Å; L533-V622 HydrophobicContact CD2-CG2 3.89Å; L533-L632 HydrophobicContact CD2-CD1 3.6Å
534V95.9Very high94.6Very high0 Ų025.3 Ų25.30%013%0.131CC..EExtended strand (participates in β ladder)trans-119.4135.5173.8-172.60000110V435 F438 A526 Y527 I536 L545 V546V435-V534 HydrophobicContact CG1-CG1 4.42Å; V435-V534 HydrophobicContact CG1-CG2 3.88Å; F438-V534 HydrophobicContact CZ-CG2 3.84Å; A526-V534 VanDerWaalsContact CA-O 3.23Å; A526-V534 WeakPolarHBondContact CA-O 3.4Å; Y527-V534 HydrophobicContact CD1-CB 4.35Å; Y527-V534 HydrophobicContact CD2-CB 4.16Å; Y527-V534 HydrophobicContact CD2-CG2 4.32Å; Y527-V534 HydrophobicContact CE1-CB 3.86Å; Y527-V534 HydrophobicContact CE1-CG1 3.89Å; Y527-V534 HydrophobicContact CE2-CB 3.63Å; Y527-V534 HydrophobicContact CE2-CG1 4.29Å; Y527-V534 HydrophobicContact CE2-CG2 3.59Å; Y527-V534 HydrophobicContact CG-CB 4.49Å; Y527-V534 VanDerWaalsContact CZ-CB 3.48Å; Y527-V534 PolarHBondContact N-O 3.3Å; Y527-V534 PolarHBondContact O-N 3.42Å; Y527-V534 WeakPolarHBondContact OH-CG1 2.97Å; V534-I536 HydrophobicContact CG1-CD1 3.71Å; V534-I536 HydrophobicContact CG1-CG1 4.14Å; V534-L545 CarbonylContact C-O 3.58Å; V534-L545 WeakPolarHBondContact CA-O 2.81Å; V534-V546 HydrophobicContact CG1-CG2 4.29Å; V534-V546 HydrophobicContact CG2-CG2 4.48Å
535V97.1Very high94.4Very high2 Ų226.6 Ų26.61%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-125126.6173.6-173.40000108.8A526 L533 V544 L545 L620A526-V535 HydrophobicContact CB-CG2 4.13Å; L533-V535 HydrophobicContact CD2-CG2 4.45Å; L533-V535 HydrophobicContact CG-CG2 4.42Å; V535-V544 HydrophobicContact CB-CB 4.28Å; V535-V544 HydrophobicContact CG1-CB 4.13Å; V535-V544 HydrophobicContact CG1-CG1 4.47Å; V535-V544 PolarHBondContact O-N 3.27Å; V535-L545 HydrophobicContact CB-CB 4Å; V535-L545 HydrophobicContact CG2-CB 4.04Å; V535-L545 HydrophobicContact CG2-CD2 4.27Å; V535-L545 PolarHBondContact N-O 2.9Å; V535-L545 PolarHBondContact O-N 2.93Å; V535-L620 HydrophobicContact CG2-CD2 3.73Å
536I97.7Very high94.1Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-117.3134-177.5-54.9-60.6000109.4I433 I498 L524 L525 Y527 V534 C542 I543I433-I536 HydrophobicContact CD1-CD1 4.41Å; I433-I536 HydrophobicContact CD1-CG2 3.86Å; I433-I536 HydrophobicContact CG2-CD1 4.35Å; I498-I536 HydrophobicContact CD1-CG2 4.41Å; L524-I536 WeakPolarHBondContact CA-O 3.36Å; L525-I536 HydrophobicContact CB-CB 4.33Å; L525-I536 PolarHBondContact N-O 3.27Å; L525-I536 PolarHBondContact O-N 3.44Å; Y527-I536 HydrophobicContact CE1-CG1 4.22Å; V534-I536 HydrophobicContact CG1-CD1 3.71Å; V534-I536 HydrophobicContact CG1-CG1 4.14Å; I536-C542 WeakPolarHBondContact CA-O 3.32Å; I536-I543 HydrophobicContact CD1-CB 4.33Å; I536-I543 HydrophobicContact CD1-CG1 3.73Å
537D97Very high93.7Very high1 Ų129.3 Ų29.31%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-83.1111.2165.9-170.1-18.9000109.3L524 L539 R540 K541 C542 V544 R642L524-D537 HydrophobicContact CD2-CB 4.43Å; D537-L539 VanDerWaalsContact C-N 3.32Å; D537-L539 PolarHBondContact OD1-N 3.37Å; D537-R540 HydrophobicContact CB-CB 4.26Å; D537-R540 PolarHBondContact OD1-N 3.3Å; D537-R540 WeakPolarHBondContact OD2-CG 3.43Å; D537-K541 WeakPolarHBondContact O-CA 3.48Å; D537-K541 PolarHBondContact O-N 3.17Å; D537-C542 PolarHBondContact N-O 3.43Å; D537-C542 PolarHBondContact O-N 3.29Å; D537-V544 HydrophobicContact CB-CG2 3.63Å; D537-R642 IonicContact OD1-CZ 3.07Å; D537-R642 IonicContact OD1-NH1 3.66Å; D537-R642 PolarHBondContact OD1-NH1 2.82Å; D537-R642 IonicContact OD1-NH2 3.57Å; D537-R642 PolarHBondContact OD1-NH2 3.02Å; D537-R642 IonicContact OD2-CZ 3.79Å; D537-R642 IonicContact OD2-NH1 2.81Å; D537-R642 PolarHBondContact OD2-NH1 2.82Å; D537-R642 IonicContact OD2-NH2 3.91Å; D537-R642 PolarHBondContact OD2-NH2 3.14Å
538I95.3Very high93.1Very high1 Ų132.2 Ų32.21%0.00517%0.167CC..THydrogen-bonded Turntrans-70-33.9-178.3-58.2172.6000110.9Y406 L418 I498 L518 G523 L525Y406-I538 HydrophobicContact CE1-CG2 4.5Å; L418-I538 HydrophobicContact CD2-CB 4.16Å; L418-I538 HydrophobicContact CD2-CD1 3.9Å; L418-I538 HydrophobicContact CD2-CG1 3.8Å; L418-I538 HydrophobicContact CD2-CG2 3.39Å; I498-I538 HydrophobicContact CD1-CB 4.47Å; I498-I538 HydrophobicContact CD1-CG2 4.28Å; L518-I538 HydrophobicContact CD1-CD1 3.35Å; G523-I538 WeakPolarHBondContact O-CB 3.17Å; G523-I538 PolarHBondContact O-N 3.17Å; L525-I538 HydrophobicContact CB-CD1 3.93Å; L525-I538 HydrophobicContact CB-CG1 3.93Å
539L93.2Very high92.5Very high62 Ų6233.8 Ų33.833%0.32518%0.175SC..THydrogen-bonded Turntrans-77.6-40.4-174.6-60.5178.2000111.3D537 R642 L643D537-L539 VanDerWaalsContact C-N 3.32Å; D537-L539 PolarHBondContact OD1-N 3.37Å; L539-R642 HydrophobicContact CD1-CG 3.69Å; L539-L643 HydrophobicContact CB-CD2 4.07Å
540R94.6Very high91.6Very high79 Ų7936.1 Ų36.130%0.29819%0.191SC..THydrogen-bonded Turntrans-89.6-9.6176.2-60.5-170.171.4-166.8-5.1113.4D537 C542 L643 L645D537-R540 HydrophobicContact CB-CB 4.26Å; D537-R540 PolarHBondContact OD1-N 3.3Å; D537-R540 WeakPolarHBondContact OD2-CG 3.43Å; R540-C542 PolarHBondContact O-N 3.43Å; R540-L643 PolarHBondContact NE-O 3.39Å; R540-L645 PolarHBondContact NH1-O 3.13Å; R540-L645 VanDerWaalsContact NH1-O 3.13Å
541K95.2Very high90.9Very high67 Ų6737 Ų3729%0.29120%0.203SC..THydrogen-bonded Turntrans5446.5-178.4-49.5-170.2179.8-175.90113.1T431 I433 I498 D537T431-K541 HydrophobicContact CG2-CB 3.86Å; T431-K541 HydrophobicContact CG2-CD 4.01Å; T431-K541 WeakPolarHBondContact OG1-CD 3.49Å; T431-K541 PolarHBondContact OG1-NZ 2.88Å; T431-K541 VanDerWaalsContact OG1-NZ 3.14Å; I433-K541 WeakPolarHBondContact CD1-O 3.29Å; I498-K541 HydrophobicContact CD1-CB 4.24Å; I498-K541 HydrophobicContact CD1-CG 4.08Å; I498-K541 HydrophobicContact CG1-CD 4.43Å; I498-K541 HydrophobicContact CG1-CG 4.32Å; D537-K541 WeakPolarHBondContact O-CA 3.48Å; D537-K541 PolarHBondContact O-N 3.17Å
542C95Very high90Very high47 Ų4735.1 Ų35.132%0.31819%0.194SC..EExtended strand (participates in β ladder)trans-137161-177.766.80000112.4I536 D537 R540I536-C542 WeakPolarHBondContact CA-O 3.32Å; D537-C542 PolarHBondContact N-O 3.43Å; D537-C542 PolarHBondContact O-N 3.29Å; R540-C542 PolarHBondContact O-N 3.43Å
543I95.6Very high88.8Confident57 Ų5736.8 Ų36.829%0.29220%0.199SC..EExtended strand (participates in β ladder)trans-71.1132.5171.5-61.2-179.8000109I433 V435 I536 V546I433-I543 HydrophobicContact CG2-CD1 3.7Å; I433-I543 HydrophobicContact CG2-CG1 3.42Å; I433-I543 VanDerWaalsContact CG2-CG1 3.42Å; V435-I543 HydrophobicContact CG2-CD1 4.46Å; I536-I543 HydrophobicContact CD1-CB 4.33Å; I536-I543 HydrophobicContact CD1-CG1 3.73Å; I543-V546 HydrophobicContact CD1-CG2 4.32Å; I543-V546 HydrophobicContact CG2-CG2 3.61Å
544V94.3Very high86.9Confident34 Ų3440 Ų4021%0.20622%0.223CC..EExtended strand (participates in β ladder)trans-99.5-42.2172.61770000110.8V535 D537 V647 V649V535-V544 HydrophobicContact CB-CB 4.28Å; V535-V544 HydrophobicContact CG1-CB 4.13Å; V535-V544 HydrophobicContact CG1-CG1 4.47Å; V535-V544 PolarHBondContact O-N 3.27Å; D537-V544 HydrophobicContact CB-CG2 3.63Å; V544-V647 HydrophobicContact CG1-CB 4.22Å; V544-V647 HydrophobicContact CG1-CG1 4.15Å; V544-V647 WeakPolarHBondContact CG1-O 2.99Å; V544-V647 HydrophobicContact CG2-CB 4.2Å; V544-V649 HydrophobicContact CG1-CG2 3.56Å
545L93.1Very high84.5Confident37 Ų3744.8 Ų44.819%0.19426%0.257CS..EExtended strand (participates in β ladder)trans-149134.1-177.7-179.268.9000109.8L533 V534 V535 M547 L632 V649L533-L545 HydrophobicContact CD2-CD2 4.39Å; V534-L545 CarbonylContact C-O 3.58Å; V534-L545 WeakPolarHBondContact CA-O 2.81Å; V535-L545 HydrophobicContact CB-CB 4Å; V535-L545 HydrophobicContact CG2-CB 4.04Å; V535-L545 HydrophobicContact CG2-CD2 4.27Å; V535-L545 PolarHBondContact N-O 2.9Å; V535-L545 PolarHBondContact O-N 2.93Å; L545-M547 HydrophobicContact CD1-CB 4.23Å; L545-M547 HydrophobicContact CD2-CB 4.25Å; L545-M547 HydrophobicContact CD2-CE 4.14Å; L545-M547 HydrophobicContact CG-CB 4.1Å; L545-L632 HydrophobicContact CD2-CD1 3.97Å; L545-V649 HydrophobicContact CD2-CB 4.22Å; L545-V649 HydrophobicContact CD2-CG1 3.78Å
546V92.3Very high81.9Confident45 Ų4550.6 Ų50.627%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-124.5121.8160.1175.90000105.8V435 P436 F438 L533 V534 I543V435-V546 HydrophobicContact CG1-CG2 4.09Å; P436-V546 HydrophobicContact CG-CB 4.42Å; P436-V546 HydrophobicContact CG-CG1 4.31Å; P436-V546 HydrophobicContact CG-CG2 4.12Å; F438-V546 HydrophobicContact CD1-CG1 4Å; F438-V546 HydrophobicContact CE1-CG1 3.5Å; F438-V546 HydrophobicContact CZ-CG1 3.87Å; L533-V546 WeakPolarHBondContact O-CA 3.35Å; V534-V546 HydrophobicContact CG1-CG2 4.29Å; V534-V546 HydrophobicContact CG2-CG2 4.48Å; I543-V546 HydrophobicContact CD1-CG2 4.32Å; I543-V546 HydrophobicContact CG2-CG2 3.61Å
547M88.9Confident79.2Confident17 Ų1754.3 Ų54.38%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-136122.8-174.2-178.7172.955.900109.8F438 G532 L533 L545 L552 L630 L632 T651F438-M547 WeakPolarHBondContact CE1-O 3.4Å; G532-M547 CarbonylContact C-O 3.59Å; G532-M547 VanDerWaalsContact CA-O 3.25Å; G532-M547 WeakPolarHBondContact CA-O 3.39Å; L533-M547 HydrophobicContact CB-CE 4.37Å; L533-M547 HydrophobicContact CD2-CE 3.69Å; L533-M547 PolarHBondContact N-O 3.49Å; L533-M547 PolarHBondContact O-N 3.12Å; L545-M547 HydrophobicContact CD1-CB 4.23Å; L545-M547 HydrophobicContact CD2-CB 4.25Å; L545-M547 HydrophobicContact CD2-CE 4.14Å; L545-M547 HydrophobicContact CG-CB 4.1Å; M547-L552 HydrophobicContact CE-CD2 3.14Å; M547-L552 HydrophobicContact CE-CG 4.17Å; M547-L552 HydrophobicContact CG-CD2 4.29Å; M547-L552 HydrophobicContact SD-CD2 3.64Å; M547-L630 HydrophobicContact CE-CD2 4.19Å; M547-L632 HydrophobicContact CE-CD1 3.78Å; M547-L632 HydrophobicContact CE-CD2 4.33Å; M547-T651 HydrophobicContact SD-CG2 4.46Å
548E86.4Confident76.5Confident63 Ų6359.3 Ų59.329%0.29434%0.337SS..EExtended strand (participates in β ladder)trans-70.4147.5178.3-166.9-174.8142.800111.5F438 G439 S550 S551 L552F438-E548 HydrophobicContact CB-CG 4.24Å; F438-E548 HydrophobicContact CD1-CB 4.19Å; F438-E548 HydrophobicContact CD1-CG 4.49Å; G439-E548 VanDerWaalsContact CA-OE2 3.3Å; G439-E548 WeakPolarHBondContact CA-OE2 3.48Å; G439-E548 PolarHBondContact N-OE2 3.37Å; E548-S550 WeakPolarHBondContact CG-OG 3.35Å; E548-S550 PolarHBondContact O-N 2.98Å; E548-S550 WeakPolarHBondContact OE1-CB 3.48Å; E548-S550 PolarHBondContact OE1-OG 2.92Å; E548-S550 PolarHBondContact OE2-OG 3.28Å; E548-S551 WeakPolarHBondContact O-CB 3.47Å; E548-S551 PolarHBondContact O-N 3.07Å; E548-L552 PolarHBondContact O-N 2.82Å
549T82Confident73.4Confident40 Ų4066.9 Ų66.925%0.24538%0.377CS..Hα-helixtrans-55.1-35.9174.8-640000112Q531 G532 S551 L552 Y553Q531-T549 VanDerWaalsContact O-CB 3.24Å; Q531-T549 WeakPolarHBondContact O-CB 3.3Å; Q531-T549 PolarHBondContact O-N 3.01Å; Q531-T549 PolarHBondContact O-OG1 3.04Å; G532-T549 WeakPolarHBondContact CA-OG1 3.5Å; G532-T549 PolarHBondContact N-OG1 3.38Å; T549-S551 VanDerWaalsContact C-N 3.32Å; T549-S551 PolarHBondContact O-N 2.74Å; T549-L552 VanDerWaalsContact O-CB 3.23Å; T549-L552 WeakPolarHBondContact O-CB 3.45Å; T549-L552 PolarHBondContact O-N 3.23Å; T549-L552 VanDerWaalsContact O-N 3.11Å; T549-Y553 HydrophobicContact CG2-CD2 4.3Å; T549-Y553 HydrophobicContact CG2-CE2 3.62Å; T549-Y553 WeakPolarHBondContact O-CD2 3.24Å; T549-Y553 WeakPolarHBondContact O-CE2 3.47Å
550S74.1Confident70.5Confident58 Ų5869.5 Ų69.541%0.40639%0.39SS..Hα-helixtrans-62.6-36.6176.4630000112.9E548 L552 Y553E548-S550 WeakPolarHBondContact CG-OG 3.35Å; E548-S550 PolarHBondContact O-N 2.98Å; E548-S550 WeakPolarHBondContact OE1-CB 3.48Å; E548-S550 PolarHBondContact OE1-OG 2.92Å; E548-S550 PolarHBondContact OE2-OG 3.28Å; S550-L552 PolarHBondContact O-N 3.34Å; S550-Y553 PolarHBondContact O-N 2.8Å; S550-Y553 VanDerWaalsContact O-O 3.04Å
551S71.7Confident67.3Low80 Ų8075.9 Ų75.956%0.55941%0.414SS*.Hα-helixtrans-69.1-17.6176.6-62.70000112.9E548 T549 Y553E548-S551 WeakPolarHBondContact O-CB 3.47Å; E548-S551 PolarHBondContact O-N 3.07Å; T549-S551 VanDerWaalsContact C-N 3.32Å; T549-S551 PolarHBondContact O-N 2.74Å; S551-Y553 VanDerWaalsContact C-N 3.34Å
552L67.5Low64.1Low30 Ų3077.6 Ų77.616%0.15744%0.435CS..Hα-helixtrans-75.2-23.5174.9-64.5179.2000113.2M547 E548 T549 S550 L630M547-L552 HydrophobicContact CE-CD2 3.14Å; M547-L552 HydrophobicContact CE-CG 4.17Å; M547-L552 HydrophobicContact CG-CD2 4.29Å; M547-L552 HydrophobicContact SD-CD2 3.64Å; E548-L552 PolarHBondContact O-N 2.82Å; T549-L552 VanDerWaalsContact O-CB 3.23Å; T549-L552 WeakPolarHBondContact O-CB 3.45Å; T549-L552 PolarHBondContact O-N 3.23Å; T549-L552 VanDerWaalsContact O-N 3.11Å; S550-L552 PolarHBondContact O-N 3.34Å; L552-L630 HydrophobicContact CD2-CD2 3.31Å
553Y64.2Low60.9Low40 Ų4080.1 Ų80.116%0.15745%0.451CS..SBendtrans-107.5132-177.7-60-76.7000110.3T549 S550 S551 D557 T624 Y626T549-Y553 HydrophobicContact CG2-CD2 4.3Å; T549-Y553 HydrophobicContact CG2-CE2 3.62Å; T549-Y553 WeakPolarHBondContact O-CD2 3.24Å; T549-Y553 WeakPolarHBondContact O-CE2 3.47Å; S550-Y553 PolarHBondContact O-N 2.8Å; S550-Y553 VanDerWaalsContact O-O 3.04Å; S551-Y553 VanDerWaalsContact C-N 3.34Å; Y553-D557 HydrophobicContact CD1-CB 4.32Å; Y553-T624 WeakPolarHBondContact OH-CB 3.41Å; Y553-T624 WeakPolarHBondContact OH-CG2 3.44Å; Y553-T624 PolarHBondContact OH-OG1 2.83Å; Y553-Y626 HydrophobicContact CE1-CD2 4.48Å; Y553-Y626 HydrophobicContact CE2-CD2 4.45Å; Y553-Y626 AromaticContact CZ-CD2 3.8Å; Y553-Y626 WeakPolarHBondContact OH-CD2 3.49Å
554S53.8Low57.5Low81 Ų8186.3 Ų86.357%0.56648%0.476SS*.  trans-68.2147.6164.472.80000109.2D556 D557S554-D556 PolarHBondContact O-N 2.81Å; S554-D557 PolarHBondContact O-N 3.3Å
555S45.2Very low54.4Low100 Ų10089.3 Ų89.370%0.69949%0.494SS*.G310 helixtrans-47-23.3-171.4-40.90000116.2
556D43.1Very low51.1Low123 Ų12395 Ų9566%0.65853%0.525SS*.G310 helixtrans-75.4-17.9-179.6-72.3-12.3000114.6S554S554-D556 PolarHBondContact O-N 2.81Å
557D40.5Very low48Very low78 Ų7897.2 Ų97.242%0.41753%0.534SS..G310 helixtrans-91.6-8.4-175.7-81.6-33.8000114.2Y553 S554 L559Y553-D557 HydrophobicContact CD1-CB 4.32Å; S554-D557 PolarHBondContact O-N 3.3Å; D557-L559 VanDerWaalsContact C-N 3.31Å; D557-L559 PolarHBondContact O-N 3.09Å
558V40Very low45.1Very low106 Ų106100.7 Ų100.764%0.64256%0.56SS**THydrogen-bonded Turntrans-75.2-15.4-175.6-179.60000113.3I560V558-I560 PolarHBondContact O-N 2.98Å
559L30.7Very low42.3Very low160 Ų160107 Ų10784%0.83859%0.587SS**THydrogen-bonded Turntrans-85.411.6-172.2-74.9174000116.3D557D557-L559 VanDerWaalsContact C-N 3.31Å; D557-L559 PolarHBondContact O-N 3.09Å
560I32.9Very low39.7Very low117 Ų117115.5 Ų115.560%0.662%0.616SS**SBendtrans-126.598.1-175.7-53.7-178.5000112.9V558V558-I560 PolarHBondContact O-N 2.98Å
561R26.4Very low37.4Very low214 Ų214119.8 Ų119.881%0.80863%0.629SS**  trans61106.2160.8-68.8-175.2176.4-156.5-0.3116.1
562S27.6Very low35.1Very low103 Ų103125.7 Ų125.772%0.7265%0.645SS**  trans-48.6136.4150.655.60000109.7K564S562-K564 PolarHBondContact O-N 3.12Å
563P28.5Very low33.2Very low100 Ų100131.7 Ų131.765%0.64968%0.677SS**  trans-60.1118175.522.6-28.9000108T565P563-T565 VanDerWaalsContact C-N 3.28Å; P563-T565 PolarHBondContact O-N 3.45Å
564K24.6Very low31.5Very low187 Ų187135.3 Ų135.381%0.81370%0.704SS**  trans-62.9102.2159.9-72.7-172.6177.1-172.40105.3S562 N566S562-K564 PolarHBondContact O-N 3.12Å; K564-N566 PolarHBondContact O-N 3.19Å
565T28.4Very low30.1Very low97 Ų97139.8 Ų139.860%0.59572%0.718SS**  trans-52.2104.7166.639.20000107.5P563 I567P563-T565 VanDerWaalsContact C-N 3.28Å; P563-T565 PolarHBondContact O-N 3.45Å; T565-I567 HydrophobicContact CG2-CD1 3.69Å; T565-I567 HydrophobicContact CG2-CG1 4.12Å; T565-I567 PolarHBondContact O-N 3.36Å
566N24.1Very low29Very low156 Ų156139.4 Ų139.483%0.83472%0.721SS**  trans-75.246.6156.9-88.3-16.1000108.8K564 S568K564-N566 PolarHBondContact O-N 3.19Å; N566-S568 PolarHBondContact O-N 3.02Å; N566-S568 VanDerWaalsContact O-N 3.17Å
567I27.9Very low28.2Very low91 Ų91142.9 Ų142.947%0.46773%0.73SS.*  trans-86.962.7165.5-56.1173.3000105.3T565 E571T565-I567 HydrophobicContact CG2-CD1 3.69Å; T565-I567 HydrophobicContact CG2-CG1 4.12Å; T565-I567 PolarHBondContact O-N 3.36Å; I567-E571 HydrophobicContact CG2-CG 4.46Å
568S27.2Very low27.2Very low91 Ų91146.9 Ų146.964%0.63675%0.751SS**  trans-100.717.6174.372.30000112.5N566N566-S568 PolarHBondContact O-N 3.02Å; N566-S568 VanDerWaalsContact O-N 3.17Å
569F27.3Very low26.6Very low194 Ų194149.6 Ų149.685%0.85176%0.762SS**SBendtrans-125.5-5.4175.6-93.1-82.6000116
570Y27.7Very low26.4Very low220 Ų220147.2 Ų147.286%0.86376%0.755SS**SBendtrans-118.6-3.8172.7-96.1-83000115.6
571E25.7Very low25.8Very low147 Ų147150 Ų15069%0.68777%0.766SS**  trans-104.963.3175.3-76.6-17215600112.7I567I567-E571 HydrophobicContact CG2-CG 4.46Å
572K24.7Very low25.6Very low204 Ų204147.4 Ų147.489%0.88777%0.768SS**SBendtrans-1040.1158.5-107.6-172.6-178.8-177.40114.8
573N27.3Very low25.3Very low156 Ų156152.8 Ų152.883%0.83477%0.773SS**SBendtrans-141.348.6-178.6-75.5-29.3000113.9
574V28.6Very low25.1Very low117 Ų117157.5 Ų157.571%0.70979%0.786SS**SBendtrans-151.1124.8150.3-177.90000107.8
575M23.9Very low25Very low175 Ų175153.5 Ų153.586%0.86279%0.788SS**  trans-69.2141.6-178-67.8-166.2177.700112.3
576A22.4Very low24.9Very low92 Ų92154.1 Ų154.176%0.7680%0.796SS**  trans-62.1140.4171.300000111.9
577F24.9Very low24.9Very low195 Ų195155.4 Ų155.486%0.85580%0.797SS**  trans-134.1120.5162.2-102.6-85.6000109.8
578D21.5Very low24.6Very low162 Ų162160.7 Ų160.787%0.86682%0.817SS**  trans-69135.7169.4-69.5-48.2000110.2
579L26.7Very low24.6Very low164 Ų164161.6 Ų161.686%0.85982%0.823SS**  trans-121.7146.3167.4-85.8167.2000110.2
580P25.3Very low24.4Very low109 Ų109161.3 Ų161.371%0.70882%0.824SS**  trans-94.5146.6-151.835.9-33.9000113.8N582P580-N582 PolarHBondContact O-N 3.29Å
581E20.3Very low24.4Very low176 Ų176156.7 Ų156.782%0.82282%0.819SS**  trans-61.1118.1164.3-65.4-178.3143.200110
582N23.5Very low24.2Very low160 Ų160154.2 Ų154.286%0.85682%0.823SS**  trans-135.5103.7156.7-120.1-14.7000110.6P580P580-N582 PolarHBondContact O-N 3.29Å
583R21.4Very low24.2Very low215 Ų215149.2 Ų149.281%0.81181%0.812SS**  trans-73128165.7-65172.9176.3177.9-0.5107.7
584Q23Very low24Very low200 Ų200149.2 Ų149.294%0.93581%0.811SS**  trans-159129.4140.5-109.9166.128.600110.1
585A23.2Very low23.7Very low102 Ų102149 Ų14984%0.84381%0.81SS**  trans-82.7137.3-179.600000110.1
586S25.8Very low23.8Very low111 Ų111147.9 Ų147.978%0.77681%0.806SS**  trans-147.1113153.869.60000111.1
587E23.7Very low23.9Very low183 Ų183151.5 Ų151.586%0.85580%0.804SS**  trans50.595.4135.4-62-174.9158.900120.4
588K22.8Very low23.9Very low201 Ų201147.2 Ų147.287%0.87480%0.798SS**  25.2101123.6-64.1-176.9177.8-1770117.2
589S26.2Very low24.1Very low110 Ų110146 Ų14677%0.76979%0.792SS**  trans-118.2116.6143.5178.60000108V591S589-V591 PolarHBondContact O-N 3.29Å
590E23.8Very low24Very low188 Ų188141 Ų14188%0.87978%0.779SS**  trans-76.596.5178.7-73.2178.8158.500109.8
591V26.9Very low24Very low123 Ų123146.8 Ų146.875%0.74579%0.787SS**  trans-115.3108.1157-176.40000106.2S589 P593S589-V591 PolarHBondContact O-N 3.29Å; V591-P593 WeakPolarHBondContact O-CD 3.26Å; V591-P593 VanDerWaalsContact O-N 3.13Å
592A22.7Very low24.5Very low95 Ų95141.6 Ų141.679%0.78577%0.768SS**  trans-61.1110.5-173.300000111
593P23.9Very low24.8Very low100 Ų100143.3 Ų143.365%0.64977%0.768SS**  trans-67.9148.9165.529.7-29.8000108.1V591 V595V591-P593 WeakPolarHBondContact O-CD 3.26Å; V591-P593 VanDerWaalsContact O-N 3.13Å; P593-V595 VanDerWaalsContact C-N 3.3Å; P593-V595 PolarHBondContact O-N 3.04Å
594L23.8Very low25.5Very low156 Ų156137.9 Ų137.982%0.81776%0.762SS**  trans-51.497.9169.1-108.8149.3000108.1I596L594-I596 PolarHBondContact O-N 3.25Å
595V22.7Very low26.1Very low112 Ų112134.7 Ų134.768%0.67975%0.751SS**  trans-64.495.1172.2176.80000105.3P593 K597P593-V595 VanDerWaalsContact C-N 3.3Å; P593-V595 PolarHBondContact O-N 3.04Å; V595-K597 PolarHBondContact O-N 3.37Å
596I26.3Very low27.1Very low151 Ų151137.3 Ų137.377%0.77475%0.746SS**  trans-56.6100.5153.8-60.9175.2000103.2L594 S598L594-I596 PolarHBondContact O-N 3.25Å; I596-S598 PolarHBondContact O-N 2.91Å
597K23.3Very low28.1Very low168 Ų168136 Ų13673%0.7373%0.727SS**  trans-51.7111.5177.1-80.7-179.4176.1176.40106.4V595 L599V595-K597 PolarHBondContact O-N 3.37Å; K597-L599 HydrophobicContact CB-CD1 4.5Å; K597-L599 PolarHBondContact O-N 3.42Å
598S25.3Very low29.3Very low105 Ų105129.5 Ų129.573%0.73470%0.698SS**  trans-5297.6161.1169.40000106.6I596 G600I596-S598 PolarHBondContact O-N 2.91Å; S598-G600 VanDerWaalsContact C-N 3.29Å; S598-G600 PolarHBondContact O-N 2.79Å
599L25.6Very low30.6Very low138 Ų138122.9 Ų122.972%0.72368%0.678SS**  trans-72.795.9168.6-110.886.6000105.3K597 R601 P602K597-L599 HydrophobicContact CB-CD1 4.5Å; K597-L599 PolarHBondContact O-N 3.42Å; L599-R601 PolarHBondContact O-N 3.02Å; L599-P602 HydrophobicContact CD2-CG 4.23Å
600G24.7Very low31.7Very low57 Ų57123 Ų12359%0.58867%0.666SS**  trans-49.6135.5168.800000110S598 P602S598-G600 VanDerWaalsContact C-N 3.29Å; S598-G600 PolarHBondContact O-N 2.79Å; G600-P602 WeakPolarHBondContact O-CD 3.4Å; G600-P602 WeakPolarHBondContact O-CG 3.48Å
601R25.1Very low33Very low232 Ų232114.8 Ų114.888%0.87563%0.628SS**  trans-30.6103.8-173.6-72.6-177.5180-173.50.8113.8L599L599-R601 PolarHBondContact O-N 3.02Å
602P31.3Very low34.3Very low67 Ų67112.2 Ų112.244%0.43561%0.609SS.*  trans-90.8142.21612.319.4000108.7L599 G600 C604L599-P602 HydrophobicContact CD2-CG 4.23Å; G600-P602 WeakPolarHBondContact O-CD 3.4Å; G600-P602 WeakPolarHBondContact O-CG 3.48Å; P602-C604 PolarHBondContact O-N 2.98Å
603K29.5Very low36Very low195 Ų195115.4 Ų115.485%0.84861%0.606SS**  trans-55129.9-174.7-65.4173.7177.8176.20111.5N605 Q606K603-N605 PolarHBondContact O-N 3.5Å; K603-Q606 PolarHBondContact O-N 3.05Å
604C36.3Very low37.6Very low101 Ų101114.5 Ų114.568%0.68259%0.591SS**THydrogen-bonded Turntrans-32.6-31.2-175.5-167.80000117.8P602 Q606P602-C604 PolarHBondContact O-N 2.98Å; C604-Q606 PolarHBondContact O-N 3.23Å
605N35.1Very low39.5Very low134 Ų134108.1 Ų108.172%0.71756%0.558SS**THydrogen-bonded Turntrans-76.4-24.8-168.6-65.5-9.8000115K603K603-N605 PolarHBondContact O-N 3.5Å
606Q44.6Very low41.5Very low157 Ų157108.2 Ų108.273%0.73456%0.555SS**THydrogen-bonded Turntrans-80.8-22.4-176.6-75.6-175.8-6.100113.9K603 C604 S609K603-Q606 PolarHBondContact O-N 3.05Å; C604-Q606 PolarHBondContact O-N 3.23Å; Q606-S609 PolarHBondContact O-OG 2.78Å
607Q47.5Very low43.9Very low82 Ų82102.6 Ų102.638%0.38353%0.534SS..THydrogen-bonded Turntrans-85.2-24-178.2-151.6164-11.200112.9S609 H610 I611 T652Q607-S609 PolarHBondContact O-N 2.85Å; Q607-H610 PolarHBondContact O-N 2.83Å; Q607-H610 VanDerWaalsContact O-N 3.09Å; Q607-I611 HydrophobicContact CB-CD1 4.32Å; Q607-I611 HydrophobicContact CG-CD1 4.02Å; Q607-I611 HydrophobicContact CG-CG1 4.45Å; Q607-I611 WeakPolarHBondContact O-CD1 3.13Å; Q607-I611 WeakPolarHBondContact O-CG1 3.06Å; Q607-I611 PolarHBondContact O-N 3.29Å; Q607-T652 PolarHBondContact NE2-O 3.46Å
608L49.1Very low47Very low47 Ų4796 Ų9625%0.24651%0.509CS..Hα-helixtrans-53.7-40176.4-79.6164.6000112.4H610 I611 L612 M755L608-H610 PolarHBondContact O-N 2.87Å; L608-I611 PolarHBondContact O-N 3.49Å; L608-L612 WeakPolarHBondContact O-CB 3.28Å; L608-L612 WeakPolarHBondContact O-CD1 3.44Å; L608-L612 VanDerWaalsContact O-CG 3.22Å; L608-L612 WeakPolarHBondContact O-CG 3.4Å; L608-L612 PolarHBondContact O-N 2.95Å; L608-M755 HydrophobicContact CD2-CB 3.93Å; L608-M755 HydrophobicContact CD2-CG 3.5Å; L608-M755 VanDerWaalsContact CD2-CG 3.5Å
609S49.5Very low50.1Low63 Ų6392.5 Ų92.544%0.44148%0.481SS..Hα-helixtrans-68.3-32.7-179.967.70000113.5Q606 Q607Q606-S609 PolarHBondContact O-OG 2.78Å; Q607-S609 PolarHBondContact O-N 2.85Å
610H48.2Very low53.3Low113 Ų11387.1 Ų87.152%0.52345%0.453SS..Hα-helixtrans-74.8-41.7174.8-81.2-93.8000111.1Q607 L608 K613 F614Q607-H610 PolarHBondContact O-N 2.83Å; Q607-H610 VanDerWaalsContact O-N 3.09Å; L608-H610 PolarHBondContact O-N 2.87Å; H610-K613 WeakPolarHBondContact O-CB 3.36Å; H610-K613 PolarHBondContact O-N 3.22Å; H610-F614 WeakPolarHBondContact O-CD2 3.2Å
611I51.8Low56.6Low15 Ų1586.1 Ų86.18%0.07743%0.431CS..Hα-helixtrans-65.3-43.5179.1-65.4156.4000111.1Q607 L608 K613 F614 I615 F654Q607-I611 HydrophobicContact CB-CD1 4.32Å; Q607-I611 HydrophobicContact CG-CD1 4.02Å; Q607-I611 HydrophobicContact CG-CG1 4.45Å; Q607-I611 WeakPolarHBondContact O-CD1 3.13Å; Q607-I611 WeakPolarHBondContact O-CG1 3.06Å; Q607-I611 PolarHBondContact O-N 3.29Å; L608-I611 PolarHBondContact O-N 3.49Å; I611-K613 PolarHBondContact O-N 3.23Å; I611-K613 VanDerWaalsContact O-N 3.14Å; I611-F614 PolarHBondContact O-N 2.89Å; I611-I615 HydrophobicContact CG2-CD1 3.73Å; I611-I615 HydrophobicContact CG2-CG1 3.95Å; I611-I615 WeakPolarHBondContact O-CG1 3.33Å; I611-I615 PolarHBondContact O-N 2.76Å; I611-F654 HydrophobicContact CD1-CB 4.08Å; I611-F654 HydrophobicContact CD1-CD2 3.67Å; I611-F654 HydrophobicContact CD1-CG 4.34Å; I611-F654 HydrophobicContact CG1-CB 4.26Å; I611-F654 HydrophobicContact CG1-CD2 4.41Å; I611-F654 HydrophobicContact CG2-CD2 4.28Å
612L54.5Low59.8Low68 Ų6876.1 Ų76.136%0.35640%0.396SS..Hα-helixtrans-55.9-29.6175.9-80.6167.6000113.5L608 F614 I615 S753L608-L612 WeakPolarHBondContact O-CB 3.28Å; L608-L612 WeakPolarHBondContact O-CD1 3.44Å; L608-L612 VanDerWaalsContact O-CG 3.22Å; L608-L612 WeakPolarHBondContact O-CG 3.4Å; L608-L612 PolarHBondContact O-N 2.95Å; L612-F614 VanDerWaalsContact C-N 3.35Å; L612-I615 HydrophobicContact CD2-CD1 4.32Å; L612-S753 WeakPolarHBondContact CD2-O 3.45Å
613K57.6Low62.8Low163 Ų16374.3 Ų74.371%0.70939%0.39SS*.Hα-helixtrans-70.1-31.1174.3-69.8176.8179.9-179.70112.6H610 I611H610-K613 WeakPolarHBondContact O-CB 3.36Å; H610-K613 PolarHBondContact O-N 3.22Å; I611-K613 PolarHBondContact O-N 3.23Å; I611-K613 VanDerWaalsContact O-N 3.14Å
614F58.6Low65.7Low80 Ų8065.9 Ų65.935%0.35135%0.354SS..Hα-helixtrans-93.5-23-176.9-66.1-70.9000114.2H610 I611 L612 N616 G617 S633H610-F614 WeakPolarHBondContact O-CD2 3.2Å; I611-F614 PolarHBondContact O-N 2.89Å; L612-F614 VanDerWaalsContact C-N 3.35Å; F614-N616 PolarHBondContact O-N 2.7Å; F614-N616 VanDerWaalsContact O-N 3.11Å; F614-G617 PolarHBondContact O-N 3.23Å; F614-S633 WeakPolarHBondContact CD1-OG 3.5Å
615I62.2Low68.1Low22 Ų2264.6 Ų64.611%0.11334%0.344CS..THydrogen-bonded Turntrans-56.2-31.2-177.6-75.2166.6000112.4I611 L612 G617 L752I611-I615 HydrophobicContact CG2-CD1 3.73Å; I611-I615 HydrophobicContact CG2-CG1 3.95Å; I611-I615 WeakPolarHBondContact O-CG1 3.33Å; I611-I615 PolarHBondContact O-N 2.76Å; L612-I615 HydrophobicContact CD2-CD1 4.32Å; I615-G617 VanDerWaalsContact C-N 3.25Å; I615-G617 PolarHBondContact O-N 2.95Å; I615-L752 HydrophobicContact CD1-CB 4.4Å; I615-L752 VanDerWaalsContact CD1-O 3.23Å; I615-L752 WeakPolarHBondContact CD1-O 3.4Å; I615-L752 HydrophobicContact CG2-CB 4.36Å; I615-L752 HydrophobicContact CG2-CD1 4.39Å
616N65.9Low70.4Confident114 Ų11464.7 Ų64.761%0.6134%0.335SS*.THydrogen-bonded Turntrans-80.2-4178.4-67.2-26.2000113.9F614F614-N616 PolarHBondContact O-N 2.7Å; F614-N616 VanDerWaalsContact O-N 3.11Å
617G77.4Confident72.4Confident33 Ų3357.2 Ų57.234%0.3430%0.3SS..SBendtrans-100.6175.5179.500000113.4F614 I615 M619F614-G617 PolarHBondContact O-N 3.23Å; I615-G617 VanDerWaalsContact C-N 3.25Å; I615-G617 PolarHBondContact O-N 2.95Å; G617-M619 PolarHBondContact O-N 3.47Å
618P88.1Confident74.4Confident31 Ų3153.9 Ų53.920%0.20129%0.286CS..  trans-59.2126.6171.8-21.934.3000111.1Y522 I634 L636Y522-P618 HydrophobicContact CD2-CB 4.22Å; Y522-P618 HydrophobicContact CE1-CG 4.33Å; Y522-P618 HydrophobicContact CE2-CB 3.74Å; Y522-P618 HydrophobicContact CE2-CG 4.33Å; P618-I634 HydrophobicContact CB-CB 4.02Å; P618-I634 HydrophobicContact CB-CG2 4.48Å; P618-I634 PolarHBondContact O-N 3.46Å; P618-L636 HydrophobicContact CB-CD1 3.97Å; P618-L636 HydrophobicContact CB-CG 4.33Å; P618-L636 HydrophobicContact CG-CD1 3.63Å; P618-L636 HydrophobicContact CG-CG 4.1Å
619M89.6Confident76.3Confident31 Ų3151.6 Ų51.615%0.15327%0.274CS..EExtended strand (participates in β ladder)trans-136.7144.1179.9-64.2-171.581.400111.6G617 W621 A631 L632 T652G617-M619 PolarHBondContact O-N 3.47Å; M619-W621 HydrophobicContact SD-CZ2 4.29Å; M619-A631 HydrophobicContact CE-CB 3.45Å; M619-A631 VanDerWaalsContact CE-CB 3.45Å; M619-L632 CarbonylContact C-O 3.55Å; M619-L632 VanDerWaalsContact CA-O 3.23Å; M619-L632 WeakPolarHBondContact CA-O 3.2Å; M619-T652 HydrophobicContact CE-CG2 4.13Å
620L93.4Very high78.2Confident24 Ų2449.5 Ų49.513%0.12626%0.258CS..EExtended strand (participates in β ladder)trans-102.9117167.5177.660.9000109.1V517 A526 L533 V535 V622 L632 I634V517-L620 HydrophobicContact CG2-CD1 4.2Å; A526-L620 HydrophobicContact CB-CD1 4.28Å; A526-L620 HydrophobicContact CB-CD2 3.97Å; L533-L620 HydrophobicContact CD1-CD2 4.41Å; L533-L620 HydrophobicContact CD2-CD2 4.01Å; V535-L620 HydrophobicContact CG2-CD2 3.73Å; L620-V622 HydrophobicContact CD2-CG2 4.42Å; L620-V622 HydrophobicContact CG-CG2 4.05Å; L620-L632 HydrophobicContact CB-CB 4.3Å; L620-L632 HydrophobicContact CD2-CD1 4.31Å; L620-L632 PolarHBondContact N-O 2.78Å; L620-L632 PolarHBondContact O-N 3.29Å; L620-I634 HydrophobicContact CB-CD1 3.98Å; L620-I634 HydrophobicContact CB-CG1 4.38Å
621W93.1Very high80.1Confident36 Ų3644.1 Ų44.114%0.13623%0.233CC..EExtended strand (participates in β ladder)trans-98.5125.5176.9-6974.7000109.6M619 I629 L630 A631 F654 M666 F668 L739 L752M619-W621 HydrophobicContact SD-CZ2 4.29Å; W621-I629 HydrophobicContact CE3-CG2 3.69Å; W621-I629 HydrophobicContact CZ3-CG2 4.19Å; W621-L630 CarbonylContact C-O 3.56Å; W621-L630 WeakPolarHBondContact CA-O 3.37Å; W621-A631 HydrophobicContact CD2-CB 3.86Å; W621-A631 HydrophobicContact CE3-CB 3.93Å; W621-A631 HydrophobicContact CG-CB 4.47Å; W621-A631 HydrophobicContact CH2-CB 4.14Å; W621-A631 HydrophobicContact CZ2-CB 4.07Å; W621-A631 HydrophobicContact CZ3-CB 4.08Å; W621-F654 HydrophobicContact CE3-CE1 4.41Å; W621-F654 AromaticContact CH2-CE1 3.85Å; W621-F654 HydrophobicContact CH2-CE1 3.85Å; W621-F654 HydrophobicContact CH2-CZ 4.2Å; W621-F654 HydrophobicContact CZ3-CD1 4.38Å; W621-F654 AromaticContact CZ3-CE1 3.51Å; W621-F654 HydrophobicContact CZ3-CE1 3.51Å; W621-F654 HydrophobicContact CZ3-CZ 4.09Å; W621-M666 HydrophobicContact CB-CE 3.97Å; W621-M666 HydrophobicContact CB-SD 4.34Å; W621-M666 WeakPolarHBondContact O-CE 3.39Å; W621-F668 HydrophobicContact CB-CZ 4.44Å; W621-F668 AromaticContact CD1-CZ 3.56Å; W621-F668 HydrophobicContact CD2-CE1 4.28Å; W621-F668 AromaticContact CD2-CZ 3.77Å; W621-F668 HydrophobicContact CD2-CZ 3.77Å; W621-F668 AromaticContact CE2-CE1 3.86Å; W621-F668 AromaticContact CE2-CZ 3.71Å; W621-F668 AromaticContact CG-CZ 3.69Å; W621-F668 HydrophobicContact CG-CZ 3.69Å; W621-F668 HydrophobicContact CZ2-CE1 4.12Å; W621-F668 HydrophobicContact CZ2-CZ 4.42Å; W621-F668 AromaticContact NE1-CE1 3.92Å; W621-F668 AromaticContact NE1-CZ 3.56Å; W621-L739 HydrophobicContact CE3-CD2 4.02Å; W621-L739 HydrophobicContact CH2-CD2 4.23Å; W621-L739 HydrophobicContact CZ3-CD2 3.59Å; W621-L752 HydrophobicContact CH2-CD2 3.62Å; W621-L752 HydrophobicContact CZ2-CD2 4.01Å
622V93.2Very high82Confident23 Ų2343.5 Ų43.514%0.13923%0.229CC..EExtended strand (participates in β ladder)trans-118.6115.8-174.2-175.80000108.5L533 L620 I629 L630 L632L533-V622 HydrophobicContact CD1-CG2 4.44Å; L533-V622 HydrophobicContact CD2-CG2 3.89Å; L620-V622 HydrophobicContact CD2-CG2 4.42Å; L620-V622 HydrophobicContact CG-CG2 4.05Å; V622-I629 CarbonylContact O-C 3.59Å; V622-I629 VanDerWaalsContact O-CA 3.3Å; V622-I629 WeakPolarHBondContact O-CA 3.4Å; V622-L630 HydrophobicContact CB-CB 4.31Å; V622-L630 PolarHBondContact N-O 2.77Å; V622-L630 PolarHBondContact O-N 3.29Å; V622-L632 HydrophobicContact CG2-CD1 4.47Å
623G92.9Very high83.7Confident29 Ų2940.5 Ų40.530%0.29921%0.214SC..EExtended strand (participates in β ladder)trans-95.3138.2171.200000110.3
624T90.6Very high85.3Confident17 Ų1733.3 Ų33.310%0.10418%0.183CC..  trans-107.2162.3-177.973.60000112Y553 Y626 G627 S628 I663Y553-T624 WeakPolarHBondContact OH-CB 3.41Å; Y553-T624 WeakPolarHBondContact OH-CG2 3.44Å; Y553-T624 PolarHBondContact OH-OG1 2.83Å; T624-Y626 PolarHBondContact O-N 3.21Å; T624-Y626 PolarHBondContact OG1-N 3.46Å; T624-G627 PolarHBondContact O-N 2.72Å; T624-G627 VanDerWaalsContact O-N 3.07Å; T624-G627 PolarHBondContact OG1-N 2.85Å; T624-S628 VanDerWaalsContact CG2-OG 3.3Å; T624-S628 WeakPolarHBondContact CG2-OG 3.39Å; T624-S628 PolarHBondContact N-O 3.03Å; T624-S628 PolarHBondContact OG1-N 3.28Å; T624-S628 PolarHBondContact OG1-O 3.01Å; T624-S628 PolarHBondContact OG1-OG 3.24Å; T624-I663 PolarHBondContact O-N 2.86Å
625T87.2Confident86.9Confident75 Ų7533.2 Ų33.246%0.4619%0.186SC..THydrogen-bonded Turntrans-64.2-21.7171.553.30000112.6G627 F662T625-G627 VanDerWaalsContact C-N 3.26Å; T625-G627 PolarHBondContact O-N 3.34Å; T625-F662 VanDerWaalsContact CB-CE1 3.5Å; T625-F662 HydrophobicContact CG2-CD1 3.49Å; T625-F662 VanDerWaalsContact CG2-CD1 3.49Å; T625-F662 HydrophobicContact CG2-CE1 3.52Å; T625-F662 HydrophobicContact CG2-CG 4.42Å; T625-F662 HydrophobicContact CG2-CZ 4.47Å; T625-F662 WeakPolarHBondContact O-CD2 3.39Å; T625-F662 WeakPolarHBondContact O-CG 3.33Å
626Y83.2Confident88.3Confident135 Ų13534.3 Ų34.353%0.52919%0.192SC..THydrogen-bonded Turntrans-82.1-1.4174.3-63-84.6000113.5Y553 T624 S628Y553-Y626 HydrophobicContact CE1-CD2 4.48Å; Y553-Y626 HydrophobicContact CE2-CD2 4.45Å; Y553-Y626 AromaticContact CZ-CD2 3.8Å; Y553-Y626 WeakPolarHBondContact OH-CD2 3.49Å; T624-Y626 PolarHBondContact O-N 3.21Å; T624-Y626 PolarHBondContact OG1-N 3.46Å; Y626-S628 VanDerWaalsContact C-N 3.34Å
627G87.3Confident89.6Confident0 Ų030 Ų300%017%0.169CC..SBendtrans80.311.5-18000000114.4T624 T625 N659 G661T624-G627 PolarHBondContact O-N 2.72Å; T624-G627 VanDerWaalsContact O-N 3.07Å; T624-G627 PolarHBondContact OG1-N 2.85Å; T625-G627 VanDerWaalsContact C-N 3.26Å; T625-G627 PolarHBondContact O-N 3.34Å; G627-N659 WeakPolarHBondContact O-CB 3.48Å; G627-N659 PolarHBondContact O-N 3.36Å; G627-N659 PolarHBondContact O-ND2 3.41Å; G627-G661 WeakPolarHBondContact CA-O 3.41Å; G627-G661 PolarHBondContact N-O 3.36Å
628S88.2Confident90.1Very high12 Ų1234.3 Ų34.38%0.08418%0.181CC..  trans-82.9151.617058.10000111T624 Y626 L656T624-S628 VanDerWaalsContact CG2-OG 3.3Å; T624-S628 WeakPolarHBondContact CG2-OG 3.39Å; T624-S628 PolarHBondContact N-O 3.03Å; T624-S628 PolarHBondContact OG1-N 3.28Å; T624-S628 PolarHBondContact OG1-O 3.01Å; T624-S628 PolarHBondContact OG1-OG 3.24Å; Y626-S628 VanDerWaalsContact C-N 3.34Å; S628-L656 WeakPolarHBondContact CA-O 3.44Å
629I90.5Very high89.9Confident0 Ų037.5 Ų37.50%020%0.202CC..EExtended strand (participates in β ladder)trans-123.7126.4171.5-60.4169.5000109W621 V622 C655 L656 N659 I663 M666 V741W621-I629 HydrophobicContact CE3-CG2 3.69Å; W621-I629 HydrophobicContact CZ3-CG2 4.19Å; V622-I629 CarbonylContact O-C 3.59Å; V622-I629 VanDerWaalsContact O-CA 3.3Å; V622-I629 WeakPolarHBondContact O-CA 3.4Å; I629-C655 CarbonylContact O-C 3.57Å; I629-C655 VanDerWaalsContact O-CA 3.32Å; I629-C655 WeakPolarHBondContact O-CA 3.49Å; I629-L656 HydrophobicContact CB-CB 4.22Å; I629-L656 HydrophobicContact CB-CD1 4.49Å; I629-L656 HydrophobicContact CD1-CD1 4.42Å; I629-L656 PolarHBondContact N-O 2.93Å; I629-L656 PolarHBondContact O-N 2.87Å; I629-N659 VanDerWaalsContact CD1-ND2 3.3Å; I629-N659 WeakPolarHBondContact CD1-ND2 3.45Å; I629-I663 HydrophobicContact CD1-CD1 4.27Å; I629-I663 HydrophobicContact CG1-CD1 4.09Å; I629-I663 HydrophobicContact CG1-CG1 4.06Å; I629-M666 HydrophobicContact CD1-SD 3.89Å; I629-M666 HydrophobicContact CG1-SD 4.06Å; I629-M666 HydrophobicContact CG2-SD 3.77Å; I629-V741 HydrophobicContact CD1-CB 4.19Å; I629-V741 HydrophobicContact CD1-CG1 3.61Å; I629-V741 HydrophobicContact CD1-CG2 3.46Å; I629-V741 VanDerWaalsContact CD1-CG2 3.46Å
630L88.1Confident89.8Confident19 Ų1943.5 Ų43.510%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-107.4144.8173.9-17885.5000109.5M547 L552 W621 V622 L632M547-L630 HydrophobicContact CE-CD2 4.19Å; L552-L630 HydrophobicContact CD2-CD2 3.31Å; W621-L630 CarbonylContact C-O 3.56Å; W621-L630 WeakPolarHBondContact CA-O 3.37Å; V622-L630 HydrophobicContact CB-CB 4.31Å; V622-L630 PolarHBondContact N-O 2.77Å; V622-L630 PolarHBondContact O-N 3.29Å; L630-L632 HydrophobicContact CD2-CD1 4.24Å; L630-L632 HydrophobicContact CD2-CD2 3.5Å; L630-L632 VanDerWaalsContact CD2-CD2 3.5Å; L630-L632 HydrophobicContact CD2-CG 3.77Å; L630-L632 HydrophobicContact CG-CD2 4.08Å; L630-L632 HydrophobicContact CG-CG 4.39Å
631A88.9Confident89.6Confident0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-121.5117.9171.200000110.4M619 W621 T652 F654M619-A631 HydrophobicContact CE-CB 3.45Å; M619-A631 VanDerWaalsContact CE-CB 3.45Å; W621-A631 HydrophobicContact CD2-CB 3.86Å; W621-A631 HydrophobicContact CE3-CB 3.93Å; W621-A631 HydrophobicContact CG-CB 4.47Å; W621-A631 HydrophobicContact CH2-CB 4.14Å; W621-A631 HydrophobicContact CZ2-CB 4.07Å; W621-A631 HydrophobicContact CZ3-CB 4.08Å; A631-T652 WeakPolarHBondContact O-CG2 3.37Å; A631-T652 PolarHBondContact O-OG1 3.18Å; A631-F654 HydrophobicContact CB-CD1 3.49Å; A631-F654 VanDerWaalsContact CB-CD1 3.49Å; A631-F654 HydrophobicContact CB-CE1 4.07Å; A631-F654 HydrophobicContact CB-CG 4.36Å
632L90.9Very high89.4Confident1 Ų146.2 Ų46.21%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-98.2131.2176.9-58.1175.7000109.1L533 L545 M547 M619 L620 V622 L630 V649 T651L533-L632 HydrophobicContact CD2-CD1 3.6Å; L545-L632 HydrophobicContact CD2-CD1 3.97Å; M547-L632 HydrophobicContact CE-CD1 3.78Å; M547-L632 HydrophobicContact CE-CD2 4.33Å; M619-L632 CarbonylContact C-O 3.55Å; M619-L632 VanDerWaalsContact CA-O 3.23Å; M619-L632 WeakPolarHBondContact CA-O 3.2Å; L620-L632 HydrophobicContact CB-CB 4.3Å; L620-L632 HydrophobicContact CD2-CD1 4.31Å; L620-L632 PolarHBondContact N-O 2.78Å; L620-L632 PolarHBondContact O-N 3.29Å; V622-L632 HydrophobicContact CG2-CD1 4.47Å; L630-L632 HydrophobicContact CD2-CD1 4.24Å; L630-L632 HydrophobicContact CD2-CD2 3.5Å; L630-L632 VanDerWaalsContact CD2-CD2 3.5Å; L630-L632 HydrophobicContact CD2-CG 3.77Å; L630-L632 HydrophobicContact CG-CD2 4.08Å; L630-L632 HydrophobicContact CG-CG 4.39Å; L632-V649 HydrophobicContact CB-CG1 3.76Å; L632-V649 HydrophobicContact CD1-CG1 4.05Å; L632-V649 HydrophobicContact CG-CG1 4.39Å; L632-T651 HydrophobicContact CD2-CG2 3.92Å
633S90.2Very high89.3Confident5 Ų550.7 Ų50.74%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-82.8130.4174.7177.20000109.1F614 V649 N650F614-S633 WeakPolarHBondContact CD1-OG 3.5Å; S633-V649 CarbonylContact O-C 3.59Å; S633-V649 WeakPolarHBondContact O-CA 3.21Å; S633-N650 PolarHBondContact N-O 2.81Å; S633-N650 PolarHBondContact O-N 3.37Å
634I92.5Very high89.2Confident12 Ų1254 Ų546%0.06228%0.282CS..EExtended strand (participates in β ladder)trans-108.2122.4176.7-52.9175.9000107.6L524 P618 L620 L636 V647 V649L524-I634 HydrophobicContact CD1-CD1 3.78Å; L524-I634 HydrophobicContact CD1-CG2 3.79Å; P618-I634 HydrophobicContact CB-CB 4.02Å; P618-I634 HydrophobicContact CB-CG2 4.48Å; P618-I634 PolarHBondContact O-N 3.46Å; L620-I634 HydrophobicContact CB-CD1 3.98Å; L620-I634 HydrophobicContact CB-CG1 4.38Å; I634-L636 HydrophobicContact CG2-CD2 3.93Å; I634-L636 HydrophobicContact CG2-CG 4.14Å; I634-V647 HydrophobicContact CG2-CG1 3.49Å; I634-V647 VanDerWaalsContact CG2-CG1 3.49Å; I634-V649 HydrophobicContact CG1-CG2 4.4Å
635I92.1Very high89.2Confident79 Ų7956.8 Ų56.841%0.40530%0.296SS..EExtended strand (participates in β ladder)trans-100109.7173.5-56.6172000107.1T648 N650I635-T648 WeakPolarHBondContact CB-OG1 3.47Å; I635-T648 PolarHBondContact N-O 2.98Å; I635-T648 PolarHBondContact O-N 3.15Å; I635-N650 WeakPolarHBondContact CD1-ND2 3.34Å
636L91.9Very high89.5Confident45 Ų4556.9 Ų56.924%0.23630%0.298CS..PPolyproline II helixtrans-91.3132.7176-64.5173000109.5Y522 L524 P618 I634 V647Y522-L636 HydrophobicContact CD1-CD1 3.28Å; Y522-L636 HydrophobicContact CD2-CD1 4.21Å; Y522-L636 HydrophobicContact CE1-CD1 3.81Å; Y522-L636 HydrophobicContact CG-CD1 3.51Å; L524-L636 HydrophobicContact CD1-CD2 4.2Å; P618-L636 HydrophobicContact CB-CD1 3.97Å; P618-L636 HydrophobicContact CB-CG 4.33Å; P618-L636 HydrophobicContact CG-CD1 3.63Å; P618-L636 HydrophobicContact CG-CG 4.1Å; I634-L636 HydrophobicContact CG2-CD2 3.93Å; I634-L636 HydrophobicContact CG2-CG 4.14Å; L636-V647 HydrophobicContact CD2-CG1 3.97Å; L636-V647 HydrophobicContact CD2-CG2 3.8Å
637P91.5Very high90Very high22 Ų2250.9 Ų50.914%0.14328%0.275CS..PPolyproline II helixtrans-62.1160.2167-19.130.3000112.2Q641 L645 P646P637-Q641 HydrophobicContact CB-CB 4.45Å; P637-L645 HydrophobicContact CB-CB 3.74Å; P637-L645 HydrophobicContact CB-CD1 4.3Å; P637-L645 HydrophobicContact CG-CB 3.61Å; P637-P646 WeakPolarHBondContact CG-O 3.43Å
638E88.1Confident90.2Very high125 Ų12553.6 Ų53.658%0.58429%0.291SS*.PPolyproline II helixtrans-55.6148.2172.8-68.8-62.3161.700111.5E640 Q641 R642E638-E640 PolarHBondContact O-N 2.86Å; E638-E640 VanDerWaalsContact O-N 3.12Å; E638-Q641 CarbonylContact O-C 3.56Å; E638-Q641 WeakPolarHBondContact O-CA 3.4Å; E638-Q641 PolarHBondContact O-N 3.11Å; E638-R642 PolarHBondContact O-N 3.23Å
639P84.5Confident90.4Very high98 Ų9854.3 Ų54.364%0.63630%0.295SS*.G310 helixtrans-51.4-38.7-176-27.635000114.3Q641 R642P639-Q641 VanDerWaalsContact C-N 3.29Å; P639-Q641 PolarHBondContact O-N 2.75Å; P639-R642 WeakPolarHBondContact O-CB 3.5Å; P639-R642 PolarHBondContact O-N 2.77Å
640E87.2Confident90.2Very high157 Ų15757.9 Ų57.973%0.73432%0.315SS*.G310 helixtrans-69.7-27.3179.1-60.872.5-155.600112.4E638E638-E640 PolarHBondContact O-N 2.86Å; E638-E640 VanDerWaalsContact O-N 3.12Å
641Q89.8Confident90Very high96 Ų9661.8 Ų61.845%0.44934%0.339SS..G310 helixtrans-102.9-0.7-177.8-63.4178.6-14.900112.6P637 E638 P639 L643 C644 L645P637-Q641 HydrophobicContact CB-CB 4.45Å; E638-Q641 CarbonylContact O-C 3.56Å; E638-Q641 WeakPolarHBondContact O-CA 3.4Å; E638-Q641 PolarHBondContact O-N 3.11Å; P639-Q641 VanDerWaalsContact C-N 3.29Å; P639-Q641 PolarHBondContact O-N 2.75Å; Q641-L643 PolarHBondContact O-N 2.96Å; Q641-L643 VanDerWaalsContact O-N 3.09Å; Q641-C644 PolarHBondContact O-N 3.22Å; Q641-L645 HydrophobicContact CB-CD1 3.91Å; Q641-L645 HydrophobicContact CB-CG 4.17Å; Q641-L645 HydrophobicContact CG-CD1 4.45Å; Q641-L645 PolarHBondContact O-N 3.41Å
642R89.5Confident89.4Confident20 Ų2062.9 Ų62.98%0.07535%0.346CS..THydrogen-bonded Turntrans-59-26.8-172-173.563.2-17176.94.7114.1Y522 D537 L539 E638 P639 V647Y522-R642 PolarHBondContact O-NH2 2.72Å; D537-R642 IonicContact OD1-CZ 3.07Å; D537-R642 IonicContact OD1-NH1 3.66Å; D537-R642 PolarHBondContact OD1-NH1 2.82Å; D537-R642 IonicContact OD1-NH2 3.57Å; D537-R642 PolarHBondContact OD1-NH2 3.02Å; D537-R642 IonicContact OD2-CZ 3.79Å; D537-R642 IonicContact OD2-NH1 2.81Å; D537-R642 PolarHBondContact OD2-NH1 2.82Å; D537-R642 IonicContact OD2-NH2 3.91Å; D537-R642 PolarHBondContact OD2-NH2 3.14Å; L539-R642 HydrophobicContact CD1-CG 3.69Å; E638-R642 PolarHBondContact O-N 3.23Å; P639-R642 WeakPolarHBondContact O-CB 3.5Å; P639-R642 PolarHBondContact O-N 2.77Å; R642-V647 VanDerWaalsContact NH2-CG2 3.33Å
643L89.9Confident88.5Confident118 Ų11865.1 Ų65.162%0.61837%0.369SS*.THydrogen-bonded Turntrans-87.4-23.6175.2-64.6176.1000113.3L539 R540 Q641L539-L643 HydrophobicContact CB-CD2 4.07Å; R540-L643 PolarHBondContact NE-O 3.39Å; Q641-L643 PolarHBondContact O-N 2.96Å; Q641-L643 VanDerWaalsContact O-N 3.09Å
644C90.2Very high87.8Confident97 Ų9765.6 Ų65.666%0.65537%0.371SS*.THydrogen-bonded Turntrans-95.7-31.9-174.6-57.80000112.9Q641Q641-C644 PolarHBondContact O-N 3.22Å
645L92.4Very high87.2Confident77 Ų7767.8 Ų67.840%0.40339%0.386SS..SBendtrans-107.3146.9-177.2-66.3-178.3000111.7R540 P637 Q641R540-L645 PolarHBondContact NH1-O 3.13Å; R540-L645 VanDerWaalsContact NH1-O 3.13Å; P637-L645 HydrophobicContact CB-CB 3.74Å; P637-L645 HydrophobicContact CB-CD1 4.3Å; P637-L645 HydrophobicContact CG-CB 3.61Å; Q641-L645 HydrophobicContact CB-CD1 3.91Å; Q641-L645 HydrophobicContact CB-CG 4.17Å; Q641-L645 HydrophobicContact CG-CD1 4.45Å; Q641-L645 PolarHBondContact O-N 3.41Å
646P92.3Very high86.6Confident77 Ų7765.3 Ų65.350%0.537%0.374SS..  trans-76.5145.2179.830-33.1000111.4P637P637-P646 WeakPolarHBondContact CG-O 3.43Å
647V94.2Very high85.8Confident8 Ų867.1 Ų67.15%0.04839%0.389CS..  trans-70.1135.7160.21790000107.5L524 V544 I634 L636 R642L524-V647 HydrophobicContact CD1-CG1 4.37Å; L524-V647 HydrophobicContact CD2-CG1 4.31Å; L524-V647 HydrophobicContact CD2-CG2 4.29Å; V544-V647 HydrophobicContact CG1-CB 4.22Å; V544-V647 HydrophobicContact CG1-CG1 4.15Å; V544-V647 WeakPolarHBondContact CG1-O 2.99Å; V544-V647 HydrophobicContact CG2-CB 4.2Å; I634-V647 HydrophobicContact CG2-CG1 3.49Å; I634-V647 VanDerWaalsContact CG2-CG1 3.49Å; L636-V647 HydrophobicContact CD2-CG1 3.97Å; L636-V647 HydrophobicContact CD2-CG2 3.8Å; R642-V647 VanDerWaalsContact NH2-CG2 3.33Å
648T91.7Very high84.8Confident57 Ų5772.8 Ų72.835%0.3541%0.411SS..EExtended strand (participates in β ladder)trans-116.9141.9175.3540000109.9I635I635-T648 WeakPolarHBondContact CB-OG1 3.47Å; I635-T648 PolarHBondContact N-O 2.98Å; I635-T648 PolarHBondContact O-N 3.15Å
649V91.3Very high84Confident27 Ų2767 Ų6716%0.16438%0.384CS..EExtended strand (participates in β ladder)trans-119.8119.5179.8-178.60000108.6V544 L545 L632 S633 I634V544-V649 HydrophobicContact CG1-CG2 3.56Å; L545-V649 HydrophobicContact CD2-CB 4.22Å; L545-V649 HydrophobicContact CD2-CG1 3.78Å; L632-V649 HydrophobicContact CB-CG1 3.76Å; L632-V649 HydrophobicContact CD1-CG1 4.05Å; L632-V649 HydrophobicContact CG-CG1 4.39Å; S633-V649 CarbonylContact O-C 3.59Å; S633-V649 WeakPolarHBondContact O-CA 3.21Å; I634-V649 HydrophobicContact CG1-CG2 4.4Å
650N87.7Confident83.8Confident76 Ų7664.2 Ų64.241%0.40637%0.366SS..EExtended strand (participates in β ladder)trans-110.3132.3-178.9-67.8-18.1000110.2S633 I635 T652S633-N650 PolarHBondContact N-O 2.81Å; S633-N650 PolarHBondContact O-N 3.37Å; I635-N650 WeakPolarHBondContact CD1-ND2 3.34Å; N650-T652 PolarHBondContact O-N 2.73Å
651T82.5Confident83.8Confident101 Ų10157.6 Ų57.662%0.6234%0.34SS*.EExtended strand (participates in β ladder)trans-68.1120167.757.20000108.8M547 L632 G653M547-T651 HydrophobicContact SD-CG2 4.46Å; L632-T651 HydrophobicContact CD2-CG2 3.92Å; T651-G653 PolarHBondContact O-N 2.87Å
652T76.6Confident83.8Confident23 Ų2357.6 Ų57.614%0.14134%0.339CS..EExtended strand (participates in β ladder)trans-77.7-8.9178.763.50000112.8Q607 M619 A631 N650 F654Q607-T652 PolarHBondContact NE2-O 3.46Å; M619-T652 HydrophobicContact CE-CG2 4.13Å; A631-T652 WeakPolarHBondContact O-CG2 3.37Å; A631-T652 PolarHBondContact O-OG1 3.18Å; N650-T652 PolarHBondContact O-N 2.73Å; T652-F654 PolarHBondContact O-N 2.95Å; T652-F654 WeakPolarHBondContact OG1-CB 3.34Å; T652-F654 PolarHBondContact OG1-N 2.8Å; T652-F654 VanDerWaalsContact OG1-N 3.14Å
653G72.9Confident84.1Confident48 Ų4857.8 Ų57.850%0.49534%0.341SS..EExtended strand (participates in β ladder)trans68.50.9-167.600000113.4T651 C655T651-G653 PolarHBondContact O-N 2.87Å; G653-C655 PolarHBondContact O-N 3.01Å
654F75.7Confident84.3Confident14 Ų1454.7 Ų54.76%0.06133%0.325CS..EExtended strand (participates in β ladder)trans-73121.4175.5175.9-96.8000110.3I611 W621 A631 T652 L656 M755I611-F654 HydrophobicContact CD1-CB 4.08Å; I611-F654 HydrophobicContact CD1-CD2 3.67Å; I611-F654 HydrophobicContact CD1-CG 4.34Å; I611-F654 HydrophobicContact CG1-CB 4.26Å; I611-F654 HydrophobicContact CG1-CD2 4.41Å; I611-F654 HydrophobicContact CG2-CD2 4.28Å; W621-F654 HydrophobicContact CE3-CE1 4.41Å; W621-F654 AromaticContact CH2-CE1 3.85Å; W621-F654 HydrophobicContact CH2-CE1 3.85Å; W621-F654 HydrophobicContact CH2-CZ 4.2Å; W621-F654 HydrophobicContact CZ3-CD1 4.38Å; W621-F654 AromaticContact CZ3-CE1 3.51Å; W621-F654 HydrophobicContact CZ3-CE1 3.51Å; W621-F654 HydrophobicContact CZ3-CZ 4.09Å; A631-F654 HydrophobicContact CB-CD1 3.49Å; A631-F654 VanDerWaalsContact CB-CD1 3.49Å; A631-F654 HydrophobicContact CB-CE1 4.07Å; A631-F654 HydrophobicContact CB-CG 4.36Å; T652-F654 PolarHBondContact O-N 2.95Å; T652-F654 WeakPolarHBondContact OG1-CB 3.34Å; T652-F654 PolarHBondContact OG1-N 2.8Å; T652-F654 VanDerWaalsContact OG1-N 3.14Å; F654-L656 HydrophobicContact CE1-CD1 4.19Å; F654-L656 HydrophobicContact CE1-CG 3.92Å; F654-L656 HydrophobicContact CE2-CD2 4.32Å; F654-L656 HydrophobicContact CE2-CG 4.24Å; F654-L656 HydrophobicContact CZ-CD1 3.79Å; F654-L656 HydrophobicContact CZ-CD2 3.95Å; F654-L656 HydrophobicContact CZ-CG 3.45Å; F654-L656 VanDerWaalsContact CZ-CG 3.45Å; F654-M755 HydrophobicContact CE2-CE 3.37Å; F654-M755 HydrophobicContact CE2-CG 4.21Å; F654-M755 HydrophobicContact CE2-SD 3.75Å; F654-M755 HydrophobicContact CZ-CE 3.23Å; F654-M755 HydrophobicContact CZ-SD 4.04Å
655C78.9Confident84.6Confident58 Ų5851.1 Ų51.139%0.39230%0.301SS..EExtended strand (participates in β ladder)trans-137.2126.6171.6-177.80000108.5I629 G653 P657I629-C655 CarbonylContact O-C 3.57Å; I629-C655 VanDerWaalsContact O-CA 3.32Å; I629-C655 WeakPolarHBondContact O-CA 3.49Å; G653-C655 PolarHBondContact O-N 3.01Å; C655-P657 WeakPolarHBondContact O-CD 3.48Å
656L80.5Confident84.7Confident28 Ų2849.8 Ų49.815%0.14729%0.293CS..EExtended strand (participates in β ladder)trans-90105.5163.8-70.4170.2000108S628 I629 F654 L739 I750 M755S628-L656 WeakPolarHBondContact CA-O 3.44Å; I629-L656 HydrophobicContact CB-CB 4.22Å; I629-L656 HydrophobicContact CB-CD1 4.49Å; I629-L656 HydrophobicContact CD1-CD1 4.42Å; I629-L656 PolarHBondContact N-O 2.93Å; I629-L656 PolarHBondContact O-N 2.87Å; F654-L656 HydrophobicContact CE1-CD1 4.19Å; F654-L656 HydrophobicContact CE1-CG 3.92Å; F654-L656 HydrophobicContact CE2-CD2 4.32Å; F654-L656 HydrophobicContact CE2-CG 4.24Å; F654-L656 HydrophobicContact CZ-CD1 3.79Å; F654-L656 HydrophobicContact CZ-CD2 3.95Å; F654-L656 HydrophobicContact CZ-CG 3.45Å; F654-L656 VanDerWaalsContact CZ-CG 3.45Å; L656-L739 HydrophobicContact CD1-CD2 4.43Å; L656-I750 HydrophobicContact CD1-CD1 3.72Å; L656-M755 HydrophobicContact CD1-CE 4.18Å; L656-M755 HydrophobicContact CD2-CE 3.96Å; L656-M755 HydrophobicContact CG-CE 4.37Å
657P74.8Confident84.9Confident83 Ų8347 Ų4754%0.53928%0.276SS..  trans-75.1145.3179.429.3-34.5000112C655C655-P657 WeakPolarHBondContact O-CD 3.48Å
658K70.9Confident84.9Confident140 Ų14049 Ų4961%0.60928%0.284SS*.  trans54.663159.3-59.2-179.2-178.7176.70115R748K658-R748 PolarHBondContact O-NH2 2.91Å
659N69.6Low85Confident5 Ų546.3 Ų46.33%0.02727%0.268CS..  trans-68.8147.1151.2-59.2-50.3000108.2G627 I629 G661 I663 R748G627-N659 WeakPolarHBondContact O-CB 3.48Å; G627-N659 PolarHBondContact O-N 3.36Å; G627-N659 PolarHBondContact O-ND2 3.41Å; I629-N659 VanDerWaalsContact CD1-ND2 3.3Å; I629-N659 WeakPolarHBondContact CD1-ND2 3.45Å; N659-G661 VanDerWaalsContact C-N 3.25Å; N659-G661 PolarHBondContact O-N 2.85Å; N659-I663 HydrophobicContact CB-CD1 3.68Å; N659-R748 PolarHBondContact OD1-NH1 2.92Å
660C80.8Confident85Confident38 Ų3845.5 Ų45.526%0.25726%0.262SS..SBendtrans-73.373.2-165.9-60.10000111.9R745 A746C660-R745 HydrophobicContact CB-CB 4.01Å; C660-R745 VanDerWaalsContact O-CA 3.31Å; C660-R745 WeakPolarHBondContact O-CA 3.44Å; C660-R745 WeakPolarHBondContact O-CB 3.09Å; C660-R745 WeakPolarHBondContact O-CG 3.31Å; C660-R745 PolarHBondContact O-N 2.77Å; C660-A746 HydrophobicContact CB-CB 3.82Å
661G86.5Confident85.1Confident18 Ų1847.4 Ų47.419%0.18626%0.264CS..SBendtrans109.1-169.4-179.700000113.6G627 N659G627-G661 WeakPolarHBondContact CA-O 3.41Å; G627-G661 PolarHBondContact N-O 3.36Å; N659-G661 VanDerWaalsContact C-N 3.25Å; N659-G661 PolarHBondContact O-N 2.85Å
662F91.5Very high85.4Confident96 Ų9647.8 Ų47.842%0.42126%0.259SS..  trans-61.9139.6-171.9-65.1-137.6000110.3T625 L664 S743 E744T625-F662 VanDerWaalsContact CB-CE1 3.5Å; T625-F662 HydrophobicContact CG2-CD1 3.49Å; T625-F662 VanDerWaalsContact CG2-CD1 3.49Å; T625-F662 HydrophobicContact CG2-CE1 3.52Å; T625-F662 HydrophobicContact CG2-CG 4.42Å; T625-F662 HydrophobicContact CG2-CZ 4.47Å; T625-F662 WeakPolarHBondContact O-CD2 3.39Å; T625-F662 WeakPolarHBondContact O-CG 3.33Å; F662-L664 PolarHBondContact O-N 2.87Å; F662-S743 CarbonylContact O-C 3.55Å; F662-S743 WeakPolarHBondContact O-CA 3.42Å; F662-S743 WeakPolarHBondContact O-CB 3.43Å; F662-E744 HydrophobicContact CB-CG 3.76Å; F662-E744 HydrophobicContact CD2-CG 4.44Å; F662-E744 VanDerWaalsContact CD2-OE1 3.28Å; F662-E744 WeakPolarHBondContact CD2-OE1 3.28Å; F662-E744 WeakPolarHBondContact CD2-OE2 3.14Å; F662-E744 HydrophobicContact CG-CG 4.36Å; F662-E744 WeakPolarHBondContact CG-OE1 3.42Å; F662-E744 PolarHBondContact N-OE2 2.89Å; F662-E744 PolarHBondContact O-N 2.92Å
663I95Very high86.2Confident25 Ų2547.8 Ų47.813%0.12826%0.26CS..EExtended strand (participates in β ladder)trans-77.7116.7173-54-55.1000109T624 I629 N659 M666 V741T624-I663 PolarHBondContact O-N 2.86Å; I629-I663 HydrophobicContact CD1-CD1 4.27Å; I629-I663 HydrophobicContact CG1-CD1 4.09Å; I629-I663 HydrophobicContact CG1-CG1 4.06Å; N659-I663 HydrophobicContact CB-CD1 3.68Å; I663-M666 HydrophobicContact CG2-CG 3.93Å; I663-M666 HydrophobicContact CG2-SD 4.31Å; I663-V741 HydrophobicContact CD1-CG1 3.86Å
664L94.9Very high87.1Confident52 Ų5247.8 Ų47.827%0.27225%0.249SC..EExtended strand (participates in β ladder)trans-91.8-41.6-178.7-59.1176000111.5F662 C742 E744 F767 A770F662-L664 PolarHBondContact O-N 2.87Å; L664-C742 PolarHBondContact N-O 3.49Å; L664-E744 HydrophobicContact CD2-CG 4.33Å; L664-F767 HydrophobicContact CD1-CB 3.41Å; L664-F767 VanDerWaalsContact CD1-CB 3.41Å; L664-F767 HydrophobicContact CD1-CG 4.48Å; L664-A770 HydrophobicContact CD1-CB 4.09Å
665S95.4Very high87.9Confident22 Ų2248.1 Ų48.115%0.15425%0.251CS..EExtended strand (participates in β ladder)trans-157.7157.117767.70000112.3C742 A770 C771S665-C742 PolarHBondContact N-O 3.42Å; S665-C742 PolarHBondContact O-N 2.81Å; S665-C742 WeakPolarHBondContact OG-CB 3.48Å; S665-A770 VanDerWaalsContact CB-O 3.28Å; S665-A770 WeakPolarHBondContact CB-O 3.26Å; S665-A770 PolarHBondContact OG-O 2.86Å; S665-C771 WeakPolarHBondContact OG-CA 3.33Å
666M95.5Very high88.5Confident49 Ų4946.8 Ų46.824%0.24124%0.24CC..EExtended strand (participates in β ladder)trans-131.4141.9174.6-66.1178.9-68.900108.6W621 I629 I663 L739 V740W621-M666 HydrophobicContact CB-CE 3.97Å; W621-M666 HydrophobicContact CB-SD 4.34Å; W621-M666 WeakPolarHBondContact O-CE 3.39Å; I629-M666 HydrophobicContact CD1-SD 3.89Å; I629-M666 HydrophobicContact CG1-SD 4.06Å; I629-M666 HydrophobicContact CG2-SD 3.77Å; I663-M666 HydrophobicContact CG2-CG 3.93Å; I663-M666 HydrophobicContact CG2-SD 4.31Å; M666-L739 HydrophobicContact CB-CD1 4.15Å; M666-V740 WeakPolarHBondContact CA-O 3.45Å
667S95.8Very high88.9Confident20 Ų2048.1 Ų48.114%0.1425%0.247CC..EExtended strand (participates in β ladder)trans-146.8146.7178.6-62.60000110.7V740 V772S667-V740 PolarHBondContact N-O 2.9Å; S667-V740 PolarHBondContact O-N 2.66Å; S667-V772 WeakPolarHBondContact OG-CB 3.21Å
668F94.6Very high89.5Confident50 Ų5048 Ų4822%0.21925%0.246CC..EExtended strand (participates in β ladder)trans-107.5144.4-175-65.5-89.5000110.4W621 L676 Y738 L739 L752W621-F668 HydrophobicContact CB-CZ 4.44Å; W621-F668 AromaticContact CD1-CZ 3.56Å; W621-F668 HydrophobicContact CD2-CE1 4.28Å; W621-F668 AromaticContact CD2-CZ 3.77Å; W621-F668 HydrophobicContact CD2-CZ 3.77Å; W621-F668 AromaticContact CE2-CE1 3.86Å; W621-F668 AromaticContact CE2-CZ 3.71Å; W621-F668 AromaticContact CG-CZ 3.69Å; W621-F668 HydrophobicContact CG-CZ 3.69Å; W621-F668 HydrophobicContact CZ2-CE1 4.12Å; W621-F668 HydrophobicContact CZ2-CZ 4.42Å; W621-F668 AromaticContact NE1-CE1 3.92Å; W621-F668 AromaticContact NE1-CZ 3.56Å; F668-L676 HydrophobicContact CB-CB 4.01Å; F668-L676 HydrophobicContact CB-CD1 4.26Å; F668-L676 PolarHBondContact O-N 3.3Å; F668-Y738 CarbonylContact C-O 3.59Å; F668-Y738 WeakPolarHBondContact CA-O 3.06Å; F668-L739 HydrophobicContact CD1-CD1 4.19Å; F668-L739 HydrophobicContact CE1-CD1 3.76Å; F668-L739 HydrophobicContact CE2-CD1 4.32Å; F668-L739 HydrophobicContact CZ-CD1 3.82Å; F668-L752 HydrophobicContact CD1-CD1 3.89Å; F668-L752 HydrophobicContact CE1-CD1 4.04Å
669L94.4Very high90.3Very high0 Ų043.7 Ų43.70%023%0.233CC..EExtended strand (participates in β ladder)trans-126.3147.9177-46.4170.8000110.9N674 L675 Q737 Y738 V740 P779 V795L669-N674 CarbonylContact C-O 3.55Å; L669-N674 WeakPolarHBondContact CA-O 3.44Å; L669-L675 HydrophobicContact CD2-CD1 4.24Å; L669-Q737 CarbonylContact O-C 3.56Å; L669-Q737 VanDerWaalsContact O-CA 3.28Å; L669-Q737 WeakPolarHBondContact O-CA 3.34Å; L669-Q737 WeakPolarHBondContact O-CB 3.44Å; L669-Y738 HydrophobicContact CB-CD2 4.26Å; L669-Y738 PolarHBondContact N-O 3.3Å; L669-Y738 PolarHBondContact O-N 3.01Å; L669-V740 HydrophobicContact CD1-CG2 3.62Å; L669-V740 HydrophobicContact CD2-CG2 4.44Å; L669-V740 HydrophobicContact CG-CG2 3.96Å; L669-P779 HydrophobicContact CD2-CB 4.17Å; L669-P779 HydrophobicContact CD2-CG 3.94Å; L669-V795 HydrophobicContact CD1-CG1 3.15Å; L669-V795 HydrophobicContact CD2-CG1 4.27Å; L669-V795 HydrophobicContact CG-CG1 4.33Å
670D90.9Very high91.2Very high10 Ų1045.1 Ų45.15%0.05324%0.241CC..  trans-77.4178.3169.4729.4000111.8Q672 C673 N674 L676 L704 Y738D670-Q672 PolarHBondContact O-N 3.18Å; D670-Q672 VanDerWaalsContact OD1-C 3.24Å; D670-Q672 VanDerWaalsContact OD1-CA 3.28Å; D670-Q672 WeakPolarHBondContact OD1-CA 3.39Å; D670-Q672 WeakPolarHBondContact OD1-CB 3.08Å; D670-Q672 PolarHBondContact OD1-N 2.95Å; D670-C673 WeakPolarHBondContact O-CA 3.49Å; D670-C673 PolarHBondContact O-N 2.74Å; D670-C673 PolarHBondContact OD1-N 3.04Å; D670-N674 PolarHBondContact N-O 3.19Å; D670-N674 PolarHBondContact OD1-N 3.17Å; D670-N674 WeakPolarHBondContact OD2-CB 3.39Å; D670-N674 PolarHBondContact OD2-ND2 3.46Å; D670-L676 HydrophobicContact CB-CD1 4.34Å; D670-L676 HydrophobicContact CB-CD2 4.04Å; D670-L676 HydrophobicContact CB-CG 4.19Å; D670-L704 WeakPolarHBondContact OD2-CD1 3.37Å; D670-Y738 VanDerWaalsContact O-CD2 3.31Å; D670-Y738 WeakPolarHBondContact O-CD2 3.21Å; D670-Y738 WeakPolarHBondContact O-CE2 3.33Å
671Y88.7Confident91.5Very high115 Ų11548.8 Ų48.845%0.45125%0.253SS..THydrogen-bonded Turntrans-62.1-21.9178.173.6-81.8000113.6C673 N735 E736Y671-C673 VanDerWaalsContact C-N 3.28Å; Y671-N735 HydrophobicContact CD1-CB 4.32Å; Y671-E736 WeakPolarHBondContact CA-O 3.31Å; Y671-E736 VanDerWaalsContact CB-O 3.25Å; Y671-E736 WeakPolarHBondContact CB-O 3.01Å; Y671-E736 PolarHBondContact N-O 3.47Å
672Q90.5Very high91.5Very high109 Ų10952.1 Ų52.151%0.50926%0.262SS..THydrogen-bonded Turntrans-883.2174.7-60-175.4-3.900112.4D670 N674D670-Q672 PolarHBondContact O-N 3.18Å; D670-Q672 VanDerWaalsContact OD1-C 3.24Å; D670-Q672 VanDerWaalsContact OD1-CA 3.28Å; D670-Q672 WeakPolarHBondContact OD1-CA 3.39Å; D670-Q672 WeakPolarHBondContact OD1-CB 3.08Å; D670-Q672 PolarHBondContact OD1-N 2.95Å; Q672-N674 VanDerWaalsContact C-N 3.28Å; Q672-N674 WeakPolarHBondContact CB-ND2 3.49Å; Q672-N674 PolarHBondContact O-N 3.44Å; Q672-N674 PolarHBondContact OE1-ND2 2.97Å
673C92.1Very high91.2Very high24 Ų2450.4 Ų50.416%0.16226%0.255CS..  trans61.630.5-174.3-57.30000113.7D670 Y671 P779D670-C673 WeakPolarHBondContact O-CA 3.49Å; D670-C673 PolarHBondContact O-N 2.74Å; D670-C673 PolarHBondContact OD1-N 3.04Å; Y671-C673 VanDerWaalsContact C-N 3.28Å; C673-P779 WeakPolarHBondContact O-CD 3.46Å; C673-P779 WeakPolarHBondContact O-CG 3.27Å
674N92.5Very high90.3Very high48 Ų4858.3 Ų58.326%0.25729%0.288SS..PPolyproline II helixtrans-84150166.7-55.6-55.9000110.2L669 D670 Q672 L676L669-N674 CarbonylContact C-O 3.55Å; L669-N674 WeakPolarHBondContact CA-O 3.44Å; D670-N674 PolarHBondContact N-O 3.19Å; D670-N674 PolarHBondContact OD1-N 3.17Å; D670-N674 WeakPolarHBondContact OD2-CB 3.39Å; D670-N674 PolarHBondContact OD2-ND2 3.46Å; Q672-N674 VanDerWaalsContact C-N 3.28Å; Q672-N674 WeakPolarHBondContact CB-ND2 3.49Å; Q672-N674 PolarHBondContact O-N 3.44Å; Q672-N674 PolarHBondContact OE1-ND2 2.97Å; N674-L676 PolarHBondContact O-N 2.92Å
675L92.7Very high88.7Confident21 Ų2159.4 Ų59.411%0.1129%0.292CS..EExtended strand (participates in β ladder)trans-68.7122.1176.2-174.764.6000111.2L669 L677 V772 T774 P779L669-L675 HydrophobicContact CD2-CD1 4.24Å; L675-L677 HydrophobicContact CD2-CD2 4.01Å; L675-L677 HydrophobicContact CG-CD2 4.21Å; L675-V772 HydrophobicContact CD1-CB 4.42Å; L675-V772 HydrophobicContact CD1-CG1 3.99Å; L675-T774 HydrophobicContact CB-CG2 3.83Å; L675-T774 HydrophobicContact CD2-CG2 3.65Å; L675-T774 HydrophobicContact CG-CG2 4.41Å; L675-P779 HydrophobicContact CB-CB 4.32Å
676L90.8Very high86.4Confident29 Ų2967 Ų6715%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-85122.8170.6-68.8172.3000109.5F668 D670 N674 Q737F668-L676 HydrophobicContact CB-CB 4.01Å; F668-L676 HydrophobicContact CB-CD1 4.26Å; F668-L676 PolarHBondContact O-N 3.3Å; D670-L676 HydrophobicContact CB-CD1 4.34Å; D670-L676 HydrophobicContact CB-CD2 4.04Å; D670-L676 HydrophobicContact CB-CG 4.19Å; N674-L676 PolarHBondContact O-N 2.92Å; L676-Q737 HydrophobicContact CD1-CG 4.23Å
677L88.5Confident83.9Confident56 Ų5668.7 Ų68.729%0.29336%0.36SS..PPolyproline II helixtrans-95.2148174.7-62.4-179.4000110.3L675 A701L675-L677 HydrophobicContact CD2-CD2 4.01Å; L675-L677 HydrophobicContact CG-CD2 4.21Å; L677-A701 HydrophobicContact CB-CB 4.12Å; L677-A701 HydrophobicContact CD1-CB 3.61Å; L677-A701 HydrophobicContact CG-CB 3.8Å
678P87.5Confident81.1Confident82 Ų8274.2 Ų74.253%0.53238%0.383SS..PPolyproline II helixtrans-59.2145173.8-19.930.9000111
679P87.5Confident78Confident49 Ų4981.1 Ų81.132%0.31842%0.416SS..PPolyproline II helixtrans-61.4143.417526.8-33.9000110.3N519 A521 Y522N519-P679 PolarHBondContact OD1-O 3.1Å; A521-P679 VanDerWaalsContact CB-C 3.46Å; A521-P679 HydrophobicContact CB-CB 3.74Å; A521-P679 HydrophobicContact CB-CG 4.09Å; A521-P679 VanDerWaalsContact CB-O 3.3Å; A521-P679 WeakPolarHBondContact CB-O 3.46Å; Y522-P679 HydrophobicContact CE1-CG 3.8Å; Y522-P679 HydrophobicContact CE2-CG 4.09Å
680V88.6Confident75.3Confident34 Ų3485.1 Ų85.121%0.20644%0.443CS..  trans-128.7144.4-178.2-66.60000111.5A403 S520 F682A403-V680 HydrophobicContact CB-CB 3.87Å; A403-V680 HydrophobicContact CB-CG1 4.41Å; A403-V680 HydrophobicContact CB-CG2 3.63Å; S520-V680 WeakPolarHBondContact OG-CA 3.46Å; V680-F682 HydrophobicContact CG2-CE1 4.42Å; V680-F682 HydrophobicContact CG2-CE2 4.37Å; V680-F682 HydrophobicContact CG2-CZ 4.14Å
681K87Confident72.6Confident115 Ų11587.9 Ų87.950%0.547%0.474SS..PPolyproline II helixtrans-85.5120.9167.8-174.2172.1-177.9173.90108.8A403 S404 S520A403-K681 CarbonylContact C-O 3.5Å; S404-K681 WeakPolarHBondContact CA-O 3.49Å; S404-K681 WeakPolarHBondContact CB-O 3.34Å; S404-K681 PolarHBondContact N-O 2.68Å; S520-K681 WeakPolarHBondContact O-CB 3.47Å; S520-K681 PolarHBondContact OG-N 2.81Å
682F87.1Confident70.2Confident88 Ų8885.4 Ų85.439%0.38648%0.477SS..PPolyproline II helixtrans-73.3141.7176.3-68.2-81.5000111.4A403 V680 K684A403-F682 HydrophobicContact CB-CD1 4.05Å; A403-F682 HydrophobicContact CB-CE1 4.17Å; A403-F682 CarbonylContact O-C 3.54Å; V680-F682 HydrophobicContact CG2-CE1 4.42Å; V680-F682 HydrophobicContact CG2-CE2 4.37Å; V680-F682 HydrophobicContact CG2-CZ 4.14Å; F682-K684 PolarHBondContact O-N 2.82Å
683F84.8Confident67.7Low61 Ų6184.6 Ų84.627%0.26849%0.489SS..PPolyproline II helixtrans-61.2120.3172.7-175.4-93.4000109.8A403 R405 F421 E685A403-F683 WeakPolarHBondContact O-CB 3.22Å; A403-F683 PolarHBondContact O-N 2.63Å; R405-F683 HydrophobicContact CB-CD2 4.16Å; R405-F683 HydrophobicContact CG-CB 4.22Å; R405-F683 HydrophobicContact CG-CD2 3.95Å; R405-F683 HydrophobicContact CG-CG 4.17Å; F421-F683 HydrophobicContact CD1-CE2 4.25Å; F421-F683 HydrophobicContact CD1-CZ 4.3Å; F683-E685 HydrophobicContact CE1-CB 4.04Å; F683-E685 HydrophobicContact CE1-CG 4.45Å
684K77.6Confident65.1Low190 Ų19092.5 Ų92.583%0.82652%0.521SS*.  trans-108.8120173.4-68.3-175178.6-175.70108.4F682F682-K684 PolarHBondContact O-N 2.82Å
685E61.3Low62.8Low75 Ų7593.2 Ų93.235%0.3552%0.524SS..  trans-89.2130.7173.6-162.2160-161.900108.7R423 F683 G687R423-E685 WeakPolarHBondContact CD-OE1 3.28Å; R423-E685 IonicContact CZ-OE1 2.73Å; R423-E685 IonicContact CZ-OE2 2.87Å; R423-E685 IonicContact NE-OE1 3.2Å; R423-E685 VanDerWaalsContact NH1-CD 3.32Å; R423-E685 IonicContact NH1-OE1 3.58Å; R423-E685 PolarHBondContact NH1-OE1 3.28Å; R423-E685 IonicContact NH1-OE2 3.46Å; R423-E685 PolarHBondContact NH1-OE2 3.45Å; R423-E685 VanDerWaalsContact NH1-OE2 3.07Å; F683-E685 HydrophobicContact CE1-CB 4.04Å; F683-E685 HydrophobicContact CE1-CG 4.45Å; E685-G687 PolarHBondContact O-N 3.44Å; E685-G687 VanDerWaalsContact O-N 3.1Å
686L45.6Very low60.4Low182 Ų182101.1 Ų101.195%0.95355%0.553SS**THydrogen-bonded Turntrans-65113169.9-87103.3000108.2
687G42.6Very low58.2Low84 Ų84102.4 Ų102.487%0.86656%0.562SS**THydrogen-bonded Turntrans106.83.3168.900000117.6E685E685-G687 PolarHBondContact O-N 3.44Å; E685-G687 VanDerWaalsContact O-N 3.1Å
688H37.2Very low56.1Low137 Ų137101.6 Ų101.663%0.63456%0.557SS**  trans-138.9113.1173.6-157.1-76.4000111.2C690H688-C690 VanDerWaalsContact C-N 3.34Å; H688-C690 PolarHBondContact O-N 2.79Å
689E29.8Very low53.7Low195 Ų195103.8 Ų103.891%0.91156%0.555SS**  trans-65.795.7167.6-67.9-163.6158.900108.1G691E689-G691 PolarHBondContact O-N 2.94Å
690C37.2Very low51.4Low84 Ų84108.5 Ų108.557%0.56857%0.566SS**  trans-69.1115.1177-167.90000108.3H688 A692H688-C690 VanDerWaalsContact C-N 3.34Å; H688-C690 PolarHBondContact O-N 2.79Å; C690-A692 PolarHBondContact O-N 3.07Å
691G35.4Very low49.1Very low68 Ų68107.4 Ų107.470%0.70156%0.561SS**  trans-47.8111-178.800000111.7E689 A693E689-G691 PolarHBondContact O-N 2.94Å; G691-A693 PolarHBondContact O-N 3.34Å
692A38.4Very low46.6Very low63 Ų63103.6 Ų103.652%0.52155%0.546SS..SBendtrans-59.910.2-174.200000115.8C690 R699C690-A692 PolarHBondContact O-N 3.07Å; A692-R699 PolarHBondContact O-NH1 3.37Å; A692-R699 PolarHBondContact O-NH2 2.9Å
693A37.8Very low44Very low91 Ų91104.4 Ų104.475%0.75256%0.559SS**  trans-105.95.3-155.700000118.3G691G691-A693 PolarHBondContact O-N 3.34Å
694K37.9Very low41.3Very low191 Ų191105.3 Ų105.383%0.8357%0.566SS**  trans-126-4-170.2-69.9-169.8176.9-1750120.1R696K694-R696 PolarHBondContact O-N 2.83Å
695N42.6Very low39Very low62 Ų62101.1 Ų101.133%0.33256%0.556SS.*  trans-92.483.2178.1-71.3-19.5000112.2L698 R699N695-L698 HydrophobicContact CB-CB 4.36Å; N695-R699 WeakPolarHBondContact O-CB 3.18Å; N695-R699 PolarHBondContact O-N 3.47Å
696R42.5Very low37.3Very low187 Ų187101.1 Ų101.171%0.70658%0.576SS**Hα-helixtrans-68.4-33.8-173.8-150.4177.6-168.5175.74.1113.4K694 R700K694-R696 PolarHBondContact O-N 2.83Å; R696-R700 WeakPolarHBondContact O-CB 3.38Å; R696-R700 VanDerWaalsContact O-CG 3.25Å; R696-R700 WeakPolarHBondContact O-CG 3.22Å; R696-R700 PolarHBondContact O-N 2.9Å
697V44.6Very low36.4Very low57 Ų5796.9 Ų96.935%0.34556%0.562SS.*Hα-helixtrans-85.3-50.3-176.8-179.80000111.9D304 R699 R700 A701D304-V697 WeakPolarHBondContact OD2-CB 3.47Å; D304-V697 VanDerWaalsContact OD2-CG2 3.28Å; D304-V697 WeakPolarHBondContact OD2-CG2 3.48Å; V697-R699 VanDerWaalsContact C-N 3.27Å; V697-R699 PolarHBondContact O-N 2.8Å; V697-R700 PolarHBondContact O-N 3.45Å; V697-A701 PolarHBondContact O-N 2.94Å; V697-A701 VanDerWaalsContact O-N 3.08Å
698L45.1Very low35.5Very low38 Ų3898.6 Ų98.620%0.19956%0.561CS.*Hα-helixtrans-60.1-34.3178.2-75.2167000112.7P306 N695 N702P306-L698 HydrophobicContact CG-CD1 4.21Å; N695-L698 HydrophobicContact CB-CB 4.36Å; L698-N702 WeakPolarHBondContact O-CB 3.12Å; L698-N702 VanDerWaalsContact O-CG 3.25Å; L698-N702 PolarHBondContact O-N 3.18Å; L698-N702 PolarHBondContact O-ND2 3.3Å
699R36.2Very low34.9Very low128 Ų128100.1 Ų100.148%0.48357%0.568SS.*Hα-helixtrans-76.2-46.7173.6-78.6-160.7178.3151.19.7113.5A692 N695 V697 A701 N702 T703A692-R699 PolarHBondContact O-NH1 3.37Å; A692-R699 PolarHBondContact O-NH2 2.9Å; N695-R699 WeakPolarHBondContact O-CB 3.18Å; N695-R699 PolarHBondContact O-N 3.47Å; V697-R699 VanDerWaalsContact C-N 3.27Å; V697-R699 PolarHBondContact O-N 2.8Å; R699-A701 PolarHBondContact O-N 2.81Å; R699-N702 PolarHBondContact O-N 3.02Å; R699-T703 PolarHBondContact O-N 3.14Å; R699-T703 PolarHBondContact O-OG1 3.11Å
700R41.1Very low34.6Very low148 Ų148100.5 Ų100.556%0.55857%0.567SS**Hα-helixtrans-56.3-37.2179.9-84.1179.3174.6174.9-3.8112R696 V697 T703R696-R700 WeakPolarHBondContact O-CB 3.38Å; R696-R700 VanDerWaalsContact O-CG 3.25Å; R696-R700 WeakPolarHBondContact O-CG 3.22Å; R696-R700 PolarHBondContact O-N 2.9Å; V697-R700 PolarHBondContact O-N 3.45Å; R700-T703 PolarHBondContact O-OG1 3.29Å
701A39.2Very low34Very low12 Ų12104.3 Ų104.310%0.09958%0.576CS.*Hα-helixtrans-71.3-39.1175.100000113.1L677 V697 R699L677-A701 HydrophobicContact CB-CB 4.12Å; L677-A701 HydrophobicContact CD1-CB 3.61Å; L677-A701 HydrophobicContact CG-CB 3.8Å; V697-A701 PolarHBondContact O-N 2.94Å; V697-A701 VanDerWaalsContact O-N 3.08Å; R699-A701 PolarHBondContact O-N 2.81Å
702N34.9Very low33.5Very low35 Ų35107.1 Ų107.119%0.18758%0.582CS.*Hα-helixtrans-80.8-28.7-178-73-5.6000114.1L698 R699 L704 V705L698-N702 WeakPolarHBondContact O-CB 3.12Å; L698-N702 VanDerWaalsContact O-CG 3.25Å; L698-N702 PolarHBondContact O-N 3.18Å; L698-N702 PolarHBondContact O-ND2 3.3Å; R699-N702 PolarHBondContact O-N 3.02Å; N702-L704 PolarHBondContact O-N 3.42Å; N702-L704 VanDerWaalsContact O-N 3.16Å; N702-V705 PolarHBondContact O-N 3.27Å; N702-V705 VanDerWaalsContact O-N 3.1Å
703T32.4Very low33Very low105 Ų105111.7 Ų111.764%0.64460%0.596SS**THydrogen-bonded Turntrans-67-11.4177.938.10000114R699 R700 V705R699-T703 PolarHBondContact O-N 3.14Å; R699-T703 PolarHBondContact O-OG1 3.11Å; R700-T703 PolarHBondContact O-OG1 3.29Å; T703-V705 VanDerWaalsContact C-N 3.33Å
704L28.8Very low32.4Very low80 Ų80115.8 Ų115.842%0.41960%0.599SS.*THydrogen-bonded Turntrans-81.1-13.4173.8-73.4159.9000112.9D670 N702D670-L704 WeakPolarHBondContact OD2-CD1 3.37Å; N702-L704 PolarHBondContact O-N 3.42Å; N702-L704 VanDerWaalsContact O-N 3.16Å
705V29.4Very low31.7Very low101 Ų101116.5 Ų116.561%0.61260%0.603SS**SBendtrans-96.699.8169.2-174.50000107.1N702 T703 S707N702-V705 PolarHBondContact O-N 3.27Å; N702-V705 VanDerWaalsContact O-N 3.1Å; T703-V705 VanDerWaalsContact C-N 3.33Å; V705-S707 PolarHBondContact O-N 2.94Å
706G25.1Very low31Very low76 Ų76119 Ų11978%0.78463%0.625SS**  trans-54101.1-169.500000114.1
707S25.9Very low30Very low93 Ų93117 Ų11765%0.6563%0.629SS**  trans-99.6101.7147.7530000106.8V705 E709V705-S707 PolarHBondContact O-N 2.94Å; S707-E709 PolarHBondContact O-N 2.8Å
708S23.9Very low29.3Very low120 Ų120121.2 Ų121.284%0.83965%0.654SS**  trans-65.273.1163.2-570000109K710S708-K710 PolarHBondContact O-N 2.81Å; S708-K710 VanDerWaalsContact O-N 3.16Å
709E24.5Very low28.4Very low169 Ų169122.6 Ų122.679%0.7968%0.678SS**  trans-72.7103.6161-73.3-168.6158.400106.4S707 E711S707-E709 PolarHBondContact O-N 2.8Å; E709-E711 VanDerWaalsContact C-N 3.29Å; E709-E711 PolarHBondContact O-N 2.88Å
710K23.6Very low28Very low202 Ų202125.6 Ų125.688%0.87870%0.698SS**  trans-61.492.1170.8-71.2176.8176.2175.80108.2S708S708-K710 PolarHBondContact O-N 2.81Å; S708-K710 VanDerWaalsContact O-N 3.16Å
711E25.4Very low27.4Very low165 Ų165124 Ų12477%0.77171%0.709SS**  trans-64.6132.4159.7-77.9-170162.100108.6E709 I713E709-E711 VanDerWaalsContact C-N 3.29Å; E709-E711 PolarHBondContact O-N 2.88Å; E711-I713 PolarHBondContact O-N 3.41Å
712P24Very low27Very low127 Ų127128.3 Ų128.383%0.82575%0.745SS**  trans-75.693.6-177.929.4-31.5000109.7Q714P712-Q714 PolarHBondContact O-N 2.98Å
713I29Very low26.8Very low158 Ų158132.1 Ų132.181%0.8177%0.774SS**PPolyproline II helixtrans-70.2117.7173.2-63.8173000108.8E711E711-I713 PolarHBondContact O-N 3.41Å
714Q25.4Very low26.8Very low177 Ų177133.8 Ų133.883%0.82778%0.784SS**PPolyproline II helixtrans-56.7131.7172.1-72.5172.7-5.100110.5P712 S716P712-Q714 PolarHBondContact O-N 2.98Å; Q714-S716 PolarHBondContact O-N 3.06Å
715K22.5Very low26.8Very low206 Ų206134.5 Ų134.590%0.89680%0.801SS**PPolyproline II helixtrans-63122.3173.1-68.6175175.6179.60109.8
716S26.8Very low26.7Very low114 Ų114140.5 Ų140.580%0.79781%0.813SS**  trans-136.7117.8152.160.10000108.5Q714Q714-S716 PolarHBondContact O-N 3.06Å
717D22.7Very low26.9Very low147 Ų147142.7 Ų142.779%0.78681%0.813SS**  trans-63.5166.2179.7-68.2-52.9000113.5
718T29.9Very low27.1Very low144 Ų144142.5 Ų142.588%0.88382%0.817SS**  trans112.698.3174.961.40000109.9
719G25Very low27.4Very low68 Ų68142 Ų14270%0.70181%0.809SS**  cis98.689.642.500000107.3
720E27.9Very low27.9Very low191 Ų191144 Ų14489%0.89382%0.815SS**  trans163.2131138.1-89.5173.1-177.600112.7
721S30.1Very low28.4Very low115 Ų115140.4 Ų140.480%0.80481%0.806SS**  trans75.468.2152.9-54.50000119S723S721-S723 PolarHBondContact O-N 3.03Å
722A29Very low29.4Very low102 Ų102137.6 Ų137.684%0.84380%0.804SS**  trans-76101.7157.300000110.3
723S32.6Very low30.5Very low115 Ų115136.8 Ų136.880%0.80480%0.797SS**  trans-76.3128.4159.154.20000108.8S721 A725S721-S723 PolarHBondContact O-N 3.03Å; S723-A725 PolarHBondContact O-N 3.16Å
724V31.3Very low31.8Very low140 Ų140133.8 Ų133.885%0.84879%0.786SS**  trans-69.893.9-174.4177.30000109.8
725A29.6Very low33.9Very low95 Ų95129.9 Ų129.979%0.78577%0.771SS**  trans-89.5115.1158.600000108.3S723S723-A725 PolarHBondContact O-N 3.16Å
726R25.9Very low36.8Very low227 Ų227123.1 Ų123.186%0.85774%0.742SS**PPolyproline II helixtrans-53.1145.4173-88.2176.2169.2175.2-3.7110.6A728R726-A728 PolarHBondContact O-N 3.48Å; R726-A728 VanDerWaalsContact O-N 3.17Å
727P29.4Very low39.9Very low121 Ų121120.5 Ų120.579%0.78672%0.718SS**PPolyproline II helixtrans-66117.9-169.728-34.6000110.1T729P727-T729 PolarHBondContact O-N 3.07Å
728A30Very low43.2Very low89 Ų89115.1 Ų115.174%0.73669%0.687SS**PPolyproline II helixtrans-5512416000000107.3R726 K730R726-A728 PolarHBondContact O-N 3.48Å; R726-A728 VanDerWaalsContact O-N 3.17Å; A728-K730 PolarHBondContact O-N 2.83Å
729T31.2Very low46.3Very low110 Ų110108.3 Ų108.368%0.67564%0.644SS**  trans-43.3131.6164.139.40000108.1P727 D731P727-T729 PolarHBondContact O-N 3.07Å; T729-D731 PolarHBondContact O-N 3.32Å
730K35Very low49.7Very low211 Ų211105 Ų10592%0.91761%0.611SS**  trans-6475.6170.1-74.2-179.5176.4179.10108.1A728 S732A728-K730 PolarHBondContact O-N 2.83Å; K730-S732 VanDerWaalsContact C-N 3.29Å; K730-S732 PolarHBondContact O-N 2.7Å
731D34.8Very low53Low127 Ų12796 Ų9668%0.67957%0.569SS**  trans-62.9105156-73.6-22.3000103.9T729 T733T729-D731 PolarHBondContact O-N 3.32Å; D731-T733 PolarHBondContact O-N 2.85Å
732S45.3Very low56.2Low105 Ų10590.5 Ų90.573%0.73453%0.531SS*.  trans-58.987.2163.854.30000106K730 V734K730-S732 VanDerWaalsContact C-N 3.29Å; K730-S732 PolarHBondContact O-N 2.7Å; S732-V734 VanDerWaalsContact C-N 3.29Å; S732-V734 PolarHBondContact O-N 3.04Å
733T47.5Very low59.3Low110 Ų11085.7 Ų85.768%0.67549%0.491SS*.  trans-58.1100.6171.550.80000105.5D731 N735D731-T733 PolarHBondContact O-N 2.85Å; T733-N735 VanDerWaalsContact C-N 3.34Å; T733-N735 PolarHBondContact O-N 2.88Å
734V56Low62.3Low95 Ų9582.3 Ų82.358%0.57646%0.462SS*.  trans-61.2104.9172.1177.40000104.7S732 E736S732-V734 VanDerWaalsContact C-N 3.29Å; S732-V734 PolarHBondContact O-N 3.04Å; V734-E736 PolarHBondContact O-N 3.18Å
735N69.1Low65.3Low95 Ų9582.1 Ų82.151%0.50845%0.446SS..  trans-62.7110.1177.9-78.1-17.1000107.2Y671 T733Y671-N735 HydrophobicContact CD1-CB 4.32Å; T733-N735 VanDerWaalsContact C-N 3.34Å; T733-N735 PolarHBondContact O-N 2.88Å
736E84.1Confident68.4Low65 Ų6577.6 Ų77.630%0.30441%0.409SS..  trans-59.6138.5179.4-174.7166.8-165.200110.1Y671 V734 Y738 S751 S753Y671-E736 WeakPolarHBondContact CA-O 3.31Å; Y671-E736 VanDerWaalsContact CB-O 3.25Å; Y671-E736 WeakPolarHBondContact CB-O 3.01Å; Y671-E736 PolarHBondContact N-O 3.47Å; V734-E736 PolarHBondContact O-N 3.18Å; E736-Y738 HydrophobicContact CG-CE1 3.95Å; E736-S751 WeakPolarHBondContact OE1-CB 3.22Å; E736-S751 PolarHBondContact OE1-OG 3Å; E736-S753 PolarHBondContact OE1-OG 3.35Å
737Q90.9Very high71.8Confident59 Ų5966.8 Ų66.828%0.27637%0.368SS..  trans-125.9153.5177.5-67.2179.917.100109.3L669 L676 L752L669-Q737 CarbonylContact O-C 3.56Å; L669-Q737 VanDerWaalsContact O-CA 3.28Å; L669-Q737 WeakPolarHBondContact O-CA 3.34Å; L669-Q737 WeakPolarHBondContact O-CB 3.44Å; L676-Q737 HydrophobicContact CD1-CG 4.23Å; Q737-L752 HydrophobicContact CB-CB 4.49Å; Q737-L752 HydrophobicContact CB-CD1 3.87Å; Q737-L752 WeakPolarHBondContact O-CB 3.43Å; Q737-L752 PolarHBondContact O-N 3.37Å
738Y93.4Very high74.9Confident34 Ų3462.8 Ų62.813%0.13334%0.337CS..EExtended strand (participates in β ladder)trans-121.6143.1-179.1-47.5-77.7000111.2F668 L669 D670 E736 I750 L758F668-Y738 CarbonylContact C-O 3.59Å; F668-Y738 WeakPolarHBondContact CA-O 3.06Å; L669-Y738 HydrophobicContact CB-CD2 4.26Å; L669-Y738 PolarHBondContact N-O 3.3Å; L669-Y738 PolarHBondContact O-N 3.01Å; D670-Y738 VanDerWaalsContact O-CD2 3.31Å; D670-Y738 WeakPolarHBondContact O-CD2 3.21Å; D670-Y738 WeakPolarHBondContact O-CE2 3.33Å; E736-Y738 HydrophobicContact CG-CE1 3.95Å; Y738-I750 CarbonylContact C-O 3.45Å; Y738-I750 VanDerWaalsContact CA-O 3.27Å; Y738-I750 WeakPolarHBondContact CA-O 3.35Å; Y738-L758 HydrophobicContact CD1-CD1 3.5Å; Y738-L758 VanDerWaalsContact CD1-CD1 3.5Å; Y738-L758 HydrophobicContact CE1-CD1 3.44Å; Y738-L758 VanDerWaalsContact CE1-CD1 3.44Å
739L94.4Very high78.1Confident0 Ų058.6 Ų58.60%030%0.302CS..EExtended strand (participates in β ladder)trans-106.4121172.517364.9000109W621 L656 M666 F668 V741 V749 I750 L752W621-L739 HydrophobicContact CE3-CD2 4.02Å; W621-L739 HydrophobicContact CH2-CD2 4.23Å; W621-L739 HydrophobicContact CZ3-CD2 3.59Å; L656-L739 HydrophobicContact CD1-CD2 4.43Å; M666-L739 HydrophobicContact CB-CD1 4.15Å; F668-L739 HydrophobicContact CD1-CD1 4.19Å; F668-L739 HydrophobicContact CE1-CD1 3.76Å; F668-L739 HydrophobicContact CE2-CD1 4.32Å; F668-L739 HydrophobicContact CZ-CD1 3.82Å; L739-V741 HydrophobicContact CD1-CG2 4.43Å; L739-V741 HydrophobicContact CD2-CG2 3.88Å; L739-V741 HydrophobicContact CG-CG2 3.78Å; L739-V749 CarbonylContact O-C 3.59Å; L739-V749 WeakPolarHBondContact O-CA 3.27Å; L739-I750 HydrophobicContact CB-CB 4.46Å; L739-I750 PolarHBondContact N-O 3.42Å; L739-I750 PolarHBondContact O-N 2.97Å; L739-L752 HydrophobicContact CB-CD2 3.96Å; L739-L752 HydrophobicContact CB-CG 4.27Å
740V96.5Very high81Confident0 Ų053.4 Ų53.40%027%0.27CS..EExtended strand (participates in β ladder)trans-95.2121.6169.2-173.10000108.3M666 S667 L669 T747 R748 V749 V772 V781 V795M666-V740 WeakPolarHBondContact CA-O 3.45Å; S667-V740 PolarHBondContact N-O 2.9Å; S667-V740 PolarHBondContact O-N 2.66Å; L669-V740 HydrophobicContact CD1-CG2 3.62Å; L669-V740 HydrophobicContact CD2-CG2 4.44Å; L669-V740 HydrophobicContact CG-CG2 3.96Å; V740-T747 HydrophobicContact CG1-CG2 4.19Å; V740-R748 CarbonylContact C-O 3.46Å; V740-R748 WeakPolarHBondContact CA-O 3.23Å; V740-V749 HydrophobicContact CG2-CG2 4.25Å; V740-V772 HydrophobicContact CB-CG2 4.01Å; V740-V772 HydrophobicContact CG1-CG2 3.79Å; V740-V781 HydrophobicContact CG1-CG2 3.92Å; V740-V795 HydrophobicContact CG2-CG1 4.29Å
741V96.6Very high83.7Confident1 Ų143.3 Ų43.31%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-112.3116178.2179.50000108.4I629 I663 L739 T747 R748 I750I629-V741 HydrophobicContact CD1-CB 4.19Å; I629-V741 HydrophobicContact CD1-CG1 3.61Å; I629-V741 HydrophobicContact CD1-CG2 3.46Å; I629-V741 VanDerWaalsContact CD1-CG2 3.46Å; I663-V741 HydrophobicContact CD1-CG1 3.86Å; L739-V741 HydrophobicContact CD1-CG2 4.43Å; L739-V741 HydrophobicContact CD2-CG2 3.88Å; L739-V741 HydrophobicContact CG-CG2 3.78Å; V741-T747 CarbonylContact O-C 3.48Å; V741-T747 VanDerWaalsContact O-CA 3.25Å; V741-T747 WeakPolarHBondContact O-CA 3.29Å; V741-R748 PolarHBondContact N-O 2.66Å; V741-R748 PolarHBondContact O-N 2.9Å; V741-I750 HydrophobicContact CG2-CD1 4.24Å
742C96.7Very high86.2Confident0 Ų037.5 Ų37.50%020%0.196CC..EExtended strand (participates in β ladder)trans-98.3112.1170.2-54.60000108.4L664 S665 A770L664-C742 PolarHBondContact N-O 3.49Å; S665-C742 PolarHBondContact N-O 3.42Å; S665-C742 PolarHBondContact O-N 2.81Å; S665-C742 WeakPolarHBondContact OG-CB 3.48Å; C742-A770 HydrophobicContact CB-CB 3.87Å
743S96Very high88.1Confident1 Ų134.2 Ų34.21%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-113.3163.7172.167.70000110.6F662 R745 A746F662-S743 CarbonylContact O-C 3.55Å; F662-S743 WeakPolarHBondContact O-CA 3.42Å; F662-S743 WeakPolarHBondContact O-CB 3.43Å; S743-R745 VanDerWaalsContact C-N 3.28Å; S743-R745 PolarHBondContact O-N 3.02Å; S743-R745 VanDerWaalsContact O-N 3.16Å; S743-A746 CarbonylContact C-O 3.56Å; S743-A746 WeakPolarHBondContact CA-O 3.49Å; S743-A746 WeakPolarHBondContact CB-O 3.48Å; S743-A746 PolarHBondContact N-O 2.98Å; S743-A746 PolarHBondContact O-N 3.24Å; S743-A746 VanDerWaalsContact O-O 3.1Å; S743-A746 PolarHBondContact OG-N 2.87Å; S743-A746 PolarHBondContact OG-O 3.13Å
744E94.1Very high89.9Confident43 Ų4332.7 Ų32.720%0.20116%0.163CC..THydrogen-bonded Turntrans-47.4-46.9-178.9-76.3178.8155.700113.5F662 L664 P766 F767F662-E744 HydrophobicContact CB-CG 3.76Å; F662-E744 HydrophobicContact CD2-CG 4.44Å; F662-E744 VanDerWaalsContact CD2-OE1 3.28Å; F662-E744 WeakPolarHBondContact CD2-OE1 3.28Å; F662-E744 WeakPolarHBondContact CD2-OE2 3.14Å; F662-E744 HydrophobicContact CG-CG 4.36Å; F662-E744 WeakPolarHBondContact CG-OE1 3.42Å; F662-E744 PolarHBondContact N-OE2 2.89Å; F662-E744 PolarHBondContact O-N 2.92Å; L664-E744 HydrophobicContact CD2-CG 4.33Å; E744-P766 HydrophobicContact CB-CB 4.18Å; E744-P766 CarbonylContact O-C 3.57Å; E744-P766 VanDerWaalsContact O-CA 3.26Å; E744-P766 WeakPolarHBondContact O-CA 3.28Å; E744-F767 PolarHBondContact O-N 3.17Å
745R94.8Very high91.2Very high137 Ų13729.6 Ų29.652%0.51714%0.143SC..THydrogen-bonded Turntrans-114.37.4-175.8-46.6-176.3167.4130.1-0.7114.5C660 S743 K762 Y763C660-R745 HydrophobicContact CB-CB 4.01Å; C660-R745 VanDerWaalsContact O-CA 3.31Å; C660-R745 WeakPolarHBondContact O-CA 3.44Å; C660-R745 WeakPolarHBondContact O-CB 3.09Å; C660-R745 WeakPolarHBondContact O-CG 3.31Å; C660-R745 PolarHBondContact O-N 2.77Å; S743-R745 VanDerWaalsContact C-N 3.28Å; S743-R745 PolarHBondContact O-N 3.02Å; S743-R745 VanDerWaalsContact O-N 3.16Å; R745-K762 WeakPolarHBondContact O-CA 3.42Å; R745-Y763 PolarHBondContact O-N 3.21Å
746A95.2Very high92.1Very high0 Ų027.2 Ų27.20%014%0.136CC..EExtended strand (participates in β ladder)trans-157.6149.4173.900000113.3C660 S743 L761 K762C660-A746 HydrophobicContact CB-CB 3.82Å; S743-A746 CarbonylContact C-O 3.56Å; S743-A746 WeakPolarHBondContact CA-O 3.49Å; S743-A746 WeakPolarHBondContact CB-O 3.48Å; S743-A746 PolarHBondContact N-O 2.98Å; S743-A746 PolarHBondContact O-N 3.24Å; S743-A746 VanDerWaalsContact O-O 3.1Å; S743-A746 PolarHBondContact OG-N 2.87Å; S743-A746 PolarHBondContact OG-O 3.13Å; A746-L761 CarbonylContact C-O 3.52Å; A746-L761 WeakPolarHBondContact CA-O 3.42Å; A746-L761 WeakPolarHBondContact CB-O 3.49Å; A746-K762 HydrophobicContact CB-CG 4.24Å
747T96.7Very high92.5Very high0 Ų027.3 Ų27.30%014%0.141CC..EExtended strand (participates in β ladder)trans-114.6130.9164.9-620000109.3V740 V741 L761 Y763 V781 L798V740-T747 HydrophobicContact CG1-CG2 4.19Å; V741-T747 CarbonylContact O-C 3.48Å; V741-T747 VanDerWaalsContact O-CA 3.25Å; V741-T747 WeakPolarHBondContact O-CA 3.29Å; T747-L761 PolarHBondContact N-O 3.24Å; T747-L761 PolarHBondContact O-N 2.98Å; T747-Y763 VanDerWaalsContact CB-OH 3.23Å; T747-Y763 WeakPolarHBondContact CB-OH 3.47Å; T747-Y763 WeakPolarHBondContact OG1-CE2 3.38Å; T747-Y763 PolarHBondContact OG1-OH 3.48Å; T747-V781 HydrophobicContact CG2-CG1 4.31Å; T747-V781 HydrophobicContact CG2-CG2 4.05Å; T747-L798 HydrophobicContact CG2-CD1 4.16Å; T747-L798 HydrophobicContact CG2-CD2 3.73Å; T747-L798 VanDerWaalsContact O-CD1 3.24Å; T747-L798 WeakPolarHBondContact O-CD1 3.02Å
748R95.3Very high92.6Very high37 Ų3728 Ų2814%0.1415%0.146CC..EExtended strand (participates in β ladder)trans-123.9143.7-179.9-65.9-178.4-173169.83.6111K658 N659 V740 V741 I750 T757 F759 N760K658-R748 PolarHBondContact O-NH2 2.91Å; N659-R748 PolarHBondContact OD1-NH1 2.92Å; V740-R748 CarbonylContact C-O 3.46Å; V740-R748 WeakPolarHBondContact CA-O 3.23Å; V741-R748 PolarHBondContact N-O 2.66Å; V741-R748 PolarHBondContact O-N 2.9Å; R748-I750 HydrophobicContact CB-CG1 4.31Å; R748-T757 HydrophobicContact CB-CG2 4.22Å; R748-T757 HydrophobicContact CG-CG2 4.24Å; R748-F759 CarbonylContact C-O 3.58Å; R748-F759 VanDerWaalsContact CA-O 3.3Å; R748-F759 WeakPolarHBondContact CA-O 3.49Å; R748-N760 HydrophobicContact CG-CB 4.27Å; R748-N760 WeakPolarHBondContact CG-OD1 3.46Å; R748-N760 PolarHBondContact NE-OD1 3.4Å
749V96.1Very high92.7Very high0 Ų030 Ų300%016%0.156CC..EExtended strand (participates in β ladder)trans-114121.1167.6-175.70000107.8L739 V740 T757 L758 F759 P796 L798L739-V749 CarbonylContact O-C 3.59Å; L739-V749 WeakPolarHBondContact O-CA 3.27Å; V740-V749 HydrophobicContact CG2-CG2 4.25Å; V749-T757 CarbonylContact O-C 3.58Å; V749-L758 PolarHBondContact O-N 3.45Å; V749-F759 HydrophobicContact CB-CB 4.15Å; V749-F759 HydrophobicContact CB-CD2 4.2Å; V749-F759 HydrophobicContact CG2-CB 4.29Å; V749-F759 PolarHBondContact N-O 3.29Å; V749-F759 PolarHBondContact O-N 2.94Å; V749-P796 HydrophobicContact CG1-CB 4.03Å; V749-P796 WeakPolarHBondContact CG2-O 3.26Å; V749-L798 HydrophobicContact CG2-CD1 4.24Å; V749-L798 HydrophobicContact CG2-CD2 4Å; V749-L798 HydrophobicContact CG2-CG 4.07Å
750I93Very high92.7Very high1 Ų133.8 Ų33.81%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-119.8130.2-171.8-57.7174.9000108.5L656 Y738 L739 V741 R748 M755 A756L656-I750 HydrophobicContact CD1-CD1 3.72Å; Y738-I750 CarbonylContact C-O 3.45Å; Y738-I750 VanDerWaalsContact CA-O 3.27Å; Y738-I750 WeakPolarHBondContact CA-O 3.35Å; L739-I750 HydrophobicContact CB-CB 4.46Å; L739-I750 PolarHBondContact N-O 3.42Å; L739-I750 PolarHBondContact O-N 2.97Å; V741-I750 HydrophobicContact CG2-CD1 4.24Å; R748-I750 HydrophobicContact CB-CG1 4.31Å; I750-M755 HydrophobicContact CG2-CE 3.87Å; I750-A756 WeakPolarHBondContact CA-O 3.41Å
751S91.5Very high92.6Very high0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-72.6124.3169.2163.10000109E736 S753 T754 M755 A756E736-S751 WeakPolarHBondContact OE1-CB 3.22Å; E736-S751 PolarHBondContact OE1-OG 3Å; S751-S753 VanDerWaalsContact C-N 3.3Å; S751-S753 PolarHBondContact OG-OG 3.29Å; S751-T754 VanDerWaalsContact CB-OG1 3.23Å; S751-T754 WeakPolarHBondContact CB-OG1 3.33Å; S751-T754 PolarHBondContact OG-N 2.82Å; S751-T754 PolarHBondContact OG-OG1 3.31Å; S751-M755 WeakPolarHBondContact O-CA 3.08Å; S751-M755 PolarHBondContact O-N 3.45Å; S751-A756 PolarHBondContact N-O 2.97Å
752L87.2Confident92.5Very high5 Ų542.7 Ų42.73%0.02622%0.217CC..THydrogen-bonded Turntrans-73-24.4179-72.3177.1000112.5I615 W621 F668 Q737 L739 M755I615-L752 HydrophobicContact CD1-CB 4.4Å; I615-L752 VanDerWaalsContact CD1-O 3.23Å; I615-L752 WeakPolarHBondContact CD1-O 3.4Å; I615-L752 HydrophobicContact CG2-CB 4.36Å; I615-L752 HydrophobicContact CG2-CD1 4.39Å; W621-L752 HydrophobicContact CH2-CD2 3.62Å; W621-L752 HydrophobicContact CZ2-CD2 4.01Å; F668-L752 HydrophobicContact CD1-CD1 3.89Å; F668-L752 HydrophobicContact CE1-CD1 4.04Å; Q737-L752 HydrophobicContact CB-CB 4.49Å; Q737-L752 HydrophobicContact CB-CD1 3.87Å; Q737-L752 WeakPolarHBondContact O-CB 3.43Å; Q737-L752 PolarHBondContact O-N 3.37Å; L739-L752 HydrophobicContact CB-CD2 3.96Å; L739-L752 HydrophobicContact CB-CG 4.27Å; L752-M755 HydrophobicContact CD2-SD 4.41Å
753S85.3Confident92.3Very high35 Ų3543.8 Ų43.825%0.24522%0.221CC..THydrogen-bonded Turntrans-74.5-39.2179.460.90000112.1L612 E736 S751L612-S753 WeakPolarHBondContact CD2-O 3.45Å; E736-S753 PolarHBondContact OE1-OG 3.35Å; S751-S753 VanDerWaalsContact C-N 3.3Å; S751-S753 PolarHBondContact OG-OG 3.29Å
754T84.2Confident92Very high78 Ų7851.3 Ų51.348%0.47926%0.261SS..THydrogen-bonded Turntrans-104.2-12-177.260.30000113.4S751 A756S751-T754 VanDerWaalsContact CB-OG1 3.23Å; S751-T754 WeakPolarHBondContact CB-OG1 3.33Å; S751-T754 PolarHBondContact OG-N 2.82Å; S751-T754 PolarHBondContact OG-OG1 3.31Å; T754-A756 PolarHBondContact O-N 3.22Å; T754-A756 WeakPolarHBondContact OG1-CB 3.44Å; T754-A756 PolarHBondContact OG1-N 3.18Å
755M84.4Confident91.8Very high31 Ų3154.8 Ų54.815%0.15328%0.276CS..  trans54.114.3-166.1-59.3-55.3-39.800114.4L608 F654 L656 I750 S751 L752L608-M755 HydrophobicContact CD2-CB 3.93Å; L608-M755 HydrophobicContact CD2-CG 3.5Å; L608-M755 VanDerWaalsContact CD2-CG 3.5Å; F654-M755 HydrophobicContact CE2-CE 3.37Å; F654-M755 HydrophobicContact CE2-CG 4.21Å; F654-M755 HydrophobicContact CE2-SD 3.75Å; F654-M755 HydrophobicContact CZ-CE 3.23Å; F654-M755 HydrophobicContact CZ-SD 4.04Å; L656-M755 HydrophobicContact CD1-CE 4.18Å; L656-M755 HydrophobicContact CD2-CE 3.96Å; L656-M755 HydrophobicContact CG-CE 4.37Å; I750-M755 HydrophobicContact CG2-CE 3.87Å; S751-M755 WeakPolarHBondContact O-CA 3.08Å; S751-M755 PolarHBondContact O-N 3.45Å; L752-M755 HydrophobicContact CD2-SD 4.41Å
756A88.3Confident91.7Very high45 Ų4550.6 Ų50.637%0.37227%0.266SS..  trans-77.2134.3178.900000110.4I750 S751 T754 L758I750-A756 WeakPolarHBondContact CA-O 3.41Å; S751-A756 PolarHBondContact N-O 2.97Å; T754-A756 PolarHBondContact O-N 3.22Å; T754-A756 WeakPolarHBondContact OG1-CB 3.44Å; T754-A756 PolarHBondContact OG1-N 3.18Å; A756-L758 PolarHBondContact O-N 3.48Å
757T91.6Very high91.8Very high66 Ų6650.7 Ų50.741%0.40527%0.267SS..EExtended strand (participates in β ladder)trans-72.4109.3167.5-58.70000108.6R748 V749 F759 N760R748-T757 HydrophobicContact CB-CG2 4.22Å; R748-T757 HydrophobicContact CG-CG2 4.24Å; V749-T757 CarbonylContact O-C 3.58Å; T757-F759 WeakPolarHBondContact CG2-O 3.4Å; T757-N760 HydrophobicContact CG2-CB 3.9Å
758L93.1Very high91.7Very high74 Ų7452.2 Ų52.239%0.38728%0.276SS..EExtended strand (participates in β ladder)trans-77.9-41.8179.5-58.3-179.5000111.6Y738 V749 A756Y738-L758 HydrophobicContact CD1-CD1 3.5Å; Y738-L758 VanDerWaalsContact CD1-CD1 3.5Å; Y738-L758 HydrophobicContact CE1-CD1 3.44Å; Y738-L758 VanDerWaalsContact CE1-CD1 3.44Å; V749-L758 PolarHBondContact O-N 3.45Å; A756-L758 PolarHBondContact O-N 3.48Å
759F95.5Very high91.6Very high77 Ų7752.5 Ų52.534%0.33828%0.279SS..EExtended strand (participates in β ladder)trans-136.3140.6179.2-59.4-84.2000109.9R748 V749 T757 P796 L798R748-F759 CarbonylContact C-O 3.58Å; R748-F759 VanDerWaalsContact CA-O 3.3Å; R748-F759 WeakPolarHBondContact CA-O 3.49Å; V749-F759 HydrophobicContact CB-CB 4.15Å; V749-F759 HydrophobicContact CB-CD2 4.2Å; V749-F759 HydrophobicContact CG2-CB 4.29Å; V749-F759 PolarHBondContact N-O 3.29Å; V749-F759 PolarHBondContact O-N 2.94Å; T757-F759 WeakPolarHBondContact CG2-O 3.4Å; F759-P796 HydrophobicContact CD2-CB 4.07Å; F759-P796 WeakPolarHBondContact CD2-O 3.45Å; F759-P796 HydrophobicContact CE2-CB 3.92Å; F759-P796 HydrophobicContact CE2-CG 4.07Å; F759-P796 WeakPolarHBondContact CG-O 3.45Å; F759-L798 HydrophobicContact CB-CD1 3.85Å; F759-L798 HydrophobicContact CB-CG 4.02Å
760N94.4Very high91.7Very high79 Ų7952.5 Ų52.542%0.42228%0.279SS..EExtended strand (participates in β ladder)trans-144.5110.5-178.8-176.917000109R748 T757R748-N760 HydrophobicContact CG-CB 4.27Å; R748-N760 WeakPolarHBondContact CG-OD1 3.46Å; R748-N760 PolarHBondContact NE-OD1 3.4Å; T757-N760 HydrophobicContact CG2-CB 3.9Å
761L95.2Very high91.8Very high47 Ų4753.9 Ų53.925%0.24629%0.289CS..EExtended strand (participates in β ladder)trans-109.5123.1176.3-178.861.6000108.8A746 T747 Y763 Y793 L798A746-L761 CarbonylContact C-O 3.52Å; A746-L761 WeakPolarHBondContact CA-O 3.42Å; A746-L761 WeakPolarHBondContact CB-O 3.49Å; T747-L761 PolarHBondContact N-O 3.24Å; T747-L761 PolarHBondContact O-N 2.98Å; L761-Y763 HydrophobicContact CD2-CE1 3.53Å; L761-Y763 HydrophobicContact CG-CD1 4.33Å; L761-Y763 HydrophobicContact CG-CE1 3.64Å; L761-Y793 HydrophobicContact CD2-CD1 3.34Å; L761-Y793 HydrophobicContact CD2-CD2 4.47Å; L761-Y793 HydrophobicContact CD2-CE1 3.26Å; L761-Y793 HydrophobicContact CD2-CE2 4.41Å; L761-Y793 HydrophobicContact CD2-CG 3.99Å; L761-L798 HydrophobicContact CB-CB 4.15Å; L761-L798 HydrophobicContact CB-CD1 3.8Å; L761-L798 HydrophobicContact CD2-CB 4.33Å
762K94.4Very high92Very high140 Ų14054.4 Ų54.461%0.60929%0.291SS*.EExtended strand (participates in β ladder)trans-103.7147.9176.7-66-178179.3178.40110.2R745 A746R745-K762 WeakPolarHBondContact O-CA 3.42Å; A746-K762 HydrophobicContact CB-CG 4.24Å
763Y92.6Very high92.4Very high23 Ų2354.3 Ų54.39%0.0929%0.291CS..  trans-116.6146.7-177.2-49.8-60.8000111.5R745 T747 L761 F765 F767 F785 Y793R745-Y763 PolarHBondContact O-N 3.21Å; T747-Y763 VanDerWaalsContact CB-OH 3.23Å; T747-Y763 WeakPolarHBondContact CB-OH 3.47Å; T747-Y763 WeakPolarHBondContact OG1-CE2 3.38Å; T747-Y763 PolarHBondContact OG1-OH 3.48Å; L761-Y763 HydrophobicContact CD2-CE1 3.53Å; L761-Y763 HydrophobicContact CG-CD1 4.33Å; L761-Y763 HydrophobicContact CG-CE1 3.64Å; Y763-F765 WeakPolarHBondContact CB-O 3.49Å; Y763-F767 AromaticContact CD2-CD2 3.84Å; Y763-F767 HydrophobicContact CD2-CD2 3.84Å; Y763-F767 AromaticContact CD2-CE2 3.79Å; Y763-F767 HydrophobicContact CD2-CE2 3.79Å; Y763-F767 HydrophobicContact CE1-CE2 4.21Å; Y763-F767 HydrophobicContact CE1-CZ 4.41Å; Y763-F767 AromaticContact CE2-CD2 3.52Å; Y763-F767 HydrophobicContact CE2-CD2 3.52Å; Y763-F767 AromaticContact CE2-CE2 3.12Å; Y763-F767 HydrophobicContact CE2-CE2 3.12Å; Y763-F767 HydrophobicContact CE2-CZ 4.07Å; Y763-F767 AromaticContact CZ-CE2 3.35Å; Y763-F767 AromaticContact CZ-CZ 3.92Å; Y763-F767 WeakPolarHBondContact OH-CE2 3.37Å; Y763-F785 HydrophobicContact CD1-CE1 4.03Å; Y763-F785 AromaticContact CD1-CZ 3.56Å; Y763-F785 HydrophobicContact CD1-CZ 3.56Å; Y763-F785 HydrophobicContact CD2-CE1 4.02Å; Y763-F785 HydrophobicContact CD2-CZ 4.33Å; Y763-F785 HydrophobicContact CE1-CZ 4.04Å; Y763-F785 AromaticContact CG-CE1 3.66Å; Y763-F785 HydrophobicContact CG-CE1 3.66Å; Y763-F785 AromaticContact CG-CZ 3.7Å; Y763-F785 HydrophobicContact CG-CZ 3.7Å; Y763-Y793 HydrophobicContact CE1-CE1 4.3Å; Y763-Y793 AromaticContact CE1-CE2 3.89Å; Y763-Y793 HydrophobicContact CE1-CE2 3.89Å; Y763-Y793 AromaticContact CE1-CZ 3.61Å; Y763-Y793 WeakPolarHBondContact CE1-OH 3.22Å
764D89Confident92.7Very high160 Ų16053.6 Ų53.686%0.85629%0.285SS*.SBendtrans-75.9-32.1174.5-62.4-34000111.8
765F90.3Very high92.8Very high115 Ų11552.5 Ų52.550%0.50427%0.274SS..SBendtrans-112.8148.2178.4-62.1-80.9000111.1Y763 F785Y763-F765 WeakPolarHBondContact CB-O 3.49Å; F765-F785 HydrophobicContact CB-CB 4.31Å; F765-F785 HydrophobicContact CB-CD1 4.24Å; F765-F785 HydrophobicContact CB-CG 4.35Å; F765-F785 VanDerWaalsContact O-CD1 3.26Å; F765-F785 WeakPolarHBondContact O-CD1 3.49Å; F765-F785 VanDerWaalsContact O-CE1 3.32Å; F765-F785 WeakPolarHBondContact O-CE1 3.41Å
766P93.1Very high92.8Very high49 Ų4955.9 Ų55.932%0.31829%0.293SS..  trans-74.3136.4178.130.7-33.7000111.7E744 F785 G786E744-P766 HydrophobicContact CB-CB 4.18Å; E744-P766 CarbonylContact O-C 3.57Å; E744-P766 VanDerWaalsContact O-CA 3.26Å; E744-P766 WeakPolarHBondContact O-CA 3.28Å; P766-F785 WeakPolarHBondContact O-CA 3.36Å; P766-G786 PolarHBondContact O-N 3.38Å; P766-G786 VanDerWaalsContact O-N 3.11Å
767F95.6Very high92.6Very high3 Ų356.7 Ų56.71%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-63.9135.2163.9-85.8-50.4000110.2L664 E744 Y763 A770 C784 F785 T791 Y793L664-F767 HydrophobicContact CD1-CB 3.41Å; L664-F767 VanDerWaalsContact CD1-CB 3.41Å; L664-F767 HydrophobicContact CD1-CG 4.48Å; E744-F767 PolarHBondContact O-N 3.17Å; Y763-F767 AromaticContact CD2-CD2 3.84Å; Y763-F767 HydrophobicContact CD2-CD2 3.84Å; Y763-F767 AromaticContact CD2-CE2 3.79Å; Y763-F767 HydrophobicContact CD2-CE2 3.79Å; Y763-F767 HydrophobicContact CE1-CE2 4.21Å; Y763-F767 HydrophobicContact CE1-CZ 4.41Å; Y763-F767 AromaticContact CE2-CD2 3.52Å; Y763-F767 HydrophobicContact CE2-CD2 3.52Å; Y763-F767 AromaticContact CE2-CE2 3.12Å; Y763-F767 HydrophobicContact CE2-CE2 3.12Å; Y763-F767 HydrophobicContact CE2-CZ 4.07Å; Y763-F767 AromaticContact CZ-CE2 3.35Å; Y763-F767 AromaticContact CZ-CZ 3.92Å; Y763-F767 WeakPolarHBondContact OH-CE2 3.37Å; F767-A770 HydrophobicContact CB-CB 4.25Å; F767-A770 HydrophobicContact CD1-CB 4.26Å; F767-A770 HydrophobicContact CD2-CB 3.81Å; F767-A770 HydrophobicContact CE2-CB 4.05Å; F767-A770 HydrophobicContact CG-CB 3.9Å; F767-A770 HydrophobicContact CZ-CB 4.44Å; F767-C784 WeakPolarHBondContact CD1-O 3.27Å; F767-F785 AromaticContact CD1-CD1 3.55Å; F767-F785 HydrophobicContact CD1-CD1 3.55Å; F767-F785 AromaticContact CD1-CE1 3.48Å; F767-F785 HydrophobicContact CD1-CE1 3.48Å; F767-F785 VanDerWaalsContact CD1-CE1 3.48Å; F767-F785 HydrophobicContact CD1-CG 4.17Å; F767-F785 HydrophobicContact CD1-CZ 4.09Å; F767-F785 HydrophobicContact CD2-CE1 4.05Å; F767-F785 AromaticContact CE1-CD1 3.89Å; F767-F785 HydrophobicContact CE1-CD1 3.89Å; F767-F785 HydrophobicContact CE1-CD2 4.38Å; F767-F785 AromaticContact CE1-CE1 3.5Å; F767-F785 HydrophobicContact CE1-CE1 3.5Å; F767-F785 VanDerWaalsContact CE1-CE1 3.5Å; F767-F785 HydrophobicContact CE1-CE2 4.09Å; F767-F785 HydrophobicContact CE1-CG 4.3Å; F767-F785 AromaticContact CE1-CZ 3.6Å; F767-F785 HydrophobicContact CE1-CZ 3.6Å; F767-F785 HydrophobicContact CE2-CE1 4.12Å; F767-F785 HydrophobicContact CE2-CZ 4.33Å; F767-F785 AromaticContact CG-CD1 4Å; F767-F785 HydrophobicContact CG-CD1 4Å; F767-F785 AromaticContact CG-CE1 3.75Å; F767-F785 HydrophobicContact CG-CE1 3.75Å; F767-F785 AromaticContact CZ-CE1 3.85Å; F767-F785 HydrophobicContact CZ-CE1 3.85Å; F767-F785 AromaticContact CZ-CZ 3.76Å; F767-F785 HydrophobicContact CZ-CZ 3.76Å; F767-T791 VanDerWaalsContact CE1-OG1 3.32Å; F767-T791 WeakPolarHBondContact CE1-OG1 3.15Å; F767-T791 WeakPolarHBondContact CZ-OG1 3.27Å; F767-Y793 AromaticContact CZ-CE2 3.96Å; F767-Y793 HydrophobicContact CZ-CE2 3.96Å
768V95.1Very high92.5Very high31 Ų3160.9 Ų60.919%0.18831%0.312CS..EExtended strand (participates in β ladder)trans-88.3-43.1168176.60000109.5C784 L811 L814 E815V768-C784 PolarHBondContact N-O 3.13Å; V768-L811 HydrophobicContact CG1-CD1 4.2Å; V768-L811 HydrophobicContact CG2-CD1 3.72Å; V768-L814 HydrophobicContact CB-CB 4.3Å; V768-L814 HydrophobicContact CG1-CB 3.94Å; V768-L814 HydrophobicContact CG2-CB 4.4Å; V768-L814 HydrophobicContact CG2-CD1 4.44Å; V768-E815 HydrophobicContact CG1-CB 4.49Å; V768-E815 HydrophobicContact CG1-CG 3.79Å
769Q94.7Very high92.6Very high44 Ų4457.9 Ų57.921%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-136.7136.5175-176.663-85.300109.5G783 C784 F819Q769-G783 CarbonylContact O-C 3.58Å; Q769-G783 WeakPolarHBondContact O-CA 3.1Å; Q769-C784 PolarHBondContact O-N 3.2Å; Q769-F819 HydrophobicContact CB-CE2 4.27Å; Q769-F819 HydrophobicContact CG-CD2 4.12Å; Q769-F819 HydrophobicContact CG-CE2 3.87Å
770A96.6Very high92.6Very high0 Ų054.9 Ų54.90%028%0.284CS..EExtended strand (participates in β ladder)trans-153.9134.6173.400000111.3L664 S665 C742 F767 V782L664-A770 HydrophobicContact CD1-CB 4.09Å; S665-A770 VanDerWaalsContact CB-O 3.28Å; S665-A770 WeakPolarHBondContact CB-O 3.26Å; S665-A770 PolarHBondContact OG-O 2.86Å; C742-A770 HydrophobicContact CB-CB 3.87Å; F767-A770 HydrophobicContact CB-CB 4.25Å; F767-A770 HydrophobicContact CD1-CB 4.26Å; F767-A770 HydrophobicContact CD2-CB 3.81Å; F767-A770 HydrophobicContact CE2-CB 4.05Å; F767-A770 HydrophobicContact CG-CB 3.9Å; F767-A770 HydrophobicContact CZ-CB 4.44Å; A770-V782 CarbonylContact C-O 3.39Å; A770-V782 VanDerWaalsContact CA-O 3.26Å; A770-V782 WeakPolarHBondContact CA-O 3.36Å
771C95.9Very high92.8Very high30 Ų3051.1 Ų51.120%0.20326%0.264CS..EExtended strand (participates in β ladder)trans-149.9167.7176.965.50000112.5S665 V782S665-C771 WeakPolarHBondContact OG-CA 3.33Å; C771-V782 PolarHBondContact N-O 2.89Å; C771-V782 PolarHBondContact O-N 2.96Å
772V96.4Very high92.9Very high10 Ų1049 Ų496%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-92.9121.1171.1-174.40000108.8S667 L675 V740 P779 L780 V781S667-V772 WeakPolarHBondContact OG-CB 3.21Å; L675-V772 HydrophobicContact CD1-CB 4.42Å; L675-V772 HydrophobicContact CD1-CG1 3.99Å; V740-V772 HydrophobicContact CB-CG2 4.01Å; V740-V772 HydrophobicContact CG1-CG2 3.79Å; V772-P779 HydrophobicContact CG1-CB 3.8Å; V772-L780 WeakPolarHBondContact CA-O 3.36Å; V772-V781 HydrophobicContact CG2-CG2 4.27Å
773V94.1Very high93Very high4 Ų442.3 Ų42.32%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-115.6166.3173.5-60.50000109.8P779 L780 V782 F819V773-P779 CarbonylContact O-C 3.52Å; V773-P779 VanDerWaalsContact O-CA 3.28Å; V773-P779 WeakPolarHBondContact O-CA 3.26Å; V773-L780 HydrophobicContact CG2-CD1 4.37Å; V773-L780 HydrophobicContact CG2-CG 4.11Å; V773-L780 PolarHBondContact N-O 3.07Å; V773-L780 PolarHBondContact O-N 2.82Å; V773-V782 HydrophobicContact CB-CG2 4.28Å; V773-V782 HydrophobicContact CG1-CG2 3.7Å; V773-V782 HydrophobicContact CG2-CB 4.34Å; V773-V782 HydrophobicContact CG2-CG1 3.72Å; V773-V782 HydrophobicContact CG2-CG2 3.61Å; V773-F819 HydrophobicContact CG1-CB 3.88Å
774T91.7Very high93.2Very high19 Ų1941.2 Ų41.212%0.11722%0.22CC..EExtended strand (participates in β ladder)trans-110.8138.5175.6580000110.7L675 K778 H821 Q822L675-T774 HydrophobicContact CB-CG2 3.83Å; L675-T774 HydrophobicContact CD2-CG2 3.65Å; L675-T774 HydrophobicContact CG-CG2 4.41Å; T774-K778 CarbonylContact C-O 3.57Å; T774-K778 WeakPolarHBondContact CA-O 3.29Å; T774-H821 PolarHBondContact N-ND1 3.44Å; T774-H821 VanDerWaalsContact N-ND1 3.19Å; T774-H821 WeakPolarHBondContact O-CA 3.11Å; T774-H821 PolarHBondContact OG1-ND1 2.87Å; T774-Q822 PolarHBondContact O-N 3.04Å
775F87.2Confident93.5Very high56 Ų5634.1 Ų34.125%0.24618%0.181CC..EExtended strand (participates in β ladder)trans-134.3123.6175.8-178.9-103.7000108.7A777 K778 L780 Q822 S840 H842F775-A777 PolarHBondContact O-N 3.26Å; F775-K778 PolarHBondContact N-O 3.42Å; F775-K778 PolarHBondContact O-N 3.31Å; F775-L780 HydrophobicContact CB-CD2 3.42Å; F775-L780 VanDerWaalsContact CB-CD2 3.42Å; F775-L780 HydrophobicContact CG-CD2 4.43Å; F775-Q822 WeakPolarHBondContact CE2-O 3.46Å; F775-S840 WeakPolarHBondContact CE2-OG 3.29Å; F775-S840 WeakPolarHBondContact CZ-OG 3.2Å; F775-H842 HydrophobicContact CZ-CB 4.35Å
776N83.4Confident93.6Very high101 Ų10130.2 Ų30.254%0.5417%0.173SC..THydrogen-bonded Turntrans49.343-173.6-70.9-20.7000113.1K778 Q822N776-K778 PolarHBondContact O-N 3.1Å; N776-Q822 VanDerWaalsContact N-OE1 3.07Å
777A83.8Confident93.5Very high62 Ų6229.3 Ų29.351%0.51217%0.168SC..THydrogen-bonded Turntrans62.710.2-175.300000116F775F775-A777 PolarHBondContact O-N 3.26Å
778K91.1Very high93.3Very high154 Ų15429.2 Ų29.267%0.6717%0.168SC*.EExtended strand (participates in β ladder)trans-106.5131.8174.3-63.8-175.4178.9-177.10110.7T774 F775 N776T774-K778 CarbonylContact C-O 3.57Å; T774-K778 WeakPolarHBondContact CA-O 3.29Å; F775-K778 PolarHBondContact N-O 3.42Å; F775-K778 PolarHBondContact O-N 3.31Å; N776-K778 PolarHBondContact O-N 3.1Å
779P94.9Very high93.4Very high11 Ų1131.3 Ų31.37%0.07117%0.172CC..EExtended strand (participates in β ladder)trans-75.2148.4175.127.7-28.9000111.7L669 C673 L675 V772 V773 V795L669-P779 HydrophobicContact CD2-CB 4.17Å; L669-P779 HydrophobicContact CD2-CG 3.94Å; C673-P779 WeakPolarHBondContact O-CD 3.46Å; C673-P779 WeakPolarHBondContact O-CG 3.27Å; L675-P779 HydrophobicContact CB-CB 4.32Å; V772-P779 HydrophobicContact CG1-CB 3.8Å; V773-P779 CarbonylContact O-C 3.52Å; V773-P779 VanDerWaalsContact O-CA 3.28Å; V773-P779 WeakPolarHBondContact O-CA 3.26Å; P779-V795 HydrophobicContact CG-CB 4.43Å; P779-V795 HydrophobicContact CG-CG1 4.29Å
780L95.9Very high93.4Very high15 Ų1529.3 Ų29.38%0.07916%0.163CC..EExtended strand (participates in β ladder)trans-148.3154.2170.365.1123.8000109.7V772 V773 F775 V782 A792 Y793 L801V772-L780 WeakPolarHBondContact CA-O 3.36Å; V773-L780 HydrophobicContact CG2-CD1 4.37Å; V773-L780 HydrophobicContact CG2-CG 4.11Å; V773-L780 PolarHBondContact N-O 3.07Å; V773-L780 PolarHBondContact O-N 2.82Å; F775-L780 HydrophobicContact CB-CD2 3.42Å; F775-L780 VanDerWaalsContact CB-CD2 3.42Å; F775-L780 HydrophobicContact CG-CD2 4.43Å; L780-V782 HydrophobicContact CD1-CG1 3.29Å; L780-V782 HydrophobicContact CG-CG1 4.28Å; L780-A792 HydrophobicContact CD1-CB 3.76Å; L780-Y793 WeakPolarHBondContact CA-O 3.47Å; L780-Y793 VanDerWaalsContact CB-O 3.32Å; L780-Y793 WeakPolarHBondContact CB-O 3.48Å; L780-L801 HydrophobicContact CB-CD1 4.38Å
781V97.6Very high93.4Very high0 Ų029.3 Ų29.30%016%0.163CC..EExtended strand (participates in β ladder)trans-86.1129.2173.6-1770000107.9V740 T747 V772 A792 Y793 V795 L798V740-V781 HydrophobicContact CG1-CG2 3.92Å; T747-V781 HydrophobicContact CG2-CG1 4.31Å; T747-V781 HydrophobicContact CG2-CG2 4.05Å; V772-V781 HydrophobicContact CG2-CG2 4.27Å; V781-A792 CarbonylContact O-C 3.5Å; V781-A792 WeakPolarHBondContact O-CA 3.3Å; V781-Y793 HydrophobicContact CB-CD2 4.49Å; V781-Y793 PolarHBondContact N-O 2.86Å; V781-Y793 PolarHBondContact O-N 2.93Å; V781-V795 HydrophobicContact CG2-CG2 3.73Å; V781-L798 HydrophobicContact CG2-CD2 4.22Å
782V97.1Very high93.5Very high1 Ų128.1 Ų28.11%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-123.4145.8172.5-66.60000109.6A770 C771 V773 L780 T791 A792 F819 F839A770-V782 CarbonylContact C-O 3.39Å; A770-V782 VanDerWaalsContact CA-O 3.26Å; A770-V782 WeakPolarHBondContact CA-O 3.36Å; C771-V782 PolarHBondContact N-O 2.89Å; C771-V782 PolarHBondContact O-N 2.96Å; V773-V782 HydrophobicContact CB-CG2 4.28Å; V773-V782 HydrophobicContact CG1-CG2 3.7Å; V773-V782 HydrophobicContact CG2-CB 4.34Å; V773-V782 HydrophobicContact CG2-CG1 3.72Å; V773-V782 HydrophobicContact CG2-CG2 3.61Å; L780-V782 HydrophobicContact CD1-CG1 3.29Å; L780-V782 HydrophobicContact CG-CG1 4.28Å; V782-T791 WeakPolarHBondContact CA-O 3.44Å; V782-A792 HydrophobicContact CG1-CB 4.08Å; V782-F819 HydrophobicContact CB-CD1 4.06Å; V782-F819 HydrophobicContact CB-CE1 4.35Å; V782-F819 HydrophobicContact CB-CG 4.2Å; V782-F819 HydrophobicContact CG2-CB 3.56Å; V782-F819 HydrophobicContact CG2-CD1 3.75Å; V782-F819 HydrophobicContact CG2-CD2 3.85Å; V782-F819 HydrophobicContact CG2-CE1 4.44Å; V782-F819 HydrophobicContact CG2-CG 3.43Å; V782-F819 VanDerWaalsContact CG2-CG 3.43Å; V782-F839 HydrophobicContact CG1-CE2 3.79Å; V782-F839 HydrophobicContact CG1-CZ 3.93Å
783G96.7Very high93.5Very high0 Ų028.2 Ų28.20%016%0.155CC..EExtended strand (participates in β ladder)trans-169.6163178.600000113.6Q769 T791Q769-G783 CarbonylContact O-C 3.58Å; Q769-G783 WeakPolarHBondContact O-CA 3.1Å; G783-T791 PolarHBondContact N-O 3.3Å; G783-T791 PolarHBondContact O-N 3.17Å; G783-T791 PolarHBondContact O-OG1 3.33Å; G783-T791 VanDerWaalsContact O-OG1 3.13Å
784C96.4Very high93.6Very high0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-119.9132.3174.460.10000111.5F767 V768 Q769 R789 L807 L814 F819F767-C784 WeakPolarHBondContact CD1-O 3.27Å; V768-C784 PolarHBondContact N-O 3.13Å; Q769-C784 PolarHBondContact O-N 3.2Å; C784-R789 CarbonylContact C-O 3.51Å; C784-R789 VanDerWaalsContact CA-O 3.26Å; C784-R789 WeakPolarHBondContact CA-O 3.49Å; C784-L807 HydrophobicContact CB-CD1 3.49Å; C784-L807 VanDerWaalsContact CB-CD1 3.49Å; C784-L814 HydrophobicContact CB-CD2 4.43Å; C784-F819 HydrophobicContact CB-CZ 4.36Å
785F95.8Very high93.8Very high12 Ų1229.1 Ų29.15%0.05316%0.161CC..EExtended strand (participates in β ladder)trans-82.4156.2174.2-65.6-62.8000111Y763 F765 P766 F767 S787 G788 R789 T791Y763-F785 HydrophobicContact CD1-CE1 4.03Å; Y763-F785 AromaticContact CD1-CZ 3.56Å; Y763-F785 HydrophobicContact CD1-CZ 3.56Å; Y763-F785 HydrophobicContact CD2-CE1 4.02Å; Y763-F785 HydrophobicContact CD2-CZ 4.33Å; Y763-F785 HydrophobicContact CE1-CZ 4.04Å; Y763-F785 AromaticContact CG-CE1 3.66Å; Y763-F785 HydrophobicContact CG-CE1 3.66Å; Y763-F785 AromaticContact CG-CZ 3.7Å; Y763-F785 HydrophobicContact CG-CZ 3.7Å; F765-F785 HydrophobicContact CB-CB 4.31Å; F765-F785 HydrophobicContact CB-CD1 4.24Å; F765-F785 HydrophobicContact CB-CG 4.35Å; F765-F785 VanDerWaalsContact O-CD1 3.26Å; F765-F785 WeakPolarHBondContact O-CD1 3.49Å; F765-F785 VanDerWaalsContact O-CE1 3.32Å; F765-F785 WeakPolarHBondContact O-CE1 3.41Å; P766-F785 WeakPolarHBondContact O-CA 3.36Å; F767-F785 AromaticContact CD1-CD1 3.55Å; F767-F785 HydrophobicContact CD1-CD1 3.55Å; F767-F785 AromaticContact CD1-CE1 3.48Å; F767-F785 HydrophobicContact CD1-CE1 3.48Å; F767-F785 VanDerWaalsContact CD1-CE1 3.48Å; F767-F785 HydrophobicContact CD1-CG 4.17Å; F767-F785 HydrophobicContact CD1-CZ 4.09Å; F767-F785 HydrophobicContact CD2-CE1 4.05Å; F767-F785 AromaticContact CE1-CD1 3.89Å; F767-F785 HydrophobicContact CE1-CD1 3.89Å; F767-F785 HydrophobicContact CE1-CD2 4.38Å; F767-F785 AromaticContact CE1-CE1 3.5Å; F767-F785 HydrophobicContact CE1-CE1 3.5Å; F767-F785 VanDerWaalsContact CE1-CE1 3.5Å; F767-F785 HydrophobicContact CE1-CE2 4.09Å; F767-F785 HydrophobicContact CE1-CG 4.3Å; F767-F785 AromaticContact CE1-CZ 3.6Å; F767-F785 HydrophobicContact CE1-CZ 3.6Å; F767-F785 HydrophobicContact CE2-CE1 4.12Å; F767-F785 HydrophobicContact CE2-CZ 4.33Å; F767-F785 AromaticContact CG-CD1 4Å; F767-F785 HydrophobicContact CG-CD1 4Å; F767-F785 AromaticContact CG-CE1 3.75Å; F767-F785 HydrophobicContact CG-CE1 3.75Å; F767-F785 AromaticContact CZ-CE1 3.85Å; F767-F785 HydrophobicContact CZ-CE1 3.85Å; F767-F785 AromaticContact CZ-CZ 3.76Å; F767-F785 HydrophobicContact CZ-CZ 3.76Å; F785-S787 PolarHBondContact O-N 2.85Å; F785-G788 PolarHBondContact O-N 2.86Å; F785-R789 HydrophobicContact CB-CB 4.39Å; F785-R789 HydrophobicContact CD2-CB 3.93Å; F785-R789 PolarHBondContact N-O 2.91Å; F785-T791 HydrophobicContact CD2-CG2 3.89Å; F785-T791 HydrophobicContact CE2-CG2 3.39Å; F785-T791 HydrophobicContact CZ-CG2 4.35Å
786G91.9Very high94.1Very high32 Ų3228.1 Ų28.133%0.3316%0.16SC..THydrogen-bonded Turntrans-57.6-17.4172.900000113.9P766 G788P766-G786 PolarHBondContact O-N 3.38Å; P766-G786 VanDerWaalsContact O-N 3.11Å; G786-G788 PolarHBondContact O-N 2.9Å
787S91.5Very high94.7Very high31 Ų3125.1 Ų25.122%0.21715%0.148CC..THydrogen-bonded Turntrans-77.11.3172.868.50000114.5F785 R789F785-S787 PolarHBondContact O-N 2.85Å; S787-R789 VanDerWaalsContact C-N 3.32Å; S787-R789 WeakPolarHBondContact OG-CG 3.29Å
788G92.3Very high95.3Very high1 Ų122.7 Ų22.71%0.0113%0.126CC..SBendtrans78.110.9-174.600000114.6F785 G786 Y806 L807F785-G788 PolarHBondContact O-N 2.86Å; G786-G788 PolarHBondContact O-N 2.9Å; G788-Y806 PolarHBondContact O-N 3.11Å; G788-L807 WeakPolarHBondContact CA-O 3.4Å; G788-L807 PolarHBondContact O-N 2.96Å
789R95.5Very high95.6Very high74 Ų7424.1 Ų24.128%0.27913%0.127SC..EExtended strand (participates in β ladder)trans-84129.6178.4-70.9-177.677.981.6-5.8110.7C784 F785 S787 D803 I804 P805C784-R789 CarbonylContact C-O 3.51Å; C784-R789 VanDerWaalsContact CA-O 3.26Å; C784-R789 WeakPolarHBondContact CA-O 3.49Å; F785-R789 HydrophobicContact CB-CB 4.39Å; F785-R789 HydrophobicContact CD2-CB 3.93Å; F785-R789 PolarHBondContact N-O 2.91Å; S787-R789 VanDerWaalsContact C-N 3.32Å; S787-R789 WeakPolarHBondContact OG-CG 3.29Å; R789-D803 IonicContact CZ-OD1 3.6Å; R789-D803 IonicContact CZ-OD2 2.92Å; R789-D803 IonicContact NE-OD1 3.19Å; R789-D803 PolarHBondContact NE-OD1 2.79Å; R789-D803 IonicContact NE-OD2 3.3Å; R789-D803 PolarHBondContact NH2-O 3.21Å; R789-D803 IonicContact NH2-OD1 3.97Å; R789-D803 PolarHBondContact NH2-OD1 3.47Å; R789-D803 IonicContact NH2-OD2 3.08Å; R789-D803 PolarHBondContact NH2-OD2 2.64Å; R789-I804 CarbonylContact C-O 3.52Å; R789-I804 WeakPolarHBondContact CA-O 3.41Å; R789-P805 HydrophobicContact CG-CB 4.44Å
790L96.3Very high95.7Very high3 Ų328 Ų282%0.01615%0.15CC..EExtended strand (participates in β ladder)trans-95.5129.9173.5173.965.8000109.3L802 D803 I804 Y806 F819 F837 F839L790-L802 HydrophobicContact CD2-CD2 3.95Å; L790-L802 HydrophobicContact CG-CD2 4.1Å; L790-D803 WeakPolarHBondContact O-CA 3.46Å; L790-I804 HydrophobicContact CB-CG1 4.29Å; L790-I804 PolarHBondContact N-O 2.87Å; L790-I804 PolarHBondContact O-N 2.82Å; L790-Y806 HydrophobicContact CD2-CD1 4.47Å; L790-F819 HydrophobicContact CD1-CE1 3.55Å; L790-F819 HydrophobicContact CD1-CZ 3.98Å; L790-F837 HydrophobicContact CD2-CE2 3.67Å; L790-F837 HydrophobicContact CD2-CZ 4.42Å; L790-F839 HydrophobicContact CD2-CB 3.96Å
791T96.7Very high95.6Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-131.7152.4-178.360.90000113.3F767 V782 G783 F785 Y793 L802 D803F767-T791 VanDerWaalsContact CE1-OG1 3.32Å; F767-T791 WeakPolarHBondContact CE1-OG1 3.15Å; F767-T791 WeakPolarHBondContact CZ-OG1 3.27Å; V782-T791 WeakPolarHBondContact CA-O 3.44Å; G783-T791 PolarHBondContact N-O 3.3Å; G783-T791 PolarHBondContact O-N 3.17Å; G783-T791 PolarHBondContact O-OG1 3.33Å; G783-T791 VanDerWaalsContact O-OG1 3.13Å; F785-T791 HydrophobicContact CD2-CG2 3.89Å; F785-T791 HydrophobicContact CE2-CG2 3.39Å; F785-T791 HydrophobicContact CZ-CG2 4.35Å; T791-Y793 HydrophobicContact CG2-CE2 4.48Å; T791-Y793 WeakPolarHBondContact OG1-CE2 3.25Å; T791-L802 CarbonylContact C-O 3.59Å; T791-L802 WeakPolarHBondContact CA-O 3.22Å; T791-D803 HydrophobicContact CG2-CB 4.05Å; T791-D803 WeakPolarHBondContact CG2-OD1 3.49Å
792A96.6Very high95.5Very high5 Ų534.4 Ų34.44%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-139138.1170.600000110.2L780 V781 V782 L801 L802L780-A792 HydrophobicContact CD1-CB 3.76Å; V781-A792 CarbonylContact O-C 3.5Å; V781-A792 WeakPolarHBondContact O-CA 3.3Å; V782-A792 HydrophobicContact CG1-CB 4.08Å; A792-L801 HydrophobicContact CB-CB 4.26Å; A792-L801 PolarHBondContact O-N 2.83Å; A792-L802 HydrophobicContact CB-CB 3.77Å; A792-L802 PolarHBondContact N-O 2.98Å; A792-L802 PolarHBondContact O-N 2.83Å
793Y97.3Very high95.4Very high11 Ų1137.5 Ų37.54%0.04320%0.2CC..EExtended strand (participates in β ladder)trans-129.3139.6-179.8-54.6-86.5000111.4L761 Y763 F767 L780 V781 T791 R799 V800L761-Y793 HydrophobicContact CD2-CD1 3.34Å; L761-Y793 HydrophobicContact CD2-CD2 4.47Å; L761-Y793 HydrophobicContact CD2-CE1 3.26Å; L761-Y793 HydrophobicContact CD2-CE2 4.41Å; L761-Y793 HydrophobicContact CD2-CG 3.99Å; Y763-Y793 HydrophobicContact CE1-CE1 4.3Å; Y763-Y793 AromaticContact CE1-CE2 3.89Å; Y763-Y793 HydrophobicContact CE1-CE2 3.89Å; Y763-Y793 AromaticContact CE1-CZ 3.61Å; Y763-Y793 WeakPolarHBondContact CE1-OH 3.22Å; F767-Y793 AromaticContact CZ-CE2 3.96Å; F767-Y793 HydrophobicContact CZ-CE2 3.96Å; L780-Y793 WeakPolarHBondContact CA-O 3.47Å; L780-Y793 VanDerWaalsContact CB-O 3.32Å; L780-Y793 WeakPolarHBondContact CB-O 3.48Å; V781-Y793 HydrophobicContact CB-CD2 4.49Å; V781-Y793 PolarHBondContact N-O 2.86Å; V781-Y793 PolarHBondContact O-N 2.93Å; T791-Y793 HydrophobicContact CG2-CE2 4.48Å; T791-Y793 WeakPolarHBondContact OG1-CE2 3.25Å; Y793-R799 CarbonylContact C-O 3.35Å; Y793-R799 WeakPolarHBondContact CA-O 3.2Å; Y793-V800 HydrophobicContact CD1-CB 4.44Å; Y793-V800 HydrophobicContact CD1-CG2 4.09Å; Y793-V800 HydrophobicContact CE1-CB 4.36Å; Y793-V800 HydrophobicContact CE1-CG2 3.7Å
794S96.1Very high95.3Very high21 Ų2140.6 Ų40.615%0.14722%0.216CC..EExtended strand (participates in β ladder)trans-66.5150.9175.667.30000111.6S797 L798 R799S794-S797 PolarHBondContact OG-OG 2.85Å; S794-L798 WeakPolarHBondContact O-CA 3.21Å; S794-L798 PolarHBondContact O-N 2.98Å; S794-R799 PolarHBondContact N-O 2.77Å; S794-R799 WeakPolarHBondContact OG-CB 3.27Å; S794-R799 PolarHBondContact OG-N 3.08Å
795V95.2Very high95.1Very high21 Ų2145.6 Ų45.613%0.12725%0.249CC..THydrogen-bonded Turntrans-114.6141171.3171.20000108.5L669 V740 P779 V781L669-V795 HydrophobicContact CD1-CG1 3.15Å; L669-V795 HydrophobicContact CD2-CG1 4.27Å; L669-V795 HydrophobicContact CG-CG1 4.33Å; V740-V795 HydrophobicContact CG2-CG1 4.29Å; P779-V795 HydrophobicContact CG-CB 4.43Å; P779-V795 HydrophobicContact CG-CG1 4.29Å; V781-V795 HydrophobicContact CG2-CG2 3.73Å
796P94.1Very high94.9Very high35 Ų3550.6 Ų50.623%0.22727%0.268CS..THydrogen-bonded Turncis-83.4-12.3-0.634.6-36000114V749 F759 L798V749-P796 HydrophobicContact CG1-CB 4.03Å; V749-P796 WeakPolarHBondContact CG2-O 3.26Å; F759-P796 HydrophobicContact CD2-CB 4.07Å; F759-P796 WeakPolarHBondContact CD2-O 3.45Å; F759-P796 HydrophobicContact CE2-CB 3.92Å; F759-P796 HydrophobicContact CE2-CG 4.07Å; F759-P796 WeakPolarHBondContact CG-O 3.45Å; P796-L798 VanDerWaalsContact C-N 3.29Å; P796-L798 PolarHBondContact O-N 3.3Å
797S95.8Very high94.9Very high39 Ų3949.6 Ų49.627%0.27326%0.255SS..THydrogen-bonded Turntrans-74.3-6-165.556.40000117S794 R799S794-S797 PolarHBondContact OG-OG 2.85Å; S797-R799 PolarHBondContact O-N 3.15Å
798L96.9Very high94.7Very high11 Ų1150.6 Ų50.66%0.05826%0.261CS..  trans53.132.2-179.1-56.2-179.2000114.7T747 V749 F759 L761 V781 S794 P796T747-L798 HydrophobicContact CG2-CD1 4.16Å; T747-L798 HydrophobicContact CG2-CD2 3.73Å; T747-L798 VanDerWaalsContact O-CD1 3.24Å; T747-L798 WeakPolarHBondContact O-CD1 3.02Å; V749-L798 HydrophobicContact CG2-CD1 4.24Å; V749-L798 HydrophobicContact CG2-CD2 4Å; V749-L798 HydrophobicContact CG2-CG 4.07Å; F759-L798 HydrophobicContact CB-CD1 3.85Å; F759-L798 HydrophobicContact CB-CG 4.02Å; L761-L798 HydrophobicContact CB-CB 4.15Å; L761-L798 HydrophobicContact CB-CD1 3.8Å; L761-L798 HydrophobicContact CD2-CB 4.33Å; V781-L798 HydrophobicContact CG2-CD2 4.22Å; S794-L798 WeakPolarHBondContact O-CA 3.21Å; S794-L798 PolarHBondContact O-N 2.98Å; P796-L798 VanDerWaalsContact C-N 3.29Å; P796-L798 PolarHBondContact O-N 3.3Å
799R97Very high94.4Very high184 Ų18458.7 Ų58.769%0.69430%0.298SS*.  trans-73.9138.5174.6-61.5-180-179.4176.40.1109.9Y793 S794 S797 L801Y793-R799 CarbonylContact C-O 3.35Å; Y793-R799 WeakPolarHBondContact CA-O 3.2Å; S794-R799 PolarHBondContact N-O 2.77Å; S794-R799 WeakPolarHBondContact OG-CB 3.27Å; S794-R799 PolarHBondContact OG-N 3.08Å; S797-R799 PolarHBondContact O-N 3.15Å; R799-L801 PolarHBondContact O-N 2.88Å
800V96.3Very high93.9Very high91 Ų9159.1 Ų59.155%0.55231%0.306SS*.EExtended strand (participates in β ladder)trans-61.3122.8175-175.80000109.4Y793 D803Y793-V800 HydrophobicContact CD1-CB 4.44Å; Y793-V800 HydrophobicContact CD1-CG2 4.09Å; Y793-V800 HydrophobicContact CE1-CB 4.36Å; Y793-V800 HydrophobicContact CE1-CG2 3.7Å; V800-D803 HydrophobicContact CG1-CB 3.97Å
801L94.6Very high93.4Very high109 Ų10963.6 Ų63.657%0.57133%0.329SS*.EExtended strand (participates in β ladder)trans-103.9-34.6171.9-60.8177.8000111.3L780 A792 R799L780-L801 HydrophobicContact CB-CD1 4.38Å; A792-L801 HydrophobicContact CB-CB 4.26Å; A792-L801 PolarHBondContact O-N 2.83Å; R799-L801 PolarHBondContact O-N 2.88Å
802L94.8Very high92.9Very high42 Ų4268.2 Ų68.222%0.2235%0.351CS..EExtended strand (participates in β ladder)trans-146.2138.4178.9-175.468.3000109L790 T791 A792 I804 F839L790-L802 HydrophobicContact CD2-CD2 3.95Å; L790-L802 HydrophobicContact CG-CD2 4.1Å; T791-L802 CarbonylContact C-O 3.59Å; T791-L802 WeakPolarHBondContact CA-O 3.22Å; A792-L802 HydrophobicContact CB-CB 3.77Å; A792-L802 PolarHBondContact N-O 2.98Å; A792-L802 PolarHBondContact O-N 2.83Å; L802-I804 HydrophobicContact CD1-CD1 4.11Å; L802-I804 HydrophobicContact CD1-CG1 4.1Å; L802-I804 HydrophobicContact CD1-CG2 4Å; L802-I804 HydrophobicContact CD2-CD1 4.5Å; L802-I804 HydrophobicContact CD2-CG1 4.46Å; L802-I804 HydrophobicContact CG-CG1 4.2Å; L802-F839 HydrophobicContact CD2-CB 3.99Å
803D95Very high92.4Very high65 Ų6568.3 Ų68.335%0.34835%0.351SS..EExtended strand (participates in β ladder)trans-156.497.7168.8179.719.3000110.1R789 L790 T791 V800R789-D803 IonicContact CZ-OD1 3.6Å; R789-D803 IonicContact CZ-OD2 2.92Å; R789-D803 IonicContact NE-OD1 3.19Å; R789-D803 PolarHBondContact NE-OD1 2.79Å; R789-D803 IonicContact NE-OD2 3.3Å; R789-D803 PolarHBondContact NH2-O 3.21Å; R789-D803 IonicContact NH2-OD1 3.97Å; R789-D803 PolarHBondContact NH2-OD1 3.47Å; R789-D803 IonicContact NH2-OD2 3.08Å; R789-D803 PolarHBondContact NH2-OD2 2.64Å; L790-D803 WeakPolarHBondContact O-CA 3.46Å; T791-D803 HydrophobicContact CG2-CB 4.05Å; T791-D803 WeakPolarHBondContact CG2-OD1 3.49Å; V800-D803 HydrophobicContact CG1-CB 3.97Å
804I95.2Very high92.1Very high65 Ų6567.9 Ų67.933%0.33335%0.35SS..EExtended strand (participates in β ladder)trans-135.9142.8-172.658.1168.7000112.2R789 L790 L802 Y806R789-I804 CarbonylContact C-O 3.52Å; R789-I804 WeakPolarHBondContact CA-O 3.41Å; L790-I804 HydrophobicContact CB-CG1 4.29Å; L790-I804 PolarHBondContact N-O 2.87Å; L790-I804 PolarHBondContact O-N 2.82Å; L802-I804 HydrophobicContact CD1-CD1 4.11Å; L802-I804 HydrophobicContact CD1-CG1 4.1Å; L802-I804 HydrophobicContact CD1-CG2 4Å; L802-I804 HydrophobicContact CD2-CD1 4.5Å; L802-I804 HydrophobicContact CD2-CG1 4.46Å; L802-I804 HydrophobicContact CG-CG1 4.2Å; I804-Y806 HydrophobicContact CD1-CD2 4.32Å; I804-Y806 HydrophobicContact CD1-CG 4.3Å; I804-Y806 PolarHBondContact O-N 3.05Å; I804-Y806 VanDerWaalsContact O-N 3.16Å
805P93.1Very high91.8Very high105 Ų10572 Ų7268%0.68237%0.366SS*.EExtended strand (participates in β ladder)trans-77.995.317032.1-31000109.5R789R789-P805 HydrophobicContact CG-CB 4.44Å
806Y91.4Very high91.6Very high118 Ų11871.7 Ų71.746%0.46337%0.365SS..  trans-120.5-35.3-171.8-175.2-102.4000113.8G788 L790 I804 F837G788-Y806 PolarHBondContact O-N 3.11Å; L790-Y806 HydrophobicContact CD2-CD1 4.47Å; I804-Y806 HydrophobicContact CD1-CD2 4.32Å; I804-Y806 HydrophobicContact CD1-CG 4.3Å; I804-Y806 PolarHBondContact O-N 3.05Å; I804-Y806 VanDerWaalsContact O-N 3.16Å; Y806-F837 HydrophobicContact CD1-CD2 4.16Å; Y806-F837 HydrophobicContact CD1-CE2 4.26Å; Y806-F837 HydrophobicContact CE1-CB 3.93Å; Y806-F837 HydrophobicContact CE1-CD1 4.31Å; Y806-F837 AromaticContact CE1-CD2 3.57Å; Y806-F837 HydrophobicContact CE1-CD2 3.57Å; Y806-F837 HydrophobicContact CE1-CE2 4.1Å; Y806-F837 AromaticContact CE1-CG 3.68Å; Y806-F837 HydrophobicContact CE1-CG 3.68Å
807L91.4Very high91.6Very high11 Ų1170 Ų706%0.05835%0.354CS..SBendtrans-91.3152.5-174.6-66.4167.4000111.1C784 G788 L814 V817 Y827 F837C784-L807 HydrophobicContact CB-CD1 3.49Å; C784-L807 VanDerWaalsContact CB-CD1 3.49Å; G788-L807 WeakPolarHBondContact CA-O 3.4Å; G788-L807 PolarHBondContact O-N 2.96Å; L807-L814 HydrophobicContact CB-CD2 3.62Å; L807-L814 HydrophobicContact CD1-CD2 3.79Å; L807-L814 HydrophobicContact CG-CD2 4.3Å; L807-V817 HydrophobicContact CD1-CG2 4.19Å; L807-Y827 HydrophobicContact CD2-CD1 3.95Å; L807-Y827 HydrophobicContact CD2-CE1 3.75Å; L807-F837 HydrophobicContact CD2-CE1 3.96Å; L807-F837 HydrophobicContact CD2-CZ 4.08Å
808P86.9Confident91.5Very high51 Ų5171.7 Ų71.733%0.33135%0.354SS..  trans-61.7148175.427-34.9000110.9N810 Y827P808-N810 PolarHBondContact O-N 3.03Å; P808-Y827 HydrophobicContact CG-CE2 4.08Å
809Q85.3Confident91.5Very high171 Ų17172.1 Ų72.180%0.79936%0.356SS*.SBendtrans-77.937.1175.1-63.3-178.6-6.400112.3
810N86.2Confident91.2Very high84 Ų8463.5 Ų63.545%0.44932%0.324SS..  trans-107112.3176.7-177.3-22.5000108.7P808 H812 S813 L814P808-N810 PolarHBondContact O-N 3.03Å; N810-H812 VanDerWaalsContact C-N 3.29Å; N810-H812 PolarHBondContact O-N 3.25Å; N810-H812 WeakPolarHBondContact OD1-CB 3.44Å; N810-H812 PolarHBondContact OD1-N 3.47Å; N810-H812 VanDerWaalsContact OD1-N 3.08Å; N810-S813 PolarHBondContact O-N 3.01Å; N810-L814 WeakPolarHBondContact O-CG 3.44Å; N810-L814 PolarHBondContact O-N 3.26Å; N810-L814 VanDerWaalsContact O-N 3.1Å
811L85.2Confident90.9Very high96 Ų9662.2 Ų62.250%0.50331%0.312SS..Hα-helixtrans-57.8-39.8-175.8-175.161.5000112.7V768 S813 L814 E815V768-L811 HydrophobicContact CG1-CD1 4.2Å; V768-L811 HydrophobicContact CG2-CD1 3.72Å; L811-S813 PolarHBondContact O-N 2.99Å; L811-L814 WeakPolarHBondContact O-CB 3.3Å; L811-L814 PolarHBondContact O-N 3.21Å; L811-L814 VanDerWaalsContact O-N 3.11Å; L811-E815 WeakPolarHBondContact O-CG 3.27Å; L811-E815 PolarHBondContact O-N 2.87Å
812H85.6Confident90.5Very high98 Ų9859.7 Ų59.745%0.45430%0.297SS..Hα-helixtrans-62.2-44180-176.462.7000111.6N810 L814 E815 T816N810-H812 VanDerWaalsContact C-N 3.29Å; N810-H812 PolarHBondContact O-N 3.25Å; N810-H812 WeakPolarHBondContact OD1-CB 3.44Å; N810-H812 PolarHBondContact OD1-N 3.47Å; N810-H812 VanDerWaalsContact OD1-N 3.08Å; H812-L814 VanDerWaalsContact C-N 3.32Å; H812-L814 PolarHBondContact O-N 3.17Å; H812-E815 PolarHBondContact O-N 2.79Å; H812-T816 WeakPolarHBondContact O-CG2 3.4Å; H812-T816 PolarHBondContact O-N 3.02Å
813S86.7Confident90.2Very high7 Ų757.7 Ų57.75%0.04929%0.287CS..Hα-helixtrans-63.4-38.9174.3-64.50000111.9N810 L811 E815 T816 M828N810-S813 PolarHBondContact O-N 3.01Å; L811-S813 PolarHBondContact O-N 2.99Å; S813-E815 PolarHBondContact O-N 3.2Å; S813-T816 PolarHBondContact O-N 3.35Å; S813-T816 PolarHBondContact O-OG1 2.83Å; S813-M828 WeakPolarHBondContact CB-O 3.15Å; S813-M828 PolarHBondContact OG-O 2.82Å; S813-M828 VanDerWaalsContact OG-O 3.04Å
814L91.2Very high89.9Confident1 Ų154.7 Ų54.71%0.00527%0.27CS..Hα-helixtrans-65.5-36.4179.4-66174.9000112.8V768 C784 L807 N810 L811 H812 T816 V817V768-L814 HydrophobicContact CB-CB 4.3Å; V768-L814 HydrophobicContact CG1-CB 3.94Å; V768-L814 HydrophobicContact CG2-CB 4.4Å; V768-L814 HydrophobicContact CG2-CD1 4.44Å; C784-L814 HydrophobicContact CB-CD2 4.43Å; L807-L814 HydrophobicContact CB-CD2 3.62Å; L807-L814 HydrophobicContact CD1-CD2 3.79Å; L807-L814 HydrophobicContact CG-CD2 4.3Å; N810-L814 WeakPolarHBondContact O-CG 3.44Å; N810-L814 PolarHBondContact O-N 3.26Å; N810-L814 VanDerWaalsContact O-N 3.1Å; L811-L814 WeakPolarHBondContact O-CB 3.3Å; L811-L814 PolarHBondContact O-N 3.21Å; L811-L814 VanDerWaalsContact O-N 3.11Å; H812-L814 VanDerWaalsContact C-N 3.32Å; H812-L814 PolarHBondContact O-N 3.17Å; L814-T816 PolarHBondContact O-N 2.98Å; L814-V817 VanDerWaalsContact O-CB 3.31Å; L814-V817 WeakPolarHBondContact O-CB 3.29Å; L814-V817 WeakPolarHBondContact O-CG2 3.32Å; L814-V817 PolarHBondContact O-N 3.44Å
815E90Very high89.8Confident107 Ų10751.6 Ų51.650%0.526%0.255SS..Hα-helixtrans-65.8-27.8176.2-72.2171.3175.100112.7V768 L811 H812 S813 V817V768-E815 HydrophobicContact CG1-CB 4.49Å; V768-E815 HydrophobicContact CG1-CG 3.79Å; L811-E815 WeakPolarHBondContact O-CG 3.27Å; L811-E815 PolarHBondContact O-N 2.87Å; H812-E815 PolarHBondContact O-N 2.79Å; S813-E815 PolarHBondContact O-N 3.2Å; E815-V817 VanDerWaalsContact C-N 3.28Å; E815-V817 PolarHBondContact O-N 2.7Å
816T90.5Very high89.7Confident15 Ų1546.7 Ų46.79%0.09222%0.223CC..THydrogen-bonded Turntrans-80.2-6.8176.5700000113.8H812 S813 L814 R818 M828H812-T816 WeakPolarHBondContact O-CG2 3.4Å; H812-T816 PolarHBondContact O-N 3.02Å; S813-T816 PolarHBondContact O-N 3.35Å; S813-T816 PolarHBondContact O-OG1 2.83Å; L814-T816 PolarHBondContact O-N 2.98Å; T816-R818 PolarHBondContact O-N 2.82Å; T816-M828 HydrophobicContact CG2-CB 4.02Å; T816-M828 HydrophobicContact CG2-CG 3.88Å; T816-M828 PolarHBondContact OG1-N 2.75Å
817V94.2Very high89.8Confident0 Ų042 Ų420%021%0.205CC..  trans-62.1127.4-178.2176.90000110.1L807 L814 E815 F819 V826 Y827L807-V817 HydrophobicContact CD1-CG2 4.19Å; L814-V817 VanDerWaalsContact O-CB 3.31Å; L814-V817 WeakPolarHBondContact O-CB 3.29Å; L814-V817 WeakPolarHBondContact O-CG2 3.32Å; L814-V817 PolarHBondContact O-N 3.44Å; E815-V817 VanDerWaalsContact C-N 3.28Å; E815-V817 PolarHBondContact O-N 2.7Å; V817-F819 HydrophobicContact CG1-CD1 4.48Å; V817-F819 HydrophobicContact CG1-CD2 4.26Å; V817-F819 HydrophobicContact CG1-CE1 3.94Å; V817-F819 HydrophobicContact CG1-CE2 3.72Å; V817-F819 HydrophobicContact CG1-CZ 3.53Å; V817-V826 CarbonylContact C-O 3.55Å; V817-V826 WeakPolarHBondContact CA-O 3.27Å; V817-Y827 HydrophobicContact CG2-CG 4.44Å
818R95.1Very high89.6Confident75 Ų7541.8 Ų41.828%0.28320%0.203SC..EExtended strand (participates in β ladder)trans-125.8118.8172.8-57.8-59168.4115.82.3110C299 Y301 T816 A825 V826C299-R818 PolarHBondContact O-NH1 2.83Å; C299-R818 PolarHBondContact O-NH2 2.99Å; C299-R818 VanDerWaalsContact O-NH2 3.13Å; Y301-R818 HydrophobicContact CD1-CB 4.5Å; T816-R818 PolarHBondContact O-N 2.82Å; R818-A825 VanDerWaalsContact O-CA 3.3Å; R818-A825 WeakPolarHBondContact O-CA 3.3Å; R818-V826 PolarHBondContact N-O 2.86Å; R818-V826 PolarHBondContact O-N 3.41Å
819F95Very high89.5Confident20 Ų2041.8 Ų41.89%0.08820%0.204CC..EExtended strand (participates in β ladder)trans-86.2127.3176.3-60-76.9000110.3Q769 V773 V782 C784 L790 V817 A825 F839Q769-F819 HydrophobicContact CB-CE2 4.27Å; Q769-F819 HydrophobicContact CG-CD2 4.12Å; Q769-F819 HydrophobicContact CG-CE2 3.87Å; V773-F819 HydrophobicContact CG1-CB 3.88Å; V782-F819 HydrophobicContact CB-CD1 4.06Å; V782-F819 HydrophobicContact CB-CE1 4.35Å; V782-F819 HydrophobicContact CB-CG 4.2Å; V782-F819 HydrophobicContact CG2-CB 3.56Å; V782-F819 HydrophobicContact CG2-CD1 3.75Å; V782-F819 HydrophobicContact CG2-CD2 3.85Å; V782-F819 HydrophobicContact CG2-CE1 4.44Å; V782-F819 HydrophobicContact CG2-CG 3.43Å; V782-F819 VanDerWaalsContact CG2-CG 3.43Å; C784-F819 HydrophobicContact CB-CZ 4.36Å; L790-F819 HydrophobicContact CD1-CE1 3.55Å; L790-F819 HydrophobicContact CD1-CZ 3.98Å; V817-F819 HydrophobicContact CG1-CD1 4.48Å; V817-F819 HydrophobicContact CG1-CD2 4.26Å; V817-F819 HydrophobicContact CG1-CE1 3.94Å; V817-F819 HydrophobicContact CG1-CE2 3.72Å; V817-F819 HydrophobicContact CG1-CZ 3.53Å; F819-A825 HydrophobicContact CD1-CB 3.72Å; F819-A825 HydrophobicContact CE1-CB 4.19Å; F819-F839 HydrophobicContact CD1-CE1 4.15Å
820G91.4Very high89.3Confident2 Ų235.1 Ų35.12%0.02118%0.176CC..PPolyproline II helixtrans-92.2168.5170.100000112.1A824G820-A824 WeakPolarHBondContact CA-O 3.28Å; G820-A824 PolarHBondContact N-O 3.48Å
821H89.5Confident88.7Confident65 Ų6534.4 Ų34.430%0.30118%0.176SC..G310 helixtrans-69.5164.2165.2-57.6-89.4000109.9S303 T774 G823S303-H821 WeakPolarHBondContact OG-CB 3.38Å; S303-H821 PolarHBondContact OG-N 3.4Å; S303-H821 PolarHBondContact OG-O 3.06Å; T774-H821 PolarHBondContact N-ND1 3.44Å; T774-H821 VanDerWaalsContact N-ND1 3.19Å; T774-H821 WeakPolarHBondContact O-CA 3.11Å; T774-H821 PolarHBondContact OG1-ND1 2.87Å; H821-G823 PolarHBondContact O-N 3.42Å; H821-G823 VanDerWaalsContact O-N 3.15Å
822Q86.4Confident88.2Confident56 Ų5632.2 Ų32.226%0.26217%0.167SC..G310 helixtrans63.712.2179.1-50.4-58.5-7.900116.9T774 F775 N776T774-Q822 PolarHBondContact O-N 3.04Å; F775-Q822 WeakPolarHBondContact CE2-O 3.46Å; N776-Q822 VanDerWaalsContact N-OE1 3.07Å
823G88Confident87.8Confident0 Ų033 Ų330%017%0.17CC..G310 helixtrans9323.2167.200000115.2H821 A838 F839 S840H821-G823 PolarHBondContact O-N 3.42Å; H821-G823 VanDerWaalsContact O-N 3.15Å; G823-A838 WeakPolarHBondContact O-CA 3.3Å; G823-F839 VanDerWaalsContact CA-CZ 3.44Å; G823-F839 WeakPolarHBondContact O-CD1 3.23Å; G823-F839 PolarHBondContact O-N 3.34Å; G823-S840 PolarHBondContact O-N 2.83Å
824A89.1Confident87.7Confident1 Ų134.3 Ų34.31%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-110150.117200000111G820 F837 F843G820-A824 WeakPolarHBondContact CA-O 3.28Å; G820-A824 PolarHBondContact N-O 3.48Å; A824-F837 WeakPolarHBondContact CA-O 3.26Å; A824-F843 HydrophobicContact CB-CD1 4.35Å; A824-F843 HydrophobicContact CB-CD2 4.3Å; A824-F843 HydrophobicContact CB-CE1 4.02Å; A824-F843 HydrophobicContact CB-CE2 3.98Å; A824-F843 HydrophobicContact CB-CG 4.47Å; A824-F843 HydrophobicContact CB-CZ 3.84Å
825A92.8Very high87.6Confident0 Ų037.1 Ų37.10%019%0.191CC..EExtended strand (participates in β ladder)trans-146.3158.6173.400000110.4R818 F819 K836 F837 F839R818-A825 VanDerWaalsContact O-CA 3.3Å; R818-A825 WeakPolarHBondContact O-CA 3.3Å; F819-A825 HydrophobicContact CD1-CB 3.72Å; F819-A825 HydrophobicContact CE1-CB 4.19Å; A825-K836 WeakPolarHBondContact O-CA 3.48Å; A825-F837 HydrophobicContact CB-CD1 4.29Å; A825-F837 HydrophobicContact CB-CD2 4.47Å; A825-F837 HydrophobicContact CB-CE1 3.63Å; A825-F837 HydrophobicContact CB-CE2 3.84Å; A825-F837 HydrophobicContact CB-CZ 3.39Å; A825-F837 PolarHBondContact N-O 2.87Å; A825-F837 WeakPolarHBondContact O-CD1 3.29Å; A825-F837 PolarHBondContact O-N 2.83Å; A825-F839 HydrophobicContact CB-CD1 4.26Å; A825-F839 HydrophobicContact CB-CE1 4.07Å
826V92.6Very high87.5Confident3 Ų335 Ų352%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-135145.7-177.5-1700000109.8Y301 M348 F362 V817 R818 L834 L835 K836Y301-V826 HydrophobicContact CD1-CG2 4.09Å; Y301-V826 HydrophobicContact CD2-CG2 4.22Å; Y301-V826 HydrophobicContact CE1-CG2 3.98Å; Y301-V826 HydrophobicContact CE2-CG2 4.14Å; Y301-V826 HydrophobicContact CG-CG2 4.21Å; M348-V826 HydrophobicContact CE-CB 3.75Å; M348-V826 HydrophobicContact CE-CG1 3.51Å; M348-V826 HydrophobicContact CE-CG2 3.73Å; F362-V826 HydrophobicContact CD1-CG2 4.34Å; F362-V826 HydrophobicContact CE1-CG1 4.24Å; F362-V826 HydrophobicContact CE1-CG2 3.52Å; F362-V826 HydrophobicContact CZ-CG1 4.15Å; F362-V826 HydrophobicContact CZ-CG2 4.24Å; V817-V826 CarbonylContact C-O 3.55Å; V817-V826 WeakPolarHBondContact CA-O 3.27Å; R818-V826 PolarHBondContact N-O 2.86Å; R818-V826 PolarHBondContact O-N 3.41Å; V826-L834 HydrophobicContact CG1-CB 4.49Å; V826-L834 HydrophobicContact CG1-CD2 3.63Å; V826-L835 WeakPolarHBondContact CA-O 3.42Å; V826-L835 WeakPolarHBondContact CG1-O 3.19Å; V826-K836 HydrophobicContact CG2-CB 4.26Å; V826-K836 HydrophobicContact CG2-CG 4.13Å
827Y92Very high87.4Confident20 Ų2034.7 Ų34.78%0.07818%0.178CC..EExtended strand (participates in β ladder)trans-148.3163.9169.772.7-80.9000110.9L807 P808 V817 C829 L835 F837L807-Y827 HydrophobicContact CD2-CD1 3.95Å; L807-Y827 HydrophobicContact CD2-CE1 3.75Å; P808-Y827 HydrophobicContact CG-CE2 4.08Å; V817-Y827 HydrophobicContact CG2-CG 4.44Å; Y827-C829 HydrophobicContact CE2-CB 3.83Å; Y827-L835 HydrophobicContact CD1-CB 4.31Å; Y827-L835 HydrophobicContact CD1-CD2 4.39Å; Y827-L835 HydrophobicContact CE1-CB 3.88Å; Y827-L835 HydrophobicContact CE1-CD2 3.59Å; Y827-L835 HydrophobicContact CE1-CG 4.17Å; Y827-L835 PolarHBondContact N-O 2.83Å; Y827-L835 PolarHBondContact O-N 2.81Å; Y827-F837 AromaticContact CD1-CD1 3.84Å; Y827-F837 HydrophobicContact CD1-CD1 3.84Å; Y827-F837 AromaticContact CD1-CE1 3.69Å; Y827-F837 HydrophobicContact CD1-CE1 3.69Å; Y827-F837 AromaticContact CE1-CD1 3.9Å; Y827-F837 HydrophobicContact CE1-CD1 3.9Å; Y827-F837 HydrophobicContact CE1-CE1 4.06Å
828M88Confident87.1Confident6 Ų636.3 Ų36.33%0.0319%0.192CC..EExtended strand (participates in β ladder)trans-87.2112.5173.3-58.8-69.3-56.100109.4I291 V296 S813 T816 S830 P831 E833 L834I291-M828 HydrophobicContact CD1-CE 3.82Å; I291-M828 HydrophobicContact CD1-SD 4.37Å; V296-M828 HydrophobicContact CB-CE 4Å; V296-M828 HydrophobicContact CB-SD 4.41Å; V296-M828 HydrophobicContact CG1-SD 4.29Å; V296-M828 HydrophobicContact CG2-CE 3.84Å; V296-M828 HydrophobicContact CG2-SD 4.43Å; S813-M828 WeakPolarHBondContact CB-O 3.15Å; S813-M828 PolarHBondContact OG-O 2.82Å; S813-M828 VanDerWaalsContact OG-O 3.04Å; T816-M828 HydrophobicContact CG2-CB 4.02Å; T816-M828 HydrophobicContact CG2-CG 3.88Å; T816-M828 PolarHBondContact OG1-N 2.75Å; M828-S830 WeakPolarHBondContact CE-O 3.35Å; M828-P831 WeakPolarHBondContact CE-O 3.4Å; M828-E833 CarbonylContact C-O 3.58Å; M828-E833 WeakPolarHBondContact CA-O 3.47Å; M828-L834 HydrophobicContact CE-CG 4.43Å; M828-L834 HydrophobicContact CG-CD2 4.26Å; M828-L834 HydrophobicContact SD-CD1 4.46Å; M828-L834 HydrophobicContact SD-CD2 3.21Å; M828-L834 WeakPolarHBondContact SD-CD2 3.42Å; M828-L834 HydrophobicContact SD-CG 3.51Å; M828-L834 VanDerWaalsContact SD-CG 3.51Å
829C85.5Confident86.8Confident50 Ų5034.8 Ų34.834%0.33819%0.187SC..EExtended strand (participates in β ladder)trans-81.4-21.6173.554.40000112.3Y827 E833Y827-C829 HydrophobicContact CE2-CB 3.83Å; C829-E833 PolarHBondContact N-O 3.38Å; C829-E833 WeakPolarHBondContact SG-CB 3.41Å
830S80Confident86.4Confident31 Ų3134.4 Ų34.422%0.21719%0.187CC..EExtended strand (participates in β ladder)trans-143.2171167.487.70000109.1M828 T832 E833M828-S830 WeakPolarHBondContact CE-O 3.35Å; S830-T832 PolarHBondContact O-N 3.05Å; S830-T832 VanDerWaalsContact O-N 3.07Å; S830-T832 PolarHBondContact OG-N 2.83Å; S830-T832 VanDerWaalsContact OG-N 3.14Å; S830-T832 PolarHBondContact OG-OG1 3.13Å; S830-E833 PolarHBondContact O-N 2.62Å; S830-E833 VanDerWaalsContact OG-CB 3.31Å; S830-E833 WeakPolarHBondContact OG-CB 3.49Å; S830-E833 WeakPolarHBondContact OG-CG 3.36Å; S830-E833 PolarHBondContact OG-N 3.46Å
831P73.5Confident86Confident69 Ų6939 Ų3945%0.44822%0.219SC..THydrogen-bonded Turntrans-57.7-19174-26.236.2000115.1M828M828-P831 WeakPolarHBondContact CE-O 3.4Å
832T74.4Confident85.5Confident50 Ų5040.4 Ų40.431%0.30723%0.225SC..THydrogen-bonded Turntrans-121-0.1-176.356.90000113.8I291 S830I291-T832 WeakPolarHBondContact CD1-O 3.42Å; I291-T832 VanDerWaalsContact CG1-O 3.24Å; I291-T832 WeakPolarHBondContact CG1-O 3.4Å; S830-T832 PolarHBondContact O-N 3.05Å; S830-T832 VanDerWaalsContact O-N 3.07Å; S830-T832 PolarHBondContact OG-N 2.83Å; S830-T832 VanDerWaalsContact OG-N 3.14Å; S830-T832 PolarHBondContact OG-OG1 3.13Å
833E78.8Confident85Confident114 Ų11439 Ų3953%0.53322%0.218SC..EExtended strand (participates in β ladder)trans-124128-177.7-65.3178.8171.600112.3M828 C829 S830M828-E833 CarbonylContact C-O 3.58Å; M828-E833 WeakPolarHBondContact CA-O 3.47Å; C829-E833 PolarHBondContact N-O 3.38Å; C829-E833 WeakPolarHBondContact SG-CB 3.41Å; S830-E833 PolarHBondContact O-N 2.62Å; S830-E833 VanDerWaalsContact OG-CB 3.31Å; S830-E833 WeakPolarHBondContact OG-CB 3.49Å; S830-E833 WeakPolarHBondContact OG-CG 3.36Å; S830-E833 PolarHBondContact OG-N 3.46Å
834L84.7Confident84.4Confident36 Ų3640.8 Ų40.819%0.18823%0.233CC..EExtended strand (participates in β ladder)trans-101.6132.6173.3-81.4161.9000110.1I291 M348 L367 V826 M828I291-L834 HydrophobicContact CD1-CB 4.14Å; I291-L834 HydrophobicContact CD1-CD1 3.6Å; I291-L834 HydrophobicContact CD1-CG 3.54Å; I291-L834 HydrophobicContact CG1-CD1 4.44Å; M348-L834 HydrophobicContact CE-CD2 4.43Å; M348-L834 HydrophobicContact CG-CD1 4.33Å; L367-L834 HydrophobicContact CD2-CD1 4.41Å; V826-L834 HydrophobicContact CG1-CB 4.49Å; V826-L834 HydrophobicContact CG1-CD2 3.63Å; M828-L834 HydrophobicContact CE-CG 4.43Å; M828-L834 HydrophobicContact CG-CD2 4.26Å; M828-L834 HydrophobicContact SD-CD1 4.46Å; M828-L834 HydrophobicContact SD-CD2 3.21Å; M828-L834 WeakPolarHBondContact SD-CD2 3.42Å; M828-L834 HydrophobicContact SD-CG 3.51Å; M828-L834 VanDerWaalsContact SD-CG 3.51Å
835L88.7Confident83.8Confident59 Ų5947.5 Ų47.531%0.30927%0.266SS..EExtended strand (participates in β ladder)trans-114.1119.8171.3-165.6150.3000110.3V826 Y827 F837V826-L835 WeakPolarHBondContact CA-O 3.42Å; V826-L835 WeakPolarHBondContact CG1-O 3.19Å; Y827-L835 HydrophobicContact CD1-CB 4.31Å; Y827-L835 HydrophobicContact CD1-CD2 4.39Å; Y827-L835 HydrophobicContact CE1-CB 3.88Å; Y827-L835 HydrophobicContact CE1-CD2 3.59Å; Y827-L835 HydrophobicContact CE1-CG 4.17Å; Y827-L835 PolarHBondContact N-O 2.83Å; Y827-L835 PolarHBondContact O-N 2.81Å; L835-F837 HydrophobicContact CD2-CB 3.93Å; L835-F837 HydrophobicContact CD2-CD1 4.2Å
836K87.9Confident82.7Confident64 Ų6451.3 Ų51.328%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-94.5130.5169.6-175-178-172.2171.40109.5E346 F362 A825 V826E346-K836 IonicContact OE1-NZ 2.68Å; E346-K836 PolarHBondContact OE1-NZ 3.43Å; E346-K836 VanDerWaalsContact OE2-CE 3.32Å; E346-K836 WeakPolarHBondContact OE2-CE 3.48Å; E346-K836 IonicContact OE2-NZ 2.74Å; E346-K836 PolarHBondContact OE2-NZ 2.81Å; F362-K836 HydrophobicContact CD1-CD 4.19Å; F362-K836 HydrophobicContact CE1-CB 3.82Å; F362-K836 HydrophobicContact CE1-CD 3.58Å; F362-K836 HydrophobicContact CE1-CG 3.9Å; F362-K836 HydrophobicContact CZ-CB 3.88Å; F362-K836 HydrophobicContact CZ-CD 4.26Å; F362-K836 HydrophobicContact CZ-CG 4.46Å; A825-K836 WeakPolarHBondContact O-CA 3.48Å; V826-K836 HydrophobicContact CG2-CB 4.26Å; V826-K836 HydrophobicContact CG2-CG 4.13Å
837F88.7Confident81.5Confident8 Ų853 Ų534%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-133.4152.8175.968.9-86.4000111.8L790 Y806 L807 A824 A825 Y827 L835 F839L790-F837 HydrophobicContact CD2-CE2 3.67Å; L790-F837 HydrophobicContact CD2-CZ 4.42Å; Y806-F837 HydrophobicContact CD1-CD2 4.16Å; Y806-F837 HydrophobicContact CD1-CE2 4.26Å; Y806-F837 HydrophobicContact CE1-CB 3.93Å; Y806-F837 HydrophobicContact CE1-CD1 4.31Å; Y806-F837 AromaticContact CE1-CD2 3.57Å; Y806-F837 HydrophobicContact CE1-CD2 3.57Å; Y806-F837 HydrophobicContact CE1-CE2 4.1Å; Y806-F837 AromaticContact CE1-CG 3.68Å; Y806-F837 HydrophobicContact CE1-CG 3.68Å; L807-F837 HydrophobicContact CD2-CE1 3.96Å; L807-F837 HydrophobicContact CD2-CZ 4.08Å; A824-F837 WeakPolarHBondContact CA-O 3.26Å; A825-F837 HydrophobicContact CB-CD1 4.29Å; A825-F837 HydrophobicContact CB-CD2 4.47Å; A825-F837 HydrophobicContact CB-CE1 3.63Å; A825-F837 HydrophobicContact CB-CE2 3.84Å; A825-F837 HydrophobicContact CB-CZ 3.39Å; A825-F837 PolarHBondContact N-O 2.87Å; A825-F837 WeakPolarHBondContact O-CD1 3.29Å; A825-F837 PolarHBondContact O-N 2.83Å; Y827-F837 AromaticContact CD1-CD1 3.84Å; Y827-F837 HydrophobicContact CD1-CD1 3.84Å; Y827-F837 AromaticContact CD1-CE1 3.69Å; Y827-F837 HydrophobicContact CD1-CE1 3.69Å; Y827-F837 AromaticContact CE1-CD1 3.9Å; Y827-F837 HydrophobicContact CE1-CD1 3.9Å; Y827-F837 HydrophobicContact CE1-CE1 4.06Å; L835-F837 HydrophobicContact CD2-CB 3.93Å; L835-F837 HydrophobicContact CD2-CD1 4.2Å; F837-F839 HydrophobicContact CE2-CD1 4.28Å
838A87.9Confident80.3Confident34 Ų3459.4 Ų59.428%0.28132%0.324SS..EExtended strand (participates in β ladder)trans-102.3134.9175.600000109.4G823 F843 A844G823-A838 WeakPolarHBondContact O-CA 3.3Å; A838-F843 HydrophobicContact CB-CB 4.34Å; A838-F843 HydrophobicContact CB-CD1 3.55Å; A838-F843 HydrophobicContact CB-CE1 4.35Å; A838-F843 HydrophobicContact CB-CG 4.36Å; A838-A844 HydrophobicContact CB-CB 4.14Å
839F88.5Confident79.2Confident43 Ų4364.2 Ų64.219%0.18935%0.35CS..  trans-112.57.9167.861.5-92.1000112.1V782 L790 L802 F819 G823 A825 F837V782-F839 HydrophobicContact CG1-CE2 3.79Å; V782-F839 HydrophobicContact CG1-CZ 3.93Å; L790-F839 HydrophobicContact CD2-CB 3.96Å; L802-F839 HydrophobicContact CD2-CB 3.99Å; F819-F839 HydrophobicContact CD1-CE1 4.15Å; G823-F839 VanDerWaalsContact CA-CZ 3.44Å; G823-F839 WeakPolarHBondContact O-CD1 3.23Å; G823-F839 PolarHBondContact O-N 3.34Å; A825-F839 HydrophobicContact CB-CD1 4.26Å; A825-F839 HydrophobicContact CB-CE1 4.07Å; F837-F839 HydrophobicContact CE2-CD1 4.28Å
840S86.4Confident78.3Confident12 Ų1263 Ų638%0.08434%0.34CS..SBendtrans-111.5138169.8169.90000111F775 G823 H842 A844F775-S840 WeakPolarHBondContact CE2-OG 3.29Å; F775-S840 WeakPolarHBondContact CZ-OG 3.2Å; G823-S840 PolarHBondContact O-N 2.83Å; S840-H842 VanDerWaalsContact C-N 3.3Å; S840-H842 PolarHBondContact O-N 3.25Å; S840-H842 PolarHBondContact OG-N 3.44Å; S840-A844 WeakPolarHBondContact O-CB 3.49Å; S840-A844 PolarHBondContact O-N 2.9Å
841S81.7Confident77.9Confident98 Ų9867.4 Ų67.469%0.68536%0.36SS*.Hα-helixtrans-64.8-33.1173.655.10000112.8A844 M845S841-A844 PolarHBondContact O-N 2.87Å; S841-M845 WeakPolarHBondContact O-CG 3.49Å; S841-M845 PolarHBondContact O-N 3.11Å
842H79.4Confident77.8Confident95 Ų9566.2 Ų66.244%0.4436%0.36SS..Hα-helixtrans-63.1-54.1178.2-175-81.3000110.9F775 S840 A844 M845 E846F775-H842 HydrophobicContact CZ-CB 4.35Å; S840-H842 VanDerWaalsContact C-N 3.3Å; S840-H842 PolarHBondContact O-N 3.25Å; S840-H842 PolarHBondContact OG-N 3.44Å; H842-A844 VanDerWaalsContact C-N 3.29Å; H842-A844 PolarHBondContact O-N 3.23Å; H842-M845 PolarHBondContact O-N 2.89Å; H842-M845 VanDerWaalsContact O-N 3.15Å; H842-E846 IonicContact CE1-OE1 3.17Å; H842-E846 PolarHBondContact CE1-OE1 3.49Å; H842-E846 IonicContact CE1-OE2 2.7Å; H842-E846 PolarHBondContact CE1-OE2 2.94Å; H842-E846 IonicContact ND1-OE1 2.87Å; H842-E846 IonicContact ND1-OE2 2.77Å; H842-E846 PolarHBondContact ND1-OE2 3.34Å; H842-E846 PolarHBondContact O-N 2.87Å
843F75.9Confident77.7Confident26 Ų2666.4 Ų66.411%0.11436%0.364CS..Hα-helixtrans-62.3-38.8178.5-169.1-82000111.5A824 A838 M845 E846 S847A824-F843 HydrophobicContact CB-CD1 4.35Å; A824-F843 HydrophobicContact CB-CD2 4.3Å; A824-F843 HydrophobicContact CB-CE1 4.02Å; A824-F843 HydrophobicContact CB-CE2 3.98Å; A824-F843 HydrophobicContact CB-CG 4.47Å; A824-F843 HydrophobicContact CB-CZ 3.84Å; A838-F843 HydrophobicContact CB-CB 4.34Å; A838-F843 HydrophobicContact CB-CD1 3.55Å; A838-F843 HydrophobicContact CB-CE1 4.35Å; A838-F843 HydrophobicContact CB-CG 4.36Å; F843-M845 VanDerWaalsContact C-N 3.3Å; F843-M845 PolarHBondContact O-N 3.46Å; F843-E846 PolarHBondContact O-N 2.85Å; F843-S847 WeakPolarHBondContact O-CB 3.34Å; F843-S847 PolarHBondContact O-N 2.94Å; F843-S847 PolarHBondContact O-OG 3.36Å
844A76.8Confident77.5Confident38 Ų3867.8 Ų67.831%0.31437%0.373SS..Hα-helixtrans-62-35.5176.600000112.8A838 S840 S841 H842 S847A838-A844 HydrophobicContact CB-CB 4.14Å; S840-A844 WeakPolarHBondContact O-CB 3.49Å; S840-A844 PolarHBondContact O-N 2.9Å; S841-A844 PolarHBondContact O-N 2.87Å; H842-A844 VanDerWaalsContact C-N 3.29Å; H842-A844 PolarHBondContact O-N 3.23Å; A844-S847 PolarHBondContact O-OG 3.25Å
845M75.2Confident76.8Confident141 Ų14174.8 Ų74.870%0.69540%0.398SS*.Hα-helixtrans-68.9-46.6175.4-73.9-178.16500112S841 H842 F843 S847 K848S841-M845 WeakPolarHBondContact O-CG 3.49Å; S841-M845 PolarHBondContact O-N 3.11Å; H842-M845 PolarHBondContact O-N 2.89Å; H842-M845 VanDerWaalsContact O-N 3.15Å; F843-M845 VanDerWaalsContact C-N 3.3Å; F843-M845 PolarHBondContact O-N 3.46Å; M845-S847 VanDerWaalsContact C-N 3.25Å; M845-S847 PolarHBondContact O-N 2.96Å; M845-K848 PolarHBondContact O-N 3.15Å
846E70Confident76Confident80 Ų8076 Ų7637%0.37440%0.404SS..Hα-helixtrans-61-35.6176.8-69.7175.6145.600111.7H842 F843 K848 D849H842-E846 IonicContact CE1-OE1 3.17Å; H842-E846 PolarHBondContact CE1-OE1 3.49Å; H842-E846 IonicContact CE1-OE2 2.7Å; H842-E846 PolarHBondContact CE1-OE2 2.94Å; H842-E846 IonicContact ND1-OE1 2.87Å; H842-E846 IonicContact ND1-OE2 2.77Å; H842-E846 PolarHBondContact ND1-OE2 3.34Å; H842-E846 PolarHBondContact O-N 2.87Å; F843-E846 PolarHBondContact O-N 2.85Å; E846-K848 VanDerWaalsContact C-N 3.26Å; E846-K848 PolarHBondContact O-N 3.27Å; E846-D849 PolarHBondContact O-N 3.05Å
847S67Low75.2Confident39 Ų3979.1 Ų79.127%0.27343%0.432SS..Hα-helixtrans-66.2-20.4-178.572.30000115.4F843 A844 M845 D849 I850F843-S847 WeakPolarHBondContact O-CB 3.34Å; F843-S847 PolarHBondContact O-N 2.94Å; F843-S847 PolarHBondContact O-OG 3.36Å; A844-S847 PolarHBondContact O-OG 3.25Å; M845-S847 VanDerWaalsContact C-N 3.25Å; M845-S847 PolarHBondContact O-N 2.96Å; S847-D849 VanDerWaalsContact C-N 3.31Å; S847-D849 PolarHBondContact O-N 3.08Å; S847-I850 WeakPolarHBondContact O-CB 3.35Å; S847-I850 PolarHBondContact O-N 2.91Å
848K67.5Low74.3Confident154 Ų15484 Ų8467%0.6747%0.465SS*.Hα-helixtrans-67.8-34178.7-73.8-174.1177.7-178.40112.5M845 E846 I850 L851M845-K848 PolarHBondContact O-N 3.15Å; E846-K848 VanDerWaalsContact C-N 3.26Å; E846-K848 PolarHBondContact O-N 3.27Å; K848-I850 PolarHBondContact O-N 2.88Å; K848-L851 PolarHBondContact O-N 2.89Å
849D64.2Low73.5Confident107 Ų10788.9 Ų88.957%0.57249%0.492SS*.THydrogen-bonded Turntrans-77.6-9179.1-65.3-23000112G338 S340 E846 S847G338-D849 CarbonylContact C-O 3.58Å; G338-D849 WeakPolarHBondContact CA-O 3.08Å; S340-D849 WeakPolarHBondContact OG-CB 3.49Å; S340-D849 PolarHBondContact OG-O 2.85Å; E846-D849 PolarHBondContact O-N 3.05Å; S847-D849 VanDerWaalsContact C-N 3.31Å; S847-D849 PolarHBondContact O-N 3.08Å
850I66.5Low72.6Confident25 Ų2590.6 Ų90.613%0.12851%0.506CS..THydrogen-bonded Turntrans-86.8-29.5179.2-57.4176.7000110.1G338 S340 V365 S847 K848 G852G338-I850 PolarHBondContact N-O 3.35Å; S340-I850 WeakPolarHBondContact OG-CG1 3.34Å; S340-I850 PolarHBondContact OG-N 3.05Å; V365-I850 HydrophobicContact CG2-CG2 3.48Å; V365-I850 VanDerWaalsContact CG2-CG2 3.48Å; V365-I850 WeakPolarHBondContact CG2-O 3.25Å; S847-I850 WeakPolarHBondContact O-CB 3.35Å; S847-I850 PolarHBondContact O-N 2.91Å; K848-I850 PolarHBondContact O-N 2.88Å; I850-G852 PolarHBondContact O-N 2.94Å
851L71.9Confident71.8Confident124 Ų12492.8 Ų92.865%0.64952%0.52SS*.  trans-65.5121.6179.6-64.6174.5000110.9K848K848-L851 PolarHBondContact O-N 2.89Å
852G71.2Confident71Confident43 Ų4395.6 Ų95.644%0.44352%0.522SS..  trans-85.6-179.3177.300000114.5V336 I850V336-G852 CarbonylContact O-C 3.57Å; V336-G852 WeakPolarHBondContact O-CA 3.24Å; I850-G852 PolarHBondContact O-N 2.94Å
853S73.4Confident70.3Confident55 Ų5594.5 Ų94.539%0.38552%0.523SS..BIsolated β-bridgetrans-104.9140.1166.81730000109.8G335 V336 Y855G335-S853 CarbonylContact C-O 3.57Å; G335-S853 WeakPolarHBondContact CA-O 3.1Å; V336-S853 PolarHBondContact N-O 3.22Å; V336-S853 PolarHBondContact O-N 2.81Å; S853-Y855 PolarHBondContact O-N 3.35Å; S853-Y855 PolarHBondContact OG-N 2.57Å; S853-Y855 PolarHBondContact OG-O 3.46Å
854I73.4Confident69.5Low142 Ų14296.2 Ų96.273%0.72854%0.537SS*.SBendtrans-73.8-20.6172.1-56.5170.9000110.9G335G335-I854 VanDerWaalsContact CA-O 3.32Å; G335-I854 WeakPolarHBondContact CA-O 3.08Å; G335-I854 PolarHBondContact N-O 3.38Å
855Y70.9Confident68.4Low183 Ų18399.9 Ų99.972%0.71855%0.546SS*.  trans-106.3135.6-177.3-54.7-79.8000111.6S853S853-Y855 PolarHBondContact O-N 3.35Å; S853-Y855 PolarHBondContact OG-N 2.57Å; S853-Y855 PolarHBondContact OG-O 3.46Å
856L71.4Confident67.1Low84 Ų8498.1 Ų98.144%0.4454%0.536SS..  trans-99.9118.9166.5-88.4153.8000108.4T333 G335 V336 C858T333-L856 WeakPolarHBondContact O-CD1 3.27Å; G335-L856 WeakPolarHBondContact O-CD1 3.42Å; V336-L856 HydrophobicContact CG1-CD2 3.34Å; V336-L856 HydrophobicContact CG1-CG 4Å; L856-C858 PolarHBondContact O-N 2.9Å
857P70.9Confident65.9Low131 Ų13199.6 Ų99.685%0.85155%0.546SS*.  trans-61119.3167.4-18.831.4000109.2
858C69.6Low65.1Low109 Ų109104.9 Ų104.974%0.73656%0.564SS**  trans-117144.1173.860.30000109.9L856 T860L856-C858 PolarHBondContact O-N 2.9Å; C858-T860 PolarHBondContact O-N 2.62Å
859V72.1Confident63.8Low138 Ų138102.7 Ų102.784%0.83656%0.555SS**PPolyproline II helixtrans-66.5126.1171-179.40000107.9P861V859-P861 WeakPolarHBondContact O-CD 3.26Å
860T70Confident62.8Low79 Ų79102.3 Ų102.349%0.48555%0.548SS..PPolyproline II helixtrans-58.7117.7173.6-50.40000108.6F15 Q16 C858 Q862F15-T860 HydrophobicContact CE1-CG2 3.9Å; F15-T860 HydrophobicContact CE2-CG2 4.19Å; F15-T860 HydrophobicContact CZ-CG2 3.37Å; Q16-T860 HydrophobicContact CG-CG2 4.1Å; C858-T860 PolarHBondContact O-N 2.62Å; T860-Q862 PolarHBondContact O-N 2.87Å
861P69.2Low61.6Low58 Ų58109.3 Ų109.338%0.37758%0.581SS.*PPolyproline II helixtrans-57.9140177.321.9-33.2000110F15 P251 Y252 V859F15-P861 HydrophobicContact CE1-CG 4.45Å; F15-P861 HydrophobicContact CZ-CG 4.12Å; P251-P861 HydrophobicContact CG-CG 3.49Å; P251-P861 VanDerWaalsContact CG-CG 3.49Å; Y252-P861 HydrophobicContact CE2-CB 4.24Å; Y252-P861 HydrophobicContact CE2-CG 4.24Å; Y252-P861 PolarHBondContact OH-O 2.8Å; V859-P861 WeakPolarHBondContact O-CD 3.26Å
862Q64.8Low60.2Low156 Ų156108.9 Ų108.973%0.72958%0.579SS**PPolyproline II helixtrans-68.4150.1175.7-70.1-163.513.200110.8Y252 T860Y252-Q862 VanDerWaalsContact CE2-O 3.26Å; Y252-Q862 WeakPolarHBondContact CE2-O 3.21Å; Y252-Q862 PolarHBondContact OH-O 2.82Å; T860-Q862 PolarHBondContact O-N 2.87Å
863P65Low58.9Low72 Ų72114.4 Ų114.447%0.46859%0.591SS.*PPolyproline II helixtrans-60.9151.2174.325.7-33.6000110.1Y252 K865Y252-P863 HydrophobicContact CE1-CB 4.03Å; Y252-P863 VanDerWaalsContact OH-CA 3.28Å; Y252-P863 WeakPolarHBondContact OH-CA 3.29Å; P863-K865 PolarHBondContact O-N 2.85Å
864P57.6Low57Low62 Ų62118.8 Ų118.840%0.40361%0.61SS.*PPolyproline II helixtrans-50.7130175.815.2-27.2000110.3E255 Q866E255-P864 WeakPolarHBondContact OE1-CB 3.28Å; E255-P864 WeakPolarHBondContact OE1-CG 3.32Å; P864-Q866 PolarHBondContact O-N 3.14Å; P864-Q866 VanDerWaalsContact O-N 3.14Å
865K53.8Low55.1Low115 Ų115119.4 Ų119.450%0.561%0.613SS.*PPolyproline II helixtrans-58.1121.7-178.1-72.9-175.2-177.9174.30109.5P863 D941P863-K865 PolarHBondContact O-N 2.85Å; K865-D941 IonicContact NZ-OD2 3.43Å; K865-D941 PolarHBondContact NZ-OD2 2.95Å
866Q48.2Very low53.2Low104 Ų104115.9 Ų115.949%0.48662%0.615SS.*PPolyproline II helixtrans-76.1128.3175.7-159.2175.159.100108.8N72 P864 F868 K870N72-Q866 PolarHBondContact OD1-NE2 3.32Å; P864-Q866 PolarHBondContact O-N 3.14Å; P864-Q866 VanDerWaalsContact O-N 3.14Å; Q866-F868 PolarHBondContact O-N 2.8Å; Q866-F868 VanDerWaalsContact O-N 3.13Å; Q866-K870 VanDerWaalsContact CD-CD 3.41Å; Q866-K870 HydrophobicContact CG-CD 3.88Å
867N45.5Very low51.6Low111 Ų111116.5 Ų116.559%0.59463%0.627SS**  trans-40119.1-177.4-62.4-2.6000112.3F869 K870N867-F869 PolarHBondContact O-N 3.25Å; N867-K870 PolarHBondContact O-N 2.79Å; N867-K870 VanDerWaalsContact O-N 3.14Å
868F49.2Very low50Low150 Ų150121.3 Ų121.366%0.65863%0.628SS**G310 helixtrans-39.2-27.6-178.2173.8-101.4000115.8Q866 K870Q866-F868 PolarHBondContact O-N 2.8Å; Q866-F868 VanDerWaalsContact O-N 3.13Å; F868-K870 PolarHBondContact O-N 3.25Å; F868-K870 VanDerWaalsContact O-N 3.13Å
869F41.4Very low48.6Very low109 Ų109121.9 Ų121.948%0.47863%0.628SS.*G310 helixtrans-71.2-1.1-179.6-72.8-82.6000116N867 S930N867-F869 PolarHBondContact O-N 3.25Å; F869-S930 WeakPolarHBondContact CE2-OG 3.36Å
870K41.6Very low47.6Very low98 Ų98117.9 Ų117.943%0.42660%0.601SS.*G310 helixtrans-79-28.7176.2-102.6-173.9171.5-157.30114.9N72 Q866 N867 F868 L872 F873N72-K870 WeakPolarHBondContact OD1-CE 3.08Å; N72-K870 PolarHBondContact OD1-NZ 2.93Å; Q866-K870 VanDerWaalsContact CD-CD 3.41Å; Q866-K870 HydrophobicContact CG-CD 3.88Å; N867-K870 PolarHBondContact O-N 2.79Å; N867-K870 VanDerWaalsContact O-N 3.14Å; F868-K870 PolarHBondContact O-N 3.25Å; F868-K870 VanDerWaalsContact O-N 3.13Å; K870-L872 PolarHBondContact O-N 2.89Å; K870-F873 PolarHBondContact O-N 3.19Å
871E42.6Very low47.1Very low172 Ų172118.4 Ų118.480%0.80460%0.601SS**THydrogen-bonded Turntrans-67.4-28176.1-74.3-168.6157.900112.2
872L43.2Very low47.1Very low116 Ų116118.9 Ų118.961%0.60760%0.596SS**THydrogen-bonded Turntrans-77-18-179.5-98.8142.9000114.4K870K870-L872 PolarHBondContact O-N 2.89Å
873F44Very low47.4Very low159 Ų159116 Ų11670%0.69758%0.582SS**SBendtrans-124.170.1-179.6-64.3-75.1000110.8K870 I875K870-F873 PolarHBondContact O-N 3.19Å; F873-I875 VanDerWaalsContact C-N 3.3Å; F873-I875 PolarHBondContact O-N 2.83Å
874N33.2Very low47.6Very low146 Ų146118.1 Ų118.178%0.78159%0.586SS**  trans-67.876.6-179.2-153.2-2.5000111.9
875I33.5Very low48.3Very low155 Ų155116.1 Ų116.180%0.79557%0.572SS**  trans-98.785.1162.5-58.1177.1000107.6F873 S877F873-I875 VanDerWaalsContact C-N 3.3Å; F873-I875 PolarHBondContact O-N 2.83Å; I875-S877 VanDerWaalsContact C-N 3.32Å; I875-S877 PolarHBondContact O-N 3.02Å
876S31.2Very low49.5Very low110 Ų110110.9 Ų110.977%0.76955%0.549SS*.  trans10.663.6150.7-61.30000117.3R878S876-R878 PolarHBondContact O-N 3.4Å
877S37.7Very low50.2Low97 Ų97107.5 Ų107.568%0.67854%0.542SS*.  trans-88.196.5155.161.40000106I875 T879I875-S877 VanDerWaalsContact C-N 3.32Å; I875-S877 PolarHBondContact O-N 3.02Å; S877-T879 VanDerWaalsContact C-N 3.34Å; S877-T879 PolarHBondContact O-N 2.89Å
878R36.1Very low50.5Low232 Ų232109.6 Ų109.688%0.87555%0.553SS**  trans-57.6107.9160-71.3-174.9178-174.3-1.1105.7S876 L880S876-R878 PolarHBondContact O-N 3.4Å; R878-L880 PolarHBondContact O-N 3.27Å
879T41.7Very low50.4Low121 Ų121106.2 Ų106.274%0.74256%0.561SS**  trans-54.2112159.441.60000105.1S877 D881S877-T879 VanDerWaalsContact C-N 3.34Å; S877-T879 PolarHBondContact O-N 2.89Å; T879-D881 PolarHBondContact O-N 3.09Å
880L49.6Very low50.1Low53 Ų53108.9 Ų108.928%0.27758%0.58SS.*  trans-64122.5177.5-103.7140.8000107.5F79 K96 R878 R882F79-L880 HydrophobicContact CE1-CB 4.38Å; F79-L880 HydrophobicContact CE2-CB 4.32Å; F79-L880 HydrophobicContact CZ-CB 3.77Å; K96-L880 HydrophobicContact CD-CD1 3.66Å; K96-L880 VanDerWaalsContact CE-CD1 3.44Å; K96-L880 HydrophobicContact CG-CD1 4.16Å; R878-L880 PolarHBondContact O-N 3.27Å; L880-R882 PolarHBondContact O-N 2.62Å
881D60.7Low49.7Very low90 Ų90115.3 Ų115.348%0.48160%0.601SS.*  trans-73.2122.8-177.2-171.2-9.3000109.5T879 E883 E884 L885T879-D881 PolarHBondContact O-N 3.09Å; D881-E883 PolarHBondContact O-N 3.22Å; D881-E883 WeakPolarHBondContact OD1-CB 3.49Å; D881-E883 PolarHBondContact OD1-N 3.01Å; D881-E884 HydrophobicContact CB-CB 4.44Å; D881-E884 WeakPolarHBondContact O-CA 3.29Å; D881-E884 VanDerWaalsContact O-CB 3.3Å; D881-E884 WeakPolarHBondContact O-CB 3.43Å; D881-E884 PolarHBondContact O-N 3.22Å; D881-L885 PolarHBondContact O-N 2.91Å
882R68.7Low49.1Very low68 Ų68116.6 Ų116.626%0.25760%0.604SS.*Hα-helixtrans-60.2-25.2176.9-67.7-178.6175.6-165.2-6.9111.4S17 W19 E66 L880 E884 L885 F886S17-R882 PolarHBondContact OG-NH1 3.06Å; W19-R882 PolarHBondContact NE1-O 3.19Å; E66-R882 IonicContact OE1-CZ 3.25Å; E66-R882 IonicContact OE1-NH1 2.65Å; E66-R882 IonicContact OE1-NH2 2.61Å; E66-R882 PolarHBondContact OE1-NH2 3.07Å; E66-R882 IonicContact OE2-CZ 3.38Å; E66-R882 IonicContact OE2-NH1 2.79Å; E66-R882 IonicContact OE2-NH2 3.57Å; E66-R882 PolarHBondContact OE2-NH2 3.49Å; L880-R882 PolarHBondContact O-N 2.62Å; R882-E884 VanDerWaalsContact C-N 3.28Å; R882-E884 PolarHBondContact O-N 3.25Å; R882-L885 PolarHBondContact O-N 3.35Å; R882-F886 WeakPolarHBondContact O-CD2 3.18Å; R882-F886 PolarHBondContact O-N 3.41Å
883E71.1Confident48.7Very low96 Ų96117.7 Ų117.745%0.44961%0.61SS.*Hα-helixtrans-64.4-31.2170.9-65.2-165.3176.800112.4K18 D881 G887K18-E883 IonicContact NZ-OE1 2.75Å; K18-E883 PolarHBondContact NZ-OE1 3.15Å; D881-E883 PolarHBondContact O-N 3.22Å; D881-E883 WeakPolarHBondContact OD1-CB 3.49Å; D881-E883 PolarHBondContact OD1-N 3.01Å; E883-G887 WeakPolarHBondContact O-CA 3.28Å; E883-G887 PolarHBondContact O-N 3.46Å
884E69.9Low47.9Very low117 Ų117115.3 Ų115.355%0.54761%0.611SS.*Hα-helixtrans-71.9-32.4175.4-164.3176.9-168.600111.9D881 R882D881-E884 HydrophobicContact CB-CB 4.44Å; D881-E884 WeakPolarHBondContact O-CA 3.29Å; D881-E884 VanDerWaalsContact O-CB 3.3Å; D881-E884 WeakPolarHBondContact O-CB 3.43Å; D881-E884 PolarHBondContact O-N 3.22Å; R882-E884 VanDerWaalsContact C-N 3.28Å; R882-E884 PolarHBondContact O-N 3.25Å
885L70.8Confident47.8Very low20 Ų20118 Ų11811%0.10562%0.615CS.*Hα-helixtrans-72.3-39.1178.9-71.4173000113.1F79 R98 D881 R882F79-L885 HydrophobicContact CD1-CD1 3.94Å; F79-L885 HydrophobicContact CE1-CD1 4Å; R98-L885 PolarHBondContact NH2-O 3.17Å; D881-L885 PolarHBondContact O-N 2.91Å; R882-L885 PolarHBondContact O-N 3.35Å
886F79.9Confident47.5Very low5 Ų5117.7 Ų117.72%0.02262%0.615CS.*Hα-helixtrans-122.1-12.8-168.3-54.9-53.9000115.6W19 Y21 V31 S40 Y42 L95 R882W19-F886 HydrophobicContact CB-CD2 4.14Å; W19-F886 HydrophobicContact CB-CE2 4.35Å; W19-F886 AromaticContact CD1-CD2 3.73Å; W19-F886 HydrophobicContact CD2-CB 3.71Å; W19-F886 AromaticContact CD2-CD2 3.68Å; W19-F886 HydrophobicContact CD2-CD2 3.68Å; W19-F886 HydrophobicContact CD2-CG 4.07Å; W19-F886 AromaticContact CE2-CD2 3.89Å; W19-F886 HydrophobicContact CE3-CB 3.73Å; W19-F886 HydrophobicContact CE3-CD2 4.32Å; W19-F886 HydrophobicContact CE3-CG 4.29Å; W19-F886 AromaticContact CG-CD2 3.58Å; W19-F886 HydrophobicContact CG-CD2 3.58Å; W19-F886 HydrophobicContact CG-CE2 4.21Å; W19-F886 HydrophobicContact CG-CG 4.41Å; W19-F886 HydrophobicContact CH2-CB 3.52Å; W19-F886 WeakPolarHBondContact CH2-O 3.41Å; W19-F886 HydrophobicContact CZ2-CB 3.53Å; W19-F886 HydrophobicContact CZ3-CB 3.63Å; W19-F886 AromaticContact NE1-CD2 3.89Å; Y21-F886 HydrophobicContact CE1-CE2 4.5Å; Y21-F886 AromaticContact CE1-CZ 3.98Å; Y21-F886 HydrophobicContact CE1-CZ 3.98Å; V31-F886 HydrophobicContact CB-CD1 4.35Å; V31-F886 HydrophobicContact CG1-CB 4.5Å; V31-F886 HydrophobicContact CG1-CD1 4.04Å; V31-F886 HydrophobicContact CG1-CD2 4.2Å; V31-F886 HydrophobicContact CG1-CE1 4.3Å; V31-F886 HydrophobicContact CG1-CE2 4.42Å; V31-F886 HydrophobicContact CG1-CG 4Å; V31-F886 HydrophobicContact CG1-CZ 4.47Å; V31-F886 HydrophobicContact CG2-CD1 4.29Å; V31-F886 HydrophobicContact CG2-CE1 4.03Å; S40-F886 WeakPolarHBondContact CB-O 3.45Å; S40-F886 PolarHBondContact OG-O 3.28Å; Y42-F886 AromaticContact CD1-CD1 3.88Å; Y42-F886 HydrophobicContact CD1-CD1 3.88Å; Y42-F886 AromaticContact CD1-CE1 3.47Å; Y42-F886 HydrophobicContact CD1-CE1 3.47Å; Y42-F886 VanDerWaalsContact CD1-CE1 3.47Å; Y42-F886 AromaticContact CE1-CE1 3.83Å; Y42-F886 HydrophobicContact CE1-CE1 3.83Å; Y42-F886 AromaticContact CG-CD1 3.98Å; Y42-F886 HydrophobicContact CG-CD1 3.98Å; Y42-F886 AromaticContact CG-CE1 3.99Å; Y42-F886 HydrophobicContact CG-CE1 3.99Å; L95-F886 HydrophobicContact CD1-CZ 4.46Å; L95-F886 HydrophobicContact CD2-CZ 4.22Å; R882-F886 WeakPolarHBondContact O-CD2 3.18Å; R882-F886 PolarHBondContact O-N 3.41Å
887G63.1Low47.5Very low33 Ų33119.4 Ų119.434%0.3462%0.621SS.*SBendtrans-67.9165.2-179.500000114E883 G889E883-G887 WeakPolarHBondContact O-CA 3.28Å; E883-G887 PolarHBondContact O-N 3.46Å; G887-G889 PolarHBondContact O-N 2.96Å; G887-G889 VanDerWaalsContact O-N 3.07Å
888N52.3Low46.9Very low155 Ų155118.8 Ų118.883%0.82962%0.621SS**  trans-54.3113.8-175.6-75.2-21.2000111.9N890N888-N890 PolarHBondContact O-N 3.03Å
889G45.7Very low46.4Very low79 Ų79112.6 Ų112.681%0.81462%0.62SS**SBendtrans-69.545.5-168.100000117.9G887G887-G889 PolarHBondContact O-N 2.96Å; G887-G889 VanDerWaalsContact O-N 3.07Å
890N34.9Very low45.7Very low164 Ų164118.4 Ų118.488%0.87763%0.629SS**  trans-997.2172-97.91.9000115.1N888N888-N890 PolarHBondContact O-N 3.03Å
891R34.3Very low44.4Very low234 Ų234124.8 Ų124.888%0.88366%0.657SS**SBendtrans-107.6104.8167.6-70.7-176.7178.41720.7109.2L893R891-L893 PolarHBondContact O-N 2.94Å
892K30.7Very low42.7Very low199 Ų199128.6 Ų128.687%0.86568%0.675SS**  trans-51.3125.2166.3-69.4175.8178.2174.80107.8
893L33.1Very low40.4Very low139 Ų139134.1 Ų134.173%0.72870%0.704SS**  trans-49.7130.6169.3-84.798.6000108.4R891 K895R891-L893 PolarHBondContact O-N 2.94Å; L893-K895 PolarHBondContact O-N 3.42Å
894P28.8Very low38.2Very low109 Ų109134.4 Ų134.471%0.70872%0.717SS**  trans-63.8108.8-179.8-15.327.9000109.2N896P894-N896 PolarHBondContact O-N 2.92Å
895K29.7Very low36.3Very low202 Ų202134.5 Ų134.588%0.87873%0.731SS**  trans-66.482.1162.5-75-176.2176.6-177.60107.6L893L893-K895 PolarHBondContact O-N 3.42Å
896N27.2Very low34.1Very low148 Ų148142.2 Ų142.279%0.79177%0.765SS**  trans-164.873.8164.1-89.7-23.2000109.6P894P894-N896 PolarHBondContact O-N 2.92Å
897V31.2Very low31.5Very low146 Ų146145 Ų14589%0.88580%0.796SS**  trans-124.471.7150.2-173.70000106
898A26.5Very low30Very low84 Ų84152.2 Ų152.269%0.69483%0.826SS**  trans-68.3129.4165.100000108R900A898-R900 PolarHBondContact O-N 3.19Å; A898-R900 VanDerWaalsContact O-N 3.14Å
899A25.2Very low28.8Very low103 Ų103152.1 Ų152.185%0.85183%0.825SS**  trans-47113.3176.500000111.4
900R26Very low28Very low243 Ų243152.6 Ų152.692%0.91782%0.821SS**  trans-82.7116.5166.3-90.1-176.2171.6178.5-2.5108.7A898 I902A898-R900 PolarHBondContact O-N 3.19Å; A898-R900 VanDerWaalsContact O-N 3.14Å; R900-I902 PolarHBondContact O-N 2.84Å
901Q22.5Very low27.9Very low187 Ų187151.2 Ų151.287%0.87482%0.819SS**  trans-44.1128.7170.4-92.6165.4-56.700111.9Q903Q901-Q903 PolarHBondContact O-N 2.89Å
902I25Very low27.8Very low170 Ų170145.6 Ų145.687%0.87281%0.811SS**  trans-64.5106.7166.8-63.6163.7000107R900R900-I902 PolarHBondContact O-N 2.84Å
903Q21.7Very low27.9Very low183 Ų183147.6 Ų147.686%0.85581%0.813SS**  trans-85.3116.5163-84.8-178.2-17.700108.6Q901 S905Q901-Q903 PolarHBondContact O-N 2.89Å; Q903-S905 PolarHBondContact O-N 3Å
904S24.6Very low28.2Very low102 Ų102147 Ų14771%0.71382%0.816SS**  trans-56.2120.8169.348.20000111.8
905S28.9Very low28.4Very low120 Ų120148.4 Ų148.484%0.83982%0.817SS**  trans-108.2109.1160.5600000109.2Q903Q903-S905 PolarHBondContact O-N 3Å
906H25.1Very low29.2Very low181 Ų181143.3 Ų143.384%0.83880%0.803SS**  trans-61.3147.9169.4-88.4-90.3000112.7
907G26.1Very low30Very low65 Ų65140.2 Ų140.267%0.6780%0.798SS**  86.9101.9127.200000118
908L31.1Very low30.7Very low183 Ų183136.5 Ų136.596%0.95878%0.783SS**  trans-149.3102.7140.5-107.7148000108.4
909D26.8Very low31.7Very low153 Ų153136.3 Ų136.382%0.81877%0.773SS**  trans-74.2141.2177.1-79.8-45000112.3
910A27.8Very low32.8Very low89 Ų89136 Ų13674%0.73676%0.757SS**  trans28.3111.6140.700000120.4
911T33.9Very low34.1Very low136 Ų136131.7 Ų131.783%0.83475%0.747SS**  -158.1103.8127.5-1.90000112.1
912T32.5Very low35.8Very low116 Ų116127.2 Ų127.271%0.71273%0.732SS**  trans27.6106143.247.50000118.8
913R32.4Very low37.3Very low240 Ų240124.8 Ų124.891%0.90672%0.717SS**  50.570.480.3-68.7-170.9178.11770.6115.7
914T38.8Very low39.3Very low127 Ų127125.3 Ų125.378%0.77971%0.711SS**  trans-1553.2150.616.30000117.5
915N34.2Very low40.9Very low138 Ų138123.2 Ų123.274%0.73870%0.7SS**  trans-112.435.5-178.8-71.8-12.6000115.1A917 T919N915-A917 PolarHBondContact O-N 3.23Å; N915-T919 PolarHBondContact O-OG1 2.79Å
916V45.6Very low42.4Very low96 Ų96126.6 Ų126.658%0.58270%0.695SS**Hα-helixtrans-74.3-22.7-173.2-179.20000113.8T919V916-T919 WeakPolarHBondContact CA-OG1 3.5Å; V916-T919 PolarHBondContact O-OG1 3.49Å; V916-T919 VanDerWaalsContact O-OG1 3.11Å
917A44Very low44.3Very low83 Ų83123.5 Ų123.569%0.68668%0.682SS**Hα-helixtrans-76.9-44.7-177.600000113.1N915 T919 N920N915-A917 PolarHBondContact O-N 3.23Å; A917-T919 VanDerWaalsContact C-N 3.31Å; A917-T919 PolarHBondContact O-N 2.88Å; A917-N920 PolarHBondContact O-N 2.88Å
918A47Very low46.3Very low68 Ų68123 Ų12356%0.56267%0.671SS**Hα-helixtrans-70-26.6-179.900000113.2V922A918-V922 WeakPolarHBondContact O-CG2 3.46Å; A918-V922 PolarHBondContact O-N 2.88Å
919T46Very low47.8Very low79 Ų79120 Ų12049%0.48566%0.656SS.*Hα-helixtrans-72-32.6179.630.20000112.9N915 V916 A917 Q923N915-T919 PolarHBondContact O-OG1 2.79Å; V916-T919 WeakPolarHBondContact CA-OG1 3.5Å; V916-T919 PolarHBondContact O-OG1 3.49Å; V916-T919 VanDerWaalsContact O-OG1 3.11Å; A917-T919 VanDerWaalsContact C-N 3.31Å; A917-T919 PolarHBondContact O-N 2.88Å; T919-Q923 WeakPolarHBondContact O-CB 3.32Å; T919-Q923 PolarHBondContact O-N 3.44Å
920N48Very low49.6Very low97 Ų97114.9 Ų114.952%0.51963%0.632SS.*Hα-helixtrans-70.7-38.3179.2-78.7-20.1000113.3A917 Q923 R924A917-N920 PolarHBondContact O-N 2.88Å; N920-Q923 PolarHBondContact O-N 3.06Å; N920-R924 PolarHBondContact O-N 2.82Å
921E53.2Low51.4Low153 Ų153115.5 Ų115.572%0.71562%0.619SS**Hα-helixtrans-68.8-41.4176.3-74.6-170.5156.100111.8Q923 R924 A925E921-Q923 VanDerWaalsContact C-N 3.27Å; E921-Q923 PolarHBondContact O-N 2.94Å; E921-R924 PolarHBondContact O-N 3.17Å; E921-A925 WeakPolarHBondContact O-CB 3.45Å; E921-A925 PolarHBondContact O-N 2.83Å
922V59.8Low52.9Low93 Ų93117.2 Ų117.256%0.56461%0.611SS**Hα-helixtrans-59.9-40.3172.7174.10000110.5A918 A925 R926A918-V922 WeakPolarHBondContact O-CG2 3.46Å; A918-V922 PolarHBondContact O-N 2.88Å; V922-A925 PolarHBondContact O-N 3.08Å; V922-R926 VanDerWaalsContact O-CB 3.28Å; V922-R926 WeakPolarHBondContact O-CB 3.45Å; V922-R926 PolarHBondContact O-N 3.05Å
923Q56.8Low54.4Low119 Ų119113.6 Ų113.656%0.55660%0.596SS**Hα-helixtrans-68.6-38179.3-166.8154.9-23.300113T919 N920 E921 R926 M927T919-Q923 WeakPolarHBondContact O-CB 3.32Å; T919-Q923 PolarHBondContact O-N 3.44Å; N920-Q923 PolarHBondContact O-N 3.06Å; E921-Q923 VanDerWaalsContact C-N 3.27Å; E921-Q923 PolarHBondContact O-N 2.94Å; Q923-R926 PolarHBondContact O-N 3.04Å; Q923-M927 WeakPolarHBondContact O-CG 3.29Å; Q923-M927 PolarHBondContact O-N 2.95Å
924R62.4Low56Low194 Ų194107.1 Ų107.173%0.73258%0.576SS**Hα-helixtrans-65.1-46.1171.9-81.9-172.8-177.8169.31.1112.3N920 E921 R926 M927 A928N920-R924 PolarHBondContact O-N 2.82Å; E921-R924 PolarHBondContact O-N 3.17Å; R924-R926 PolarHBondContact O-N 3.49Å; R924-M927 HydrophobicContact CG-CE 4.18Å; R924-M927 PolarHBondContact O-N 2.95Å; R924-A928 PolarHBondContact O-N 3.09Å
925A59.1Low57.5Low58 Ų58106.6 Ų106.648%0.47956%0.563SS.*Hα-helixtrans-60.2-36176.400000111.5E921 V922 A928 L929E921-A925 WeakPolarHBondContact O-CB 3.45Å; E921-A925 PolarHBondContact O-N 2.83Å; V922-A925 PolarHBondContact O-N 3.08Å; A925-A928 PolarHBondContact O-N 3.5Å; A925-L929 PolarHBondContact O-N 3.13Å
926R60.6Low58.8Low191 Ų191105.4 Ų105.472%0.72156%0.556SS**Hα-helixtrans-68.8-40.1176.9-148.4173.3-165.5165.93112.8V922 Q923 R924 L929 S930V922-R926 VanDerWaalsContact O-CB 3.28Å; V922-R926 WeakPolarHBondContact O-CB 3.45Å; V922-R926 PolarHBondContact O-N 3.05Å; Q923-R926 PolarHBondContact O-N 3.04Å; R924-R926 PolarHBondContact O-N 3.49Å; R926-L929 PolarHBondContact O-N 3.11Å; R926-S930 PolarHBondContact O-N 2.78Å
927M64.6Low59.9Low116 Ų116103.5 Ų103.557%0.57155%0.547SS*.Hα-helixtrans-64.4-43.1173.3-71.9-171.8-65.400111.7Q923 R924 L929 S930 E931Q923-M927 WeakPolarHBondContact O-CG 3.29Å; Q923-M927 PolarHBondContact O-N 2.95Å; R924-M927 HydrophobicContact CG-CE 4.18Å; R924-M927 PolarHBondContact O-N 2.95Å; M927-L929 PolarHBondContact O-N 3.46Å; M927-S930 WeakPolarHBondContact O-CB 3.13Å; M927-S930 PolarHBondContact O-N 2.95Å; M927-E931 PolarHBondContact O-N 3.14Å
928A68.6Low61.3Low54 Ų54103.7 Ų103.745%0.44653%0.534SS..Hα-helixtrans-65.5-35.7177.600000113R924 A925 R932R924-A928 PolarHBondContact O-N 3.09Å; A925-A928 PolarHBondContact O-N 3.5Å; A928-R932 WeakPolarHBondContact O-CB 3.36Å; A928-R932 PolarHBondContact O-N 3.24Å
929L62.7Low62.5Low120 Ų120104.6 Ų104.663%0.62853%0.532SS*.Hα-helixtrans-67.1-40.1172.9-96.8164.1000112.2A925 R926 M927 R932 G933A925-L929 PolarHBondContact O-N 3.13Å; R926-L929 PolarHBondContact O-N 3.11Å; M927-L929 PolarHBondContact O-N 3.46Å; L929-R932 PolarHBondContact O-N 2.91Å; L929-G933 PolarHBondContact O-N 3.38Å
930S64.5Low63.8Low45 Ų45107.4 Ų107.432%0.31554%0.54SS..Hα-helixtrans-60.7-47.5174.3-176.40000111.6F869 R926 M927 R932 G933 E934F869-S930 WeakPolarHBondContact CE2-OG 3.36Å; R926-S930 PolarHBondContact O-N 2.78Å; M927-S930 WeakPolarHBondContact O-CB 3.13Å; M927-S930 PolarHBondContact O-N 2.95Å; S930-R932 VanDerWaalsContact C-N 3.32Å; S930-R932 PolarHBondContact O-N 2.78Å; S930-G933 PolarHBondContact O-N 2.7Å; S930-E934 PolarHBondContact O-N 3.16Å
931E65.9Low65.2Low102 Ų102105.8 Ų105.848%0.47753%0.531SS..Hα-helixtrans-63.1-38.7178.2-167.2-165.5152.800111.8M927 E934 K935M927-E931 PolarHBondContact O-N 3.14Å; E931-E934 PolarHBondContact O-N 3.48Å; E931-K935 WeakPolarHBondContact O-CG 3.36Å; E931-K935 PolarHBondContact O-N 2.93Å; E931-K935 VanDerWaalsContact O-N 3.09Å; E931-K935 IonicContact OE1-NZ 3.23Å; E931-K935 PolarHBondContact OE1-NZ 2.86Å
932R64.1Low66.3Low172 Ų172103.9 Ų103.965%0.64952%0.521SS*.Hα-helixtrans-66.8-39.6175.7-168.9-177.5-63.9-168.8-0.7112A928 L929 S930 K935 L936A928-R932 WeakPolarHBondContact O-CB 3.36Å; A928-R932 PolarHBondContact O-N 3.24Å; L929-R932 PolarHBondContact O-N 2.91Å; S930-R932 VanDerWaalsContact C-N 3.32Å; S930-R932 PolarHBondContact O-N 2.78Å; R932-K935 PolarHBondContact O-N 3.26Å; R932-L936 HydrophobicContact CG-CD1 4.35Å; R932-L936 WeakPolarHBondContact O-CG 3.21Å; R932-L936 PolarHBondContact O-N 3.47Å
933G63.9Low67.2Low40 Ų40103.3 Ų103.341%0.41252%0.518SS..Hα-helixtrans-63.2-41.3175.900000112.5L929 S930 L936 S937L929-G933 PolarHBondContact O-N 3.38Å; S930-G933 PolarHBondContact O-N 2.7Å; G933-L936 PolarHBondContact O-N 2.61Å; G933-S937 PolarHBondContact O-N 2.98Å
934E66.6Low68.2Low104 Ų104100.3 Ų100.349%0.48651%0.513SS..Hα-helixtrans-62.8-46.3175.8-172.4175.1-172.200111.9S930 E931 L936 S937 E938S930-E934 PolarHBondContact O-N 3.16Å; E931-E934 PolarHBondContact O-N 3.48Å; E934-L936 VanDerWaalsContact C-N 3.32Å; E934-L936 PolarHBondContact O-N 2.91Å; E934-S937 PolarHBondContact O-N 3.03Å; E934-E938 PolarHBondContact O-N 2.92Å
935K69.3Low69.1Low116 Ų11696 Ų9650%0.50450%0.504SS..Hα-helixtrans-62.2-37.1175.6-75.7173.4172.8165.20112.8E931 R932 V939E931-K935 WeakPolarHBondContact O-CG 3.36Å; E931-K935 PolarHBondContact O-N 2.93Å; E931-K935 VanDerWaalsContact O-N 3.09Å; E931-K935 IonicContact OE1-NZ 3.23Å; E931-K935 PolarHBondContact OE1-NZ 2.86Å; R932-K935 PolarHBondContact O-N 3.26Å; K935-V939 VanDerWaalsContact O-CG2 3.3Å; K935-V939 WeakPolarHBondContact O-CG2 3.41Å; K935-V939 PolarHBondContact O-N 3.11Å; K935-V939 VanDerWaalsContact O-N 3.13Å
936L63.3Low70Confident114 Ų11499 Ų9960%0.59751%0.511SS*.Hα-helixtrans-68-42.7176.2-80.3165.7000111.9R932 G933 E934 V939 E940R932-L936 HydrophobicContact CG-CD1 4.35Å; R932-L936 WeakPolarHBondContact O-CG 3.21Å; R932-L936 PolarHBondContact O-N 3.47Å; G933-L936 PolarHBondContact O-N 2.61Å; E934-L936 VanDerWaalsContact C-N 3.32Å; E934-L936 PolarHBondContact O-N 2.91Å; L936-V939 PolarHBondContact O-N 2.6Å; L936-E940 PolarHBondContact O-N 2.59Å
937S68.5Low70.9Confident56 Ų5692.7 Ų92.739%0.39250%0.5SS..Hα-helixtrans-64.6-38.4175.4174.20000112.1G933 E934 V939 E940 D941G933-S937 PolarHBondContact O-N 2.98Å; E934-S937 PolarHBondContact O-N 3.03Å; S937-V939 VanDerWaalsContact C-N 3.32Å; S937-V939 PolarHBondContact O-N 3.38Å; S937-E940 PolarHBondContact O-N 3.46Å; S937-D941 PolarHBondContact O-N 3.44Å
938E72.2Confident71.7Confident87 Ų8794.1 Ų94.141%0.40751%0.505SS..Hα-helixtrans-63.3-38.6174.6-161.3-167.3163.600112.2E934 K942E934-E938 PolarHBondContact O-N 2.92Å; E938-K942 WeakPolarHBondContact O-CB 3.48Å; E938-K942 WeakPolarHBondContact O-CG 3.34Å; E938-K942 PolarHBondContact O-N 3Å; E938-K942 VanDerWaalsContact OE1-CE 3.22Å; E938-K942 WeakPolarHBondContact OE1-CE 3.4Å; E938-K942 IonicContact OE1-NZ 2.7Å; E938-K942 PolarHBondContact OE1-NZ 3.16Å
939V72Confident72.3Confident86 Ų8694.8 Ų94.852%0.52151%0.507SS..Hα-helixtrans-68.3-40.2175.1170.80000111.2K935 L936 S937 K942 T943K935-V939 VanDerWaalsContact O-CG2 3.3Å; K935-V939 WeakPolarHBondContact O-CG2 3.41Å; K935-V939 PolarHBondContact O-N 3.11Å; K935-V939 VanDerWaalsContact O-N 3.13Å; L936-V939 PolarHBondContact O-N 2.6Å; S937-V939 VanDerWaalsContact C-N 3.32Å; S937-V939 PolarHBondContact O-N 3.38Å; V939-K942 PolarHBondContact O-N 2.93Å; V939-T943 WeakPolarHBondContact O-CB 3.4Å; V939-T943 PolarHBondContact O-N 2.51Å; V939-T943 PolarHBondContact O-OG1 2.65Å
940E74.4Confident73.3Confident138 Ų13891.9 Ų91.965%0.64550%0.5SS*.Hα-helixtrans-61.4-46.6176.5-170.8171.3-169.500111.4L936 S937 T943 A944L936-E940 PolarHBondContact O-N 2.59Å; S937-E940 PolarHBondContact O-N 3.46Å; E940-T943 WeakPolarHBondContact O-CB 3.1Å; E940-T943 PolarHBondContact O-N 2.66Å; E940-T943 VanDerWaalsContact O-N 3.16Å; E940-A944 PolarHBondContact O-N 3.27Å
941D76.1Confident74.3Confident64 Ų6496.3 Ų96.334%0.34251%0.513SS..Hα-helixtrans-67-41.8178.7-71.2-23.5000112.6K865 S937 T943 A944 I945K865-D941 IonicContact NZ-OD2 3.43Å; K865-D941 PolarHBondContact NZ-OD2 2.95Å; S937-D941 PolarHBondContact O-N 3.44Å; D941-T943 PolarHBondContact O-N 3.13Å; D941-A944 PolarHBondContact O-N 3.45Å; D941-I945 VanDerWaalsContact O-CG1 3.29Å; D941-I945 WeakPolarHBondContact O-CG1 3.22Å; D941-I945 PolarHBondContact O-N 3.13Å
942K77Confident75.2Confident113 Ų11394.3 Ų94.349%0.49151%0.514SS..Hα-helixtrans-60.9-37.5172.9-76.3177.6-174.9168.80111.3E938 V939 L946E938-K942 WeakPolarHBondContact O-CB 3.48Å; E938-K942 WeakPolarHBondContact O-CG 3.34Å; E938-K942 PolarHBondContact O-N 3Å; E938-K942 VanDerWaalsContact OE1-CE 3.22Å; E938-K942 WeakPolarHBondContact OE1-CE 3.4Å; E938-K942 IonicContact OE1-NZ 2.7Å; E938-K942 PolarHBondContact OE1-NZ 3.16Å; V939-K942 PolarHBondContact O-N 2.93Å; K942-L946 VanDerWaalsContact O-CB 3.32Å; K942-L946 WeakPolarHBondContact O-CB 3.33Å; K942-L946 WeakPolarHBondContact O-CD1 3.1Å; K942-L946 VanDerWaalsContact O-CG 3.26Å; K942-L946 WeakPolarHBondContact O-CG 3.28Å; K942-L946 PolarHBondContact O-N 2.98Å
943T78.1Confident76.1Confident81 Ų8193.6 Ų93.650%0.49751%0.513SS..Hα-helixtrans-68.8-39.8177.3-54.80000111.4V939 E940 D941 L946 A947V939-T943 WeakPolarHBondContact O-CB 3.4Å; V939-T943 PolarHBondContact O-N 2.51Å; V939-T943 PolarHBondContact O-OG1 2.65Å; E940-T943 WeakPolarHBondContact O-CB 3.1Å; E940-T943 PolarHBondContact O-N 2.66Å; E940-T943 VanDerWaalsContact O-N 3.16Å; D941-T943 PolarHBondContact O-N 3.13Å; T943-L946 PolarHBondContact O-N 3.28Å; T943-A947 WeakPolarHBondContact O-CB 3.26Å; T943-A947 PolarHBondContact O-N 2.76Å
944A78.4Confident77Confident56 Ų5694.1 Ų94.146%0.46351%0.513SS..Hα-helixtrans-64.6-45.3175.500000112.1E940 D941 L946 A947 E948E940-A944 PolarHBondContact O-N 3.27Å; D941-A944 PolarHBondContact O-N 3.45Å; A944-L946 VanDerWaalsContact C-N 3.33Å; A944-L946 PolarHBondContact O-N 2.93Å; A944-A947 WeakPolarHBondContact O-CB 3.43Å; A944-A947 PolarHBondContact O-N 3.14Å; A944-E948 PolarHBondContact O-N 3.42Å
945I81.3Confident78Confident104 Ų10493.1 Ų93.153%0.53351%0.511SS..Hα-helixtrans-62.7-41175.8-66.2165.6000111D941 A947 E948 S949D941-I945 VanDerWaalsContact O-CG1 3.29Å; D941-I945 WeakPolarHBondContact O-CG1 3.22Å; D941-I945 PolarHBondContact O-N 3.13Å; I945-A947 VanDerWaalsContact C-N 3.34Å; I945-E948 PolarHBondContact O-N 3.43Å; I945-S949 VanDerWaalsContact O-CB 3.3Å; I945-S949 WeakPolarHBondContact O-CB 2.89Å; I945-S949 PolarHBondContact O-N 3.03Å; I945-S949 PolarHBondContact O-OG 3.47Å
946L77.7Confident78.8Confident119 Ų11992.5 Ų92.562%0.62351%0.509SS*.Hα-helixtrans-63.8-39.7174.8-80.6165.7000111.7K942 T943 A944 A950K942-L946 VanDerWaalsContact O-CB 3.32Å; K942-L946 WeakPolarHBondContact O-CB 3.33Å; K942-L946 WeakPolarHBondContact O-CD1 3.1Å; K942-L946 VanDerWaalsContact O-CG 3.26Å; K942-L946 WeakPolarHBondContact O-CG 3.28Å; K942-L946 PolarHBondContact O-N 2.98Å; T943-L946 PolarHBondContact O-N 3.28Å; A944-L946 VanDerWaalsContact C-N 3.33Å; A944-L946 PolarHBondContact O-N 2.93Å; L946-A950 WeakPolarHBondContact O-CB 3.45Å; L946-A950 PolarHBondContact O-N 3.09Å
947A79.3Confident79.8Confident60 Ų6090.4 Ų90.450%0.49650%0.498SS..Hα-helixtrans-65.9-41.7176.400000112.1T943 A944 I945 A950 K951T943-A947 WeakPolarHBondContact O-CB 3.26Å; T943-A947 PolarHBondContact O-N 2.76Å; A944-A947 WeakPolarHBondContact O-CB 3.43Å; A944-A947 PolarHBondContact O-N 3.14Å; I945-A947 VanDerWaalsContact C-N 3.34Å; A947-A950 PolarHBondContact O-N 3.29Å; A947-K951 WeakPolarHBondContact O-CB 3.44Å; A947-K951 PolarHBondContact O-N 3.03Å
948E82.9Confident80.3Confident145 Ų14594.2 Ų94.268%0.67851%0.51SS*.Hα-helixtrans-67.8-42.4176.5-171169.3-157.500111.7A944 I945 A950 K951 A952A944-E948 PolarHBondContact O-N 3.42Å; I945-E948 PolarHBondContact O-N 3.43Å; E948-A950 PolarHBondContact O-N 3.47Å; E948-K951 PolarHBondContact O-N 3.4Å; E948-A952 PolarHBondContact O-N 3.13Å
949S79.7Confident81Confident69 Ų6994.3 Ų94.348%0.48351%0.51SS..Hα-helixtrans-63.5-41174.8-59.90000111.7I945 K951 A952 Y953I945-S949 VanDerWaalsContact O-CB 3.3Å; I945-S949 WeakPolarHBondContact O-CB 2.89Å; I945-S949 PolarHBondContact O-N 3.03Å; I945-S949 PolarHBondContact O-OG 3.47Å; S949-K951 VanDerWaalsContact C-N 3.33Å; S949-A952 PolarHBondContact O-N 3.14Å; S949-Y953 VanDerWaalsContact O-CB 3.28Å; S949-Y953 WeakPolarHBondContact O-CB 3.28Å; S949-Y953 PolarHBondContact O-N 3.33Å
950A83.9Confident81.4Confident59 Ų5993.9 Ų93.949%0.48850%0.504SS..Hα-helixtrans-64.6-38175.300000111.7L946 A947 E948 A954L946-A950 WeakPolarHBondContact O-CB 3.45Å; L946-A950 PolarHBondContact O-N 3.09Å; A947-A950 PolarHBondContact O-N 3.29Å; E948-A950 PolarHBondContact O-N 3.47Å; A950-A954 WeakPolarHBondContact O-CB 3.11Å; A950-A954 PolarHBondContact O-N 3Å
951K86.2Confident81.7Confident138 Ų13893.5 Ų93.560%0.650%0.504SS*.Hα-helixtrans-66.2-48.5174.3-172.8-176.9176.4-173.40111.6A947 E948 S949 Y953 A954 D955A947-K951 WeakPolarHBondContact O-CB 3.44Å; A947-K951 PolarHBondContact O-N 3.03Å; E948-K951 PolarHBondContact O-N 3.4Å; S949-K951 VanDerWaalsContact C-N 3.33Å; K951-Y953 VanDerWaalsContact C-N 3.26Å; K951-Y953 PolarHBondContact O-N 2.81Å; K951-A954 WeakPolarHBondContact O-CB 3.45Å; K951-A954 PolarHBondContact O-N 2.85Å; K951-A954 VanDerWaalsContact O-N 3.11Å; K951-D955 PolarHBondContact O-N 3.41Å
952A83.9Confident81.9Confident59 Ų5993 Ų9349%0.48851%0.505SS..Hα-helixtrans-59.3-39.3176.300000111.9E948 S949 H956E948-A952 PolarHBondContact O-N 3.13Å; S949-A952 PolarHBondContact O-N 3.14Å; A952-H956 WeakPolarHBondContact O-CB 3.3Å; A952-H956 PolarHBondContact O-N 3.46Å
953Y83.7Confident82.1Confident158 Ų15893.6 Ų93.662%0.6251%0.508SS*.Hα-helixtrans-66.8-40.8174.8-170.9-104.5000112.3S949 K951 H956 I957S949-Y953 VanDerWaalsContact O-CB 3.28Å; S949-Y953 WeakPolarHBondContact O-CB 3.28Å; S949-Y953 PolarHBondContact O-N 3.33Å; K951-Y953 VanDerWaalsContact C-N 3.26Å; K951-Y953 PolarHBondContact O-N 2.81Å; Y953-H956 PolarHBondContact O-N 3.18Å; Y953-I957 HydrophobicContact CD1-CD1 3.68Å; Y953-I957 HydrophobicContact CD1-CG1 4.43Å; Y953-I957 HydrophobicContact CE1-CD1 3.24Å; Y953-I957 HydrophobicContact CE1-CG1 4.16Å; Y953-I957 WeakPolarHBondContact O-CG1 3.46Å; Y953-I957 PolarHBondContact O-N 3.24Å
954A83.5Confident82.2Confident51 Ų5194.3 Ų94.342%0.42151%0.506SS..Hα-helixtrans-63.6-44.2174.900000112A950 K951 H956 I957 Q958A950-A954 WeakPolarHBondContact O-CB 3.11Å; A950-A954 PolarHBondContact O-N 3Å; K951-A954 WeakPolarHBondContact O-CB 3.45Å; K951-A954 PolarHBondContact O-N 2.85Å; K951-A954 VanDerWaalsContact O-N 3.11Å; A954-H956 VanDerWaalsContact C-N 3.33Å; A954-H956 PolarHBondContact O-N 2.7Å; A954-I957 PolarHBondContact O-N 3.03Å; A954-Q958 WeakPolarHBondContact O-CB 3.49Å; A954-Q958 PolarHBondContact O-N 2.95Å
955D87.3Confident82.2Confident83 Ų83100.3 Ų100.344%0.44452%0.522SS..Hα-helixtrans-61.8-42.4176.3-68.4-19.2000110.7K951 Q958 E959K951-D955 PolarHBondContact O-N 3.41Å; D955-Q958 WeakPolarHBondContact O-CB 3.44Å; D955-Q958 PolarHBondContact O-N 3.38Å; D955-E959 PolarHBondContact O-N 3.39Å
956H85.7Confident82.1Confident102 Ų102101.2 Ų101.247%0.47253%0.527SS..Hα-helixtrans-64.2-42.2176-169.954000112.7A952 Y953 A954 Q958 E959 I960A952-H956 WeakPolarHBondContact O-CB 3.3Å; A952-H956 PolarHBondContact O-N 3.46Å; Y953-H956 PolarHBondContact O-N 3.18Å; A954-H956 VanDerWaalsContact C-N 3.33Å; A954-H956 PolarHBondContact O-N 2.7Å; H956-Q958 VanDerWaalsContact C-N 3.3Å; H956-Q958 PolarHBondContact O-N 2.96Å; H956-E959 PolarHBondContact O-N 3.25Å; H956-I960 WeakPolarHBondContact O-CG1 3.21Å; H956-I960 PolarHBondContact O-N 3.44Å
957I83.6Confident81.9Confident70 Ų7099.3 Ų99.336%0.35951%0.514SS..Hα-helixtrans-61.3-41.4172.8-74.8175.7000110.7Y953 A954 E959 I960 M961Y953-I957 HydrophobicContact CD1-CD1 3.68Å; Y953-I957 HydrophobicContact CD1-CG1 4.43Å; Y953-I957 HydrophobicContact CE1-CD1 3.24Å; Y953-I957 HydrophobicContact CE1-CG1 4.16Å; Y953-I957 WeakPolarHBondContact O-CG1 3.46Å; Y953-I957 PolarHBondContact O-N 3.24Å; A954-I957 PolarHBondContact O-N 3.03Å; I957-E959 VanDerWaalsContact C-N 3.3Å; I957-E959 PolarHBondContact O-N 3.03Å; I957-I960 PolarHBondContact O-N 3.01Å; I957-M961 HydrophobicContact CG2-CG 4.12Å; I957-M961 WeakPolarHBondContact O-CB 3.32Å; I957-M961 WeakPolarHBondContact O-CG 3.5Å; I957-M961 PolarHBondContact O-N 3.32Å
958Q80.4Confident81.3Confident137 Ų137102.5 Ų102.564%0.6452%0.517SS*.Hα-helixtrans-64.1-38.7179.5-150.917918.400111.2A954 D955 H956 M961 S962A954-Q958 WeakPolarHBondContact O-CB 3.49Å; A954-Q958 PolarHBondContact O-N 2.95Å; D955-Q958 WeakPolarHBondContact O-CB 3.44Å; D955-Q958 PolarHBondContact O-N 3.38Å; H956-Q958 VanDerWaalsContact C-N 3.3Å; H956-Q958 PolarHBondContact O-N 2.96Å; Q958-M961 PolarHBondContact O-N 3Å; Q958-S962 WeakPolarHBondContact O-CB 3.43Å; Q958-S962 PolarHBondContact O-N 3.23Å
959E85Confident80.8Confident89 Ų89105.8 Ų105.842%0.41652%0.523SS..Hα-helixtrans-63.5-47.2173.3-161-163.4150.100111.7D955 H956 I957 M961 S962 K963D955-E959 PolarHBondContact O-N 3.39Å; H956-E959 PolarHBondContact O-N 3.25Å; I957-E959 VanDerWaalsContact C-N 3.3Å; I957-E959 PolarHBondContact O-N 3.03Å; E959-M961 VanDerWaalsContact C-N 3.34Å; E959-M961 PolarHBondContact O-N 3.49Å; E959-S962 PolarHBondContact O-N 3.47Å; E959-S962 PolarHBondContact O-OG 3.45Å; E959-K963 PolarHBondContact O-N 3.3Å; E959-K963 WeakPolarHBondContact OE1-CE 3.39Å; E959-K963 IonicContact OE1-NZ 3.54Å; E959-K963 PolarHBondContact OE1-NZ 3.38Å
960I81.9Confident80.3Confident76 Ų76109 Ų10939%0.3953%0.525SS..Hα-helixtrans-60.6-44176.2-68.5168.8000110.9H956 I957 S962 K963 Q964H956-I960 WeakPolarHBondContact O-CG1 3.21Å; H956-I960 PolarHBondContact O-N 3.44Å; I957-I960 PolarHBondContact O-N 3.01Å; I960-S962 VanDerWaalsContact C-N 3.33Å; I960-S962 PolarHBondContact O-N 3.47Å; I960-K963 WeakPolarHBondContact O-CB 3.42Å; I960-K963 PolarHBondContact O-N 3.39Å; I960-Q964 HydrophobicContact CG2-CG 4.38Å; I960-Q964 WeakPolarHBondContact O-CG 3.28Å; I960-Q964 PolarHBondContact O-N 3.01Å
961M80Confident79.1Confident130 Ų130111.2 Ų111.264%0.6453%0.526SS*.Hα-helixtrans-61.9-40.4176.7-74.8-109.3-77.600111.6I957 Q958 E959 Q964 K965I957-M961 HydrophobicContact CG2-CG 4.12Å; I957-M961 WeakPolarHBondContact O-CB 3.32Å; I957-M961 WeakPolarHBondContact O-CG 3.5Å; I957-M961 PolarHBondContact O-N 3.32Å; Q958-M961 PolarHBondContact O-N 3Å; E959-M961 VanDerWaalsContact C-N 3.34Å; E959-M961 PolarHBondContact O-N 3.49Å; M961-Q964 PolarHBondContact O-N 2.93Å; M961-K965 WeakPolarHBondContact O-CB 3.39Å; M961-K965 PolarHBondContact O-N 2.95Å
962S80.3Confident77.3Confident53 Ų53112.5 Ų112.537%0.37154%0.538SS..Hα-helixtrans-64.2-41.2174.882.60000111.9Q958 E959 I960 K965 N966Q958-S962 WeakPolarHBondContact O-CB 3.43Å; Q958-S962 PolarHBondContact O-N 3.23Å; E959-S962 PolarHBondContact O-N 3.47Å; E959-S962 PolarHBondContact O-OG 3.45Å; I960-S962 VanDerWaalsContact C-N 3.33Å; I960-S962 PolarHBondContact O-N 3.47Å; S962-K965 PolarHBondContact O-N 3.02Å; S962-N966 WeakPolarHBondContact O-CB 3.48Å; S962-N966 VanDerWaalsContact O-CG 3.25Å; S962-N966 PolarHBondContact O-N 3.35Å; S962-N966 PolarHBondContact O-ND2 2.9Å
963K81.7Confident77Confident126 Ų126115.2 Ų115.255%0.54854%0.541SS..Hα-helixtrans-62.8-43.2175.1-78.8171.9169.81610111.2E959 I960 N966 K967E959-K963 PolarHBondContact O-N 3.3Å; E959-K963 WeakPolarHBondContact OE1-CE 3.39Å; E959-K963 IonicContact OE1-NZ 3.54Å; E959-K963 PolarHBondContact OE1-NZ 3.38Å; I960-K963 WeakPolarHBondContact O-CB 3.42Å; I960-K963 PolarHBondContact O-N 3.39Å; K963-N966 PolarHBondContact O-N 3.02Å; K963-K967 PolarHBondContact O-N 3.39Å
964Q79.7Confident76.6Confident96 Ų96112.9 Ų112.945%0.44954%0.537SS..Hα-helixtrans-66.6-40.7175.9-70.3-76.92.300112I960 M961 N966 K967I960-Q964 HydrophobicContact CG2-CG 4.38Å; I960-Q964 WeakPolarHBondContact O-CG 3.28Å; I960-Q964 PolarHBondContact O-N 3.01Å; M961-Q964 PolarHBondContact O-N 2.93Å; Q964-N966 VanDerWaalsContact C-N 3.26Å; Q964-N966 PolarHBondContact O-N 3.44Å; Q964-K967 WeakPolarHBondContact O-CB 3.39Å; Q964-K967 PolarHBondContact O-N 3.48Å; Q964-K967 VanDerWaalsContact OE1-NZ 3.12Å
965K78.2Confident76.3Confident183 Ų183116.3 Ų116.380%0.79654%0.543SS*.Hα-helixtrans-63.4-32176.7-171.6179.1179.7-178.40112.7M961 S962 K967M961-K965 WeakPolarHBondContact O-CB 3.39Å; M961-K965 PolarHBondContact O-N 2.95Å; S962-K965 PolarHBondContact O-N 3.02Å; K965-K967 VanDerWaalsContact C-N 3.32Å
966N80.5Confident75.6Confident123 Ų123118.3 Ų118.366%0.65855%0.549SS*.THydrogen-bonded Turntrans-83.6-5.2178.7-69.6-21.5000113.7S962 K963 Q964 K968S962-N966 WeakPolarHBondContact O-CB 3.48Å; S962-N966 VanDerWaalsContact O-CG 3.25Å; S962-N966 PolarHBondContact O-N 3.35Å; S962-N966 PolarHBondContact O-ND2 2.9Å; K963-N966 PolarHBondContact O-N 3.02Å; Q964-N966 VanDerWaalsContact C-N 3.26Å; Q964-N966 PolarHBondContact O-N 3.44Å; N966-K968 PolarHBondContact O-N 3.11Å
967K73.5Confident75Confident79 Ų79119.3 Ų119.334%0.34355%0.554SS.*  trans-65.8125.8174.9-74.1-173.5179.1176.90109.7K963 Q964 K965 Q971 L972K963-K967 PolarHBondContact O-N 3.39Å; Q964-K967 WeakPolarHBondContact O-CB 3.39Å; Q964-K967 PolarHBondContact O-N 3.48Å; Q964-K967 VanDerWaalsContact OE1-NZ 3.12Å; K965-K967 VanDerWaalsContact C-N 3.32Å; K967-Q971 HydrophobicContact CB-CB 4.38Å; K967-L972 HydrophobicContact CB-CD2 4.29Å; K967-L972 HydrophobicContact CB-CG 4.28Å; K967-L972 HydrophobicContact CD-CD2 3.82Å; K967-L972 HydrophobicContact CD-CG 4.47Å
968K65.4Low74.4Confident127 Ų127122.6 Ų122.655%0.55257%0.567SS**  trans-73.5152.3169.4-63.9-166.4-179.4-179.60109N966 Y970 Q971N966-K968 PolarHBondContact O-N 3.11Å; K968-Y970 HydrophobicContact CB-CD1 3.86Å; K968-Y970 HydrophobicContact CB-CE1 3.4Å; K968-Y970 HydrophobicContact CD-CE1 3.7Å; K968-Y970 HydrophobicContact CG-CE1 4.17Å; K968-Y970 PolarHBondContact O-N 3.4Å; K968-Q971 WeakPolarHBondContact O-CB 3.34Å; K968-Q971 PolarHBondContact O-N 3.49Å
969W71.8Confident74Confident213 Ų213121.6 Ų121.681%0.80756%0.561SS**G310 helixtrans-54-23.2-172.966.2-94.6000115.3
970Y69.2Low73.1Confident136 Ų136124.1 Ų124.153%0.53357%0.573SS.*G310 helixtrans-86.6-2.2176.561.9-96.7000114.2K968K968-Y970 HydrophobicContact CB-CD1 3.86Å; K968-Y970 HydrophobicContact CB-CE1 3.4Å; K968-Y970 HydrophobicContact CD-CE1 3.7Å; K968-Y970 HydrophobicContact CG-CE1 4.17Å; K968-Y970 PolarHBondContact O-N 3.4Å
971Q58.8Low72.4Confident107 Ų107128.1 Ų128.150%0.559%0.588SS.*G310 helixtrans-106-2.1176.2-60.1178.2-35.400112.7K967 K968K967-Q971 HydrophobicContact CB-CB 4.38Å; K968-Q971 WeakPolarHBondContact O-CB 3.34Å; K968-Q971 PolarHBondContact O-N 3.49Å
972L49.7Very low71.7Confident164 Ų164127.9 Ų127.986%0.85958%0.583SS**  trans-93.30167.2-67.5168.8000108K967K967-L972 HydrophobicContact CB-CD2 4.29Å; K967-L972 HydrophobicContact CB-CG 4.28Å; K967-L972 HydrophobicContact CD-CD2 3.82Å; K967-L972 HydrophobicContact CD-CG 4.47Å

Retrieved 972 of 972 residues in 414.2 ms (Link to these results)

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