A0A3Q0KCJ1_SCHMA Loading...

Glutamate--cysteine ligase

AlphaFold DB , UniProt , Accession A0A3Q0KCJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 696 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low71Confident46 Ų4659 Ų5923%0.22734%0.339CS..  0172.40-86.7-155.1-71.900115.8E50 P93 E94 F184M1-E50 PolarHBondContact N-OE2 2.9Å; M1-P93 WeakPolarHBondContact CE-O 3.45Å; M1-E94 HydrophobicContact CE-CG 4.13Å; M1-E94 WeakPolarHBondContact CE-OE1 3.33Å; M1-E94 WeakPolarHBondContact CG-OE1 3.44Å; M1-F184 HydrophobicContact CE-CE1 3.68Å; M1-F184 HydrophobicContact CE-CZ 3.46Å; M1-F184 VanDerWaalsContact CE-CZ 3.46Å; M1-F184 HydrophobicContact SD-CE1 3.74Å; M1-F184 HydrophobicContact SD-CZ 4.05Å
2G49.1Very low73.2Confident15 Ų1556 Ų5616%0.15532%0.318CS..  trans-72.5168.817500000113.2L4G2-L4 PolarHBondContact O-N 3.27Å
3L53.1Low75Confident141 Ų14157.2 Ų57.274%0.73833%0.329SS*.  trans-54.5127.1-179-107.8121.1000111.4T5 R183L3-T5 HydrophobicContact CD2-CG2 4.46Å; L3-T5 PolarHBondContact O-N 3.22Å; L3-R183 PolarHBondContact O-NH1 3.06Å
4L60.7Low76.6Confident47 Ų4758.9 Ų58.925%0.24633%0.333CS..  trans-91.787.9172.7-68.4175.3000108.6G2 P93 F184G2-L4 PolarHBondContact O-N 3.27Å; L4-P93 HydrophobicContact CD1-CG 3.59Å; L4-F184 HydrophobicContact CD2-CE2 4.36Å; L4-F184 HydrophobicContact CD2-CZ 4.29Å
5T64.2Low77.9Confident52 Ų5255 Ų5532%0.31931%0.311SS..  trans-82.7133168.245.50000109.2L3 H181 F383L3-T5 HydrophobicContact CD2-CG2 4.46Å; L3-T5 PolarHBondContact O-N 3.22Å; T5-H181 PolarHBondContact O-CE1 3.24Å; T5-H181 VanDerWaalsContact O-CE1 3.26Å; T5-H181 PolarHBondContact O-NE2 2.97Å; T5-H181 VanDerWaalsContact O-NE2 3.12Å; T5-F383 WeakPolarHBondContact O-CE2 3.37Å; T5-F383 WeakPolarHBondContact O-CZ 3.48Å
6I69.4Low79Confident156 Ų15659.1 Ų59.180%0.832%0.324SS*.  trans-83.4121.9175-61173.7000107.4
7G80.6Confident80Confident12 Ų1266.1 Ų66.112%0.12435%0.351CS..  trans-161.8179.4175.800000111.6P9 F383 E385G7-P9 VanDerWaalsContact O-CD 3.29Å; G7-P9 WeakPolarHBondContact O-CD 3.3Å; G7-F383 VanDerWaalsContact C-CD1 3.42Å; G7-F383 WeakPolarHBondContact O-CD1 3.37Å; G7-F383 WeakPolarHBondContact O-CE1 3.47Å; G7-E385 WeakPolarHBondContact CA-OE1 3.46Å; G7-E385 WeakPolarHBondContact CA-OE2 3.36Å
8S88.1Confident80.9Confident68 Ų6864.6 Ų64.648%0.47634%0.342SS..  trans-86.3106.9179.4-52.70000109.2F383 S384 E385S8-F383 WeakPolarHBondContact O-CA 3.35Å; S8-S384 PolarHBondContact O-N 3.12Å; S8-E385 PolarHBondContact N-OE1 2.81Å; S8-E385 PolarHBondContact N-OE2 3.21Å; S8-E385 PolarHBondContact OG-OE1 2.79Å
9P90.8Very high81.7Confident41 Ų4161.4 Ų61.427%0.26633%0.326SS..BIsolated β-bridgetrans-73138.6-17431.1-38.2000111.9G7 P182 T186 V382 F383G7-P9 VanDerWaalsContact O-CD 3.29Å; G7-P9 WeakPolarHBondContact O-CD 3.3Å; P9-P182 HydrophobicContact CG-CB 4Å; P9-T186 HydrophobicContact CB-CG2 3.8Å; P9-T186 WeakPolarHBondContact CB-OG1 2.98Å; P9-T186 VanDerWaalsContact CG-OG1 3.27Å; P9-T186 WeakPolarHBondContact CG-OG1 3.46Å; P9-V382 WeakPolarHBondContact CA-O 3.49Å; P9-F383 HydrophobicContact CB-CD1 4.05Å; P9-F383 HydrophobicContact CB-CE1 3.89Å
10L94.2Very high82.3Confident20 Ų2061.6 Ų61.611%0.10533%0.332CS..PPolyproline II helixtrans-73.1144.9173.4-59.7-178.7000111.8E14 T15 I18 R189 N190 V382 L387L10-E14 HydrophobicContact CB-CB 3.99Å; L10-E14 HydrophobicContact CD1-CB 4.49Å; L10-E14 HydrophobicContact CD2-CB 4.27Å; L10-E14 HydrophobicContact CG-CB 4.48Å; L10-T15 WeakPolarHBondContact CB-OG1 3.44Å; L10-I18 HydrophobicContact CD1-CD1 3.44Å; L10-I18 VanDerWaalsContact CD1-CD1 3.44Å; L10-I18 HydrophobicContact CD1-CG1 4.47Å; L10-R189 PolarHBondContact O-NH2 3.26Å; L10-N190 PolarHBondContact O-ND2 2.7Å; L10-V382 HydrophobicContact CD1-CB 4.15Å; L10-V382 HydrophobicContact CD1-CG1 4.04Å; L10-V382 PolarHBondContact N-O 2.9Å; L10-L387 HydrophobicContact CD1-CD1 4.16Å
11N94.9Very high82.9Confident51 Ų5163.4 Ų63.427%0.27334%0.337SS..PPolyproline II helixtrans-74.1170.2166.663.449.1000111P13 E14 T15N11-P13 VanDerWaalsContact OD1-CD 3.23Å; N11-P13 WeakPolarHBondContact OD1-CD 3.27Å; N11-E14 PolarHBondContact N-OE2 3.1Å; N11-E14 PolarHBondContact ND2-OE1 2.75Å; N11-E14 PolarHBondContact ND2-OE2 3.17Å; N11-E14 PolarHBondContact O-N 3.46Å; N11-E14 WeakPolarHBondContact OD1-CB 3.26Å; N11-E14 VanDerWaalsContact OD1-CD 3.3Å; N11-E14 VanDerWaalsContact OD1-CG 3.29Å; N11-E14 WeakPolarHBondContact OD1-CG 3.47Å; N11-E14 PolarHBondContact OD1-N 3.3Å; N11-E14 PolarHBondContact OD1-OE2 3.06Å; N11-T15 WeakPolarHBondContact O-CB 3.39Å; N11-T15 PolarHBondContact O-N 3.19Å; N11-T15 PolarHBondContact O-OG1 3.14Å
12W97.1Very high85.7Confident23 Ų2361.2 Ų61.29%0.08733%0.327CS..Hα-helixtrans-62.4-45.9-176.8172.7-120.2000113.4E14 T15 K16 N190 E193 R194 D378W12-E14 VanDerWaalsContact C-N 3.29Å; W12-E14 PolarHBondContact O-N 3.44Å; W12-T15 HydrophobicContact CE3-CG2 4.39Å; W12-T15 HydrophobicContact CZ3-CG2 4.35Å; W12-T15 PolarHBondContact O-N 3.26Å; W12-K16 HydrophobicContact CD2-CB 4.3Å; W12-K16 HydrophobicContact CE3-CB 4.47Å; W12-K16 HydrophobicContact CH2-CB 4.13Å; W12-K16 HydrophobicContact CH2-CG 4.34Å; W12-K16 HydrophobicContact CZ2-CB 3.95Å; W12-K16 HydrophobicContact CZ2-CD 3.86Å; W12-K16 HydrophobicContact CZ2-CG 4Å; W12-K16 HydrophobicContact CZ3-CB 4.39Å; W12-K16 VanDerWaalsContact O-CB 3.3Å; W12-K16 WeakPolarHBondContact O-CB 3.27Å; W12-K16 PolarHBondContact O-N 3.02Å; W12-N190 HydrophobicContact CB-CB 4.34Å; W12-N190 PolarHBondContact N-OD1 3.36Å; W12-E193 HydrophobicContact CB-CB 3.75Å; W12-E193 WeakPolarHBondContact CB-OE2 3.26Å; W12-E193 HydrophobicContact CG-CB 3.94Å; W12-R194 HydrophobicContact CD2-CB 3.97Å; W12-R194 HydrophobicContact CE3-CB 4.26Å; W12-R194 HydrophobicContact CH2-CB 4.01Å; W12-R194 HydrophobicContact CH2-CG 3.69Å; W12-R194 HydrophobicContact CZ2-CB 3.68Å; W12-R194 HydrophobicContact CZ2-CG 3.5Å; W12-R194 VanDerWaalsContact CZ2-CG 3.5Å; W12-R194 HydrophobicContact CZ3-CB 4.28Å; W12-R194 HydrophobicContact CZ3-CG 4.35Å; W12-D378 HydrophobicContact CH2-CB 3.93Å; W12-D378 HydrophobicContact CZ3-CB 4.23Å
13P97Very high88Confident71 Ų7161.1 Ų61.146%0.46132%0.322SS..Hα-helixtrans-55.5-39175.1-28.834.7000114.6N11 K17N11-P13 VanDerWaalsContact OD1-CD 3.23Å; N11-P13 WeakPolarHBondContact OD1-CD 3.27Å; P13-K17 WeakPolarHBondContact O-CG 3.24Å; P13-K17 PolarHBondContact O-N 2.93Å
14E96.6Very high90.1Very high82 Ų8258.9 Ų58.938%0.38331%0.308SS..Hα-helixtrans-68.8-48.2174.5-72.4156.3-178.100111.4L10 N11 W12 K16 K17L10-E14 HydrophobicContact CB-CB 3.99Å; L10-E14 HydrophobicContact CD1-CB 4.49Å; L10-E14 HydrophobicContact CD2-CB 4.27Å; L10-E14 HydrophobicContact CG-CB 4.48Å; N11-E14 PolarHBondContact N-OE2 3.1Å; N11-E14 PolarHBondContact ND2-OE1 2.75Å; N11-E14 PolarHBondContact ND2-OE2 3.17Å; N11-E14 PolarHBondContact O-N 3.46Å; N11-E14 WeakPolarHBondContact OD1-CB 3.26Å; N11-E14 VanDerWaalsContact OD1-CD 3.3Å; N11-E14 VanDerWaalsContact OD1-CG 3.29Å; N11-E14 WeakPolarHBondContact OD1-CG 3.47Å; N11-E14 PolarHBondContact OD1-N 3.3Å; N11-E14 PolarHBondContact OD1-OE2 3.06Å; W12-E14 VanDerWaalsContact C-N 3.29Å; W12-E14 PolarHBondContact O-N 3.44Å; E14-K16 VanDerWaalsContact C-N 3.32Å; E14-K16 PolarHBondContact O-N 2.79Å; E14-K17 PolarHBondContact O-N 3.21Å
15T96.6Very high91.7Very high0 Ų059.2 Ų59.20%031%0.308CS..Hα-helixtrans-60-42.9179.6-54.10000111.2L10 N11 W12 K17 I18 A19 P379 V382L10-T15 WeakPolarHBondContact CB-OG1 3.44Å; N11-T15 WeakPolarHBondContact O-CB 3.39Å; N11-T15 PolarHBondContact O-N 3.19Å; N11-T15 PolarHBondContact O-OG1 3.14Å; W12-T15 HydrophobicContact CE3-CG2 4.39Å; W12-T15 HydrophobicContact CZ3-CG2 4.35Å; W12-T15 PolarHBondContact O-N 3.26Å; T15-K17 VanDerWaalsContact C-N 3.31Å; T15-K17 PolarHBondContact O-N 3.47Å; T15-I18 VanDerWaalsContact O-CG1 3.25Å; T15-I18 WeakPolarHBondContact O-CG1 3.48Å; T15-I18 PolarHBondContact O-N 3.47Å; T15-A19 PolarHBondContact O-N 3.27Å; T15-P379 HydrophobicContact CG2-CB 4.44Å; T15-P379 HydrophobicContact CG2-CG 4.13Å; T15-P379 WeakPolarHBondContact CG2-O 3.49Å; T15-V382 HydrophobicContact CG2-CG2 4Å
16K96.1Very high93.2Very high120 Ų12056.8 Ų56.852%0.52229%0.293SS..Hα-helixtrans-61.4-37.1178.8-174.3174.3-177171.40112.3W12 E14 I18 A19W12-K16 HydrophobicContact CD2-CB 4.3Å; W12-K16 HydrophobicContact CE3-CB 4.47Å; W12-K16 HydrophobicContact CH2-CB 4.13Å; W12-K16 HydrophobicContact CH2-CG 4.34Å; W12-K16 HydrophobicContact CZ2-CB 3.95Å; W12-K16 HydrophobicContact CZ2-CD 3.86Å; W12-K16 HydrophobicContact CZ2-CG 4Å; W12-K16 HydrophobicContact CZ3-CB 4.39Å; W12-K16 VanDerWaalsContact O-CB 3.3Å; W12-K16 WeakPolarHBondContact O-CB 3.27Å; W12-K16 PolarHBondContact O-N 3.02Å; E14-K16 VanDerWaalsContact C-N 3.32Å; E14-K16 PolarHBondContact O-N 2.79Å; K16-I18 PolarHBondContact O-N 3.22Å; K16-A19 PolarHBondContact O-N 3.21Å
17K96.1Very high94.5Very high179 Ų17949.4 Ų49.478%0.77826%0.255SS*.Hα-helixtrans-64.9-29.2179.8-74.6170.2-175.41780113.1P13 E14 T15P13-K17 WeakPolarHBondContact O-CG 3.24Å; P13-K17 PolarHBondContact O-N 2.93Å; E14-K17 PolarHBondContact O-N 3.21Å; T15-K17 VanDerWaalsContact C-N 3.31Å; T15-K17 PolarHBondContact O-N 3.47Å
18I95.2Very high95.3Very high38 Ų3854 Ų5420%0.19527%0.272CS..Hα-helixtrans-106.60.1-176.863.9168.8000113L10 T15 K16 S20 F21 I22 V382 L387L10-I18 HydrophobicContact CD1-CD1 3.44Å; L10-I18 VanDerWaalsContact CD1-CD1 3.44Å; L10-I18 HydrophobicContact CD1-CG1 4.47Å; T15-I18 VanDerWaalsContact O-CG1 3.25Å; T15-I18 WeakPolarHBondContact O-CG1 3.48Å; T15-I18 PolarHBondContact O-N 3.47Å; K16-I18 PolarHBondContact O-N 3.22Å; I18-S20 VanDerWaalsContact C-N 3.35Å; I18-S20 PolarHBondContact O-N 3.02Å; I18-F21 WeakPolarHBondContact O-CB 3.44Å; I18-F21 PolarHBondContact O-N 3.49Å; I18-I22 HydrophobicContact CD1-CD1 4.28Å; I18-I22 HydrophobicContact CD1-CG1 4.17Å; I18-I22 HydrophobicContact CG1-CG1 4.26Å; I18-I22 WeakPolarHBondContact O-CG1 3.27Å; I18-I22 PolarHBondContact O-N 2.95Å; I18-V382 HydrophobicContact CD1-CG1 4.07Å; I18-L387 HydrophobicContact CD1-CD1 3.86Å; I18-L387 HydrophobicContact CD1-CD2 3.65Å; I18-L387 HydrophobicContact CD1-CG 4.35Å
19A95.8Very high95.6Very high4 Ų451.5 Ų51.53%0.03325%0.253CS..Hα-helixtrans-53.6-48.3-17200000112.8T15 K16 F21 I22 Q23 P379T15-A19 PolarHBondContact O-N 3.27Å; K16-A19 PolarHBondContact O-N 3.21Å; A19-F21 VanDerWaalsContact C-N 3.34Å; A19-F21 PolarHBondContact O-N 2.93Å; A19-I22 PolarHBondContact O-N 2.93Å; A19-Q23 WeakPolarHBondContact O-CG 3.3Å; A19-Q23 PolarHBondContact O-N 2.59Å; A19-Q23 PolarHBondContact O-OE1 3.15Å; A19-P379 HydrophobicContact CB-CG 4.11Å
20S94.9Very high95.9Very high66 Ų6649.6 Ų49.646%0.46224%0.24SC..Hα-helixtrans-61.2-39.8178.1-56.30000112.9I18 Q23 E24I18-S20 VanDerWaalsContact C-N 3.35Å; I18-S20 PolarHBondContact O-N 3.02Å; S20-Q23 PolarHBondContact O-N 3.38Å; S20-E24 WeakPolarHBondContact O-CB 3.2Å; S20-E24 VanDerWaalsContact O-CG 3.31Å; S20-E24 WeakPolarHBondContact O-CG 3.37Å; S20-E24 PolarHBondContact O-N 3.5Å
21F94.9Very high96.1Very high100 Ų10049.7 Ų49.744%0.43924%0.241SC..Hα-helixtrans-62.7-47.7175.8169.8-94.3000111.4I18 A19 Q23 E24 Q25I18-F21 WeakPolarHBondContact O-CB 3.44Å; I18-F21 PolarHBondContact O-N 3.49Å; A19-F21 VanDerWaalsContact C-N 3.34Å; A19-F21 PolarHBondContact O-N 2.93Å; F21-Q23 VanDerWaalsContact C-N 3.3Å; F21-Q23 PolarHBondContact O-N 3.18Å; F21-E24 PolarHBondContact O-N 2.99Å; F21-Q25 HydrophobicContact CD1-CG 4.39Å; F21-Q25 HydrophobicContact CD2-CG 4.08Å; F21-Q25 HydrophobicContact CE1-CG 4Å; F21-Q25 HydrophobicContact CE2-CG 3.68Å; F21-Q25 HydrophobicContact CG-CG 4.43Å; F21-Q25 HydrophobicContact CZ-CG 3.63Å; F21-Q25 WeakPolarHBondContact O-CG 3.48Å; F21-Q25 PolarHBondContact O-N 3.33Å
22I94.9Very high96.1Very high0 Ų049.6 Ų49.60%024%0.24CC..Hα-helixtrans-59.8-43.5178.3-60.2-65.5000110.6I18 A19 G26 P379 V382 L387 N398 T401I18-I22 HydrophobicContact CD1-CD1 4.28Å; I18-I22 HydrophobicContact CD1-CG1 4.17Å; I18-I22 HydrophobicContact CG1-CG1 4.26Å; I18-I22 WeakPolarHBondContact O-CG1 3.27Å; I18-I22 PolarHBondContact O-N 2.95Å; A19-I22 PolarHBondContact O-N 2.93Å; I22-G26 PolarHBondContact O-N 3.26Å; I22-P379 HydrophobicContact CB-CG 4.13Å; I22-P379 HydrophobicContact CG1-CG 4.37Å; I22-P379 HydrophobicContact CG2-CB 4.11Å; I22-P379 HydrophobicContact CG2-CG 4.13Å; I22-V382 HydrophobicContact CD1-CG1 4.26Å; I22-L387 HydrophobicContact CD1-CD2 3.83Å; I22-N398 WeakPolarHBondContact CD1-OD1 3.36Å; I22-N398 HydrophobicContact CG2-CB 4.11Å; I22-T401 HydrophobicContact CG2-CG2 4.38Å
23Q97Very high96Very high13 Ų1348.5 Ų48.56%0.06124%0.236CC..Hα-helixtrans-63.8-48.6178.4-71.7163.5-32.300111.6A19 S20 F21 Q25 G26 I27 Y354 F375 R377 I402A19-Q23 WeakPolarHBondContact O-CG 3.3Å; A19-Q23 PolarHBondContact O-N 2.59Å; A19-Q23 PolarHBondContact O-OE1 3.15Å; S20-Q23 PolarHBondContact O-N 3.38Å; F21-Q23 VanDerWaalsContact C-N 3.3Å; F21-Q23 PolarHBondContact O-N 3.18Å; Q23-Q25 PolarHBondContact O-N 2.91Å; Q23-G26 PolarHBondContact O-N 3.17Å; Q23-I27 WeakPolarHBondContact O-CG1 3.32Å; Q23-I27 PolarHBondContact O-N 3.12Å; Q23-I27 VanDerWaalsContact O-N 3.08Å; Q23-Y354 HydrophobicContact CB-CE2 3.93Å; Q23-Y354 VanDerWaalsContact CB-OH 3.28Å; Q23-Y354 WeakPolarHBondContact CB-OH 3.47Å; Q23-F375 HydrophobicContact CB-CD1 3.98Å; Q23-F375 HydrophobicContact CG-CD1 4.22Å; Q23-F375 PolarHBondContact NE2-O 2.84Å; Q23-F375 WeakPolarHBondContact O-CD1 3.21Å; Q23-F375 VanDerWaalsContact O-CE1 3.24Å; Q23-F375 WeakPolarHBondContact O-CE1 3.29Å; Q23-R377 PolarHBondContact NE2-O 3.16Å; Q23-I402 HydrophobicContact CG-CD1 4.45Å
24E96.3Very high96Very high94 Ų9446.4 Ų46.444%0.43922%0.219SC..Hα-helixtrans-61.5-43.5178.4-75.2172.7-159.200112.7S20 F21 I27 K28 Y354S20-E24 WeakPolarHBondContact O-CB 3.2Å; S20-E24 VanDerWaalsContact O-CG 3.31Å; S20-E24 WeakPolarHBondContact O-CG 3.37Å; S20-E24 PolarHBondContact O-N 3.5Å; F21-E24 PolarHBondContact O-N 2.99Å; E24-I27 PolarHBondContact O-N 3Å; E24-K28 PolarHBondContact O-N 3Å; E24-Y354 HydrophobicContact CG-CE1 3.94Å
25Q94.4Very high96Very high54 Ų5447.5 Ų47.525%0.25222%0.224SC..Hα-helixtrans-67.4-41.6175.9-64.7-55.9-2700111.4F21 Q23 I27 K28 E29 N398F21-Q25 HydrophobicContact CD1-CG 4.39Å; F21-Q25 HydrophobicContact CD2-CG 4.08Å; F21-Q25 HydrophobicContact CE1-CG 4Å; F21-Q25 HydrophobicContact CE2-CG 3.68Å; F21-Q25 HydrophobicContact CG-CG 4.43Å; F21-Q25 HydrophobicContact CZ-CG 3.63Å; F21-Q25 WeakPolarHBondContact O-CG 3.48Å; F21-Q25 PolarHBondContact O-N 3.33Å; Q23-Q25 PolarHBondContact O-N 2.91Å; Q25-I27 VanDerWaalsContact C-N 3.26Å; Q25-I27 PolarHBondContact O-N 2.94Å; Q25-K28 WeakPolarHBondContact O-CA 3.24Å; Q25-K28 WeakPolarHBondContact O-CB 3.37Å; Q25-K28 PolarHBondContact O-N 3.31Å; Q25-E29 WeakPolarHBondContact O-CG 3.27Å; Q25-E29 PolarHBondContact O-N 2.92Å; Q25-N398 HydrophobicContact CB-CB 4.24Å
26G95.8Very high95.9Very high0 Ų052.1 Ų52.10%024%0.244CC..Hα-helixtrans-60.2-32.8177.500000113.5I22 Q23 F30I22-G26 PolarHBondContact O-N 3.26Å; Q23-G26 PolarHBondContact O-N 3.17Å; G26-F30 WeakPolarHBondContact O-CB 3.35Å; G26-F30 PolarHBondContact O-N 3.02Å
27I97.9Very high95.8Very high2 Ų247 Ų471%0.0122%0.222CC..Hα-helixtrans-66.9-42.8172-66.3-62.8000111.5Q23 E24 Q25 F30 L31 Y354 T357 L358 V371 F375Q23-I27 WeakPolarHBondContact O-CG1 3.32Å; Q23-I27 PolarHBondContact O-N 3.12Å; Q23-I27 VanDerWaalsContact O-N 3.08Å; E24-I27 PolarHBondContact O-N 3Å; Q25-I27 VanDerWaalsContact C-N 3.26Å; Q25-I27 PolarHBondContact O-N 2.94Å; I27-F30 PolarHBondContact O-N 3.42Å; I27-L31 PolarHBondContact O-N 3.45Å; I27-Y354 HydrophobicContact CD1-CD2 4.44Å; I27-Y354 HydrophobicContact CD1-CG 4.21Å; I27-Y354 HydrophobicContact CG1-CD1 4.05Å; I27-Y354 HydrophobicContact CG1-CD2 4.2Å; I27-Y354 HydrophobicContact CG1-CG 3.8Å; I27-T357 HydrophobicContact CG2-CG2 3.86Å; I27-L358 HydrophobicContact CD1-CD1 4.2Å; I27-L358 HydrophobicContact CG2-CD2 4.15Å; I27-L358 HydrophobicContact CG2-CG 4.13Å; I27-V371 HydrophobicContact CD1-CG1 3.94Å; I27-F375 HydrophobicContact CD1-CB 4.26Å; I27-F375 HydrophobicContact CD1-CD1 3.84Å; I27-F375 HydrophobicContact CD1-CD2 3.88Å; I27-F375 HydrophobicContact CD1-CE1 4.1Å; I27-F375 HydrophobicContact CD1-CE2 4.13Å; I27-F375 HydrophobicContact CD1-CG 3.72Å; I27-F375 HydrophobicContact CD1-CZ 4.23Å; I27-F375 HydrophobicContact CG1-CD1 3.9Å; I27-F375 HydrophobicContact CG1-CE1 4.08Å; I27-F375 HydrophobicContact CG1-CG 4.27Å
28K96.1Very high95.7Very high109 Ų10941 Ų4147%0.47420%0.198SC..Hα-helixtrans-64.9-40.9176.1-65.3172.5-172167.70111.8E24 Q25 F30 L31 L32E24-K28 PolarHBondContact O-N 3Å; Q25-K28 WeakPolarHBondContact O-CA 3.24Å; Q25-K28 WeakPolarHBondContact O-CB 3.37Å; Q25-K28 PolarHBondContact O-N 3.31Å; K28-F30 VanDerWaalsContact C-N 3.35Å; K28-L31 WeakPolarHBondContact O-CB 3.38Å; K28-L31 PolarHBondContact O-N 3.07Å; K28-L32 PolarHBondContact O-N 3.44Å
29E95.5Very high95.5Very high14 Ų1443.5 Ų43.57%0.06522%0.22CC..Hα-helixtrans-63.8-39.4175.4-70.7177.1-178.300112Q25 L32 L33 T395 V396 E397 N398 F399Q25-E29 WeakPolarHBondContact O-CG 3.27Å; Q25-E29 PolarHBondContact O-N 2.92Å; E29-L32 WeakPolarHBondContact O-CB 3.38Å; E29-L32 PolarHBondContact O-N 3.37Å; E29-L33 WeakPolarHBondContact O-CB 3.31Å; E29-L33 PolarHBondContact O-N 3.18Å; E29-T395 VanDerWaalsContact CG-O 3.29Å; E29-T395 WeakPolarHBondContact CG-O 3.14Å; E29-V396 HydrophobicContact CB-CG1 4.33Å; E29-V396 WeakPolarHBondContact OE2-CA 3.18Å; E29-E397 PolarHBondContact OE2-N 3.32Å; E29-N398 WeakPolarHBondContact OE1-CB 3.2Å; E29-N398 PolarHBondContact OE1-ND2 3.13Å; E29-N398 WeakPolarHBondContact OE2-CA 3.48Å; E29-N398 VanDerWaalsContact OE2-CB 3.3Å; E29-N398 WeakPolarHBondContact OE2-CB 3.35Å; E29-N398 PolarHBondContact OE2-N 3.02Å; E29-F399 HydrophobicContact CB-CB 4.16Å; E29-F399 PolarHBondContact OE2-N 3.48Å
30F97.3Very high95.4Very high2 Ų245.9 Ų45.91%0.00923%0.228CC..Hα-helixtrans-61.9-44.2172.2177.9-94.4000111.5G26 I27 K28 L32 L33 Y34 L358 V363 L367 V371 F399 P414G26-F30 WeakPolarHBondContact O-CB 3.35Å; G26-F30 PolarHBondContact O-N 3.02Å; I27-F30 PolarHBondContact O-N 3.42Å; K28-F30 VanDerWaalsContact C-N 3.35Å; F30-L32 PolarHBondContact O-N 3.44Å; F30-L33 PolarHBondContact O-N 3Å; F30-Y34 HydrophobicContact CE1-CG 4.47Å; F30-Y34 HydrophobicContact CZ-CD2 4.37Å; F30-Y34 VanDerWaalsContact O-CB 3.26Å; F30-Y34 WeakPolarHBondContact O-CB 3.39Å; F30-Y34 PolarHBondContact O-N 3.17Å; F30-L358 HydrophobicContact CD1-CD2 3.46Å; F30-L358 VanDerWaalsContact CD1-CD2 3.46Å; F30-L358 HydrophobicContact CE1-CD2 3.91Å; F30-V363 HydrophobicContact CE1-CG1 4.28Å; F30-V363 HydrophobicContact CE1-CG2 4Å; F30-L367 HydrophobicContact CZ-CD1 4.43Å; F30-L367 HydrophobicContact CZ-CD2 4.27Å; F30-L367 HydrophobicContact CZ-CG 4.27Å; F30-V371 HydrophobicContact CD1-CG1 4.21Å; F30-V371 HydrophobicContact CD1-CG2 4.29Å; F30-V371 HydrophobicContact CD2-CG1 4.48Å; F30-V371 HydrophobicContact CD2-CG2 4.22Å; F30-V371 HydrophobicContact CE1-CG2 3.87Å; F30-V371 HydrophobicContact CE2-CG2 3.78Å; F30-V371 HydrophobicContact CG-CG1 4.15Å; F30-V371 HydrophobicContact CG-CG2 4.45Å; F30-V371 HydrophobicContact CZ-CG2 3.6Å; F30-F399 HydrophobicContact CB-CD2 3.81Å; F30-F399 HydrophobicContact CB-CE2 4.15Å; F30-F399 HydrophobicContact CB-CG 4.44Å; F30-F399 HydrophobicContact CD2-CD2 4.04Å; F30-F399 AromaticContact CD2-CE2 3.52Å; F30-F399 HydrophobicContact CD2-CE2 3.52Å; F30-F399 AromaticContact CD2-CZ 3.84Å; F30-F399 HydrophobicContact CD2-CZ 3.84Å; F30-F399 HydrophobicContact CE2-CE2 4.37Å; F30-F399 HydrophobicContact CE2-CZ 4.44Å; F30-F399 HydrophobicContact CG-CD2 4.35Å; F30-F399 HydrophobicContact CG-CE2 4.19Å; F30-P414 HydrophobicContact CE2-CG 4.32Å
31L97.5Very high95.2Very high21 Ų2147.6 Ų47.611%0.1123%0.23CC..Hα-helixtrans-59.7-45.5175.9-76.6174000111.8I27 K28 L33 Y34 H35 T357 L358 V363I27-L31 PolarHBondContact O-N 3.45Å; K28-L31 WeakPolarHBondContact O-CB 3.38Å; K28-L31 PolarHBondContact O-N 3.07Å; L31-L33 PolarHBondContact O-N 2.98Å; L31-Y34 PolarHBondContact O-N 2.85Å; L31-H35 WeakPolarHBondContact O-CB 3.41Å; L31-H35 PolarHBondContact O-N 2.92Å; L31-H35 PolarHBondContact O-ND1 3.49Å; L31-T357 HydrophobicContact CD1-CG2 4.04Å; L31-L358 HydrophobicContact CD2-CD2 4.1Å; L31-L358 HydrophobicContact CG-CD2 4.18Å; L31-V363 HydrophobicContact CD2-CG2 3.59Å
32L95.5Very high94.9Very high49 Ų4945.7 Ų45.726%0.25722%0.221SC..Hα-helixtrans-55.2-50.6174.4174.866000111.5K28 E29 F30 K36 E394 L417K28-L32 PolarHBondContact O-N 3.44Å; E29-L32 WeakPolarHBondContact O-CB 3.38Å; E29-L32 PolarHBondContact O-N 3.37Å; F30-L32 PolarHBondContact O-N 3.44Å; L32-K36 HydrophobicContact CD1-CD 4.22Å; L32-K36 WeakPolarHBondContact O-CG 3.48Å; L32-K36 PolarHBondContact O-N 3.34Å; L32-E394 HydrophobicContact CD2-CB 4.01Å; L32-E394 HydrophobicContact CD2-CG 3.99Å; L32-L417 HydrophobicContact CD2-CD1 4.38Å
33L95.2Very high94.3Very high1 Ų153.4 Ų53.41%0.00526%0.257CS..Hα-helixtrans-60.9-47.5178.2-173.4160000110.7E29 F30 L31 K36 L37 V396 P414 P415 W423E29-L33 WeakPolarHBondContact O-CB 3.31Å; E29-L33 PolarHBondContact O-N 3.18Å; F30-L33 PolarHBondContact O-N 3Å; L31-L33 PolarHBondContact O-N 2.98Å; L33-K36 PolarHBondContact O-N 3.28Å; L33-L37 HydrophobicContact CD2-CD1 4.39Å; L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 VanDerWaalsContact O-CB 3.31Å; L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 2.82Å; L33-V396 HydrophobicContact CB-CG1 4.26Å; L33-V396 HydrophobicContact CD1-CG1 4.06Å; L33-P414 HydrophobicContact CD1-CB 3.95Å; L33-P414 HydrophobicContact CD2-CB 3.44Å; L33-P414 VanDerWaalsContact CD2-CB 3.44Å; L33-P414 HydrophobicContact CG-CB 4.39Å; L33-P415 VanDerWaalsContact CD1-O 3.31Å; L33-P415 WeakPolarHBondContact CD1-O 3.41Å; L33-W423 HydrophobicContact CD2-CH2 4.4Å
34Y96.4Very high93.6Very high27 Ų2756.3 Ų56.311%0.10628%0.276CS..Hα-helixtrans-61.5-48.9-178.6-179.1-100.2000111.5F30 L31 K36 L37 N38 I259 V363 L367 W423F30-Y34 HydrophobicContact CE1-CG 4.47Å; F30-Y34 HydrophobicContact CZ-CD2 4.37Å; F30-Y34 VanDerWaalsContact O-CB 3.26Å; F30-Y34 WeakPolarHBondContact O-CB 3.39Å; F30-Y34 PolarHBondContact O-N 3.17Å; L31-Y34 PolarHBondContact O-N 2.85Å; Y34-K36 VanDerWaalsContact C-N 3.28Å; Y34-K36 PolarHBondContact O-N 3.47Å; Y34-L37 PolarHBondContact O-N 2.71Å; Y34-N38 HydrophobicContact CD1-CB 4.47Å; Y34-N38 HydrophobicContact CD2-CB 3.94Å; Y34-N38 HydrophobicContact CE1-CB 4.28Å; Y34-N38 HydrophobicContact CE2-CB 3.72Å; Y34-N38 HydrophobicContact CG-CB 4.31Å; Y34-N38 WeakPolarHBondContact O-CB 3.18Å; Y34-N38 VanDerWaalsContact O-CG 3.31Å; Y34-N38 PolarHBondContact O-N 2.99Å; Y34-N38 PolarHBondContact O-ND2 3.33Å; Y34-I259 HydrophobicContact CD2-CD1 4.36Å; Y34-I259 HydrophobicContact CE2-CD1 3.82Å; Y34-V363 HydrophobicContact CD1-CG2 3.77Å; Y34-V363 HydrophobicContact CE1-CB 4.44Å; Y34-V363 HydrophobicContact CE1-CG2 3.96Å; Y34-V363 HydrophobicContact CG-CG2 4.15Å; Y34-L367 HydrophobicContact CD2-CD2 4.08Å; Y34-L367 HydrophobicContact CE2-CD2 3.66Å; Y34-W423 HydrophobicContact CD2-CH2 4.35Å
35H95.9Very high93.2Very high105 Ų10553.2 Ų53.249%0.48626%0.262SS..Hα-helixtrans-59.8-39.2178.7-67.9160.7000112.8L31 G361L31-H35 WeakPolarHBondContact O-CB 3.41Å; L31-H35 PolarHBondContact O-N 2.92Å; L31-H35 PolarHBondContact O-ND1 3.49Å; H35-G361 PolarHBondContact NE2-O 2.88Å
36K94.7Very high93.1Very high96 Ų9654.9 Ų54.942%0.41727%0.269SS..Hα-helixtrans-73-36.6179.2-73-171.6175-155.30112.9L32 L33 Y34 E394 L417L32-K36 HydrophobicContact CD1-CD 4.22Å; L32-K36 WeakPolarHBondContact O-CG 3.48Å; L32-K36 PolarHBondContact O-N 3.34Å; L33-K36 PolarHBondContact O-N 3.28Å; Y34-K36 VanDerWaalsContact C-N 3.28Å; Y34-K36 PolarHBondContact O-N 3.47Å; K36-E394 WeakPolarHBondContact CE-OE1 3.46Å; K36-E394 IonicContact NZ-OE1 3.86Å; K36-E394 PolarHBondContact NZ-OE1 2.94Å; K36-E394 IonicContact NZ-OE2 3.63Å; K36-E394 PolarHBondContact NZ-OE2 2.94Å; K36-L417 HydrophobicContact CD-CD2 4.21Å
37L95.1Very high93.1Very high13 Ų1355.2 Ų55.27%0.06827%0.27CS..Hα-helixtrans-123.4-1.5-159.7-52.4-176.8000114.7L33 Y34 S39 R40 P415 L417 W423L33-L37 HydrophobicContact CD2-CD1 4.39Å; L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 VanDerWaalsContact O-CB 3.31Å; L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 2.82Å; Y34-L37 PolarHBondContact O-N 2.71Å; L37-S39 VanDerWaalsContact C-N 3.27Å; L37-S39 PolarHBondContact O-N 3.49Å; L37-R40 VanDerWaalsContact CD2-CZ 3.46Å; L37-R40 WeakPolarHBondContact O-CB 3.41Å; L37-R40 PolarHBondContact O-N 3.36Å; L37-R40 VanDerWaalsContact O-N 3.08Å; L37-P415 HydrophobicContact CB-CB 4.46Å; L37-P415 HydrophobicContact CB-CG 4.19Å; L37-P415 HydrophobicContact CD1-CB 3.77Å; L37-P415 HydrophobicContact CD1-CG 4.38Å; L37-P415 WeakPolarHBondContact CD1-O 3.39Å; L37-L417 HydrophobicContact CD1-CD2 4.29Å; L37-W423 PolarHBondContact O-NE1 2.94Å
38N93.3Very high92.9Very high52 Ų5255.8 Ų55.828%0.27828%0.276SS..THydrogen-bonded Turntrans-59.2-37.7178.566.556.5000112.7Y34 R40Y34-N38 HydrophobicContact CD1-CB 4.47Å; Y34-N38 HydrophobicContact CD2-CB 3.94Å; Y34-N38 HydrophobicContact CE1-CB 4.28Å; Y34-N38 HydrophobicContact CE2-CB 3.72Å; Y34-N38 HydrophobicContact CG-CB 4.31Å; Y34-N38 WeakPolarHBondContact O-CB 3.18Å; Y34-N38 VanDerWaalsContact O-CG 3.31Å; Y34-N38 PolarHBondContact O-N 2.99Å; Y34-N38 PolarHBondContact O-ND2 3.33Å; N38-R40 PolarHBondContact O-N 3.47Å
39S92.3Very high93Very high92 Ų9250.6 Ų50.664%0.64325%0.254SS*.THydrogen-bonded Turntrans-833.6-179.861.10000113.3L37 M41L37-S39 VanDerWaalsContact C-N 3.27Å; L37-S39 PolarHBondContact O-N 3.49Å; S39-M41 PolarHBondContact O-N 2.81Å
40R92.3Very high93.1Very high54 Ų5451.2 Ų51.220%0.20426%0.257CS..  trans-66.5117.4-178.6-179.4169.6-75.4-166.4-4.8110.6L37 N38 S419 I421L37-R40 VanDerWaalsContact CD2-CZ 3.46Å; L37-R40 WeakPolarHBondContact O-CB 3.41Å; L37-R40 PolarHBondContact O-N 3.36Å; L37-R40 VanDerWaalsContact O-N 3.08Å; N38-R40 PolarHBondContact O-N 3.47Å; R40-S419 PolarHBondContact NH1-O 3.49Å; R40-S419 PolarHBondContact NH2-O 2.85Å; R40-S419 VanDerWaalsContact NH2-O 3.15Å; R40-I421 VanDerWaalsContact CD-O 3.25Å; R40-I421 WeakPolarHBondContact CD-O 3.25Å; R40-I421 PolarHBondContact NH1-O 3.49Å
41M90.8Very high93.1Very high102 Ų10251.1 Ų51.150%0.50226%0.256SS..  trans-106.7146.3171.5-61.6-172.274.500112.2S39 C257 C258S39-M41 PolarHBondContact O-N 2.81Å; M41-C257 CarbonylContact C-O 3.53Å; M41-C257 VanDerWaalsContact CA-O 3.24Å; M41-C257 WeakPolarHBondContact CA-O 3.31Å; M41-C258 HydrophobicContact CG-CB 4.34Å
42K89.4Confident93.2Very high60 Ų6050.4 Ų50.426%0.26125%0.252SS..  trans-137.9126.2173.9-63.8-67.4163.3175.60109.1C257 S420K42-C257 PolarHBondContact N-O 2.83Å; K42-C257 WeakPolarHBondContact O-CA 3.11Å; K42-C257 VanDerWaalsContact O-CB 3.32Å; K42-C257 WeakPolarHBondContact O-CB 3.43Å; K42-S420 WeakPolarHBondContact CE-O 3.4Å; K42-S420 PolarHBondContact NZ-O 2.74Å
43H82.1Confident93.3Very high161 Ų16148.1 Ų48.175%0.74524%0.24SC*.  trans-94.1-6.5-177.4-56.2-67.8000113.5
44T82.5Confident93.5Very high75 Ų7548.2 Ų48.246%0.4624%0.241SC..SBendtrans-108.6120.1-178.8-48.40000109.8K46 R110 Q255T44-K46 PolarHBondContact O-N 2.87Å; T44-R110 HydrophobicContact CG2-CB 4.32Å; T44-Q255 PolarHBondContact O-NE2 3.39Å
45L87.1Confident93.6Very high28 Ų2846.9 Ų46.915%0.14724%0.236CC..  trans-61.1124.5167.3177.966.3000109R110 F254 R451L45-R110 HydrophobicContact CB-CB 4.17Å; L45-F254 HydrophobicContact CD1-CB 4.24Å; L45-R451 HydrophobicContact CD2-CG 4.5Å
46K92.4Very high93.7Very high90 Ų9041.9 Ų41.939%0.39121%0.212SC..  trans-126.1139170-72.1-173.4175.3-170.70108.2T44 P107 F108 F254 Q255T44-K46 PolarHBondContact O-N 2.87Å; K46-P107 HydrophobicContact CB-CB 4.1Å; K46-P107 HydrophobicContact CB-CG 4.22Å; K46-P107 HydrophobicContact CD-CG 3.93Å; K46-P107 HydrophobicContact CG-CG 4.35Å; K46-F108 WeakPolarHBondContact CA-O 3.2Å; K46-F254 WeakPolarHBondContact O-CA 3.42Å; K46-Q255 HydrophobicContact CB-CB 4.27Å; K46-Q255 WeakPolarHBondContact O-CB 3.42Å; K46-Q255 PolarHBondContact O-N 3.14Å
47W94.7Very high93.9Very high6 Ų638.4 Ų38.42%0.02320%0.197CC..EExtended strand (participates in β ladder)trans-155.1163.3-177.459.5-83.9000111.5P107 F108 G109 A114 F115 V118 T253 F254 V443 L447W47-P107 CarbonylContact O-C 3.6Å; W47-P107 WeakPolarHBondContact O-CA 3.48Å; W47-P107 WeakPolarHBondContact O-CB 3.26Å; W47-F108 HydrophobicContact CD2-CB 3.73Å; W47-F108 HydrophobicContact CD2-CD2 4.03Å; W47-F108 HydrophobicContact CD2-CG 4.33Å; W47-F108 VanDerWaalsContact CE2-CB 3.48Å; W47-F108 HydrophobicContact CE3-CB 4.05Å; W47-F108 AromaticContact CE3-CD2 3.43Å; W47-F108 HydrophobicContact CE3-CD2 3.43Å; W47-F108 VanDerWaalsContact CE3-CD2 3.43Å; W47-F108 HydrophobicContact CE3-CE2 4.27Å; W47-F108 HydrophobicContact CE3-CG 4.14Å; W47-F108 HydrophobicContact CG-CB 4.3Å; W47-F108 HydrophobicContact CH2-CB 4.15Å; W47-F108 AromaticContact CH2-CD2 3.88Å; W47-F108 HydrophobicContact CH2-CD2 3.88Å; W47-F108 HydrophobicContact CH2-CG 4.12Å; W47-F108 HydrophobicContact CZ2-CB 3.75Å; W47-F108 HydrophobicContact CZ2-CD2 4.33Å; W47-F108 HydrophobicContact CZ2-CG 4.2Å; W47-F108 HydrophobicContact CZ3-CB 4.23Å; W47-F108 AromaticContact CZ3-CD2 3.32Å; W47-F108 HydrophobicContact CZ3-CD2 3.32Å; W47-F108 AromaticContact CZ3-CE2 3.88Å; W47-F108 HydrophobicContact CZ3-CE2 3.88Å; W47-F108 HydrophobicContact CZ3-CG 4.01Å; W47-F108 PolarHBondContact N-O 3.46Å; W47-F108 PolarHBondContact O-N 2.79Å; W47-G109 PolarHBondContact NE1-O 3.4Å; W47-A114 HydrophobicContact CZ2-CB 4.36Å; W47-F115 HydrophobicContact CH2-CD1 4.1Å; W47-F115 HydrophobicContact CH2-CE1 4.05Å; W47-F115 HydrophobicContact CZ2-CD1 4.11Å; W47-F115 AromaticContact CZ2-CE1 3.89Å; W47-F115 HydrophobicContact CZ2-CE1 3.89Å; W47-F115 HydrophobicContact CZ2-CZ 4.37Å; W47-V118 HydrophobicContact CH2-CG2 3.3Å; W47-V118 HydrophobicContact CZ2-CG2 4.3Å; W47-V118 HydrophobicContact CZ3-CG2 3.88Å; W47-T253 CarbonylContact C-O 3.59Å; W47-T253 WeakPolarHBondContact CA-O 3.23Å; W47-T253 WeakPolarHBondContact CB-O 3.34Å; W47-F254 HydrophobicContact CB-CB 3.63Å; W47-V443 HydrophobicContact CE3-CG1 4.22Å; W47-V443 HydrophobicContact CH2-CG1 4.05Å; W47-V443 HydrophobicContact CZ3-CG1 3.41Å; W47-V443 VanDerWaalsContact CZ3-CG1 3.41Å; W47-L447 HydrophobicContact CB-CD2 3.8Å; W47-L447 HydrophobicContact CD2-CD1 3.35Å; W47-L447 HydrophobicContact CD2-CD2 3.88Å; W47-L447 HydrophobicContact CD2-CG 4.26Å; W47-L447 HydrophobicContact CE3-CD1 3.12Å; W47-L447 HydrophobicContact CE3-CD2 4.19Å; W47-L447 HydrophobicContact CE3-CG 4.26Å; W47-L447 HydrophobicContact CG-CD1 4.14Å; W47-L447 HydrophobicContact CG-CD2 3.76Å; W47-L447 HydrophobicContact CH2-CD1 3.32Å; W47-L447 HydrophobicContact CZ2-CD1 3.64Å; W47-L447 HydrophobicContact CZ3-CD1 3.13Å
48G95.4Very high94.1Very high14 Ų1439.8 Ų39.814%0.14420%0.204CC..EExtended strand (participates in β ladder)trans-159.8151.6179.300000110.7T253G48-T253 PolarHBondContact N-O 2.68Å; G48-T253 PolarHBondContact O-N 3.46Å
49D97.4Very high94.2Very high1 Ų138.3 Ų38.31%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-95151.416868.3-81.9000110.9P104 F108 M122 R125 L250 Q251 V443D49-P104 WeakPolarHBondContact O-CD 3.24Å; D49-F108 WeakPolarHBondContact OD1-CE2 3.39Å; D49-M122 HydrophobicContact CB-CE 4.14Å; D49-M122 VanDerWaalsContact OD2-CE 3.28Å; D49-M122 WeakPolarHBondContact OD2-CE 3.48Å; D49-R125 VanDerWaalsContact CG-NH2 3.32Å; D49-R125 IonicContact OD1-NH2 2.7Å; D49-R125 PolarHBondContact OD1-NH2 3.21Å; D49-R125 VanDerWaalsContact OD1-NH2 3.08Å; D49-R125 IonicContact OD2-CZ 3.47Å; D49-R125 VanDerWaalsContact OD2-CZ 3.22Å; D49-R125 IonicContact OD2-NH1 3.67Å; D49-R125 PolarHBondContact OD2-NH1 3.21Å; D49-R125 IonicContact OD2-NH2 2.6Å; D49-R125 PolarHBondContact OD2-NH2 3.34Å; D49-L250 HydrophobicContact CB-CD1 4.12Å; D49-Q251 CarbonylContact C-O 3.56Å; D49-Q251 VanDerWaalsContact CA-O 3.28Å; D49-Q251 WeakPolarHBondContact CA-O 3.41Å; D49-V443 HydrophobicContact CB-CG2 3.81Å
50E98.1Very high94.3Very high27 Ų2738.2 Ų38.213%0.12619%0.193CC..EExtended strand (participates in β ladder)trans-114.9120.1165.5-48.1-175.9-177.800106.9M1 E101 V103 Q251M1-E50 PolarHBondContact N-OE2 2.9Å; E50-E101 HydrophobicContact CB-CG 4.35Å; E50-V103 HydrophobicContact CB-CG1 3.96Å; E50-V103 HydrophobicContact CG-CG1 3.76Å; E50-Q251 HydrophobicContact CB-CB 4.19Å; E50-Q251 PolarHBondContact N-O 3.48Å; E50-Q251 PolarHBondContact O-N 3.38Å
51I97.4Very high94.5Very high0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-118.1128.2-178.8-153.8178.8000109.7Y53 E101 G102 M122 R125 T141 L432 N439I51-Y53 HydrophobicContact CG2-CD2 4.21Å; I51-Y53 HydrophobicContact CG2-CE2 3.33Å; I51-Y53 WeakPolarHBondContact CG2-OH 3.44Å; I51-E101 CarbonylContact O-C 3.49Å; I51-E101 WeakPolarHBondContact O-CA 3.46Å; I51-G102 PolarHBondContact N-O 3.08Å; I51-G102 VanDerWaalsContact N-O 3.16Å; I51-G102 PolarHBondContact O-N 3.23Å; I51-M122 HydrophobicContact CD1-CE 4.37Å; I51-M122 HydrophobicContact CD1-CG 4.39Å; I51-M122 HydrophobicContact CD1-SD 4.27Å; I51-R125 VanDerWaalsContact CG2-NH1 3.29Å; I51-T141 HydrophobicContact CD1-CG2 3.84Å; I51-T141 HydrophobicContact CG1-CG2 4.16Å; I51-L432 HydrophobicContact CD1-CD1 4.2Å; I51-L432 HydrophobicContact CG1-CD1 3.53Å; I51-N439 HydrophobicContact CD1-CB 4.24Å
52E98.5Very high94.7Very high6 Ų639.5 Ų39.53%0.02822%0.217CC..EExtended strand (participates in β ladder)trans-103.1127.2-177-67.2163.1-161.500109.5E94 M99 E101 S248 C249 Q251 L432E52-E94 HydrophobicContact CG-CG 4.16Å; E52-M99 HydrophobicContact CB-CE 4.1Å; E52-M99 HydrophobicContact CG-CE 4.42Å; E52-E101 HydrophobicContact CG-CB 4.34Å; E52-E101 HydrophobicContact CG-CG 4.29Å; E52-S248 VanDerWaalsContact OE2-C 3.31Å; E52-S248 WeakPolarHBondContact OE2-CA 3.43Å; E52-C249 PolarHBondContact OE1-SG 3.45Å; E52-C249 PolarHBondContact OE2-N 2.91Å; E52-Q251 PolarHBondContact OE1-NE2 3.24Å; E52-L432 WeakPolarHBondContact O-CD2 3.15Å
53Y98.6Very high95Very high0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-104134.1179.6-62.8-92.3000110.3I51 W91 M99 I100 R125 R126 L129 A139 T141I51-Y53 HydrophobicContact CG2-CD2 4.21Å; I51-Y53 HydrophobicContact CG2-CE2 3.33Å; I51-Y53 WeakPolarHBondContact CG2-OH 3.44Å; Y53-W91 HydrophobicContact CD2-CH2 4.23Å; Y53-W91 AromaticContact CD2-CZ3 3.74Å; Y53-W91 HydrophobicContact CD2-CZ3 3.74Å; Y53-W91 AromaticContact CE2-CH2 3.75Å; Y53-W91 HydrophobicContact CE2-CH2 3.75Å; Y53-W91 AromaticContact CE2-CZ3 3.55Å; Y53-W91 HydrophobicContact CE2-CZ3 3.55Å; Y53-M99 VanDerWaalsContact O-CA 3.28Å; Y53-M99 WeakPolarHBondContact O-CA 3.34Å; Y53-I100 PolarHBondContact N-O 3.11Å; Y53-I100 PolarHBondContact O-N 2.86Å; Y53-I100 VanDerWaalsContact O-N 3.08Å; Y53-R125 WeakPolarHBondContact OH-CB 3.19Å; Y53-R126 HydrophobicContact CE1-CB 4.17Å; Y53-R126 HydrophobicContact CE1-CG 4.33Å; Y53-L129 HydrophobicContact CD1-CD2 3.98Å; Y53-L129 HydrophobicContact CD2-CD2 3.94Å; Y53-L129 HydrophobicContact CG-CD2 3.6Å; Y53-A139 HydrophobicContact CD1-CB 4.29Å; Y53-T141 HydrophobicContact CD1-CG2 3.73Å; Y53-T141 HydrophobicContact CE1-CG2 3.77Å; Y53-T141 HydrophobicContact CG-CG2 4.48Å
54T98.7Very high95.7Very high3 Ų335.7 Ų35.72%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-93.9122.2168.8-61.80000109.7V56 L67 Y98 L140 I142 S248T54-V56 HydrophobicContact CG2-CG2 4.05Å; T54-L67 HydrophobicContact CG2-CD2 3.29Å; T54-Y98 WeakPolarHBondContact CA-O 3.37Å; T54-Y98 HydrophobicContact CG2-CD2 4.3Å; T54-L140 PolarHBondContact N-O 2.82Å; T54-L140 PolarHBondContact O-N 3.41Å; T54-I142 HydrophobicContact CG2-CD1 4.18Å; T54-I142 HydrophobicContact CG2-CG1 4.24Å; T54-S248 PolarHBondContact OG1-OG 3.31Å
55L98.8Very high96.4Very high0 Ų032.3 Ų32.30%018%0.182CC..EExtended strand (participates in β ladder)trans-85.6127177.1-50.7-175.9000109.8Y68 A71 L74 Y98 I100 L129 L133 A139L55-Y68 HydrophobicContact CB-CD1 4.17Å; L55-Y68 HydrophobicContact CD1-CD1 4.14Å; L55-Y68 PolarHBondContact O-N 3.21Å; L55-A71 HydrophobicContact CD1-CB 4.04Å; L55-L74 HydrophobicContact CD1-CD2 3.95Å; L55-Y98 PolarHBondContact N-O 2.85Å; L55-I100 HydrophobicContact CD1-CD1 4.09Å; L55-I100 HydrophobicContact CD1-CG1 4.36Å; L55-L129 HydrophobicContact CD2-CD1 4.42Å; L55-L129 HydrophobicContact CD2-CD2 4.15Å; L55-L133 HydrophobicContact CD1-CD2 4.4Å; L55-L133 HydrophobicContact CD2-CD1 4.39Å; L55-L133 HydrophobicContact CD2-CD2 4.15Å; L55-A139 HydrophobicContact CD2-CB 4.39Å
56V98.8Very high97Very high0 Ų031.7 Ų31.70%018%0.179CC..EExtended strand (participates in β ladder)trans-130.6130.8-177.7-174.20000109.6T54 I58 A65 Q66 L67 C137 I138 L140 F145 I641T54-V56 HydrophobicContact CG2-CG2 4.05Å; V56-I58 HydrophobicContact CG1-CD1 4.17Å; V56-A65 HydrophobicContact CG1-CB 4.1Å; V56-Q66 CarbonylContact C-O 3.6Å; V56-Q66 WeakPolarHBondContact CA-O 3.48Å; V56-Q66 VanDerWaalsContact CG1-O 3.32Å; V56-Q66 WeakPolarHBondContact CG1-O 3.46Å; V56-L67 HydrophobicContact CG2-CD2 4.27Å; V56-C137 CarbonylContact O-C 3.59Å; V56-C137 VanDerWaalsContact O-CA 3.26Å; V56-C137 WeakPolarHBondContact O-CA 3.45Å; V56-I138 HydrophobicContact CB-CD1 4.34Å; V56-I138 HydrophobicContact CB-CG1 3.84Å; V56-I138 PolarHBondContact N-O 3.11Å; V56-I138 WeakPolarHBondContact O-CG1 3.41Å; V56-I138 PolarHBondContact O-N 3.26Å; V56-L140 HydrophobicContact CG2-CD1 4.17Å; V56-F145 HydrophobicContact CG1-CE2 4.47Å; V56-I641 HydrophobicContact CG1-CG2 4.05Å
57R98.4Very high97.3Very high22 Ų2227.4 Ų27.48%0.08316%0.16CC..EExtended strand (participates in β ladder)trans-88.5133.8166.4-178.6-176.9172.8-110.2-2.8109.7D59 A65 Q66 D136R57-D59 IonicContact CZ-OD2 2.88Å; R57-D59 VanDerWaalsContact CZ-OD2 3.24Å; R57-D59 IonicContact NH1-OD2 3.41Å; R57-D59 PolarHBondContact NH1-OD2 3.04Å; R57-D59 IonicContact NH2-OD2 3.65Å; R57-D59 PolarHBondContact NH2-OD2 3.28Å; R57-A65 WeakPolarHBondContact O-CA 3.42Å; R57-Q66 PolarHBondContact N-O 3.27Å; R57-Q66 PolarHBondContact O-N 2.71Å; R57-D136 CarbonylContact C-O 3.5Å; R57-D136 WeakPolarHBondContact CA-O 3.41Å; R57-D136 WeakPolarHBondContact CD-OD2 3.46Å; R57-D136 WeakPolarHBondContact CG-OD2 3.47Å; R57-D136 IonicContact CZ-OD2 2.81Å; R57-D136 IonicContact NE-OD2 3.24Å; R57-D136 PolarHBondContact NE-OD2 3.3Å; R57-D136 IonicContact NH2-OD2 3.28Å
58I98Very high97.5Very high43 Ų4328.7 Ų28.722%0.22117%0.165CC..EExtended strand (participates in β ladder)trans-102.5107.2167-53-57.2000107.1V56 P60 A65 D136 I138 I641V56-I58 HydrophobicContact CG1-CD1 4.17Å; I58-P60 WeakPolarHBondContact O-CD 3.31Å; I58-A65 HydrophobicContact CD1-CB 3.93Å; I58-D136 PolarHBondContact N-O 3.1Å; I58-I138 HydrophobicContact CD1-CD1 4.21Å; I58-I138 HydrophobicContact CG1-CD1 4.35Å; I58-I641 HydrophobicContact CD1-CG2 4.14Å
59D96.9Very high97.6Very high21 Ų2129 Ų2911%0.11216%0.163CC..  trans-57.6122.8-177.7-175.5-82.9000110.8R57 S61 T62 H63 A64R57-D59 IonicContact CZ-OD2 2.88Å; R57-D59 VanDerWaalsContact CZ-OD2 3.24Å; R57-D59 IonicContact NH1-OD2 3.41Å; R57-D59 PolarHBondContact NH1-OD2 3.04Å; R57-D59 IonicContact NH2-OD2 3.65Å; R57-D59 PolarHBondContact NH2-OD2 3.28Å; D59-S61 PolarHBondContact O-N 3.23Å; D59-S61 VanDerWaalsContact O-N 3.13Å; D59-S61 WeakPolarHBondContact OD1-CA 3.47Å; D59-S61 WeakPolarHBondContact OD1-CB 3.48Å; D59-S61 PolarHBondContact OD1-N 2.92Å; D59-S61 PolarHBondContact OD1-OG 2.95Å; D59-T62 VanDerWaalsContact CB-OG1 3.28Å; D59-T62 WeakPolarHBondContact CB-OG1 3.21Å; D59-T62 VanDerWaalsContact CG-OG1 3.23Å; D59-T62 PolarHBondContact OD1-N 2.67Å; D59-T62 PolarHBondContact OD1-OG1 3.32Å; D59-H63 WeakPolarHBondContact O-CA 3.16Å; D59-H63 PolarHBondContact O-N 2.89Å; D59-A64 HydrophobicContact CB-CB 4.26Å; D59-A64 PolarHBondContact N-O 3Å
60P94.9Very high97.6Very high89 Ų8929.1 Ų29.158%0.57816%0.164SC*.THydrogen-bonded Turntrans-64-21.5-174.7-2635000114.7I58 D136I58-P60 WeakPolarHBondContact O-CD 3.31Å; P60-D136 HydrophobicContact CG-CB 3.92Å
61S95.1Very high97.6Very high99 Ų9927.9 Ų27.969%0.69216%0.159SC*.THydrogen-bonded Turntrans-97.5-40.9-174.669.50000113.1D59D59-S61 PolarHBondContact O-N 3.23Å; D59-S61 VanDerWaalsContact O-N 3.13Å; D59-S61 WeakPolarHBondContact OD1-CA 3.47Å; D59-S61 WeakPolarHBondContact OD1-CB 3.48Å; D59-S61 PolarHBondContact OD1-N 2.92Å; D59-S61 PolarHBondContact OD1-OG 2.95Å
62T95.1Very high97.6Very high85 Ų8528.1 Ų28.152%0.52116%0.16SC..THydrogen-bonded Turntrans-104.8-12.7-175.758.10000112.8D59 A64D59-T62 VanDerWaalsContact CB-OG1 3.28Å; D59-T62 WeakPolarHBondContact CB-OG1 3.21Å; D59-T62 VanDerWaalsContact CG-OG1 3.23Å; D59-T62 PolarHBondContact OD1-N 2.67Å; D59-T62 PolarHBondContact OD1-OG1 3.32Å; T62-A64 PolarHBondContact O-N 3.41Å; T62-A64 WeakPolarHBondContact OG1-CB 3.34Å; T62-A64 PolarHBondContact OG1-N 3.15Å
63H95.4Very high97.4Very high127 Ų12734.4 Ų34.459%0.58819%0.19SC*.  trans58.714.7-168.8-57.6-60.8000114.3D59 A65 S638D59-H63 WeakPolarHBondContact O-CA 3.16Å; D59-H63 PolarHBondContact O-N 2.89Å; H63-A65 PolarHBondContact O-N 3.08Å; H63-S638 WeakPolarHBondContact O-CB 3.44Å
64A96.9Very high97.3Very high14 Ų1434.7 Ų34.712%0.11619%0.191CC..  trans-64.3128177.400000110.7D59 T62 S638D59-A64 HydrophobicContact CB-CB 4.26Å; D59-A64 PolarHBondContact N-O 3Å; T62-A64 PolarHBondContact O-N 3.41Å; T62-A64 WeakPolarHBondContact OG1-CB 3.34Å; T62-A64 PolarHBondContact OG1-N 3.15Å; A64-S638 WeakPolarHBondContact CA-OG 3.2Å
65A98.4Very high97.1Very high4 Ų434.7 Ų34.73%0.03319%0.191CC..EExtended strand (participates in β ladder)trans-83.7123.417200000110.8V56 R57 I58 H63 N637 S638 I641V56-A65 HydrophobicContact CG1-CB 4.1Å; R57-A65 WeakPolarHBondContact O-CA 3.42Å; I58-A65 HydrophobicContact CD1-CB 3.93Å; H63-A65 PolarHBondContact O-N 3.08Å; A65-N637 PolarHBondContact O-ND2 3.19Å; A65-S638 PolarHBondContact N-OG 3.15Å; A65-I641 HydrophobicContact CB-CB 3.82Å; A65-I641 HydrophobicContact CB-CG1 4.05Å; A65-I641 HydrophobicContact CB-CG2 3.7Å
66Q98.5Very high96.8Very high15 Ų1539.8 Ų39.87%0.0721%0.213CC..EExtended strand (participates in β ladder)trans-133.1143.6-179.1-54.4-179.4-7100110.2V56 R57 Y68 D152 F153 C154V56-Q66 CarbonylContact C-O 3.6Å; V56-Q66 WeakPolarHBondContact CA-O 3.48Å; V56-Q66 VanDerWaalsContact CG1-O 3.32Å; V56-Q66 WeakPolarHBondContact CG1-O 3.46Å; R57-Q66 PolarHBondContact N-O 3.27Å; R57-Q66 PolarHBondContact O-N 2.71Å; Q66-Y68 PolarHBondContact O-N 3.43Å; Q66-D152 PolarHBondContact NE2-O 2.78Å; Q66-F153 CarbonylContact C-O 3.47Å; Q66-F153 WeakPolarHBondContact CA-O 3.5Å; Q66-C154 PolarHBondContact NE2-O 3.48Å
67L98.8Very high96.5Very high0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-64126172.5-69.4177.6000110.9T54 V56 L69 Y98 F145 L148 F153 C154 Y155T54-L67 HydrophobicContact CG2-CD2 3.29Å; V56-L67 HydrophobicContact CG2-CD2 4.27Å; L67-L69 PolarHBondContact O-N 3.36Å; L67-Y98 HydrophobicContact CB-CD1 3.95Å; L67-Y98 HydrophobicContact CB-CG 3.88Å; L67-Y98 HydrophobicContact CD1-CD1 3.78Å; L67-Y98 HydrophobicContact CD1-CD2 3.86Å; L67-Y98 HydrophobicContact CD1-CE1 3.67Å; L67-Y98 HydrophobicContact CD1-CE2 3.77Å; L67-Y98 HydrophobicContact CD1-CG 3.88Å; L67-Y98 HydrophobicContact CD2-CD2 3.92Å; L67-Y98 HydrophobicContact CD2-CE2 4.45Å; L67-Y98 HydrophobicContact CD2-CG 4.11Å; L67-Y98 HydrophobicContact CG-CD1 4.38Å; L67-Y98 HydrophobicContact CG-CD2 4.34Å; L67-Y98 HydrophobicContact CG-CG 4.19Å; L67-F145 HydrophobicContact CD1-CB 3.97Å; L67-F145 HydrophobicContact CD1-CD1 3.91Å; L67-F145 HydrophobicContact CD1-CG 3.95Å; L67-F145 HydrophobicContact CD2-CB 3.99Å; L67-F145 HydrophobicContact CD2-CD1 4.33Å; L67-F145 HydrophobicContact CD2-CD2 3.68Å; L67-F145 HydrophobicContact CD2-CE2 4.2Å; L67-F145 HydrophobicContact CD2-CG 3.75Å; L67-F145 HydrophobicContact CG-CB 4.24Å; L67-F145 HydrophobicContact CG-CD1 3.85Å; L67-F145 HydrophobicContact CG-CD2 4.05Å; L67-F145 HydrophobicContact CG-CE1 4.16Å; L67-F145 HydrophobicContact CG-CE2 4.34Å; L67-F145 HydrophobicContact CG-CG 3.79Å; L67-F145 HydrophobicContact CG-CZ 4.39Å; L67-L148 HydrophobicContact CD1-CD1 3.74Å; L67-F153 HydrophobicContact CD1-CD2 3.76Å; L67-F153 HydrophobicContact CD1-CE2 3.85Å; L67-F153 HydrophobicContact CG-CD2 4.38Å; L67-F153 PolarHBondContact N-O 3.4Å; L67-C154 HydrophobicContact CB-CB 4.26Å; L67-C154 CarbonylContact O-C 3.58Å; L67-C154 VanDerWaalsContact O-CA 3.22Å; L67-C154 WeakPolarHBondContact O-CA 3.33Å; L67-C154 WeakPolarHBondContact O-CB 3.44Å; L67-Y155 PolarHBondContact O-N 3.29Å
68Y98.7Very high96.1Very high32 Ų3242.9 Ų42.913%0.12523%0.231CC..EExtended strand (participates in β ladder)trans-85.2111-178.2174.8-122.1000110.8L55 Q66 G70 Y98 L133 P134 Y155L55-Y68 HydrophobicContact CB-CD1 4.17Å; L55-Y68 HydrophobicContact CD1-CD1 4.14Å; L55-Y68 PolarHBondContact O-N 3.21Å; Q66-Y68 PolarHBondContact O-N 3.43Å; Y68-G70 VanDerWaalsContact C-N 3.26Å; Y68-G70 PolarHBondContact O-N 2.85Å; Y68-Y98 VanDerWaalsContact O-CA 3.26Å; Y68-Y98 WeakPolarHBondContact O-CA 3.47Å; Y68-Y98 WeakPolarHBondContact O-CB 3.26Å; Y68-L133 HydrophobicContact CD1-CD2 4.25Å; Y68-L133 HydrophobicContact CE1-CD2 4.32Å; Y68-P134 HydrophobicContact CE1-CG 4.13Å; Y68-P134 HydrophobicContact CE2-CG 4.46Å; Y68-Y155 HydrophobicContact CD2-CD1 4.1Å; Y68-Y155 HydrophobicContact CE2-CD1 4.39Å
69L98.4Very high95.6Very high22 Ų2246.5 Ų46.512%0.11525%0.245CC..  trans-83.665179.8-50-171.8000111.2L67 E97 Y98 C154 Y155 V158 A176L67-L69 PolarHBondContact O-N 3.36Å; L69-E97 CarbonylContact C-O 3.52Å; L69-E97 HydrophobicContact CB-CB 4.32Å; L69-E97 HydrophobicContact CB-CG 3.89Å; L69-E97 HydrophobicContact CD2-CB 4.35Å; L69-Y98 HydrophobicContact CD2-CD1 3.62Å; L69-Y98 HydrophobicContact CD2-CG 4.43Å; L69-C154 HydrophobicContact CD1-CB 4.05Å; L69-C154 HydrophobicContact CD2-CB 3.92Å; L69-C154 HydrophobicContact CG-CB 3.94Å; L69-Y155 PolarHBondContact N-O 3.25Å; L69-V158 HydrophobicContact CD1-CG2 3.58Å; L69-A176 HydrophobicContact CD1-CB 4.37Å; L69-A176 HydrophobicContact CD2-CB 4Å
70G97.5Very high95.1Very high2 Ų252.9 Ų52.92%0.02127%0.274CS..  trans-138.213.8-178.700000114.9Y68 S72 E73 L74 E97Y68-G70 VanDerWaalsContact C-N 3.26Å; Y68-G70 PolarHBondContact O-N 2.85Å; G70-S72 VanDerWaalsContact C-N 3.29Å; G70-S72 PolarHBondContact O-N 2.93Å; G70-E73 PolarHBondContact O-N 3.12Å; G70-L74 VanDerWaalsContact O-CB 3.29Å; G70-L74 WeakPolarHBondContact O-CB 3.45Å; G70-L74 PolarHBondContact O-N 2.97Å; G70-E97 PolarHBondContact N-O 3.06Å
71A97.9Very high94.4Very high1 Ų154.3 Ų54.31%0.00827%0.271CS..Hα-helixtrans-57.8-40.3-177.200000112.6L55 L74 L75 E97 M99 I100L55-A71 HydrophobicContact CD1-CB 4.04Å; A71-L74 PolarHBondContact O-N 3.5Å; A71-L75 WeakPolarHBondContact O-CB 3.34Å; A71-L75 VanDerWaalsContact O-CG 3.23Å; A71-L75 WeakPolarHBondContact O-CG 3.29Å; A71-L75 PolarHBondContact O-N 3.27Å; A71-E97 WeakPolarHBondContact CB-O 3.42Å; A71-E97 PolarHBondContact N-O 2.65Å; A71-E97 PolarHBondContact N-OE1 2.88Å; A71-M99 WeakPolarHBondContact CB-O 3.28Å; A71-I100 HydrophobicContact CB-CD1 4.25Å; A71-I100 HydrophobicContact CB-CG1 3.79Å
72S96.8Very high93Very high5 Ų558.1 Ų58.14%0.03528%0.275CS..Hα-helixtrans-67.1-43.5-178.7-600000112.1G70 K76 E97 T178 Q179 E180G70-S72 VanDerWaalsContact C-N 3.29Å; G70-S72 PolarHBondContact O-N 2.93Å; S72-K76 WeakPolarHBondContact O-CG 3.5Å; S72-K76 PolarHBondContact O-N 2.89Å; S72-E97 WeakPolarHBondContact CB-OE1 3.46Å; S72-E97 PolarHBondContact N-OE1 3.03Å; S72-E97 PolarHBondContact OG-OE1 2.95Å; S72-E97 PolarHBondContact OG-OE2 3.13Å; S72-T178 PolarHBondContact OG-OG1 3.2Å; S72-Q179 PolarHBondContact OG-N 2.91Å; S72-E180 WeakPolarHBondContact OG-CB 3.34Å; S72-E180 PolarHBondContact OG-N 3.5Å
73E95.9Very high91.6Very high138 Ų13856.2 Ų56.265%0.64527%0.265SS*.Hα-helixtrans-64.5-43.8176.1-174.2178175.400110.9G70 L75 K76 L77G70-E73 PolarHBondContact O-N 3.12Å; E73-L75 PolarHBondContact O-N 3.45Å; E73-K76 PolarHBondContact O-N 3.49Å; E73-L77 PolarHBondContact O-N 2.9Å
74L95.5Very high90.2Very high7 Ų757.9 Ų57.94%0.03728%0.278CS..Hα-helixtrans-62.1-43.5178.6-176.256.1000112.2L55 G70 A71 K76 L77 M78 I100 L129 N132 L133L55-L74 HydrophobicContact CD1-CD2 3.95Å; G70-L74 VanDerWaalsContact O-CB 3.29Å; G70-L74 WeakPolarHBondContact O-CB 3.45Å; G70-L74 PolarHBondContact O-N 2.97Å; A71-L74 PolarHBondContact O-N 3.5Å; L74-K76 VanDerWaalsContact C-N 3.33Å; L74-K76 PolarHBondContact O-N 3.2Å; L74-L77 HydrophobicContact CD1-CD2 4.46Å; L74-L77 WeakPolarHBondContact O-CB 3.43Å; L74-L77 PolarHBondContact O-N 3.3Å; L74-M78 HydrophobicContact CD1-CG 4.17Å; L74-M78 HydrophobicContact CD1-SD 4.06Å; L74-M78 HydrophobicContact CG-CG 4.48Å; L74-M78 HydrophobicContact CG-SD 3.91Å; L74-M78 WeakPolarHBondContact O-CB 3.17Å; L74-M78 VanDerWaalsContact O-CG 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.33Å; L74-M78 PolarHBondContact O-N 2.95Å; L74-I100 HydrophobicContact CB-CD1 4.24Å; L74-I100 HydrophobicContact CD2-CD1 3.69Å; L74-I100 HydrophobicContact CG-CD1 3.99Å; L74-L129 HydrophobicContact CD2-CD1 3.63Å; L74-L129 HydrophobicContact CG-CD1 4.37Å; L74-N132 HydrophobicContact CD1-CB 3.67Å; L74-N132 WeakPolarHBondContact CD1-O 3.41Å; L74-L133 HydrophobicContact CD2-CD2 3.45Å; L74-L133 VanDerWaalsContact CD2-CD2 3.45Å; L74-L133 HydrophobicContact CD2-CG 4.07Å
75L94.4Very high88.8Confident2 Ų260.6 Ų60.61%0.0129%0.29CS..Hα-helixtrans-62-39.1176.3-75.8169.1000112.3A71 E73 K79 W91 P93 I100A71-L75 WeakPolarHBondContact O-CB 3.34Å; A71-L75 VanDerWaalsContact O-CG 3.23Å; A71-L75 WeakPolarHBondContact O-CG 3.29Å; A71-L75 PolarHBondContact O-N 3.27Å; E73-L75 PolarHBondContact O-N 3.45Å; L75-K79 WeakPolarHBondContact O-CB 3.4Å; L75-K79 VanDerWaalsContact O-CG 3.23Å; L75-K79 WeakPolarHBondContact O-CG 3.43Å; L75-K79 PolarHBondContact O-N 3.38Å; L75-K79 VanDerWaalsContact O-N 3.08Å; L75-W91 HydrophobicContact CD2-CB 3.75Å; L75-P93 HydrophobicContact CD1-CB 3.7Å; L75-P93 HydrophobicContact CD1-CG 4.45Å; L75-I100 HydrophobicContact CD1-CG1 4.35Å; L75-I100 HydrophobicContact CD2-CD1 4.15Å; L75-I100 HydrophobicContact CD2-CG1 4.32Å; L75-I100 HydrophobicContact CD2-CG2 4.05Å; L75-I100 HydrophobicContact CG-CD1 3.96Å; L75-I100 HydrophobicContact CG-CG1 4.15Å
76K93.4Very high87.2Confident108 Ų10862.1 Ų62.147%0.4730%0.3SS..Hα-helixtrans-63.8-48.4174.1-70174-168.9177.70111S72 E73 L74 M78 K79 E80 E180S72-K76 WeakPolarHBondContact O-CG 3.5Å; S72-K76 PolarHBondContact O-N 2.89Å; E73-K76 PolarHBondContact O-N 3.49Å; L74-K76 VanDerWaalsContact C-N 3.33Å; L74-K76 PolarHBondContact O-N 3.2Å; K76-M78 VanDerWaalsContact C-N 3.34Å; K76-M78 PolarHBondContact O-N 3Å; K76-K79 PolarHBondContact O-N 2.9Å; K76-E80 WeakPolarHBondContact O-CG 3.35Å; K76-E80 PolarHBondContact O-N 3.36Å; K76-E80 VanDerWaalsContact O-N 3.07Å; K76-E180 WeakPolarHBondContact CE-OE2 3.08Å; K76-E180 IonicContact NZ-OE2 3.81Å
77L92.4Very high86Confident67 Ų6766.3 Ų66.335%0.35132%0.323SS..Hα-helixtrans-56.7-46.5177.9179.869.1000111.9E73 L74 E80 K81E73-L77 PolarHBondContact O-N 2.9Å; L74-L77 HydrophobicContact CD1-CD2 4.46Å; L74-L77 WeakPolarHBondContact O-CB 3.43Å; L74-L77 PolarHBondContact O-N 3.3Å; L77-E80 PolarHBondContact O-N 3.47Å; L77-K81 HydrophobicContact CG-CD 4.49Å; L77-K81 WeakPolarHBondContact O-CB 3.45Å; L77-K81 PolarHBondContact O-N 2.99Å
78M90.4Very high85.3Confident19 Ų1970.2 Ų70.29%0.09434%0.342CS..Hα-helixtrans-67.2-36.3-179.1-68.717579.500112.3L74 K76 E80 W91 D128 L129 N132L74-M78 HydrophobicContact CD1-CG 4.17Å; L74-M78 HydrophobicContact CD1-SD 4.06Å; L74-M78 HydrophobicContact CG-CG 4.48Å; L74-M78 HydrophobicContact CG-SD 3.91Å; L74-M78 WeakPolarHBondContact O-CB 3.17Å; L74-M78 VanDerWaalsContact O-CG 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.33Å; L74-M78 PolarHBondContact O-N 2.95Å; K76-M78 VanDerWaalsContact C-N 3.34Å; K76-M78 PolarHBondContact O-N 3Å; M78-E80 VanDerWaalsContact C-N 3.32Å; M78-E80 PolarHBondContact O-N 2.73Å; M78-W91 HydrophobicContact CE-CD2 4.12Å; M78-W91 HydrophobicContact CE-CG 4.1Å; M78-W91 HydrophobicContact CE-CZ2 4.06Å; M78-D128 WeakPolarHBondContact CE-OD2 3.48Å; M78-L129 HydrophobicContact CE-CD1 4.39Å; M78-L129 HydrophobicContact SD-CD1 4.02Å; M78-N132 HydrophobicContact CG-CB 3.89Å; M78-N132 HydrophobicContact SD-CB 4.33Å
79K86.2Confident84.9Confident120 Ų12069.1 Ų69.152%0.52234%0.338SS..Hα-helixtrans-63.3-37.4173-74.1168-172.8172.20111.9L75 K76 E180L75-K79 WeakPolarHBondContact O-CB 3.4Å; L75-K79 VanDerWaalsContact O-CG 3.23Å; L75-K79 WeakPolarHBondContact O-CG 3.43Å; L75-K79 PolarHBondContact O-N 3.38Å; L75-K79 VanDerWaalsContact O-N 3.08Å; K76-K79 PolarHBondContact O-N 2.9Å; K79-E180 IonicContact NZ-OE1 3.68Å; K79-E180 PolarHBondContact NZ-OE1 2.89Å
80E86.9Confident84.6Confident155 Ų15570.4 Ų70.472%0.72435%0.347SS*.Hα-helixtrans-75.2-36.7-179.5-71.1173.9-175.600112.9K76 L77 M78 K82K76-E80 WeakPolarHBondContact O-CG 3.35Å; K76-E80 PolarHBondContact O-N 3.36Å; K76-E80 VanDerWaalsContact O-N 3.07Å; L77-E80 PolarHBondContact O-N 3.47Å; M78-E80 VanDerWaalsContact C-N 3.32Å; M78-E80 PolarHBondContact O-N 2.73Å; E80-K82 VanDerWaalsContact C-N 3.3Å; E80-K82 PolarHBondContact O-N 2.79Å
81K81Confident84.4Confident119 Ų11972.1 Ų72.152%0.51735%0.353SS..SBendtrans-71.5-8.9-172.4-103.7-178.3179.8178.50116.7L77 S83 N132L77-K81 HydrophobicContact CG-CD 4.49Å; L77-K81 WeakPolarHBondContact O-CB 3.45Å; L77-K81 PolarHBondContact O-N 2.99Å; K81-S83 PolarHBondContact O-N 2.88Å; K81-N132 WeakPolarHBondContact CD-OD1 3.47Å; K81-N132 PolarHBondContact NZ-OD1 2.8Å
82K65.6Low84.2Confident179 Ų17974.4 Ų74.478%0.77836%0.363SS*.  trans1980.3-177.8-76.5-169.2176.5-177.80114.2E80E80-K82 VanDerWaalsContact C-N 3.3Å; E80-K82 PolarHBondContact O-N 2.79Å
83S65.7Low84.1Confident44 Ų4474.8 Ų74.831%0.30837%0.365SS..  trans-82.7158174.370.90000111.3K81 I85 S86K81-S83 PolarHBondContact O-N 2.88Å; S83-I85 PolarHBondContact O-N 2.62Å; S83-I85 VanDerWaalsContact O-N 3.11Å; S83-I85 PolarHBondContact OG-N 2.96Å; S83-S86 VanDerWaalsContact O-CB 3.23Å; S83-S86 WeakPolarHBondContact O-CB 3.11Å; S83-S86 PolarHBondContact O-N 3.28Å; S83-S86 PolarHBondContact O-OG 3.48Å; S83-S86 PolarHBondContact OG-N 2.9Å
84D64.9Low84.1Confident162 Ų16268.7 Ų68.787%0.86634%0.337SS*.G310 helixtrans-57.2-25.5171.9-75.7-22000112.5
85I68.7Low84.2Confident72 Ų7268.4 Ų68.437%0.36934%0.336SS..G310 helixtrans-77.3-23.2177.9-57170.7000111.4S83 D87 E88 I89S83-I85 PolarHBondContact O-N 2.62Å; S83-I85 VanDerWaalsContact O-N 3.11Å; S83-I85 PolarHBondContact OG-N 2.96Å; I85-D87 PolarHBondContact O-N 3.22Å; I85-E88 PolarHBondContact O-N 2.91Å; I85-I89 HydrophobicContact CG2-CD1 3.67Å
86S64Low84.4Confident35 Ų3568.3 Ų68.325%0.24534%0.335CS..G310 helixtrans-61.7-14.8-179.572.60000113.5S83 E88 R105S83-S86 VanDerWaalsContact O-CB 3.23Å; S83-S86 WeakPolarHBondContact O-CB 3.11Å; S83-S86 PolarHBondContact O-N 3.28Å; S83-S86 PolarHBondContact O-OG 3.48Å; S83-S86 PolarHBondContact OG-N 2.9Å; S86-E88 VanDerWaalsContact C-N 3.33Å; S86-R105 PolarHBondContact O-NH1 2.85Å
87D73.6Confident84.7Confident103 Ų10363.6 Ų63.655%0.55132%0.315SS*.G310 helixtrans-79.5-8.4173-78.6-25.3000114.8I85 R105I85-D87 PolarHBondContact O-N 3.22Å; D87-R105 WeakPolarHBondContact O-CD 3.28Å; D87-R105 IonicContact OD1-CZ 3.3Å; D87-R105 IonicContact OD1-NH1 3.65Å; D87-R105 PolarHBondContact OD1-NH1 2.96Å; D87-R105 IonicContact OD1-NH2 3.16Å
88E83.3Confident85Confident83 Ų8360.5 Ų60.539%0.38830%0.298SS..THydrogen-bonded Turntrans-106.4-14.6177.1-67.5-172.3-128.300113.8I85 S86 R105 K124I85-E88 PolarHBondContact O-N 2.91Å; S86-E88 VanDerWaalsContact C-N 3.33Å; E88-R105 WeakPolarHBondContact O-CB 3.37Å; E88-R105 PolarHBondContact O-N 3.11Å; E88-K124 IonicContact OE1-NZ 3.38Å; E88-K124 PolarHBondContact OE1-NZ 3.19Å; E88-K124 IonicContact OE2-NZ 3.69Å; E88-K124 PolarHBondContact OE2-NZ 3.22Å
89I90.5Very high85.3Confident8 Ų859.6 Ų59.64%0.04129%0.294CS..EExtended strand (participates in β ladder)trans-126.5143.9-167.5-58.7168.6000110.2I85 W91 K124 R125 D128I85-I89 HydrophobicContact CG2-CD1 3.67Å; I89-W91 HydrophobicContact CG2-CD2 3.96Å; I89-W91 HydrophobicContact CG2-CG 4.21Å; I89-W91 HydrophobicContact CG2-CZ2 3.95Å; I89-K124 HydrophobicContact CD1-CB 4.42Å; I89-R125 HydrophobicContact CB-CG 4.31Å; I89-R125 HydrophobicContact CD1-CB 4.34Å; I89-R125 HydrophobicContact CD1-CG 3.72Å; I89-R125 HydrophobicContact CG1-CG 3.73Å; I89-R125 HydrophobicContact CG2-CG 3.65Å; I89-D128 HydrophobicContact CD1-CB 4.19Å
90T92.1Very high85.9Confident50 Ų5053.9 Ų53.931%0.30727%0.269SS..EExtended strand (participates in β ladder)trans-120.9128.6166-620000109.2Q92 V103T90-Q92 HydrophobicContact CG2-CG 4.31Å; T90-V103 HydrophobicContact CG2-CG2 4.12Å; T90-V103 PolarHBondContact N-O 2.76Å; T90-V103 PolarHBondContact O-N 3.07Å
91W93.9Very high86.4Confident38 Ų3846.5 Ų46.514%0.14424%0.235CC..EExtended strand (participates in β ladder)trans-106.3134.6178.4-65.7114.6000110.4Y53 L75 M78 I89 I100 E101 G102 R125 D128 L129Y53-W91 HydrophobicContact CD2-CH2 4.23Å; Y53-W91 AromaticContact CD2-CZ3 3.74Å; Y53-W91 HydrophobicContact CD2-CZ3 3.74Å; Y53-W91 AromaticContact CE2-CH2 3.75Å; Y53-W91 HydrophobicContact CE2-CH2 3.75Å; Y53-W91 AromaticContact CE2-CZ3 3.55Å; Y53-W91 HydrophobicContact CE2-CZ3 3.55Å; L75-W91 HydrophobicContact CD2-CB 3.75Å; M78-W91 HydrophobicContact CE-CD2 4.12Å; M78-W91 HydrophobicContact CE-CG 4.1Å; M78-W91 HydrophobicContact CE-CZ2 4.06Å; I89-W91 HydrophobicContact CG2-CD2 3.96Å; I89-W91 HydrophobicContact CG2-CG 4.21Å; I89-W91 HydrophobicContact CG2-CZ2 3.95Å; W91-I100 HydrophobicContact CD2-CG2 4.25Å; W91-I100 HydrophobicContact CE3-CG2 3.36Å; W91-I100 HydrophobicContact CZ3-CG2 3.81Å; W91-E101 CarbonylContact C-O 3.58Å; W91-E101 WeakPolarHBondContact CA-O 3.12Å; W91-G102 VanDerWaalsContact CE3-CA 3.47Å; W91-R125 HydrophobicContact CH2-CB 3.77Å; W91-R125 HydrophobicContact CH2-CG 4.28Å; W91-R125 VanDerWaalsContact CH2-O 3.29Å; W91-R125 WeakPolarHBondContact CH2-O 3.35Å; W91-R125 HydrophobicContact CZ2-CB 4.03Å; W91-R125 HydrophobicContact CZ2-CG 4.32Å; W91-R125 WeakPolarHBondContact CZ2-O 3.47Å; W91-D128 HydrophobicContact CZ2-CB 4.42Å; W91-D128 PolarHBondContact NE1-OD2 3.44Å; W91-L129 HydrophobicContact CH2-CB 3.74Å; W91-L129 HydrophobicContact CH2-CD2 4.18Å; W91-L129 HydrophobicContact CH2-CG 4.44Å; W91-L129 HydrophobicContact CZ2-CB 3.94Å; W91-L129 HydrophobicContact CZ3-CD2 4.3Å
92Q93.7Very high87.1Confident49 Ų4940.9 Ų40.923%0.22921%0.21CC..EExtended strand (participates in β ladder)trans-131.7149.4-179.3-58.7-170.83600111.1T90 E101T90-Q92 HydrophobicContact CG2-CG 4.31Å; Q92-E101 HydrophobicContact CB-CB 4.36Å; Q92-E101 PolarHBondContact N-O 2.87Å; Q92-E101 PolarHBondContact O-N 2.82Å
93P94.9Very high88.5Confident12 Ų1233.1 Ų33.18%0.07818%0.178CC..EExtended strand (participates in β ladder)trans-70.3144.4169.130.9-33.7000110.3M1 L4 L75 E180M1-P93 WeakPolarHBondContact CE-O 3.45Å; L4-P93 HydrophobicContact CD1-CG 3.59Å; L75-P93 HydrophobicContact CD1-CB 3.7Å; L75-P93 HydrophobicContact CD1-CG 4.45Å; P93-E180 HydrophobicContact CB-CB 4.28Å; P93-E180 HydrophobicContact CB-CG 4.3Å; P93-E180 HydrophobicContact CG-CG 4.24Å
94E96.2Very high89.8Confident11 Ų1131.8 Ų31.85%0.05117%0.168CC..  trans-107.5179.7165.2-103.3-60.416000111.1M1 E52 A96 M99 E101 T178M1-E94 HydrophobicContact CE-CG 4.13Å; M1-E94 WeakPolarHBondContact CE-OE1 3.33Å; M1-E94 WeakPolarHBondContact CG-OE1 3.44Å; E52-E94 HydrophobicContact CG-CG 4.16Å; E94-A96 PolarHBondContact O-N 2.75Å; E94-M99 HydrophobicContact CB-CB 3.72Å; E94-M99 HydrophobicContact CB-CE 3.99Å; E94-M99 HydrophobicContact CG-CE 4.12Å; E94-E101 HydrophobicContact CG-CB 4.09Å; E94-T178 WeakPolarHBondContact O-CB 3.44Å; E94-T178 WeakPolarHBondContact O-CG2 3.44Å
95Y97.6Very high91Very high1 Ų130.3 Ų30.30%0.00415%0.15CC..SBendtrans-51.7-41.3-177.1173.1-88.6000113.9F172 I177 T178 F184 T188 M241 G242 M245Y95-F172 HydrophobicContact CE1-CE1 4.35Å; Y95-F172 HydrophobicContact CE1-CZ 4.22Å; Y95-I177 HydrophobicContact CE1-CG1 4.25Å; Y95-I177 HydrophobicContact CE1-CG2 4.45Å; Y95-I177 HydrophobicContact CE2-CG2 4.12Å; Y95-T178 PolarHBondContact O-N 3.18Å; Y95-F184 HydrophobicContact CD2-CB 4.02Å; Y95-F184 HydrophobicContact CD2-CD1 4.06Å; Y95-F184 HydrophobicContact CD2-CG 4.48Å; Y95-F184 HydrophobicContact CE2-CB 4.42Å; Y95-T188 VanDerWaalsContact CE2-OG1 3.27Å; Y95-T188 WeakPolarHBondContact CE2-OG1 3.3Å; Y95-T188 PolarHBondContact OH-OG1 3.42Å; Y95-M241 HydrophobicContact CD2-CE 3.71Å; Y95-M241 HydrophobicContact CD2-CG 4.23Å; Y95-M241 HydrophobicContact CD2-SD 4.16Å; Y95-M241 HydrophobicContact CE2-CB 4.19Å; Y95-M241 HydrophobicContact CE2-CE 3.76Å; Y95-M241 HydrophobicContact CE2-CG 3.58Å; Y95-M241 HydrophobicContact CE2-SD 3.56Å; Y95-M241 VanDerWaalsContact CE2-SD 3.56Å; Y95-G242 PolarHBondContact OH-N 3.32Å; Y95-M245 WeakPolarHBondContact CB-O 3.28Å; Y95-M245 HydrophobicContact CD1-CB 3.94Å; Y95-M245 HydrophobicContact CD2-CB 3.9Å; Y95-M245 HydrophobicContact CG-CB 3.55Å
96A98.1Very high91.9Very high0 Ų032.4 Ų32.40%016%0.161CC..BIsolated β-bridgetrans-96.1146.2-171.800000112.7E94 Y98 M99 A176E94-A96 PolarHBondContact O-N 2.75Å; A96-Y98 HydrophobicContact CB-CD1 3.92Å; A96-Y98 HydrophobicContact CB-CD2 3.8Å; A96-Y98 HydrophobicContact CB-CE1 3.6Å; A96-Y98 HydrophobicContact CB-CE2 3.44Å; A96-Y98 VanDerWaalsContact CB-CE2 3.44Å; A96-Y98 HydrophobicContact CB-CG 4.03Å; A96-Y98 PolarHBondContact O-N 3.41Å; A96-Y98 VanDerWaalsContact O-N 3.09Å; A96-M99 HydrophobicContact CB-CB 4.2Å; A96-M99 HydrophobicContact CB-CG 3.92Å; A96-M99 HydrophobicContact CB-SD 3.88Å; A96-M99 PolarHBondContact O-N 3.11Å; A96-A176 CarbonylContact C-O 3.44Å; A96-A176 WeakPolarHBondContact CA-O 3.31Å
97E98.4Very high93.1Very high9 Ų933.5 Ų33.54%0.04217%0.167CC..THydrogen-bonded Turntrans-69.3-5.1176.5-169.253.4-150.500113.2L69 G70 A71 S72 A176 T178 Q179L69-E97 CarbonylContact C-O 3.52Å; L69-E97 HydrophobicContact CB-CB 4.32Å; L69-E97 HydrophobicContact CB-CG 3.89Å; L69-E97 HydrophobicContact CD2-CB 4.35Å; G70-E97 PolarHBondContact N-O 3.06Å; A71-E97 WeakPolarHBondContact CB-O 3.42Å; A71-E97 PolarHBondContact N-O 2.65Å; A71-E97 PolarHBondContact N-OE1 2.88Å; S72-E97 WeakPolarHBondContact CB-OE1 3.46Å; S72-E97 PolarHBondContact N-OE1 3.03Å; S72-E97 PolarHBondContact OG-OE1 2.95Å; S72-E97 PolarHBondContact OG-OE2 3.13Å; E97-A176 PolarHBondContact N-O 2.96Å; E97-T178 WeakPolarHBondContact OE2-CA 3.37Å; E97-T178 PolarHBondContact OE2-OG1 3.47Å; E97-Q179 HydrophobicContact CG-CG 4.32Å; E97-Q179 PolarHBondContact OE2-N 3.33Å
98Y98.6Very high93.9Very high2 Ų229.4 Ų29.41%0.00815%0.145CC..THydrogen-bonded Turntrans-108.813.6172.353.9-101.3000112.8T54 L55 L67 Y68 L69 A96 L148 F172 A176 G246T54-Y98 WeakPolarHBondContact CA-O 3.37Å; T54-Y98 HydrophobicContact CG2-CD2 4.3Å; L55-Y98 PolarHBondContact N-O 2.85Å; L67-Y98 HydrophobicContact CB-CD1 3.95Å; L67-Y98 HydrophobicContact CB-CG 3.88Å; L67-Y98 HydrophobicContact CD1-CD1 3.78Å; L67-Y98 HydrophobicContact CD1-CD2 3.86Å; L67-Y98 HydrophobicContact CD1-CE1 3.67Å; L67-Y98 HydrophobicContact CD1-CE2 3.77Å; L67-Y98 HydrophobicContact CD1-CG 3.88Å; L67-Y98 HydrophobicContact CD2-CD2 3.92Å; L67-Y98 HydrophobicContact CD2-CE2 4.45Å; L67-Y98 HydrophobicContact CD2-CG 4.11Å; L67-Y98 HydrophobicContact CG-CD1 4.38Å; L67-Y98 HydrophobicContact CG-CD2 4.34Å; L67-Y98 HydrophobicContact CG-CG 4.19Å; Y68-Y98 VanDerWaalsContact O-CA 3.26Å; Y68-Y98 WeakPolarHBondContact O-CA 3.47Å; Y68-Y98 WeakPolarHBondContact O-CB 3.26Å; L69-Y98 HydrophobicContact CD2-CD1 3.62Å; L69-Y98 HydrophobicContact CD2-CG 4.43Å; A96-Y98 HydrophobicContact CB-CD1 3.92Å; A96-Y98 HydrophobicContact CB-CD2 3.8Å; A96-Y98 HydrophobicContact CB-CE1 3.6Å; A96-Y98 HydrophobicContact CB-CE2 3.44Å; A96-Y98 VanDerWaalsContact CB-CE2 3.44Å; A96-Y98 HydrophobicContact CB-CG 4.03Å; A96-Y98 PolarHBondContact O-N 3.41Å; A96-Y98 VanDerWaalsContact O-N 3.09Å; Y98-L148 HydrophobicContact CE1-CD1 4.4Å; Y98-L148 WeakPolarHBondContact OH-CD1 3.49Å; Y98-F172 HydrophobicContact CE1-CE2 4.43Å; Y98-F172 HydrophobicContact CE1-CZ 4.2Å; Y98-A176 HydrophobicContact CD1-CB 4.49Å; Y98-A176 HydrophobicContact CE1-CB 4.15Å; Y98-G246 WeakPolarHBondContact OH-CA 3.23Å
99M98.5Very high93.9Very high0 Ų027.2 Ų27.20%014%0.144CC..EExtended strand (participates in β ladder)trans-123140.8-179.5-72.3176.964.300112.9E52 Y53 A71 E94 A96 G246 C247 S248E52-M99 HydrophobicContact CB-CE 4.1Å; E52-M99 HydrophobicContact CG-CE 4.42Å; Y53-M99 VanDerWaalsContact O-CA 3.28Å; Y53-M99 WeakPolarHBondContact O-CA 3.34Å; A71-M99 WeakPolarHBondContact CB-O 3.28Å; E94-M99 HydrophobicContact CB-CB 3.72Å; E94-M99 HydrophobicContact CB-CE 3.99Å; E94-M99 HydrophobicContact CG-CE 4.12Å; A96-M99 HydrophobicContact CB-CB 4.2Å; A96-M99 HydrophobicContact CB-CG 3.92Å; A96-M99 HydrophobicContact CB-SD 3.88Å; A96-M99 PolarHBondContact O-N 3.11Å; M99-G246 VanDerWaalsContact SD-C 3.57Å; M99-C247 WeakPolarHBondContact CE-O 3.2Å; M99-S248 WeakPolarHBondContact CE-OG 3.05Å
100I97.5Very high93.2Very high0 Ų034.9 Ų34.90%017%0.173CC..EExtended strand (participates in β ladder)trans-134.4131.9170.9-69.4-179000108.9Y53 L55 A71 L74 L75 W91 L129Y53-I100 PolarHBondContact N-O 3.11Å; Y53-I100 PolarHBondContact O-N 2.86Å; Y53-I100 VanDerWaalsContact O-N 3.08Å; L55-I100 HydrophobicContact CD1-CD1 4.09Å; L55-I100 HydrophobicContact CD1-CG1 4.36Å; A71-I100 HydrophobicContact CB-CD1 4.25Å; A71-I100 HydrophobicContact CB-CG1 3.79Å; L74-I100 HydrophobicContact CB-CD1 4.24Å; L74-I100 HydrophobicContact CD2-CD1 3.69Å; L74-I100 HydrophobicContact CG-CD1 3.99Å; L75-I100 HydrophobicContact CD1-CG1 4.35Å; L75-I100 HydrophobicContact CD2-CD1 4.15Å; L75-I100 HydrophobicContact CD2-CG1 4.32Å; L75-I100 HydrophobicContact CD2-CG2 4.05Å; L75-I100 HydrophobicContact CG-CD1 3.96Å; L75-I100 HydrophobicContact CG-CG1 4.15Å; W91-I100 HydrophobicContact CD2-CG2 4.25Å; W91-I100 HydrophobicContact CE3-CG2 3.36Å; W91-I100 HydrophobicContact CZ3-CG2 3.81Å; I100-L129 HydrophobicContact CD1-CD1 3.93Å
101E97.8Very high92.7Very high0 Ų036.1 Ų36.10%018%0.177CC..EExtended strand (participates in β ladder)trans-94.4131.5172.6-176.9-170.293.500109.9E50 I51 E52 W91 Q92 E94 V103E50-E101 HydrophobicContact CB-CG 4.35Å; I51-E101 CarbonylContact O-C 3.49Å; I51-E101 WeakPolarHBondContact O-CA 3.46Å; E52-E101 HydrophobicContact CG-CB 4.34Å; E52-E101 HydrophobicContact CG-CG 4.29Å; W91-E101 CarbonylContact C-O 3.58Å; W91-E101 WeakPolarHBondContact CA-O 3.12Å; Q92-E101 HydrophobicContact CB-CB 4.36Å; Q92-E101 PolarHBondContact N-O 2.87Å; Q92-E101 PolarHBondContact O-N 2.82Å; E94-E101 HydrophobicContact CG-CB 4.09Å; E101-V103 HydrophobicContact CG-CG1 4.23Å
102G95.9Very high92.1Very high0 Ų034.9 Ų34.90%017%0.173CC..EExtended strand (participates in β ladder)trans-114.8133.8172.400000111.3I51 W91 R125I51-G102 PolarHBondContact N-O 3.08Å; I51-G102 VanDerWaalsContact N-O 3.16Å; I51-G102 PolarHBondContact O-N 3.23Å; W91-G102 VanDerWaalsContact CE3-CA 3.47Å; G102-R125 PolarHBondContact O-NH1 3.03Å
103V95.2Very high91.6Very high17 Ų1734.4 Ų34.410%0.10317%0.172CC..EExtended strand (participates in β ladder)trans-130151.7176.3-53.10000110.7E50 T90 E101 R105E50-V103 HydrophobicContact CB-CG1 3.96Å; E50-V103 HydrophobicContact CG-CG1 3.76Å; T90-V103 HydrophobicContact CG2-CG2 4.12Å; T90-V103 PolarHBondContact N-O 2.76Å; T90-V103 PolarHBondContact O-N 3.07Å; E101-V103 HydrophobicContact CG-CG1 4.23Å; V103-R105 PolarHBondContact O-N 3.18Å
104P93.1Very high91.1Very high15 Ų1534.4 Ų34.410%0.09717%0.173CC..EExtended strand (participates in β ladder)trans-64.4130.4168.429.3-34.6000109.5D49 I106 F108D49-P104 WeakPolarHBondContact O-CD 3.24Å; P104-I106 VanDerWaalsContact C-N 3.28Å; P104-I106 PolarHBondContact O-N 3Å; P104-F108 HydrophobicContact CB-CE2 4.18Å; P104-F108 HydrophobicContact CB-CZ 4Å; P104-F108 HydrophobicContact CG-CD2 4.33Å; P104-F108 HydrophobicContact CG-CE2 3.72Å; P104-F108 HydrophobicContact CG-CZ 4.04Å
105R88.8Confident90.6Very high131 Ų13134.5 Ų34.549%0.49417%0.173SC..SBendtrans-64.7-34.7-178.7-175.4170.9174-177.5-14.9112.3S86 D87 E88 V103S86-R105 PolarHBondContact O-NH1 2.85Å; D87-R105 WeakPolarHBondContact O-CD 3.28Å; D87-R105 IonicContact OD1-CZ 3.3Å; D87-R105 IonicContact OD1-NH1 3.65Å; D87-R105 PolarHBondContact OD1-NH1 2.96Å; D87-R105 IonicContact OD1-NH2 3.16Å; E88-R105 WeakPolarHBondContact O-CB 3.37Å; E88-R105 PolarHBondContact O-N 3.11Å; V103-R105 PolarHBondContact O-N 3.18Å
106I87.7Confident90.1Very high116 Ų11635.6 Ų35.660%0.59518%0.179SC*.SBendtrans-110.5128.3174.6-57.9176.1000107.3P104P104-I106 VanDerWaalsContact C-N 3.28Å; P104-I106 PolarHBondContact O-N 3Å
107P90.6Very high89.7Confident59 Ų5936.4 Ų36.438%0.38318%0.184SC..  trans-61.1143.7175.326.5-34.8000110.6K46 W47K46-P107 HydrophobicContact CB-CB 4.1Å; K46-P107 HydrophobicContact CB-CG 4.22Å; K46-P107 HydrophobicContact CD-CG 3.93Å; K46-P107 HydrophobicContact CG-CG 4.35Å; W47-P107 CarbonylContact O-C 3.6Å; W47-P107 WeakPolarHBondContact O-CA 3.48Å; W47-P107 WeakPolarHBondContact O-CB 3.26Å
108F90.5Very high89.4Confident17 Ų1736 Ų368%0.07518%0.182CC..BIsolated β-bridgetrans-61.2155.3175-58.5-69.5000111.9K46 W47 D49 P104 A114 T117 V118 N121K46-F108 WeakPolarHBondContact CA-O 3.2Å; W47-F108 HydrophobicContact CD2-CB 3.73Å; W47-F108 HydrophobicContact CD2-CD2 4.03Å; W47-F108 HydrophobicContact CD2-CG 4.33Å; W47-F108 VanDerWaalsContact CE2-CB 3.48Å; W47-F108 HydrophobicContact CE3-CB 4.05Å; W47-F108 AromaticContact CE3-CD2 3.43Å; W47-F108 HydrophobicContact CE3-CD2 3.43Å; W47-F108 VanDerWaalsContact CE3-CD2 3.43Å; W47-F108 HydrophobicContact CE3-CE2 4.27Å; W47-F108 HydrophobicContact CE3-CG 4.14Å; W47-F108 HydrophobicContact CG-CB 4.3Å; W47-F108 HydrophobicContact CH2-CB 4.15Å; W47-F108 AromaticContact CH2-CD2 3.88Å; W47-F108 HydrophobicContact CH2-CD2 3.88Å; W47-F108 HydrophobicContact CH2-CG 4.12Å; W47-F108 HydrophobicContact CZ2-CB 3.75Å; W47-F108 HydrophobicContact CZ2-CD2 4.33Å; W47-F108 HydrophobicContact CZ2-CG 4.2Å; W47-F108 HydrophobicContact CZ3-CB 4.23Å; W47-F108 AromaticContact CZ3-CD2 3.32Å; W47-F108 HydrophobicContact CZ3-CD2 3.32Å; W47-F108 AromaticContact CZ3-CE2 3.88Å; W47-F108 HydrophobicContact CZ3-CE2 3.88Å; W47-F108 HydrophobicContact CZ3-CG 4.01Å; W47-F108 PolarHBondContact N-O 3.46Å; W47-F108 PolarHBondContact O-N 2.79Å; D49-F108 WeakPolarHBondContact OD1-CE2 3.39Å; P104-F108 HydrophobicContact CB-CE2 4.18Å; P104-F108 HydrophobicContact CB-CZ 4Å; P104-F108 HydrophobicContact CG-CD2 4.33Å; P104-F108 HydrophobicContact CG-CE2 3.72Å; P104-F108 HydrophobicContact CG-CZ 4.04Å; F108-A114 HydrophobicContact CB-CB 4.49Å; F108-T117 WeakPolarHBondContact CD1-OG1 3.32Å; F108-T117 VanDerWaalsContact CE1-OG1 3.26Å; F108-T117 WeakPolarHBondContact CE1-OG1 2.89Å; F108-V118 HydrophobicContact CZ-CG2 4.5Å; F108-N121 HydrophobicContact CE1-CB 4.16Å; F108-N121 HydrophobicContact CZ-CB 4.02Å
109G82.4Confident89.2Confident36 Ų3636.4 Ų36.437%0.37118%0.184SC..  trans-88.7-176.9-174.100000115.1W47W47-G109 PolarHBondContact NE1-O 3.4Å
110R75.8Confident88.9Confident170 Ų17036.8 Ų36.864%0.64219%0.187SC*.SBendtrans-79.1-28.5-173.973.9178179101-0.9115.6T44 L45T44-R110 HydrophobicContact CG2-CB 4.32Å; L45-R110 HydrophobicContact CB-CB 4.17Å
111L82.3Confident88.7Confident75 Ų7537.4 Ų37.439%0.39319%0.19SC..SBendtrans-77.3150.8-169.5-64.4175.4000109.9D113 A114L111-D113 PolarHBondContact O-N 3.44Å; L111-D113 VanDerWaalsContact O-N 3.1Å; L111-A114 WeakPolarHBondContact O-CB 3.33Å; L111-A114 PolarHBondContact O-N 2.99Å
112L80.6Confident88.6Confident13 Ų1337.4 Ų37.47%0.06819%0.19CC..G310 helixtrans-55.2-30.6174.7-69.8-168.8000111.8A114 F115 L448 V581 T584 G585 T590 I594L112-A114 PolarHBondContact O-N 3.22Å; L112-F115 HydrophobicContact CB-CD2 4.46Å; L112-F115 HydrophobicContact CD2-CD2 4.03Å; L112-F115 HydrophobicContact CD2-CE2 3.73Å; L112-F115 WeakPolarHBondContact O-CB 3.3Å; L112-F115 WeakPolarHBondContact O-CD2 3.2Å; L112-F115 PolarHBondContact O-N 3.39Å; L112-L448 HydrophobicContact CD2-CD2 4.06Å; L112-V581 HydrophobicContact CD1-CG1 4.19Å; L112-T584 HydrophobicContact CD1-CG2 4.05Å; L112-T584 HydrophobicContact CD2-CG2 4.47Å; L112-T584 HydrophobicContact CG-CG2 4.01Å; L112-G585 WeakPolarHBondContact CD1-O 3.1Å; L112-T590 HydrophobicContact CB-CG2 4.1Å; L112-T590 WeakPolarHBondContact O-CG2 3.43Å; L112-I594 HydrophobicContact CB-CD1 4.4Å; L112-I594 HydrophobicContact CD1-CD1 4.44Å; L112-I594 HydrophobicContact CD2-CD1 4.33Å
113D82.8Confident88.5Confident38 Ų3840.5 Ų40.520%0.20320%0.204CC..G310 helixtrans-61.1-18.3177.6-60.4-36.6000113.9L111 F115 N116 H587 T590L111-D113 PolarHBondContact O-N 3.44Å; L111-D113 VanDerWaalsContact O-N 3.1Å; D113-F115 PolarHBondContact O-N 3.26Å; D113-N116 WeakPolarHBondContact O-CB 3.32Å; D113-N116 PolarHBondContact O-N 2.85Å; D113-H587 IonicContact OD1-CD2 3.44Å; D113-H587 PolarHBondContact OD1-CD2 3.42Å; D113-H587 IonicContact OD2-CD2 2.66Å; D113-H587 PolarHBondContact OD2-CD2 3.12Å; D113-H587 IonicContact OD2-NE2 3.48Å; D113-T590 PolarHBondContact OD1-OG1 3.15Å
114A84.5Confident88.4Confident12 Ų1243 Ų4310%0.09921%0.213CC..G310 helixtrans-62.3-27.9171.300000112.1W47 F108 L111 L112 N116 T117W47-A114 HydrophobicContact CZ2-CB 4.36Å; F108-A114 HydrophobicContact CB-CB 4.49Å; L111-A114 WeakPolarHBondContact O-CB 3.33Å; L111-A114 PolarHBondContact O-N 2.99Å; L112-A114 PolarHBondContact O-N 3.22Å; A114-N116 PolarHBondContact O-N 2.61Å; A114-T117 WeakPolarHBondContact O-CB 3.33Å; A114-T117 PolarHBondContact O-N 3.47Å; A114-T117 PolarHBondContact O-OG1 2.79Å
115F86.8Confident88.5Confident13 Ų1342.3 Ų42.36%0.05721%0.208CC..Hα-helixtrans-64.9-26.5177.4-68.7-70.9000112.9W47 L112 D113 T117 T444 L447 L448 I594W47-F115 HydrophobicContact CH2-CD1 4.1Å; W47-F115 HydrophobicContact CH2-CE1 4.05Å; W47-F115 HydrophobicContact CZ2-CD1 4.11Å; W47-F115 AromaticContact CZ2-CE1 3.89Å; W47-F115 HydrophobicContact CZ2-CE1 3.89Å; W47-F115 HydrophobicContact CZ2-CZ 4.37Å; L112-F115 HydrophobicContact CB-CD2 4.46Å; L112-F115 HydrophobicContact CD2-CD2 4.03Å; L112-F115 HydrophobicContact CD2-CE2 3.73Å; L112-F115 WeakPolarHBondContact O-CB 3.3Å; L112-F115 WeakPolarHBondContact O-CD2 3.2Å; L112-F115 PolarHBondContact O-N 3.39Å; D113-F115 PolarHBondContact O-N 3.26Å; F115-T117 PolarHBondContact O-N 3.24Å; F115-T444 HydrophobicContact CD1-CG2 3.7Å; F115-T444 WeakPolarHBondContact CD1-OG1 3.23Å; F115-T444 HydrophobicContact CE1-CG2 3.96Å; F115-T444 HydrophobicContact CG-CG2 4.28Å; F115-L447 HydrophobicContact CE1-CB 3.96Å; F115-L447 HydrophobicContact CE1-CD1 3.92Å; F115-L447 HydrophobicContact CZ-CB 4.03Å; F115-L448 HydrophobicContact CE1-CG 4.44Å; F115-L448 HydrophobicContact CE2-CD2 3.72Å; F115-L448 HydrophobicContact CE2-CG 4.28Å; F115-L448 HydrophobicContact CZ-CD2 3.78Å; F115-L448 HydrophobicContact CZ-CG 3.93Å; F115-I594 HydrophobicContact CB-CD1 4.25Å; F115-I594 HydrophobicContact CB-CG1 4.07Å; F115-I594 HydrophobicContact CD2-CD1 3.86Å; F115-I594 HydrophobicContact CD2-CG1 4.41Å; F115-I594 HydrophobicContact CG-CD1 4.25Å; F115-I594 HydrophobicContact CG-CG1 4.32Å
116N85.9Confident88.8Confident24 Ų2436.8 Ų36.813%0.12819%0.187CC..Hα-helixtrans-68.9-13.2172.9-63.4-22.6000113.1D113 A114 T590 L593 L670D113-N116 WeakPolarHBondContact O-CB 3.32Å; D113-N116 PolarHBondContact O-N 2.85Å; A114-N116 PolarHBondContact O-N 2.61Å; N116-T590 PolarHBondContact ND2-OG1 3.32Å; N116-T590 WeakPolarHBondContact OD1-CA 3.37Å; N116-L593 HydrophobicContact CB-CD2 4.36Å; N116-L593 WeakPolarHBondContact OD1-CD2 3.42Å; N116-L670 HydrophobicContact CB-CD2 4.14Å; N116-L670 WeakPolarHBondContact O-CD1 3.37Å
117T89.2Confident89Confident18 Ų1837.1 Ų37.111%0.1119%0.19CC..Hα-helixtrans-96.3-19.7-174.275.50000113F108 A114 F115 C120 N121 L670 L674F108-T117 WeakPolarHBondContact CD1-OG1 3.32Å; F108-T117 VanDerWaalsContact CE1-OG1 3.26Å; F108-T117 WeakPolarHBondContact CE1-OG1 2.89Å; A114-T117 WeakPolarHBondContact O-CB 3.33Å; A114-T117 PolarHBondContact O-N 3.47Å; A114-T117 PolarHBondContact O-OG1 2.79Å; F115-T117 PolarHBondContact O-N 3.24Å; T117-C120 PolarHBondContact O-N 3.22Å; T117-N121 VanDerWaalsContact O-CB 3.29Å; T117-N121 WeakPolarHBondContact O-CB 3.38Å; T117-N121 PolarHBondContact O-N 2.94Å; T117-L670 HydrophobicContact CG2-CD2 3.64Å; T117-L674 HydrophobicContact CG2-CD1 3.82Å
118V92.9Very high89.1Confident0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-64.4-59.9-172.1-174.30000111.5W47 F108 C120 N121 M122 A440 V443W47-V118 HydrophobicContact CH2-CG2 3.3Å; W47-V118 HydrophobicContact CZ2-CG2 4.3Å; W47-V118 HydrophobicContact CZ3-CG2 3.88Å; F108-V118 HydrophobicContact CZ-CG2 4.5Å; V118-C120 PolarHBondContact O-N 2.76Å; V118-N121 PolarHBondContact O-N 2.91Å; V118-N121 VanDerWaalsContact O-N 3.08Å; V118-M122 HydrophobicContact CG1-CE 4Å; V118-M122 HydrophobicContact CG1-SD 4.36Å; V118-M122 PolarHBondContact O-N 2.77Å; V118-A440 HydrophobicContact CB-CB 4.3Å; V118-A440 HydrophobicContact CG1-CB 3.94Å; V118-V443 HydrophobicContact CG1-CB 4.36Å; V118-V443 HydrophobicContact CG1-CG1 4.1Å
119E94.7Very high89.3Confident11 Ų1134.3 Ų34.35%0.05117%0.173CC..Hα-helixtrans-60-38.6-179.3-177.6-177.6147.400110.5M122 K123 D436 A440 Y597 V665E119-M122 PolarHBondContact O-N 3.2Å; E119-K123 HydrophobicContact CG-CD 4.31Å; E119-K123 WeakPolarHBondContact O-CB 3.44Å; E119-K123 WeakPolarHBondContact O-CG 3.27Å; E119-K123 PolarHBondContact O-N 3.46Å; E119-K123 WeakPolarHBondContact OE1-CE 3.36Å; E119-K123 IonicContact OE1-NZ 2.72Å; E119-K123 PolarHBondContact OE1-NZ 2.99Å; E119-D436 HydrophobicContact CG-CB 4.2Å; E119-A440 HydrophobicContact CB-CB 3.82Å; E119-Y597 VanDerWaalsContact CB-OH 3.32Å; E119-Y597 WeakPolarHBondContact CB-OH 3.46Å; E119-Y597 PolarHBondContact OE2-OH 2.92Å; E119-Y597 VanDerWaalsContact OE2-OH 3.07Å; E119-V665 HydrophobicContact CB-CG2 4.48Å
120C92.6Very high89.9Confident7 Ų735 Ų355%0.04717%0.17CC..Hα-helixtrans-66.4-38.4176.8-67.80000113T117 V118 K123 K124 V665 C667 L670T117-C120 PolarHBondContact O-N 3.22Å; V118-C120 PolarHBondContact O-N 2.76Å; C120-K123 PolarHBondContact O-N 3.13Å; C120-K124 WeakPolarHBondContact O-CB 3.45Å; C120-K124 VanDerWaalsContact O-CG 3.31Å; C120-K124 WeakPolarHBondContact O-CG 3.37Å; C120-K124 PolarHBondContact O-N 3.36Å; C120-V665 WeakPolarHBondContact SG-CG1 3.34Å; C120-C667 WeakPolarHBondContact CA-SG 3.48Å; C120-C667 HydrophobicContact CB-CB 3.73Å; C120-C667 WeakPolarHBondContact CB-SG 3.46Å; C120-C667 WeakPolarHBondContact SG-CA 3.38Å; C120-C667 WeakPolarHBondContact SG-CB 3.45Å; C120-C667 CovalentContact SG-SG 2.04Å; C120-C667 PolarHBondContact SG-SG 3.33Å; C120-L670 HydrophobicContact CB-CD1 4.38Å; C120-L670 VanDerWaalsContact SG-CD1 3.58Å
121N93.8Very high90.7Very high13 Ų1330.5 Ų30.57%0.0717%0.169CC..Hα-helixtrans-68.1-39.7174.9-176.3-82.9000111.5F108 T117 V118 K124 R125F108-N121 HydrophobicContact CE1-CB 4.16Å; F108-N121 HydrophobicContact CZ-CB 4.02Å; T117-N121 VanDerWaalsContact O-CB 3.29Å; T117-N121 WeakPolarHBondContact O-CB 3.38Å; T117-N121 PolarHBondContact O-N 2.94Å; V118-N121 PolarHBondContact O-N 2.91Å; V118-N121 VanDerWaalsContact O-N 3.08Å; N121-K124 PolarHBondContact O-N 3.48Å; N121-R125 WeakPolarHBondContact O-CG 3.42Å; N121-R125 PolarHBondContact O-N 3.02Å; N121-R125 PolarHBondContact O-NE 3.23Å; N121-R125 VanDerWaalsContact OD1-CZ 3.27Å; N121-R125 PolarHBondContact OD1-NE 2.7Å; N121-R125 PolarHBondContact OD1-NH2 3.09Å
122M95.5Very high91.2Very high0 Ų028 Ų280%016%0.155CC..Hα-helixtrans-60.7-47.1172.2-70.7176.6172.500111.7D49 I51 V118 E119 K124 R125 R126 L250 D436 N439 A440 V443D49-M122 HydrophobicContact CB-CE 4.14Å; D49-M122 VanDerWaalsContact OD2-CE 3.28Å; D49-M122 WeakPolarHBondContact OD2-CE 3.48Å; I51-M122 HydrophobicContact CD1-CE 4.37Å; I51-M122 HydrophobicContact CD1-CG 4.39Å; I51-M122 HydrophobicContact CD1-SD 4.27Å; V118-M122 HydrophobicContact CG1-CE 4Å; V118-M122 HydrophobicContact CG1-SD 4.36Å; V118-M122 PolarHBondContact O-N 2.77Å; E119-M122 PolarHBondContact O-N 3.2Å; M122-K124 PolarHBondContact O-N 2.84Å; M122-R125 VanDerWaalsContact CG-NH2 3.26Å; M122-R125 WeakPolarHBondContact O-CB 3.49Å; M122-R125 PolarHBondContact O-N 2.9Å; M122-R125 VanDerWaalsContact O-N 3.16Å; M122-R126 PolarHBondContact O-N 2.9Å; M122-L250 HydrophobicContact CE-CD1 4.24Å; M122-D436 HydrophobicContact CB-CB 3.89Å; M122-N439 HydrophobicContact CE-CB 3.94Å; M122-N439 HydrophobicContact SD-CB 3.76Å; M122-A440 HydrophobicContact SD-CB 4.25Å; M122-V443 HydrophobicContact CE-CG2 3.94Å
123K93.6Very high92Very high66 Ų6628.3 Ų28.329%0.28716%0.157SC..Hα-helixtrans-58.6-45175.2-75.7175.7-179.1172.60112.1E119 C120 R125 R126 L127 D436E119-K123 HydrophobicContact CG-CD 4.31Å; E119-K123 WeakPolarHBondContact O-CB 3.44Å; E119-K123 WeakPolarHBondContact O-CG 3.27Å; E119-K123 PolarHBondContact O-N 3.46Å; E119-K123 WeakPolarHBondContact OE1-CE 3.36Å; E119-K123 IonicContact OE1-NZ 2.72Å; E119-K123 PolarHBondContact OE1-NZ 2.99Å; C120-K123 PolarHBondContact O-N 3.13Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.49Å; K123-R126 PolarHBondContact O-N 3.46Å; K123-L127 WeakPolarHBondContact O-CB 3.42Å; K123-L127 VanDerWaalsContact O-CG 3.26Å; K123-L127 WeakPolarHBondContact O-CG 3.32Å; K123-L127 PolarHBondContact O-N 2.97Å; K123-D436 HydrophobicContact CG-CB 4.08Å; K123-D436 WeakPolarHBondContact CG-OD2 3.23Å
124K92.8Very high92.6Very high69 Ų6928.7 Ų28.730%0.316%0.162SC..Hα-helixtrans-58.5-45.5175.5-76.7-179.7-177.5-172.70111.4E88 I89 C120 N121 M122 L127 D128E88-K124 IonicContact OE1-NZ 3.38Å; E88-K124 PolarHBondContact OE1-NZ 3.19Å; E88-K124 IonicContact OE2-NZ 3.69Å; E88-K124 PolarHBondContact OE2-NZ 3.22Å; I89-K124 HydrophobicContact CD1-CB 4.42Å; C120-K124 WeakPolarHBondContact O-CB 3.45Å; C120-K124 VanDerWaalsContact O-CG 3.31Å; C120-K124 WeakPolarHBondContact O-CG 3.37Å; C120-K124 PolarHBondContact O-N 3.36Å; N121-K124 PolarHBondContact O-N 3.48Å; M122-K124 PolarHBondContact O-N 2.84Å; K124-L127 PolarHBondContact O-N 3.03Å; K124-D128 WeakPolarHBondContact O-CB 3.46Å; K124-D128 PolarHBondContact O-N 2.9Å
125R94.7Very high93.1Very high0 Ų038 Ų380%020%0.203CC..Hα-helixtrans-56.2-51.3174.2-77.7-178.8-84.5168.2-4111.9D49 I51 Y53 I89 W91 G102 N121 M122 K123 L127 D128 L129D49-R125 VanDerWaalsContact CG-NH2 3.32Å; D49-R125 IonicContact OD1-NH2 2.7Å; D49-R125 PolarHBondContact OD1-NH2 3.21Å; D49-R125 VanDerWaalsContact OD1-NH2 3.08Å; D49-R125 IonicContact OD2-CZ 3.47Å; D49-R125 VanDerWaalsContact OD2-CZ 3.22Å; D49-R125 IonicContact OD2-NH1 3.67Å; D49-R125 PolarHBondContact OD2-NH1 3.21Å; D49-R125 IonicContact OD2-NH2 2.6Å; D49-R125 PolarHBondContact OD2-NH2 3.34Å; I51-R125 VanDerWaalsContact CG2-NH1 3.29Å; Y53-R125 WeakPolarHBondContact OH-CB 3.19Å; I89-R125 HydrophobicContact CB-CG 4.31Å; I89-R125 HydrophobicContact CD1-CB 4.34Å; I89-R125 HydrophobicContact CD1-CG 3.72Å; I89-R125 HydrophobicContact CG1-CG 3.73Å; I89-R125 HydrophobicContact CG2-CG 3.65Å; W91-R125 HydrophobicContact CH2-CB 3.77Å; W91-R125 HydrophobicContact CH2-CG 4.28Å; W91-R125 VanDerWaalsContact CH2-O 3.29Å; W91-R125 WeakPolarHBondContact CH2-O 3.35Å; W91-R125 HydrophobicContact CZ2-CB 4.03Å; W91-R125 HydrophobicContact CZ2-CG 4.32Å; W91-R125 WeakPolarHBondContact CZ2-O 3.47Å; G102-R125 PolarHBondContact O-NH1 3.03Å; N121-R125 WeakPolarHBondContact O-CG 3.42Å; N121-R125 PolarHBondContact O-N 3.02Å; N121-R125 PolarHBondContact O-NE 3.23Å; N121-R125 VanDerWaalsContact OD1-CZ 3.27Å; N121-R125 PolarHBondContact OD1-NE 2.7Å; N121-R125 PolarHBondContact OD1-NH2 3.09Å; M122-R125 VanDerWaalsContact CG-NH2 3.26Å; M122-R125 WeakPolarHBondContact O-CB 3.49Å; M122-R125 PolarHBondContact O-N 2.9Å; M122-R125 VanDerWaalsContact O-N 3.16Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.49Å; R125-L127 VanDerWaalsContact C-N 3.35Å; R125-L127 PolarHBondContact O-N 3.34Å; R125-D128 PolarHBondContact O-N 3.44Å; R125-L129 WeakPolarHBondContact O-CB 3.41Å; R125-L129 PolarHBondContact O-N 3.42Å
126R94.7Very high93.6Very high15 Ų1539.6 Ų39.66%0.05721%0.212CC..Hα-helixtrans-60.2-44.2178.9-169.1180-57.8-83.22.9112.4Y53 M122 K123 L129 V130 A139 T141 D436Y53-R126 HydrophobicContact CE1-CB 4.17Å; Y53-R126 HydrophobicContact CE1-CG 4.33Å; M122-R126 PolarHBondContact O-N 2.9Å; K123-R126 PolarHBondContact O-N 3.46Å; R126-L129 PolarHBondContact O-N 3.3Å; R126-V130 HydrophobicContact CG-CG2 4.36Å; R126-V130 WeakPolarHBondContact O-CB 3.42Å; R126-V130 VanDerWaalsContact O-CG2 3.23Å; R126-V130 WeakPolarHBondContact O-CG2 3.2Å; R126-V130 PolarHBondContact O-N 2.95Å; R126-A139 PolarHBondContact NH1-O 3.46Å; R126-T141 PolarHBondContact NH2-OG1 3.43Å; R126-D436 IonicContact CZ-OD1 3.67Å; R126-D436 IonicContact NE-OD1 2.71Å; R126-D436 PolarHBondContact NE-OD1 2.97Å; R126-D436 IonicContact NE-OD2 3.45Å; R126-D436 PolarHBondContact NE-OD2 2.86Å; R126-D436 IonicContact NH2-OD1 3.51Å; R126-D436 PolarHBondContact NH2-OD1 3.07Å
127L93.1Very high94.2Very high124 Ų12438.9 Ų38.965%0.64921%0.209SC*.Hα-helixtrans-64.8-43179.1-69.6171.7000112.2K123 K124 R125 V130 A131K123-L127 WeakPolarHBondContact O-CB 3.42Å; K123-L127 VanDerWaalsContact O-CG 3.26Å; K123-L127 WeakPolarHBondContact O-CG 3.32Å; K123-L127 PolarHBondContact O-N 2.97Å; K124-L127 PolarHBondContact O-N 3.03Å; R125-L127 VanDerWaalsContact C-N 3.35Å; R125-L127 PolarHBondContact O-N 3.34Å; L127-V130 PolarHBondContact O-N 2.6Å; L127-A131 VanDerWaalsContact O-CB 3.27Å; L127-A131 WeakPolarHBondContact O-CB 3.4Å; L127-A131 PolarHBondContact O-N 2.77Å
128D92.7Very high94.6Very high17 Ų1738.7 Ų38.79%0.09121%0.207CC..Hα-helixtrans-62.3-43176.2-177.666.7000111.5M78 I89 W91 K124 R125 N132M78-D128 WeakPolarHBondContact CE-OD2 3.48Å; I89-D128 HydrophobicContact CD1-CB 4.19Å; W91-D128 HydrophobicContact CZ2-CB 4.42Å; W91-D128 PolarHBondContact NE1-OD2 3.44Å; K124-D128 WeakPolarHBondContact O-CB 3.46Å; K124-D128 PolarHBondContact O-N 2.9Å; R125-D128 PolarHBondContact O-N 3.44Å; D128-N132 PolarHBondContact O-ND2 3.01Å
129L94.3Very high94.8Very high0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-64.7-49.8176.5-179.158.9000112Y53 L55 L74 M78 W91 I100 R125 R126 A131 N132 L133 A139Y53-L129 HydrophobicContact CD1-CD2 3.98Å; Y53-L129 HydrophobicContact CD2-CD2 3.94Å; Y53-L129 HydrophobicContact CG-CD2 3.6Å; L55-L129 HydrophobicContact CD2-CD1 4.42Å; L55-L129 HydrophobicContact CD2-CD2 4.15Å; L74-L129 HydrophobicContact CD2-CD1 3.63Å; L74-L129 HydrophobicContact CG-CD1 4.37Å; M78-L129 HydrophobicContact CE-CD1 4.39Å; M78-L129 HydrophobicContact SD-CD1 4.02Å; W91-L129 HydrophobicContact CH2-CB 3.74Å; W91-L129 HydrophobicContact CH2-CD2 4.18Å; W91-L129 HydrophobicContact CH2-CG 4.44Å; W91-L129 HydrophobicContact CZ2-CB 3.94Å; W91-L129 HydrophobicContact CZ3-CD2 4.3Å; I100-L129 HydrophobicContact CD1-CD1 3.93Å; R125-L129 WeakPolarHBondContact O-CB 3.41Å; R125-L129 PolarHBondContact O-N 3.42Å; R126-L129 PolarHBondContact O-N 3.3Å; L129-A131 VanDerWaalsContact C-N 3.3Å; L129-A131 PolarHBondContact O-N 2.89Å; L129-N132 PolarHBondContact O-N 3.05Å; L129-N132 VanDerWaalsContact O-N 3.1Å; L129-L133 PolarHBondContact O-N 3.08Å; L129-A139 HydrophobicContact CD2-CB 3.58Å; L129-A139 HydrophobicContact CG-CB 4.03Å
130V94Very high95Very high51 Ų5138.2 Ų38.231%0.30921%0.205SC..Hα-helixtrans-62.3-36.8-179.8170.50000111.9R126 L127 N132 L133 A139 W645R126-V130 HydrophobicContact CG-CG2 4.36Å; R126-V130 WeakPolarHBondContact O-CB 3.42Å; R126-V130 VanDerWaalsContact O-CG2 3.23Å; R126-V130 WeakPolarHBondContact O-CG2 3.2Å; R126-V130 PolarHBondContact O-N 2.95Å; L127-V130 PolarHBondContact O-N 2.6Å; V130-N132 PolarHBondContact O-N 2.75Å; V130-N132 VanDerWaalsContact O-N 3.16Å; V130-L133 PolarHBondContact O-N 2.63Å; V130-A139 HydrophobicContact CG2-CB 4.1Å; V130-W645 HydrophobicContact CG2-CH2 4.06Å
131A92.7Very high95.2Very high75 Ų7537.9 Ų37.962%0.6220%0.203SC*.THydrogen-bonded Turntrans-65.5-15.3177.500000114L127 L129L127-A131 VanDerWaalsContact O-CB 3.27Å; L127-A131 WeakPolarHBondContact O-CB 3.4Å; L127-A131 PolarHBondContact O-N 2.77Å; L129-A131 VanDerWaalsContact C-N 3.3Å; L129-A131 PolarHBondContact O-N 2.89Å
132N94Very high95.4Very high22 Ų2237.4 Ų37.412%0.11820%0.2CC..THydrogen-bonded Turntrans-107.8-5.9178.3-71-73.4000113.6L74 M78 K81 D128 L129 V130L74-N132 HydrophobicContact CD1-CB 3.67Å; L74-N132 WeakPolarHBondContact CD1-O 3.41Å; M78-N132 HydrophobicContact CG-CB 3.89Å; M78-N132 HydrophobicContact SD-CB 4.33Å; K81-N132 WeakPolarHBondContact CD-OD1 3.47Å; K81-N132 PolarHBondContact NZ-OD1 2.8Å; D128-N132 PolarHBondContact O-ND2 3.01Å; L129-N132 PolarHBondContact O-N 3.05Å; L129-N132 VanDerWaalsContact O-N 3.1Å; V130-N132 PolarHBondContact O-N 2.75Å; V130-N132 VanDerWaalsContact O-N 3.16Å
133L96.4Very high95.6Very high20 Ų2037.5 Ų37.511%0.10520%0.201CC..SBendtrans-75.8154.5176.9-80.8171.8000112.2L55 Y68 L74 L129 V130 C137 A139L55-L133 HydrophobicContact CD1-CD2 4.4Å; L55-L133 HydrophobicContact CD2-CD1 4.39Å; L55-L133 HydrophobicContact CD2-CD2 4.15Å; Y68-L133 HydrophobicContact CD1-CD2 4.25Å; Y68-L133 HydrophobicContact CE1-CD2 4.32Å; L74-L133 HydrophobicContact CD2-CD2 3.45Å; L74-L133 VanDerWaalsContact CD2-CD2 3.45Å; L74-L133 HydrophobicContact CD2-CG 4.07Å; L129-L133 PolarHBondContact O-N 3.08Å; V130-L133 PolarHBondContact O-N 2.63Å; L133-C137 HydrophobicContact CB-CB 4.14Å; L133-C137 HydrophobicContact CD1-CB 4.47Å; L133-C137 HydrophobicContact CD2-CB 4.02Å; L133-C137 HydrophobicContact CG-CB 4.46Å; L133-A139 HydrophobicContact CD1-CB 3.94Å
134P96.6Very high95.8Very high46 Ų4634.6 Ų34.630%0.29919%0.189SC..  trans-54.2151.8163.3-23.533.6000112Y68 D136 C137Y68-P134 HydrophobicContact CE1-CG 4.13Å; Y68-P134 HydrophobicContact CE2-CG 4.46Å; P134-D136 PolarHBondContact O-N 3.33Å; P134-C137 HydrophobicContact CB-CB 4.25Å; P134-C137 HydrophobicContact CG-CB 4.4Å; P134-C137 WeakPolarHBondContact O-CB 3.41Å; P134-C137 PolarHBondContact O-N 2.77Å
135E94.5Very high96.1Very high207 Ų20731.5 Ų31.597%0.96718%0.175SC*.THydrogen-bonded Turntrans-59.3-30.1-175.7-69.4-174.2169.400113.9C137E135-C137 VanDerWaalsContact C-N 3.32Å
136D96.7Very high96.3Very high47 Ų4731.6 Ų31.625%0.25118%0.176SC..THydrogen-bonded Turntrans-89.76.7178.264.7-33.6000113.3R57 I58 P60 P134R57-D136 CarbonylContact C-O 3.5Å; R57-D136 WeakPolarHBondContact CA-O 3.41Å; R57-D136 WeakPolarHBondContact CD-OD2 3.46Å; R57-D136 WeakPolarHBondContact CG-OD2 3.47Å; R57-D136 IonicContact CZ-OD2 2.81Å; R57-D136 IonicContact NE-OD2 3.24Å; R57-D136 PolarHBondContact NE-OD2 3.3Å; R57-D136 IonicContact NH2-OD2 3.28Å; I58-D136 PolarHBondContact N-O 3.1Å; P60-D136 HydrophobicContact CG-CB 3.92Å; P134-D136 PolarHBondContact O-N 3.33Å
137C98.1Very high96.4Very high9 Ų931.6 Ų31.66%0.06118%0.176CC..EExtended strand (participates in β ladder)trans-111.9148.1-179.3-70.40000113V56 L133 P134 E135V56-C137 CarbonylContact O-C 3.59Å; V56-C137 VanDerWaalsContact O-CA 3.26Å; V56-C137 WeakPolarHBondContact O-CA 3.45Å; L133-C137 HydrophobicContact CB-CB 4.14Å; L133-C137 HydrophobicContact CD1-CB 4.47Å; L133-C137 HydrophobicContact CD2-CB 4.02Å; L133-C137 HydrophobicContact CG-CB 4.46Å; P134-C137 HydrophobicContact CB-CB 4.25Å; P134-C137 HydrophobicContact CG-CB 4.4Å; P134-C137 WeakPolarHBondContact O-CB 3.41Å; P134-C137 PolarHBondContact O-N 2.77Å; E135-C137 VanDerWaalsContact C-N 3.32Å
138I97.7Very high96.7Very high14 Ų1425.7 Ų25.77%0.07215%0.145CC..EExtended strand (participates in β ladder)trans-130159.4178.564.1170.3000110.5V56 I58 L140 I641 W645V56-I138 HydrophobicContact CB-CD1 4.34Å; V56-I138 HydrophobicContact CB-CG1 3.84Å; V56-I138 PolarHBondContact N-O 3.11Å; V56-I138 WeakPolarHBondContact O-CG1 3.41Å; V56-I138 PolarHBondContact O-N 3.26Å; I58-I138 HydrophobicContact CD1-CD1 4.21Å; I58-I138 HydrophobicContact CG1-CD1 4.35Å; I138-L140 HydrophobicContact CD1-CD1 3.86Å; I138-L140 HydrophobicContact CD1-CD2 4.49Å; I138-L140 HydrophobicContact CD1-CG 3.94Å; I138-L140 HydrophobicContact CG1-CG 4.45Å; I138-I641 HydrophobicContact CD1-CG2 4.38Å; I138-W645 HydrophobicContact CB-CD2 4.02Å; I138-W645 HydrophobicContact CB-CE3 4.35Å; I138-W645 HydrophobicContact CB-CG 4.46Å; I138-W645 HydrophobicContact CB-CH2 4.45Å; I138-W645 HydrophobicContact CB-CZ2 4.11Å; I138-W645 HydrophobicContact CD1-CB 3.77Å; I138-W645 HydrophobicContact CD1-CD2 4Å; I138-W645 HydrophobicContact CD1-CE3 4.46Å; I138-W645 HydrophobicContact CD1-CG 3.69Å; I138-W645 HydrophobicContact CG2-CD2 4.07Å; I138-W645 HydrophobicContact CG2-CG 4.27Å; I138-W645 HydrophobicContact CG2-CZ2 3.94Å
139A97.8Very high96.9Very high0 Ų025.2 Ų25.20%014%0.144CC..EExtended strand (participates in β ladder)trans-116.8107.6175.700000110.7Y53 L55 R126 L129 V130 L133 W645Y53-A139 HydrophobicContact CD1-CB 4.29Å; L55-A139 HydrophobicContact CD2-CB 4.39Å; R126-A139 PolarHBondContact NH1-O 3.46Å; L129-A139 HydrophobicContact CD2-CB 3.58Å; L129-A139 HydrophobicContact CG-CB 4.03Å; V130-A139 HydrophobicContact CG2-CB 4.1Å; L133-A139 HydrophobicContact CD1-CB 3.94Å; A139-W645 WeakPolarHBondContact O-CZ3 3.34Å
140L98.1Very high97Very high0 Ų025.6 Ų25.60%015%0.147CC..EExtended strand (participates in β ladder)trans-102.2148.2-179.7-76.2174.1000111.7T54 V56 I138 I142 I641 C644 W645T54-L140 PolarHBondContact N-O 2.82Å; T54-L140 PolarHBondContact O-N 3.41Å; V56-L140 HydrophobicContact CG2-CD1 4.17Å; I138-L140 HydrophobicContact CD1-CD1 3.86Å; I138-L140 HydrophobicContact CD1-CD2 4.49Å; I138-L140 HydrophobicContact CD1-CG 3.94Å; I138-L140 HydrophobicContact CG1-CG 4.45Å; L140-I142 HydrophobicContact CB-CG1 4.23Å; L140-I142 HydrophobicContact CB-CG2 4.18Å; L140-I142 HydrophobicContact CD1-CG2 4.5Å; L140-I641 HydrophobicContact CD1-CD1 4.22Å; L140-I641 HydrophobicContact CD1-CG2 3.84Å; L140-C644 HydrophobicContact CD2-CB 4.3Å; L140-W645 HydrophobicContact CD2-CB 4.1Å; L140-W645 HydrophobicContact CD2-CE3 3.78Å; L140-W645 HydrophobicContact CG-CE3 4.48Å
141T98.3Very high96.9Very high0 Ų030.2 Ų30.20%017%0.17CC..  trans-103.677.516843.20000108.6I51 Y53 R126 L432 Q433 L434I51-T141 HydrophobicContact CD1-CG2 3.84Å; I51-T141 HydrophobicContact CG1-CG2 4.16Å; Y53-T141 HydrophobicContact CD1-CG2 3.73Å; Y53-T141 HydrophobicContact CE1-CG2 3.77Å; Y53-T141 HydrophobicContact CG-CG2 4.48Å; R126-T141 PolarHBondContact NH2-OG1 3.43Å; T141-L432 HydrophobicContact CG2-CD1 4.36Å; T141-L432 HydrophobicContact CG2-CD2 3.93Å; T141-L432 HydrophobicContact CG2-CG 4.31Å; T141-Q433 VanDerWaalsContact CB-O 3.24Å; T141-Q433 WeakPolarHBondContact CB-O 3.45Å; T141-Q433 CarbonylContact O-C 3.52Å; T141-Q433 VanDerWaalsContact O-C 3.27Å; T141-Q433 PolarHBondContact OG1-O 3.5Å; T141-L434 PolarHBondContact OG1-O 3.42Å
142I98.3Very high96.9Very high4 Ų429.4 Ų29.42%0.02116%0.155CC..  trans-115.3140.6177.855.7171.3000110T54 L140 F145 S248 L434 I641T54-I142 HydrophobicContact CG2-CD1 4.18Å; T54-I142 HydrophobicContact CG2-CG1 4.24Å; L140-I142 HydrophobicContact CB-CG1 4.23Å; L140-I142 HydrophobicContact CB-CG2 4.18Å; L140-I142 HydrophobicContact CD1-CG2 4.5Å; I142-F145 HydrophobicContact CD1-CB 4.46Å; I142-F145 HydrophobicContact CD1-CD2 4.16Å; I142-S248 VanDerWaalsContact O-CB 3.29Å; I142-S248 WeakPolarHBondContact O-CB 3.48Å; I142-S248 PolarHBondContact O-OG 3.36Å; I142-L434 HydrophobicContact CG2-CD2 3.63Å; I142-I641 HydrophobicContact CD1-CD1 4Å
143S98.4Very high97.1Very high1 Ų128.6 Ų28.61%0.00715%0.151CC..SBendtrans-72.3-37.3179.6-890000114C247 S248 T283 L432S143-C247 CarbonylContact O-C 3.48Å; S143-C247 WeakPolarHBondContact O-CA 3.28Å; S143-C247 WeakPolarHBondContact O-CB 3.26Å; S143-S248 WeakPolarHBondContact CA-O 3.46Å; S143-S248 PolarHBondContact O-N 2.85Å; S143-S248 PolarHBondContact OG-O 2.62Å; S143-T283 VanDerWaalsContact CB-OG1 3.31Å; S143-T283 WeakPolarHBondContact CB-OG1 3.31Å; S143-L432 PolarHBondContact OG-N 2.89Å
144A98.3Very high97.2Very high5 Ų527.7 Ų27.74%0.04115%0.146CC..SBendtrans-143.1139.4175.600000110.4P146 T283A144-P146 WeakPolarHBondContact O-CD 3.08Å; A144-T283 HydrophobicContact CB-CG2 3.6Å
145F98.6Very high97.2Very high4 Ų430 Ų302%0.01815%0.149CC..  trans-76.4120.1172-173.1-104.3000109.7V56 L67 I142 R147 L148 F153 N637 I641V56-F145 HydrophobicContact CG1-CE2 4.47Å; L67-F145 HydrophobicContact CD1-CB 3.97Å; L67-F145 HydrophobicContact CD1-CD1 3.91Å; L67-F145 HydrophobicContact CD1-CG 3.95Å; L67-F145 HydrophobicContact CD2-CB 3.99Å; L67-F145 HydrophobicContact CD2-CD1 4.33Å; L67-F145 HydrophobicContact CD2-CD2 3.68Å; L67-F145 HydrophobicContact CD2-CE2 4.2Å; L67-F145 HydrophobicContact CD2-CG 3.75Å; L67-F145 HydrophobicContact CG-CB 4.24Å; L67-F145 HydrophobicContact CG-CD1 3.85Å; L67-F145 HydrophobicContact CG-CD2 4.05Å; L67-F145 HydrophobicContact CG-CE1 4.16Å; L67-F145 HydrophobicContact CG-CE2 4.34Å; L67-F145 HydrophobicContact CG-CG 3.79Å; L67-F145 HydrophobicContact CG-CZ 4.39Å; I142-F145 HydrophobicContact CD1-CB 4.46Å; I142-F145 HydrophobicContact CD1-CD2 4.16Å; F145-R147 HydrophobicContact CD1-CB 4.4Å; F145-R147 HydrophobicContact CE1-CB 3.96Å; F145-R147 PolarHBondContact O-N 3.15Å; F145-R147 VanDerWaalsContact O-N 3.08Å; F145-L148 HydrophobicContact CB-CB 4.36Å; F145-L148 HydrophobicContact CD1-CB 4.5Å; F145-L148 VanDerWaalsContact O-CB 3.31Å; F145-L148 WeakPolarHBondContact O-CB 3.43Å; F145-L148 PolarHBondContact O-N 3.49Å; F145-F153 HydrophobicContact CE1-CB 4.37Å; F145-N637 VanDerWaalsContact CZ-ND2 3.31Å; F145-N637 WeakPolarHBondContact CZ-ND2 3.26Å; F145-I641 HydrophobicContact CD2-CD1 3.98Å; F145-I641 HydrophobicContact CE2-CD1 3.89Å; F145-I641 HydrophobicContact CE2-CG1 4.01Å
146P98.7Very high97.4Very high2 Ų223.3 Ų23.31%0.01312%0.124CC..THydrogen-bonded Turntrans-57.8-32.8-168.6-28.335.3000114.7A144 A285 I286 R287 G288 M616 I632A144-P146 WeakPolarHBondContact O-CD 3.08Å; P146-A285 HydrophobicContact CB-CB 3.85Å; P146-A285 HydrophobicContact CG-CB 4.5Å; P146-I286 CarbonylContact O-C 3.6Å; P146-I286 VanDerWaalsContact O-CA 3.28Å; P146-I286 WeakPolarHBondContact O-CA 3.45Å; P146-R287 PolarHBondContact O-N 2.92Å; P146-G288 PolarHBondContact O-N 3.26Å; P146-M616 HydrophobicContact CG-SD 4.14Å; P146-I632 HydrophobicContact CB-CD1 4.29Å
147R98.2Very high97.4Very high15 Ų1525.6 Ų25.66%0.05714%0.139CC..THydrogen-bonded Turntrans-102.421.3179.1-75.8-172.262.989.8-3.9114.2F145 G149 C150 D152 F153 Y631 I632 N637F145-R147 HydrophobicContact CD1-CB 4.4Å; F145-R147 HydrophobicContact CE1-CB 3.96Å; F145-R147 PolarHBondContact O-N 3.15Å; F145-R147 VanDerWaalsContact O-N 3.08Å; R147-G149 PolarHBondContact O-N 3.35Å; R147-C150 HydrophobicContact CB-CB 4.14Å; R147-C150 VanDerWaalsContact O-CB 3.28Å; R147-C150 WeakPolarHBondContact O-CB 3.34Å; R147-C150 PolarHBondContact O-N 2.88Å; R147-D152 IonicContact NH2-OD1 2.71Å; R147-F153 VanDerWaalsContact O-CB 3.26Å; R147-F153 WeakPolarHBondContact O-CB 3.42Å; R147-Y631 PolarHBondContact NH1-OH 2.73Å; R147-I632 HydrophobicContact CG-CG2 4.44Å; R147-I632 PolarHBondContact NH1-O 2.94Å; R147-N637 HydrophobicContact CG-CB 3.81Å
148L98.4Very high97.2Very high1 Ų127.1 Ų27.11%0.00515%0.148CC..THydrogen-bonded Turntrans-53.5125.8178.8-17958.8000110.5L67 Y98 F145 C150 F153 F172 F243 I286 R287L67-L148 HydrophobicContact CD1-CD1 3.74Å; Y98-L148 HydrophobicContact CE1-CD1 4.4Å; Y98-L148 WeakPolarHBondContact OH-CD1 3.49Å; F145-L148 HydrophobicContact CB-CB 4.36Å; F145-L148 HydrophobicContact CD1-CB 4.5Å; F145-L148 VanDerWaalsContact O-CB 3.31Å; F145-L148 WeakPolarHBondContact O-CB 3.43Å; F145-L148 PolarHBondContact O-N 3.49Å; L148-C150 VanDerWaalsContact C-N 3.29Å; L148-C150 PolarHBondContact O-N 2.84Å; L148-F153 HydrophobicContact CD1-CD2 3.82Å; L148-F153 HydrophobicContact CD1-CE2 3.47Å; L148-F153 VanDerWaalsContact CD1-CE2 3.47Å; L148-F153 HydrophobicContact CD1-CZ 4.31Å; L148-F172 HydrophobicContact CD1-CD2 4.31Å; L148-F172 HydrophobicContact CD1-CE2 3.95Å; L148-F243 HydrophobicContact CD2-CD1 3.99Å; L148-F243 HydrophobicContact CG-CD1 4.01Å; L148-F243 HydrophobicContact CG-CE1 4.1Å; L148-F243 WeakPolarHBondContact O-CE1 3.25Å; L148-I286 HydrophobicContact CB-CG1 4.22Å; L148-I286 HydrophobicContact CD2-CD1 4.38Å; L148-R287 VanDerWaalsContact O-CA 3.24Å; L148-R287 WeakPolarHBondContact O-CA 3.3Å; L148-R287 PolarHBondContact O-N 3.11Å
149G96.7Very high97.1Very high6 Ų635.1 Ų35.16%0.06218%0.182CC..THydrogen-bonded Turntrans74.56.7-178.600000115.9R147R147-G149 PolarHBondContact O-N 3.35Å
150C96.3Very high96.9Very high9 Ų937.2 Ų37.26%0.06120%0.196CC..SBendtrans-72.1167.7160.4-67.50000110.5R147 L148 F153 R287 G288R147-C150 HydrophobicContact CB-CB 4.14Å; R147-C150 VanDerWaalsContact O-CB 3.28Å; R147-C150 WeakPolarHBondContact O-CB 3.34Å; R147-C150 PolarHBondContact O-N 2.88Å; L148-C150 VanDerWaalsContact C-N 3.29Å; L148-C150 PolarHBondContact O-N 2.84Å; C150-F153 WeakPolarHBondContact O-CB 3.31Å; C150-F153 WeakPolarHBondContact O-CD1 3.4Å; C150-F153 PolarHBondContact O-N 2.74Å; C150-R287 PolarHBondContact SG-O 3.37Å; C150-G288 PolarHBondContact SG-N 3.29Å
151D92.7Very high96.7Very high148 Ų14839.7 Ų39.779%0.79121%0.211SC*.THydrogen-bonded Turntrans-49.7-80.4-173.9-72.4-36.8000114.6F153D151-F153 PolarHBondContact O-N 3.07Å
152D93Very high96.4Very high58 Ų5841.3 Ų41.331%0.3122%0.222SC..THydrogen-bonded Turntrans-73.322.6-176.854.6-13.4000116.2Q66 R147 C154Q66-D152 PolarHBondContact NE2-O 2.78Å; R147-D152 IonicContact NH2-OD1 2.71Å; D152-C154 PolarHBondContact O-N 2.78Å
153F97.3Very high96Very high5 Ų548.1 Ų48.12%0.02226%0.258CS..  trans-67.3-14.9-164.485.9-78.1000115.9Q66 L67 F145 R147 L148 C150 D151 P173 A176Q66-F153 CarbonylContact C-O 3.47Å; Q66-F153 WeakPolarHBondContact CA-O 3.5Å; L67-F153 HydrophobicContact CD1-CD2 3.76Å; L67-F153 HydrophobicContact CD1-CE2 3.85Å; L67-F153 HydrophobicContact CG-CD2 4.38Å; L67-F153 PolarHBondContact N-O 3.4Å; F145-F153 HydrophobicContact CE1-CB 4.37Å; R147-F153 VanDerWaalsContact O-CB 3.26Å; R147-F153 WeakPolarHBondContact O-CB 3.42Å; L148-F153 HydrophobicContact CD1-CD2 3.82Å; L148-F153 HydrophobicContact CD1-CE2 3.47Å; L148-F153 VanDerWaalsContact CD1-CE2 3.47Å; L148-F153 HydrophobicContact CD1-CZ 4.31Å; C150-F153 WeakPolarHBondContact O-CB 3.31Å; C150-F153 WeakPolarHBondContact O-CD1 3.4Å; C150-F153 PolarHBondContact O-N 2.74Å; D151-F153 PolarHBondContact O-N 3.07Å; F153-P173 HydrophobicContact CE1-CG 3.99Å; F153-P173 HydrophobicContact CZ-CG 4.08Å; F153-A176 HydrophobicContact CZ-CB 4.34Å
154C98.1Very high95.8Very high1 Ų151.2 Ų51.21%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-134157.4-175.160.80000113.1Q66 L67 L69 D152 P156 V157 V158Q66-C154 PolarHBondContact NE2-O 3.48Å; L67-C154 HydrophobicContact CB-CB 4.26Å; L67-C154 CarbonylContact O-C 3.58Å; L67-C154 VanDerWaalsContact O-CA 3.22Å; L67-C154 WeakPolarHBondContact O-CA 3.33Å; L67-C154 WeakPolarHBondContact O-CB 3.44Å; L69-C154 HydrophobicContact CD1-CB 4.05Å; L69-C154 HydrophobicContact CD2-CB 3.92Å; L69-C154 HydrophobicContact CG-CB 3.94Å; D152-C154 PolarHBondContact O-N 2.78Å; C154-P156 CarbonylContact O-C 3.16Å; C154-V157 WeakPolarHBondContact O-CA 3.41Å; C154-V157 PolarHBondContact O-N 3.14Å; C154-V158 WeakPolarHBondContact SG-CG2 3.47Å
155Y97.9Very high95.5Very high93 Ų9352.9 Ų52.937%0.36530%0.298SS..EExtended strand (participates in β ladder)trans-125.7130.8175.2-179.8-92.1000111L67 Y68 L69L67-Y155 PolarHBondContact O-N 3.29Å; Y68-Y155 HydrophobicContact CD2-CD1 4.1Å; Y68-Y155 HydrophobicContact CE2-CD1 4.39Å; L69-Y155 PolarHBondContact N-O 3.25Å
156P97.2Very high95.4Very high68 Ų6853.3 Ų53.344%0.44230%0.302SS..SBendcis-60.8152.2-7.727.1-35.7000111.7C154 V158C154-P156 CarbonylContact O-C 3.16Å; P156-V158 PolarHBondContact O-N 2.93Å
157V96.5Very high95.3Very high95 Ų9553.4 Ų53.458%0.57630%0.302SS*.  trans-65.3119.8179.41790000109.1C154C154-V157 WeakPolarHBondContact O-CA 3.41Å; C154-V157 PolarHBondContact O-N 3.14Å
158V95.9Very high95.1Very high40 Ų4057.9 Ų57.924%0.24232%0.319CS..  trans-128.3141.1-179.2-74.90000110.1L69 C154 P156 P173 A175L69-V158 HydrophobicContact CD1-CG2 3.58Å; C154-V158 WeakPolarHBondContact SG-CG2 3.47Å; P156-V158 PolarHBondContact O-N 2.93Å; V158-P173 HydrophobicContact CB-CB 4.26Å; V158-P173 HydrophobicContact CB-CG 4.44Å; V158-P173 HydrophobicContact CG2-CB 3.87Å; V158-P173 HydrophobicContact CG2-CG 3.58Å; V158-A175 HydrophobicContact CB-CB 4.22Å; V158-A175 HydrophobicContact CG1-CB 4.05Å; V158-A175 HydrophobicContact CG2-CB 4.06Å
159K94.4Very high94.9Very high182 Ų18257.8 Ų57.879%0.79132%0.319SS*.  trans-94.8145.1-178.8-68-172.5177.4-175.40111.5
160P94.4Very high94.8Very high44 Ų4458.5 Ų58.529%0.28632%0.321SS..  trans-65.9154.7171.927.1-32.7000111.9P162 L170P160-P162 WeakPolarHBondContact O-CD 3.47Å; P160-L170 VanDerWaalsContact CG-O 3.23Å; P160-L170 WeakPolarHBondContact CG-O 3.37Å
161T93.3Very high94.7Very high52 Ų5258.9 Ų58.932%0.31932%0.322SS..  trans-118.881-179.754.30000110D163 S164 R168T161-D163 PolarHBondContact O-N 2.93Å; T161-S164 PolarHBondContact O-N 3.43Å; T161-S164 PolarHBondContact OG1-O 3.07Å; T161-S164 VanDerWaalsContact OG1-O 3.07Å; T161-R168 WeakPolarHBondContact O-CA 3.46Å
162P92.2Very high94.9Very high34 Ų3451.9 Ų51.922%0.22128%0.284CS..THydrogen-bonded Turntrans-64.8-25.3-174.925.1-34.6000113.9P160 R168 L170P160-P162 WeakPolarHBondContact O-CD 3.47Å; P162-R168 WeakPolarHBondContact O-CB 3.41Å; P162-L170 HydrophobicContact CB-CD2 4.04Å
163D89.9Confident95.1Very high148 Ų14849.1 Ų49.179%0.79127%0.27SS*.THydrogen-bonded Turntrans-93.8-7.5-177.2-55.3-52.2000113.7T161T161-D163 PolarHBondContact O-N 2.93Å
164S93.2Very high95.1Very high65 Ų6550.2 Ų50.246%0.45528%0.276SS..SBendtrans-152.4175.1-17469.20000112.8T161T161-S164 PolarHBondContact O-N 3.43Å; T161-S164 PolarHBondContact OG1-O 3.07Å; T161-S164 VanDerWaalsContact OG1-O 3.07Å
165G93.5Very high95Very high41 Ų4152 Ų5242%0.42329%0.291SS..THydrogen-bonded Turntrans82.5-176.8-179.500000114.9D174G165-D174 WeakPolarHBondContact CA-OD2 3.49Å
166A95.9Very high95Very high12 Ų1247.6 Ų47.610%0.09927%0.274CS..THydrogen-bonded Turntrans-69.3-53.4-176.800000111.6D174 I177 T188 R189 R192A166-D174 PolarHBondContact N-OD2 3.02Å; A166-I177 HydrophobicContact CB-CD1 4.44Å; A166-T188 HydrophobicContact CB-CG2 4.26Å; A166-R189 HydrophobicContact CB-CB 4.21Å; A166-R192 PolarHBondContact O-NE 3.12Å; A166-R192 PolarHBondContact O-NH2 3Å; A166-R192 VanDerWaalsContact O-NH2 3.08Å
167S95.7Very high95.1Very high4 Ų444.4 Ų44.43%0.02825%0.253CS..THydrogen-bonded Turntrans-79.3-39.1-174.765.90000113.5S169 F172 D174 R192S167-S169 PolarHBondContact O-N 3.15Å; S167-S169 PolarHBondContact OG-N 3.25Å; S167-F172 PolarHBondContact OG-O 3.47Å; S167-D174 VanDerWaalsContact CB-OD1 3.32Å; S167-D174 WeakPolarHBondContact CB-OD1 3.23Å; S167-D174 PolarHBondContact N-OD1 2.85Å; S167-D174 PolarHBondContact OG-OD1 3.37Å; S167-R192 WeakPolarHBondContact O-CD 3.47Å
168R94.6Very high95.1Very high109 Ų10939.9 Ų39.941%0.41123%0.226SC..  trans53.528.2-167.8-60.3-171.9-174.5-1690.6113.1T161 P162 K198T161-R168 WeakPolarHBondContact O-CA 3.46Å; P162-R168 WeakPolarHBondContact O-CB 3.41Å; R168-K198 VanDerWaalsContact O-CD 3.29Å; R168-K198 WeakPolarHBondContact O-CD 3.26Å; R168-K198 PolarHBondContact O-NZ 3.16Å
169S95Very high95Very high0 Ų042.4 Ų42.40%024%0.235CC..  trans-70.8149.4-1771770000111.5S167 F171 F172 D239S167-S169 PolarHBondContact O-N 3.15Å; S167-S169 PolarHBondContact OG-N 3.25Å; S169-F171 VanDerWaalsContact C-N 3.28Å; S169-F171 PolarHBondContact OG-N 2.8Å; S169-F172 WeakPolarHBondContact CB-O 3.38Å; S169-F172 PolarHBondContact OG-N 2.8Å; S169-D239 WeakPolarHBondContact CA-OD2 3.44Å; S169-D239 WeakPolarHBondContact CB-OD1 3.37Å; S169-D239 PolarHBondContact OG-OD1 2.94Å
170L93.6Very high94.6Very high21 Ų2135.9 Ų35.911%0.1121%0.207CC..SBendtrans-72.6-21.7167.9-67-179.9000112.9P160 P162 F219 D224 S227 D239P160-L170 VanDerWaalsContact CG-O 3.23Å; P160-L170 WeakPolarHBondContact CG-O 3.37Å; P162-L170 HydrophobicContact CB-CD2 4.04Å; L170-F219 HydrophobicContact CD1-CD1 4.33Å; L170-F219 HydrophobicContact CD1-CG 4.33Å; L170-D224 HydrophobicContact CD2-CB 4.01Å; L170-S227 VanDerWaalsContact CD1-CB 3.47Å; L170-S227 WeakPolarHBondContact CD1-OG 3.42Å; L170-D239 PolarHBondContact N-OD2 3.34Å
171F94.8Very high94.4Very high17 Ų1734.3 Ų34.38%0.07520%0.196CC..SBendtrans-128.5-34.3-164.3-48.2-64000113.3S169 P173 F219 Y237 D239 F243S169-F171 VanDerWaalsContact C-N 3.28Å; S169-F171 PolarHBondContact OG-N 2.8Å; F171-P173 WeakPolarHBondContact O-CD 3.32Å; F171-F219 HydrophobicContact CE1-CD1 4.24Å; F171-F219 AromaticContact CZ-CD1 3.7Å; F171-F219 HydrophobicContact CZ-CD1 3.7Å; F171-F219 AromaticContact CZ-CE1 3.77Å; F171-F219 HydrophobicContact CZ-CE1 3.77Å; F171-Y237 AromaticContact CE2-CD1 3.95Å; F171-Y237 HydrophobicContact CE2-CD1 3.95Å; F171-Y237 HydrophobicContact CE2-CE1 4.35Å; F171-Y237 WeakPolarHBondContact CE2-O 3.33Å; F171-Y237 HydrophobicContact CZ-CD1 4.37Å; F171-D239 WeakPolarHBondContact CD2-OD1 3.3Å; F171-F243 HydrophobicContact CB-CE2 3.98Å; F171-F243 HydrophobicContact CB-CZ 3.6Å; F171-F243 HydrophobicContact CD2-CE2 4.08Å; F171-F243 HydrophobicContact CD2-CZ 4.11Å; F171-F243 HydrophobicContact CG-CZ 4.22Å
172F96.6Very high94.3Very high0 Ų034 Ų340%020%0.195CC..  trans-103.1112.1-171.5-162.7-77.3000111Y95 Y98 L148 S167 S169 A176 I177 A240 G242 F243Y95-F172 HydrophobicContact CE1-CE1 4.35Å; Y95-F172 HydrophobicContact CE1-CZ 4.22Å; Y98-F172 HydrophobicContact CE1-CE2 4.43Å; Y98-F172 HydrophobicContact CE1-CZ 4.2Å; L148-F172 HydrophobicContact CD1-CD2 4.31Å; L148-F172 HydrophobicContact CD1-CE2 3.95Å; S167-F172 PolarHBondContact OG-O 3.47Å; S169-F172 WeakPolarHBondContact CB-O 3.38Å; S169-F172 PolarHBondContact OG-N 2.8Å; F172-A176 HydrophobicContact CD1-CB 4.27Å; F172-A176 HydrophobicContact CE1-CB 3.54Å; F172-A176 HydrophobicContact CE2-CB 4.49Å; F172-A176 HydrophobicContact CZ-CB 3.66Å; F172-I177 HydrophobicContact CE1-CG1 3.96Å; F172-A240 HydrophobicContact CB-CB 3.68Å; F172-A240 HydrophobicContact CG-CB 4.23Å; F172-G242 WeakPolarHBondContact CE2-O 3.18Å; F172-F243 HydrophobicContact CB-CE2 4.11Å
173P97Very high94.2Very high1 Ų133.5 Ų33.51%0.00619%0.188CC..  trans-73.4141.4178.427.8-31.2000112.1F153 V158 F171 A175 A176F153-P173 HydrophobicContact CE1-CG 3.99Å; F153-P173 HydrophobicContact CZ-CG 4.08Å; V158-P173 HydrophobicContact CB-CB 4.26Å; V158-P173 HydrophobicContact CB-CG 4.44Å; V158-P173 HydrophobicContact CG2-CB 3.87Å; V158-P173 HydrophobicContact CG2-CG 3.58Å; F171-P173 WeakPolarHBondContact O-CD 3.32Å; P173-A175 PolarHBondContact O-N 2.86Å; P173-A175 VanDerWaalsContact O-N 3.12Å; P173-A176 HydrophobicContact CG-CB 4.05Å; P173-A176 WeakPolarHBondContact O-CB 3.28Å; P173-A176 PolarHBondContact O-N 2.78Å
174D97.1Very high94.5Very high28 Ų2826.6 Ų26.615%0.1515%0.151CC..G310 helixtrans-62.1-20.3176.2-83.57.8000113.7G165 A166 S167 A176 I177G165-D174 WeakPolarHBondContact CA-OD2 3.49Å; A166-D174 PolarHBondContact N-OD2 3.02Å; S167-D174 VanDerWaalsContact CB-OD1 3.32Å; S167-D174 WeakPolarHBondContact CB-OD1 3.23Å; S167-D174 PolarHBondContact N-OD1 2.85Å; S167-D174 PolarHBondContact OG-OD1 3.37Å; D174-A176 PolarHBondContact O-N 3.2Å; D174-I177 WeakPolarHBondContact O-CB 2.92Å; D174-I177 PolarHBondContact O-N 2.92Å
175A97.1Very high94.6Very high39 Ų3926.7 Ų26.732%0.32214%0.144SC..G310 helixtrans-67.9-21.417200000112.7V158 P173 I177 Q179V158-A175 HydrophobicContact CB-CB 4.22Å; V158-A175 HydrophobicContact CG1-CB 4.05Å; V158-A175 HydrophobicContact CG2-CB 4.06Å; P173-A175 PolarHBondContact O-N 2.86Å; P173-A175 VanDerWaalsContact O-N 3.12Å; A175-I177 VanDerWaalsContact C-N 3.32Å; A175-Q179 PolarHBondContact O-NE2 2.99Å
176A98Very high94.7Very high0 Ų024.9 Ų24.90%012%0.124CC..G310 helixtrans-84.6-5.1174.700000113.4L69 A96 E97 Y98 F153 F172 P173 D174L69-A176 HydrophobicContact CD1-CB 4.37Å; L69-A176 HydrophobicContact CD2-CB 4Å; A96-A176 CarbonylContact C-O 3.44Å; A96-A176 WeakPolarHBondContact CA-O 3.31Å; E97-A176 PolarHBondContact N-O 2.96Å; Y98-A176 HydrophobicContact CD1-CB 4.49Å; Y98-A176 HydrophobicContact CE1-CB 4.15Å; F153-A176 HydrophobicContact CZ-CB 4.34Å; F172-A176 HydrophobicContact CD1-CB 4.27Å; F172-A176 HydrophobicContact CE1-CB 3.54Å; F172-A176 HydrophobicContact CE2-CB 4.49Å; F172-A176 HydrophobicContact CZ-CB 3.66Å; P173-A176 HydrophobicContact CG-CB 4.05Å; P173-A176 WeakPolarHBondContact O-CB 3.28Å; P173-A176 PolarHBondContact O-N 2.78Å; D174-A176 PolarHBondContact O-N 3.2Å
177I98.1Very high94.7Very high0 Ų024.6 Ų24.60%012%0.121CC..BIsolated β-bridgetrans-80.9142.5165.6-49.4178.5000107.3Y95 A166 F172 D174 A175 Q179 F184 K185 T188Y95-I177 HydrophobicContact CE1-CG1 4.25Å; Y95-I177 HydrophobicContact CE1-CG2 4.45Å; Y95-I177 HydrophobicContact CE2-CG2 4.12Å; A166-I177 HydrophobicContact CB-CD1 4.44Å; F172-I177 HydrophobicContact CE1-CG1 3.96Å; D174-I177 WeakPolarHBondContact O-CB 2.92Å; D174-I177 PolarHBondContact O-N 2.92Å; A175-I177 VanDerWaalsContact C-N 3.32Å; I177-Q179 PolarHBondContact O-N 3.41Å; I177-Q179 PolarHBondContact O-NE2 3.19Å; I177-F184 HydrophobicContact CG2-CB 3.86Å; I177-K185 HydrophobicContact CB-CG 4.12Å; I177-K185 HydrophobicContact CD1-CG 4.35Å; I177-K185 HydrophobicContact CG2-CG 3.7Å; I177-T188 HydrophobicContact CD1-CG2 4.11Å
178T96.3Very high94.8Very high1 Ų124.7 Ų24.71%0.00612%0.122CC..  trans-55.9141.2-177.3-177.50000112.8S72 E94 Y95 E97 E180 F184S72-T178 PolarHBondContact OG-OG1 3.2Å; E94-T178 WeakPolarHBondContact O-CB 3.44Å; E94-T178 WeakPolarHBondContact O-CG2 3.44Å; Y95-T178 PolarHBondContact O-N 3.18Å; E97-T178 WeakPolarHBondContact OE2-CA 3.37Å; E97-T178 PolarHBondContact OE2-OG1 3.47Å; T178-E180 PolarHBondContact OG1-N 2.85Å; T178-F184 HydrophobicContact CG2-CB 3.86Å; T178-F184 HydrophobicContact CG2-CD2 3.03Å; T178-F184 HydrophobicContact CG2-CE2 3.57Å; T178-F184 HydrophobicContact CG2-CG 3.58Å
179Q93.4Very high94.9Very high93 Ų9322.7 Ų22.744%0.43511%0.114SC..SBendtrans-94.8-15.5178.3-51.1-59.2-53.900112.7S72 E97 A175 I177 H181S72-Q179 PolarHBondContact OG-N 2.91Å; E97-Q179 HydrophobicContact CG-CG 4.32Å; E97-Q179 PolarHBondContact OE2-N 3.33Å; A175-Q179 PolarHBondContact O-NE2 2.99Å; I177-Q179 PolarHBondContact O-N 3.41Å; I177-Q179 PolarHBondContact O-NE2 3.19Å; Q179-H181 VanDerWaalsContact C-N 3.35Å; Q179-H181 PolarHBondContact O-N 3.22Å
180E87.6Confident95.1Very high45 Ų4522.7 Ų22.721%0.2111%0.114CC..SBendtrans-68.1-34-176-17969.6164.900112S72 K76 K79 P93 T178S72-E180 WeakPolarHBondContact OG-CB 3.34Å; S72-E180 PolarHBondContact OG-N 3.5Å; K76-E180 WeakPolarHBondContact CE-OE2 3.08Å; K76-E180 IonicContact NZ-OE2 3.81Å; K79-E180 IonicContact NZ-OE1 3.68Å; K79-E180 PolarHBondContact NZ-OE1 2.89Å; P93-E180 HydrophobicContact CB-CB 4.28Å; P93-E180 HydrophobicContact CB-CG 4.3Å; P93-E180 HydrophobicContact CG-CG 4.24Å; T178-E180 PolarHBondContact OG1-N 2.85Å
181H88.5Confident95.3Very high10 Ų1021.8 Ų21.85%0.04611%0.109CC..  trans-137.9128-171.8-157-84.9000113.6T5 Q179 R183 F184 F383T5-H181 PolarHBondContact O-CE1 3.24Å; T5-H181 VanDerWaalsContact O-CE1 3.26Å; T5-H181 PolarHBondContact O-NE2 2.97Å; T5-H181 VanDerWaalsContact O-NE2 3.12Å; Q179-H181 VanDerWaalsContact C-N 3.35Å; Q179-H181 PolarHBondContact O-N 3.22Å; H181-R183 WeakPolarHBondContact ND1-CB 3.34Å; H181-R183 PolarHBondContact ND1-N 3.26Å; H181-R183 PolarHBondContact O-N 3.4Å; H181-R183 VanDerWaalsContact O-N 3.12Å; H181-F184 HydrophobicContact CB-CD2 4.05Å; H181-F184 HydrophobicContact CB-CE2 3.88Å; H181-F383 AromaticContact CE1-CZ 3.69Å
182P91.4Very high95.4Very high46 Ų4622.2 Ų22.230%0.29911%0.11SC..Hα-helixtrans-68.1-16.4-174.927.7-36.3000114.3P9 F184 T186 F383P9-P182 HydrophobicContact CG-CB 4Å; P182-F184 PolarHBondContact O-N 2.92Å; P182-T186 WeakPolarHBondContact O-CB 3.3Å; P182-T186 PolarHBondContact O-N 3.45Å; P182-T186 VanDerWaalsContact O-N 3.14Å; P182-T186 PolarHBondContact O-OG1 3.49Å; P182-F383 HydrophobicContact CG-CE1 4.23Å
183R91.5Very high95.5Very high23 Ų2325 Ų259%0.08712%0.124CC..Hα-helixtrans-49.9-52176.4-179176.7179.6129.14111.8L3 H181 K185 T186 L187 F383 S404L3-R183 PolarHBondContact O-NH1 3.06Å; H181-R183 WeakPolarHBondContact ND1-CB 3.34Å; H181-R183 PolarHBondContact ND1-N 3.26Å; H181-R183 PolarHBondContact O-N 3.4Å; H181-R183 VanDerWaalsContact O-N 3.12Å; R183-K185 PolarHBondContact O-N 2.85Å; R183-T186 CarbonylContact O-C 3.38Å; R183-T186 WeakPolarHBondContact O-CA 3.34Å; R183-T186 VanDerWaalsContact O-CB 3.31Å; R183-T186 WeakPolarHBondContact O-CB 3.18Å; R183-T186 PolarHBondContact O-N 2.88Å; R183-T186 VanDerWaalsContact O-N 3.12Å; R183-L187 HydrophobicContact CG-CD1 4.02Å; R183-L187 HydrophobicContact CG-CG 4.16Å; R183-L187 VanDerWaalsContact O-CG 3.29Å; R183-L187 WeakPolarHBondContact O-CG 3.49Å; R183-L187 PolarHBondContact O-N 2.88Å; R183-F383 HydrophobicContact CB-CZ 4.24Å; R183-S404 PolarHBondContact NH2-OG 3.02Å
184F94.6Very high95.5Very high3 Ų325.6 Ų25.61%0.01313%0.126CC..Hα-helixtrans-70.5-39.2-167.5-56.9-82.3000113.9M1 L4 Y95 I177 T178 H181 P182 T186 L187 T188M1-F184 HydrophobicContact CE-CE1 3.68Å; M1-F184 HydrophobicContact CE-CZ 3.46Å; M1-F184 VanDerWaalsContact CE-CZ 3.46Å; M1-F184 HydrophobicContact SD-CE1 3.74Å; M1-F184 HydrophobicContact SD-CZ 4.05Å; L4-F184 HydrophobicContact CD2-CE2 4.36Å; L4-F184 HydrophobicContact CD2-CZ 4.29Å; Y95-F184 HydrophobicContact CD2-CB 4.02Å; Y95-F184 HydrophobicContact CD2-CD1 4.06Å; Y95-F184 HydrophobicContact CD2-CG 4.48Å; Y95-F184 HydrophobicContact CE2-CB 4.42Å; I177-F184 HydrophobicContact CG2-CB 3.86Å; T178-F184 HydrophobicContact CG2-CB 3.86Å; T178-F184 HydrophobicContact CG2-CD2 3.03Å; T178-F184 HydrophobicContact CG2-CE2 3.57Å; T178-F184 HydrophobicContact CG2-CG 3.58Å; H181-F184 HydrophobicContact CB-CD2 4.05Å; H181-F184 HydrophobicContact CB-CE2 3.88Å; P182-F184 PolarHBondContact O-N 2.92Å; F184-T186 VanDerWaalsContact C-N 3.31Å; F184-L187 HydrophobicContact CD1-CD1 4.3Å; F184-L187 PolarHBondContact O-N 3.43Å; F184-T188 PolarHBondContact O-N 2.93Å; F184-T188 PolarHBondContact O-OG1 2.57Å
185K95.5Very high95.5Very high68 Ų6825.1 Ų25.130%0.29612%0.122SC..Hα-helixtrans-64.6-38.5170.8-70.2-173.9-176.3175.50111.4I177 R183 T188 R189I177-K185 HydrophobicContact CB-CG 4.12Å; I177-K185 HydrophobicContact CD1-CG 4.35Å; I177-K185 HydrophobicContact CG2-CG 3.7Å; R183-K185 PolarHBondContact O-N 2.85Å; K185-T188 PolarHBondContact O-N 3.05Å; K185-R189 WeakPolarHBondContact O-CB 3.37Å; K185-R189 PolarHBondContact O-N 3.12Å
186T95.5Very high95.4Very high3 Ų326.3 Ų26.32%0.01814%0.138CC..Hα-helixtrans-62.9-46.7174.7-61.80000111.8P9 P182 R183 F184 T188 R189 N190P9-T186 HydrophobicContact CB-CG2 3.8Å; P9-T186 WeakPolarHBondContact CB-OG1 2.98Å; P9-T186 VanDerWaalsContact CG-OG1 3.27Å; P9-T186 WeakPolarHBondContact CG-OG1 3.46Å; P182-T186 WeakPolarHBondContact O-CB 3.3Å; P182-T186 PolarHBondContact O-N 3.45Å; P182-T186 VanDerWaalsContact O-N 3.14Å; P182-T186 PolarHBondContact O-OG1 3.49Å; R183-T186 CarbonylContact O-C 3.38Å; R183-T186 WeakPolarHBondContact O-CA 3.34Å; R183-T186 VanDerWaalsContact O-CB 3.31Å; R183-T186 WeakPolarHBondContact O-CB 3.18Å; R183-T186 PolarHBondContact O-N 2.88Å; R183-T186 VanDerWaalsContact O-N 3.12Å; F184-T186 VanDerWaalsContact C-N 3.31Å; T186-T188 VanDerWaalsContact C-N 3.33Å; T186-T188 PolarHBondContact O-N 3.09Å; T186-R189 PolarHBondContact O-N 3.41Å; T186-N190 WeakPolarHBondContact CG2-ND2 3.3Å; T186-N190 VanDerWaalsContact O-CB 3.26Å; T186-N190 WeakPolarHBondContact O-CB 3.4Å; T186-N190 VanDerWaalsContact O-CG 3.32Å; T186-N190 PolarHBondContact O-N 3.04Å
187L96.9Very high95.2Very high5 Ų528.9 Ų28.93%0.02615%0.154CC..Hα-helixtrans-54.5-50.7175-65.8174.1000110.5R183 F184 R189 N190 I191 M241 I380R183-L187 HydrophobicContact CG-CD1 4.02Å; R183-L187 HydrophobicContact CG-CG 4.16Å; R183-L187 VanDerWaalsContact O-CG 3.29Å; R183-L187 WeakPolarHBondContact O-CG 3.49Å; R183-L187 PolarHBondContact O-N 2.88Å; F184-L187 HydrophobicContact CD1-CD1 4.3Å; F184-L187 PolarHBondContact O-N 3.43Å; L187-R189 PolarHBondContact O-N 3.12Å; L187-N190 PolarHBondContact O-N 3.26Å; L187-I191 VanDerWaalsContact O-CB 3.29Å; L187-I191 WeakPolarHBondContact O-CB 3.16Å; L187-I191 VanDerWaalsContact O-CG1 3.23Å; L187-I191 WeakPolarHBondContact O-CG1 3.38Å; L187-I191 PolarHBondContact O-N 3.31Å; L187-M241 HydrophobicContact CB-CE 3.87Å; L187-M241 HydrophobicContact CB-SD 3.99Å; L187-M241 HydrophobicContact CD1-CE 3.98Å; L187-I380 HydrophobicContact CD2-CD1 2.97Å; L187-I380 HydrophobicContact CD2-CG1 4.43Å; L187-I380 HydrophobicContact CG-CD1 4.36Å
188T97.9Very high95.1Very high7 Ų729.9 Ų29.94%0.04316%0.158CC..Hα-helixtrans-58.1-49.4-179.2-55.90000111.6Y95 A166 I177 F184 K185 T186 R192 M241Y95-T188 VanDerWaalsContact CE2-OG1 3.27Å; Y95-T188 WeakPolarHBondContact CE2-OG1 3.3Å; Y95-T188 PolarHBondContact OH-OG1 3.42Å; A166-T188 HydrophobicContact CB-CG2 4.26Å; I177-T188 HydrophobicContact CD1-CG2 4.11Å; F184-T188 PolarHBondContact O-N 2.93Å; F184-T188 PolarHBondContact O-OG1 2.57Å; K185-T188 PolarHBondContact O-N 3.05Å; T186-T188 VanDerWaalsContact C-N 3.33Å; T186-T188 PolarHBondContact O-N 3.09Å; T188-R192 PolarHBondContact O-N 3.27Å; T188-M241 HydrophobicContact CG2-CB 4.29Å
189R97.4Very high95.1Very high66 Ų6630.2 Ų30.225%0.24916%0.16CC..Hα-helixtrans-63.9-51.8179.2178.3-171.861.9-138.6-2.1111.5L10 A166 K185 T186 L187 I191 R192 E193L10-R189 PolarHBondContact O-NH2 3.26Å; A166-R189 HydrophobicContact CB-CB 4.21Å; K185-R189 WeakPolarHBondContact O-CB 3.37Å; K185-R189 PolarHBondContact O-N 3.12Å; T186-R189 PolarHBondContact O-N 3.41Å; L187-R189 PolarHBondContact O-N 3.12Å; R189-I191 PolarHBondContact O-N 2.84Å; R189-R192 PolarHBondContact O-N 3.43Å; R189-E193 HydrophobicContact CG-CG 4.37Å; R189-E193 WeakPolarHBondContact CG-OE1 3.41Å; R189-E193 WeakPolarHBondContact O-CB 3.43Å; R189-E193 WeakPolarHBondContact O-CG 3.27Å; R189-E193 PolarHBondContact O-N 3.07Å
190N97.9Very high95.2Very high0 Ų027.1 Ų27.10%015%0.151CC..Hα-helixtrans-69.4-35.7-171.3-71.45.5000111.5L10 W12 T186 L187 E193 R194 I380L10-N190 PolarHBondContact O-ND2 2.7Å; W12-N190 HydrophobicContact CB-CB 4.34Å; W12-N190 PolarHBondContact N-OD1 3.36Å; T186-N190 WeakPolarHBondContact CG2-ND2 3.3Å; T186-N190 VanDerWaalsContact O-CB 3.26Å; T186-N190 WeakPolarHBondContact O-CB 3.4Å; T186-N190 VanDerWaalsContact O-CG 3.32Å; T186-N190 PolarHBondContact O-N 3.04Å; L187-N190 PolarHBondContact O-N 3.26Å; N190-E193 PolarHBondContact O-N 3.34Å; N190-R194 WeakPolarHBondContact O-CB 3.18Å; N190-R194 PolarHBondContact O-N 2.63Å; N190-I380 VanDerWaalsContact CB-O 3.31Å; N190-I380 WeakPolarHBondContact CB-O 3.31Å; N190-I380 PolarHBondContact ND2-O 3.39Å
191I98.3Very high95.7Very high2 Ų225.1 Ų25.11%0.0114%0.141CC..Hα-helixtrans-61-48.4172.6-73.2170.5000110.7L187 R189 E193 R194 R195 V199 M241 V304 D306L187-I191 VanDerWaalsContact O-CB 3.29Å; L187-I191 WeakPolarHBondContact O-CB 3.16Å; L187-I191 VanDerWaalsContact O-CG1 3.23Å; L187-I191 WeakPolarHBondContact O-CG1 3.38Å; L187-I191 PolarHBondContact O-N 3.31Å; R189-I191 PolarHBondContact O-N 2.84Å; I191-E193 PolarHBondContact O-N 3.17Å; I191-R194 PolarHBondContact O-N 3.34Å; I191-R195 WeakPolarHBondContact O-CB 3.33Å; I191-R195 PolarHBondContact O-N 2.95Å; I191-V199 HydrophobicContact CG2-CG1 4.02Å; I191-M241 HydrophobicContact CD1-SD 4.08Å; I191-V304 HydrophobicContact CD1-CB 3.95Å; I191-V304 HydrophobicContact CD1-CG1 4.08Å; I191-D306 HydrophobicContact CB-CB 4.33Å; I191-D306 HydrophobicContact CG1-CB 4.19Å; I191-D306 HydrophobicContact CG2-CB 3.94Å
192R97.7Very high96.2Very high26 Ų2626.3 Ų26.310%0.09815%0.148CC..Hα-helixtrans-61-44.5177.6178.8-179.155.8616.2111.9A166 S167 T188 R189 G196 T197 K198A166-R192 PolarHBondContact O-NE 3.12Å; A166-R192 PolarHBondContact O-NH2 3Å; A166-R192 VanDerWaalsContact O-NH2 3.08Å; S167-R192 WeakPolarHBondContact O-CD 3.47Å; T188-R192 PolarHBondContact O-N 3.27Å; R189-R192 PolarHBondContact O-N 3.43Å; R192-G196 PolarHBondContact O-N 3.41Å; R192-G196 VanDerWaalsContact O-N 3.08Å; R192-T197 PolarHBondContact O-N 3.49Å; R192-K198 HydrophobicContact CG-CG 4.45Å
193E97.4Very high96.5Very high60 Ų6024.1 Ų24.128%0.2813%0.134SC..Hα-helixtrans-70.6-38.1-178.9-72.9175.7-169.200112.5W12 R189 N190 I191 G196W12-E193 HydrophobicContact CB-CB 3.75Å; W12-E193 WeakPolarHBondContact CB-OE2 3.26Å; W12-E193 HydrophobicContact CG-CB 3.94Å; R189-E193 HydrophobicContact CG-CG 4.37Å; R189-E193 WeakPolarHBondContact CG-OE1 3.41Å; R189-E193 WeakPolarHBondContact O-CB 3.43Å; R189-E193 WeakPolarHBondContact O-CG 3.27Å; R189-E193 PolarHBondContact O-N 3.07Å; N190-E193 PolarHBondContact O-N 3.34Å; I191-E193 PolarHBondContact O-N 3.17Å; E193-G196 PolarHBondContact O-N 3.23Å
194R97.7Very high96.8Very high13 Ų1324.4 Ų24.45%0.04914%0.138CC..Hα-helixtrans-62.4-50.3172.2178.8176-171.3-73-0.9111.6W12 N190 I191 G196 D306 E311 D378W12-R194 HydrophobicContact CD2-CB 3.97Å; W12-R194 HydrophobicContact CE3-CB 4.26Å; W12-R194 HydrophobicContact CH2-CB 4.01Å; W12-R194 HydrophobicContact CH2-CG 3.69Å; W12-R194 HydrophobicContact CZ2-CB 3.68Å; W12-R194 HydrophobicContact CZ2-CG 3.5Å; W12-R194 VanDerWaalsContact CZ2-CG 3.5Å; W12-R194 HydrophobicContact CZ3-CB 4.28Å; W12-R194 HydrophobicContact CZ3-CG 4.35Å; N190-R194 WeakPolarHBondContact O-CB 3.18Å; N190-R194 PolarHBondContact O-N 2.63Å; I191-R194 PolarHBondContact O-N 3.34Å; R194-G196 PolarHBondContact O-N 2.69Å; R194-D306 WeakPolarHBondContact CD-OD2 3.38Å; R194-D306 IonicContact CZ-OD2 3.56Å; R194-D306 IonicContact NE-OD2 2.72Å; R194-D306 PolarHBondContact NH1-O 3.5Å; R194-D306 IonicContact NH1-OD1 3.83Å; R194-D306 IonicContact NH1-OD2 3.25Å; R194-E311 IonicContact CZ-OE1 2.81Å; R194-E311 IonicContact CZ-OE2 2.76Å; R194-E311 IonicContact NH1-OE1 2.84Å; R194-E311 IonicContact NH1-OE2 2.86Å; R194-E311 PolarHBondContact NH1-OE2 2.76Å; R194-E311 IonicContact NH2-OE1 2.81Å; R194-E311 PolarHBondContact NH2-OE1 3.36Å; R194-E311 IonicContact NH2-OE2 3.6Å; R194-E311 PolarHBondContact NH2-OE2 3.09Å; R194-D378 IonicContact CZ-OD2 2.72Å; R194-D378 VanDerWaalsContact CZ-OD2 3.25Å; R194-D378 IonicContact NE-OD2 3.62Å; R194-D378 PolarHBondContact NE-OD2 3.44Å; R194-D378 IonicContact NH2-OD2 3.74Å; R194-D378 PolarHBondContact NH2-OD2 2.9Å
195R97.1Very high97Very high17 Ų1724.3 Ų24.36%0.06414%0.138CC..Hα-helixtrans-60.8-25.4178.6-170.3-178-179.581.8-3.6112.3I191 T197 K198 D305 R307 R312I191-R195 WeakPolarHBondContact O-CB 3.33Å; I191-R195 PolarHBondContact O-N 2.95Å; R195-T197 PolarHBondContact O-N 3.38Å; R195-K198 PolarHBondContact NE-O 2.79Å; R195-D305 WeakPolarHBondContact CD-O 3.3Å; R195-D305 IonicContact CZ-OD2 3.94Å; R195-D305 PolarHBondContact NH1-O 2.91Å; R195-D305 IonicContact NH1-OD1 2.7Å; R195-D305 IonicContact NH1-OD2 3.38Å; R195-D305 PolarHBondContact NH1-OD2 3.41Å; R195-D305 IonicContact NH2-OD2 3.43Å; R195-R307 WeakPolarHBondContact CG-O 3.3Å; R195-R307 PolarHBondContact NH1-O 2.92Å; R195-R312 VanDerWaalsContact NH2-NH1 3.17Å
196G94.8Very high97.1Very high64 Ų6422.8 Ų22.866%0.6613%0.131SC*.SBendtrans76.9-3.7-174.400000114.1R192 E193 R194R192-G196 PolarHBondContact O-N 3.41Å; R192-G196 VanDerWaalsContact O-N 3.08Å; E193-G196 PolarHBondContact O-N 3.23Å; R194-G196 PolarHBondContact O-N 2.69Å
197T94.2Very high97.2Very high55 Ų5529.4 Ų29.434%0.33716%0.155SC..SBendtrans-146.4167.7179.853.10000109.2R192 R195R192-T197 PolarHBondContact O-N 3.49Å; R195-T197 PolarHBondContact O-N 3.38Å
198K94.8Very high97.2Very high20 Ų2029.9 Ų29.99%0.08716%0.158CC..  trans-60.5154.4167.3-68.1-171.9-71.7-175.30110.3R168 R192 R195 D224 S227 D239R168-K198 VanDerWaalsContact O-CD 3.29Å; R168-K198 WeakPolarHBondContact O-CD 3.26Å; R168-K198 PolarHBondContact O-NZ 3.16Å; R192-K198 HydrophobicContact CG-CG 4.45Å; R195-K198 PolarHBondContact NE-O 2.79Å; K198-D224 WeakPolarHBondContact CE-OD2 3.44Å; K198-D224 IonicContact NZ-OD2 3.99Å; K198-D224 PolarHBondContact NZ-OD2 3.29Å; K198-S227 WeakPolarHBondContact CE-OG 3.43Å; K198-S227 PolarHBondContact NZ-OG 2.78Å; K198-D239 HydrophobicContact CD-CB 4.41Å; K198-D239 IonicContact NZ-OD2 3.76Å; K198-D239 PolarHBondContact NZ-OD2 3.36Å
199V96.9Very high97.2Very high8 Ų836.4 Ų36.45%0.04819%0.191CC..  trans-61.4145.5163-65.60000108.3I191 D239I191-V199 HydrophobicContact CG2-CG1 4.02Å; V199-D239 WeakPolarHBondContact O-CA 3.43Å
200A96.5Very high97.2Very high29 Ų2937 Ų3724%0.2420%0.204CC..  trans-127.4111.8-178.800000108A230 Y237A200-A230 HydrophobicContact CB-CB 3.9Å; A200-Y237 HydrophobicContact CB-CE2 4.11Å
201I98.2Very high97.2Very high3 Ų337.3 Ų37.32%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-116.5111.1-175.1-44.9168.1000106.7V203 L238 F243 I299 A302I201-V203 HydrophobicContact CG2-CG2 3.95Å; I201-L238 HydrophobicContact CB-CB 3.96Å; I201-L238 HydrophobicContact CB-CD1 4.35Å; I201-L238 HydrophobicContact CB-CG 4.37Å; I201-L238 WeakPolarHBondContact CB-O 3.22Å; I201-L238 HydrophobicContact CD1-CB 4.12Å; I201-L238 HydrophobicContact CG1-CB 4.48Å; I201-L238 HydrophobicContact CG2-CD1 4.05Å; I201-L238 PolarHBondContact N-O 3.36Å; I201-L238 PolarHBondContact O-N 2.69Å; I201-F243 HydrophobicContact CD1-CB 4.12Å; I201-I299 HydrophobicContact CG2-CG2 4.2Å; I201-A302 HydrophobicContact CB-CB 4.12Å; I201-A302 HydrophobicContact CG1-CB 3.76Å; I201-A302 HydrophobicContact CG2-CB 3.87Å
202N97.8Very high97Very high35 Ų3540.6 Ų40.619%0.18723%0.228CC..EExtended strand (participates in β ladder)trans-109.6105.1178.9-75.9-74.7000108.4A230 L232 H235N202-A230 PolarHBondContact ND2-O 2.66Å; N202-L232 HydrophobicContact CB-CB 4.4Å; N202-L232 HydrophobicContact CB-CD1 3.94Å; N202-L232 HydrophobicContact CB-CG 4.23Å; N202-L232 PolarHBondContact OD1-N 3.19Å; N202-H235 HydrophobicContact CB-CB 3.85Å; N202-H235 PolarHBondContact O-CD2 2.92Å
203V98Very high96.7Very high0 Ų046 Ų460%025%0.254CS..EExtended strand (participates in β ladder)trans-101126.7-178-169.30000109.5I201 I205 H235 I236 L238 L291 W293 I299I201-V203 HydrophobicContact CG2-CG2 3.95Å; V203-I205 PolarHBondContact O-N 3.44Å; V203-H235 CarbonylContact O-C 3.48Å; V203-H235 WeakPolarHBondContact O-CA 3.29Å; V203-I236 PolarHBondContact N-O 2.8Å; V203-I236 PolarHBondContact O-N 2.97Å; V203-L238 HydrophobicContact CG2-CD1 3.9Å; V203-L238 HydrophobicContact CG2-CG 4.5Å; V203-L291 HydrophobicContact CB-CD2 4.15Å; V203-L291 HydrophobicContact CG1-CB 4.25Å; V203-L291 HydrophobicContact CG1-CD1 4.04Å; V203-L291 HydrophobicContact CG1-CD2 3.58Å; V203-L291 HydrophobicContact CG1-CG 4.14Å; V203-W293 HydrophobicContact CG1-CD2 4.13Å; V203-W293 HydrophobicContact CG1-CE3 3.72Å; V203-W293 HydrophobicContact CG1-CZ3 4.19Å; V203-I299 HydrophobicContact CG2-CD1 4.15Å; V203-I299 HydrophobicContact CG2-CG1 3.8Å
204P98.1Very high96.6Very high28 Ų2846.7 Ų46.718%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-57.6127.3-178.8-25.335.1000111.6D292 W293P204-D292 HydrophobicContact CB-CB 4.09Å; P204-D292 PolarHBondContact O-N 2.61Å; P204-W293 HydrophobicContact CG-CZ2 4.25Å
205I98.3Very high96.4Very high2 Ų246.6 Ų46.61%0.0126%0.264CS..BIsolated β-bridgetrans-74.4140.6175.6-166.3169.7000110.1V203 R207 T211 F215 N234 I236 Y289V203-I205 PolarHBondContact O-N 3.44Å; I205-R207 PolarHBondContact O-N 3.18Å; I205-T211 HydrophobicContact CD1-CG2 3.95Å; I205-T211 HydrophobicContact CG1-CG2 4.39Å; I205-T211 HydrophobicContact CG2-CG2 4.41Å; I205-F215 HydrophobicContact CB-CD1 4.43Å; I205-F215 HydrophobicContact CD1-CB 4.24Å; I205-F215 HydrophobicContact CD1-CD1 3.83Å; I205-F215 HydrophobicContact CD1-CD2 3.39Å; I205-F215 HydrophobicContact CD1-CE1 3.96Å; I205-F215 HydrophobicContact CD1-CE2 3.54Å; I205-F215 HydrophobicContact CD1-CG 3.54Å; I205-F215 HydrophobicContact CD1-CZ 3.82Å; I205-F215 HydrophobicContact CG2-CB 3.9Å; I205-F215 HydrophobicContact CG2-CD1 4.23Å; I205-F215 HydrophobicContact CG2-CG 4.13Å; I205-N234 WeakPolarHBondContact CG2-O 3.31Å; I205-N234 PolarHBondContact N-O 2.93Å; I205-N234 VanDerWaalsContact N-O 3.11Å; I205-I236 HydrophobicContact CB-CD1 4.01Å; I205-I236 HydrophobicContact CB-CG1 4.12Å; I205-I236 HydrophobicContact CD1-CG1 4.33Å; I205-I236 HydrophobicContact CG1-CD1 3.97Å; I205-I236 HydrophobicContact CG1-CG1 4.17Å; I205-Y289 HydrophobicContact CD1-CD1 4.11Å; I205-Y289 HydrophobicContact CD1-CG 4.46Å
206Y98.3Very high96.2Very high36 Ų3650.3 Ų50.314%0.14128%0.284CS..PPolyproline II helixtrans-61.1130167.9179.1-117000109.4D208 T211 L290 M621 S630Y206-D208 HydrophobicContact CD1-CB 3.93Å; Y206-D208 HydrophobicContact CE1-CB 3.58Å; Y206-D208 PolarHBondContact O-N 3.44Å; Y206-T211 PolarHBondContact O-OG1 3.18Å; Y206-L290 WeakPolarHBondContact CB-O 3.12Å; Y206-L290 HydrophobicContact CD1-CB 4.09Å; Y206-L290 HydrophobicContact CD1-CD1 3.89Å; Y206-L290 HydrophobicContact CE1-CD1 4.37Å; Y206-L290 HydrophobicContact CG-CB 4.19Å; Y206-L290 PolarHBondContact N-O 3.36Å; Y206-M621 HydrophobicContact CE1-CE 3.98Å; Y206-M621 HydrophobicContact CE1-SD 4.18Å; Y206-M621 VanDerWaalsContact OH-CE 3.27Å; Y206-M621 WeakPolarHBondContact OH-CE 3.49Å; Y206-S630 WeakPolarHBondContact CD1-OG 3.42Å; Y206-S630 WeakPolarHBondContact O-CB 3.11Å; Y206-S630 PolarHBondContact O-OG 3.23Å
207R96.9Very high95.8Very high142 Ų14248.1 Ų48.154%0.53626%0.256SS..  trans-97.392.9179.1-61.5-178.1-171.7173.23.7109.4I205I205-R207 PolarHBondContact O-N 3.18Å
208D96.8Very high95.2Very high14 Ų1451.7 Ų51.78%0.07527%0.274CS..  trans-91.7178170.5-156.4-12.8000110.3Y206 C210 T211 Y626 N628Y206-D208 HydrophobicContact CD1-CB 3.93Å; Y206-D208 HydrophobicContact CE1-CB 3.58Å; Y206-D208 PolarHBondContact O-N 3.44Å; D208-C210 VanDerWaalsContact C-N 3.3Å; D208-C210 PolarHBondContact O-N 2.88Å; D208-T211 PolarHBondContact N-OG1 3.36Å; D208-T211 PolarHBondContact O-N 3.24Å; D208-Y626 VanDerWaalsContact OD2-CE1 3.24Å; D208-Y626 WeakPolarHBondContact OD2-CE1 3.46Å; D208-Y626 PolarHBondContact OD2-OH 2.98Å; D208-N628 VanDerWaalsContact CB-O 3.26Å; D208-N628 WeakPolarHBondContact CB-O 3.41Å; D208-N628 VanDerWaalsContact OD2-CA 3.3Å; D208-N628 WeakPolarHBondContact OD2-CA 3.42Å; D208-N628 PolarHBondContact OD2-ND2 3.38Å
209I97.4Very high94.6Very high145 Ų14551.5 Ų51.574%0.74427%0.273SS*.THydrogen-bonded Turntrans-56.7-41.7-171.5-62.8166.7000112.1N628I209-N628 HydrophobicContact CB-CB 4.24Å; I209-N628 PolarHBondContact N-O 2.95Å
210C97.7Very high93.2Very high77 Ų7756.5 Ų56.552%0.5231%0.305SS..THydrogen-bonded Turntrans-1045.8-177.9-57.60000112.8D208 P212 N628 D629D208-C210 VanDerWaalsContact C-N 3.3Å; D208-C210 PolarHBondContact O-N 2.88Å; C210-P212 WeakPolarHBondContact O-CD 3.44Å; C210-N628 CarbonylContact C-O 3.52Å; C210-N628 VanDerWaalsContact CA-O 3.27Å; C210-N628 WeakPolarHBondContact CA-O 3.01Å; C210-N628 HydrophobicContact CB-CB 4.48Å; C210-N628 VanDerWaalsContact CB-O 3.24Å; C210-N628 WeakPolarHBondContact CB-O 3.44Å; C210-N628 PolarHBondContact N-O 3.25Å; C210-D629 HydrophobicContact CB-CB 4.15Å
211T97.4Very high91.6Very high7 Ų759.3 Ų59.34%0.04332%0.316CS..SBendtrans-67.3126.7173.3-53.90000108.9I205 Y206 D208 Q213 N628 S630I205-T211 HydrophobicContact CD1-CG2 3.95Å; I205-T211 HydrophobicContact CG1-CG2 4.39Å; I205-T211 HydrophobicContact CG2-CG2 4.41Å; Y206-T211 PolarHBondContact O-OG1 3.18Å; D208-T211 PolarHBondContact N-OG1 3.36Å; D208-T211 PolarHBondContact O-N 3.24Å; T211-Q213 PolarHBondContact O-N 3.44Å; T211-N628 PolarHBondContact N-O 3.05Å; T211-S630 PolarHBondContact OG1-OG 2.87Å
212P94.8Very high89.7Confident72 Ų7266.2 Ų66.247%0.46835%0.349SS..  trans-54.8142.3178.5-25.433.6000112.2C210 P214 F215C210-P212 WeakPolarHBondContact O-CD 3.44Å; P212-P214 CarbonylContact C-O 3.5Å; P212-P214 CarbonylContact O-C 3.26Å; P212-P214 VanDerWaalsContact O-C 3.26Å; P212-F215 WeakPolarHBondContact O-CA 3.24Å; P212-F215 PolarHBondContact O-N 3.4Å
213Q91.3Very high87.9Confident139 Ų13971.8 Ų71.865%0.6538%0.378SS*.SBendtrans-129.4108.3177.3-63.3-162.726.500110.9T211T211-Q213 PolarHBondContact O-N 3.44Å
214P94.7Very high86.8Confident74 Ų7473.2 Ų73.248%0.48139%0.386SS..SBendcis-69.2148.3-330.2-34.1000112.2P212 I216 P233 N234P212-P214 CarbonylContact C-O 3.5Å; P212-P214 CarbonylContact O-C 3.26Å; P212-P214 VanDerWaalsContact O-C 3.26Å; P214-I216 HydrophobicContact CB-CD1 4.04Å; P214-I216 HydrophobicContact CB-CG1 4.32Å; P214-I216 HydrophobicContact CG-CD1 4Å; P214-I216 HydrophobicContact CG-CG1 4Å; P214-I216 PolarHBondContact O-N 2.9Å; P214-P233 HydrophobicContact CB-CB 4.12Å; P214-N234 VanDerWaalsContact CA-OD1 3.31Å; P214-N234 WeakPolarHBondContact CA-OD1 3.33Å
215F95.2Very high85.8Confident12 Ų1276.3 Ų76.35%0.05341%0.406CS..  trans-72118.5163.4170.5-94.3000107.7I205 P212 E217 N234 H235 I236 Y289I205-F215 HydrophobicContact CB-CD1 4.43Å; I205-F215 HydrophobicContact CD1-CB 4.24Å; I205-F215 HydrophobicContact CD1-CD1 3.83Å; I205-F215 HydrophobicContact CD1-CD2 3.39Å; I205-F215 HydrophobicContact CD1-CE1 3.96Å; I205-F215 HydrophobicContact CD1-CE2 3.54Å; I205-F215 HydrophobicContact CD1-CG 3.54Å; I205-F215 HydrophobicContact CD1-CZ 3.82Å; I205-F215 HydrophobicContact CG2-CB 3.9Å; I205-F215 HydrophobicContact CG2-CD1 4.23Å; I205-F215 HydrophobicContact CG2-CG 4.13Å; P212-F215 WeakPolarHBondContact O-CA 3.24Å; P212-F215 PolarHBondContact O-N 3.4Å; F215-E217 HydrophobicContact CE1-CB 3.98Å; F215-E217 HydrophobicContact CE1-CG 4.46Å; F215-E217 HydrophobicContact CZ-CB 4.16Å; F215-E217 HydrophobicContact CZ-CG 4.27Å; F215-N234 PolarHBondContact N-OD1 3.34Å; F215-N234 PolarHBondContact O-N 2.81Å; F215-H235 WeakPolarHBondContact CD1-O 3.49Å; F215-H235 VanDerWaalsContact CE1-O 3.31Å; F215-H235 WeakPolarHBondContact CE1-O 3.34Å; F215-I236 HydrophobicContact CE1-CG1 4.35Å; F215-Y289 HydrophobicContact CE2-CD1 4.47Å; F215-Y289 AromaticContact CE2-CE1 3.89Å; F215-Y289 HydrophobicContact CE2-CE1 3.89Å; F215-Y289 HydrophobicContact CZ-CE1 4.11Å; F215-Y289 HydrophobicContact CZ-CE2 4.14Å; F215-Y289 AromaticContact CZ-CZ 3.87Å
216I92.2Very high85Confident94 Ų9479.4 Ų79.448%0.48243%0.425SS..  trans-120.8117.7175.4-55.6-63.2000106.7P214 P233P214-I216 HydrophobicContact CB-CD1 4.04Å; P214-I216 HydrophobicContact CB-CG1 4.32Å; P214-I216 HydrophobicContact CG-CD1 4Å; P214-I216 HydrophobicContact CG-CG1 4Å; P214-I216 PolarHBondContact O-N 2.9Å; I216-P233 HydrophobicContact CD1-CB 3.77Å; I216-P233 HydrophobicContact CD1-CG 3.96Å
217E85.3Confident84.2Confident18 Ų1877.7 Ų77.78%0.08442%0.418CS..  trans-75129.5-179.2-161.8174155.100110.4F215 F219 Y237 R287F215-E217 HydrophobicContact CE1-CB 3.98Å; F215-E217 HydrophobicContact CE1-CG 4.46Å; F215-E217 HydrophobicContact CZ-CB 4.16Å; F215-E217 HydrophobicContact CZ-CG 4.27Å; E217-F219 HydrophobicContact CB-CE1 4.07Å; E217-F219 HydrophobicContact CB-CZ 4.2Å; E217-F219 HydrophobicContact CG-CD1 4.33Å; E217-F219 HydrophobicContact CG-CE1 3.82Å; E217-F219 HydrophobicContact CG-CZ 4.44Å; E217-Y237 PolarHBondContact OE2-N 2.99Å; E217-R287 IonicContact OE1-CZ 3.9Å; E217-R287 IonicContact OE1-NE 3.67Å; E217-R287 PolarHBondContact OE1-NE 2.89Å; E217-R287 IonicContact OE1-NH2 3.02Å; E217-R287 PolarHBondContact OE1-NH2 3.19Å
218N82.2Confident83.4Confident131 Ų13174.2 Ų74.270%0.70141%0.413SS*.  trans-93.5114.2174-72.8-46.9000109.5
219F82.5Confident82.9Confident16 Ų1678.2 Ų78.27%0.0744%0.442CS..  trans-82.3139.5176.1-54-55000111.1L170 F171 E217 N221 A231 Y237L170-F219 HydrophobicContact CD1-CD1 4.33Å; L170-F219 HydrophobicContact CD1-CG 4.33Å; F171-F219 HydrophobicContact CE1-CD1 4.24Å; F171-F219 AromaticContact CZ-CD1 3.7Å; F171-F219 HydrophobicContact CZ-CD1 3.7Å; F171-F219 AromaticContact CZ-CE1 3.77Å; F171-F219 HydrophobicContact CZ-CE1 3.77Å; E217-F219 HydrophobicContact CB-CE1 4.07Å; E217-F219 HydrophobicContact CB-CZ 4.2Å; E217-F219 HydrophobicContact CG-CD1 4.33Å; E217-F219 HydrophobicContact CG-CE1 3.82Å; E217-F219 HydrophobicContact CG-CZ 4.44Å; F219-N221 PolarHBondContact O-N 3.13Å; F219-A231 HydrophobicContact CE2-CB 3.95Å; F219-A231 HydrophobicContact CZ-CB 3.68Å; F219-Y237 AromaticContact CE1-CD1 3.82Å; F219-Y237 HydrophobicContact CE1-CD1 3.82Å; F219-Y237 HydrophobicContact CE1-CG 4.42Å; F219-Y237 AromaticContact CZ-CD1 3.73Å; F219-Y237 HydrophobicContact CZ-CD1 3.73Å; F219-Y237 HydrophobicContact CZ-CG 4.1Å
220P66.8Low82.6Confident112 Ų11272.6 Ų72.673%0.72742%0.417SS*.SBendtrans-56.8-35.7177.8-22.531.3000112.5
221N62.6Low82.5Confident89 Ų8970.2 Ų70.248%0.47640%0.403SS..  trans-112.183176.8-72.3-17.3000109.4F219 N223 D224F219-N221 PolarHBondContact O-N 3.13Å; N221-N223 PolarHBondContact O-N 3.2Å; N221-D224 PolarHBondContact O-N 3.12Å
222Q59.1Low82.4Confident148 Ų14874.1 Ų74.169%0.69242%0.423SS*.THydrogen-bonded Turntrans-54.2-4.3171.5-65.9-173.9-3.700113.9
223N60.8Low82.4Confident151 Ų15174 Ų7481%0.80742%0.423SS*.THydrogen-bonded Turntrans-88-3.3-180-65-15.7000115.2N221 P225N221-N223 PolarHBondContact O-N 3.2Å; N223-P225 WeakPolarHBondContact O-CD 3.32Å
224D75.2Confident82.7Confident30 Ų3069.1 Ų69.116%0.1640%0.401CS..  trans-87.994.8168.7-179.111.5000109.9L170 K198 N221 T226 S227 T228L170-D224 HydrophobicContact CD2-CB 4.01Å; K198-D224 WeakPolarHBondContact CE-OD2 3.44Å; K198-D224 IonicContact NZ-OD2 3.99Å; K198-D224 PolarHBondContact NZ-OD2 3.29Å; N221-D224 PolarHBondContact O-N 3.12Å; D224-T226 PolarHBondContact O-N 2.9Å; D224-T226 WeakPolarHBondContact OD1-CB 3.27Å; D224-T226 PolarHBondContact OD1-N 2.84Å; D224-T226 VanDerWaalsContact OD1-N 3.07Å; D224-T226 PolarHBondContact OD1-OG1 3.11Å; D224-T226 PolarHBondContact OD2-OG1 3.25Å; D224-S227 PolarHBondContact O-N 3.15Å; D224-S227 VanDerWaalsContact OD2-CB 3.3Å; D224-S227 WeakPolarHBondContact OD2-CB 3.27Å; D224-S227 PolarHBondContact OD2-OG 2.94Å; D224-T228 PolarHBondContact O-N 3.02Å; D224-T228 VanDerWaalsContact O-N 3.12Å; D224-T228 PolarHBondContact O-OG1 2.71Å
225P76.2Confident82.9Confident93 Ų9368 Ų6860%0.60439%0.389SS*.Hα-helixtrans-64.9-26.1-178.427.9-36.8000111.9N223 S229N223-P225 WeakPolarHBondContact O-CD 3.32Å; P225-S229 VanDerWaalsContact O-CB 3.28Å; P225-S229 WeakPolarHBondContact O-CB 3.09Å; P225-S229 PolarHBondContact O-N 3.21Å; P225-S229 PolarHBondContact O-OG 2.94Å
226T80.6Confident83Confident68 Ų6867.4 Ų67.442%0.41739%0.387SS..Hα-helixtrans-68.4-44.4-178.767.30000111.1D224 S229 A230D224-T226 PolarHBondContact O-N 2.9Å; D224-T226 WeakPolarHBondContact OD1-CB 3.27Å; D224-T226 PolarHBondContact OD1-N 2.84Å; D224-T226 VanDerWaalsContact OD1-N 3.07Å; D224-T226 PolarHBondContact OD1-OG1 3.11Å; D224-T226 PolarHBondContact OD2-OG1 3.25Å; T226-S229 PolarHBondContact O-OG 3.39Å; T226-S229 VanDerWaalsContact O-OG 3.09Å; T226-A230 VanDerWaalsContact O-CB 3.32Å; T226-A230 WeakPolarHBondContact O-CB 3.1Å; T226-A230 PolarHBondContact O-N 3.17Å
227S82Confident83.2Confident0 Ų063 Ų630%036%0.364CS..Hα-helixtrans-72-43.5177.1-62.80000112.5L170 K198 D224 S229 A230 A231 Y237L170-S227 VanDerWaalsContact CD1-CB 3.47Å; L170-S227 WeakPolarHBondContact CD1-OG 3.42Å; K198-S227 WeakPolarHBondContact CE-OG 3.43Å; K198-S227 PolarHBondContact NZ-OG 2.78Å; D224-S227 PolarHBondContact O-N 3.15Å; D224-S227 VanDerWaalsContact OD2-CB 3.3Å; D224-S227 WeakPolarHBondContact OD2-CB 3.27Å; D224-S227 PolarHBondContact OD2-OG 2.94Å; S227-S229 VanDerWaalsContact C-N 3.26Å; S227-S229 PolarHBondContact O-N 2.78Å; S227-A230 PolarHBondContact O-N 3.15Å; S227-A230 VanDerWaalsContact O-N 3.12Å; S227-A231 PolarHBondContact O-N 3.14Å; S227-Y237 WeakPolarHBondContact CA-OH 3.26Å; S227-Y237 VanDerWaalsContact CB-CE1 3.48Å; S227-Y237 PolarHBondContact OG-OH 3.4Å
228T80.5Confident83.8Confident69 Ų6962.2 Ų62.242%0.42336%0.36SS..Hα-helixtrans-63.1-34.6-178.4-51.70000112D224D224-T228 PolarHBondContact O-N 3.02Å; D224-T228 VanDerWaalsContact O-N 3.12Å; D224-T228 PolarHBondContact O-OG1 2.71Å
229S86.1Confident84.4Confident97 Ų9756 Ų5668%0.67833%0.327SS*.Hα-helixtrans-78.6-24.617657.70000114P225 T226 S227P225-S229 VanDerWaalsContact O-CB 3.28Å; P225-S229 WeakPolarHBondContact O-CB 3.09Å; P225-S229 PolarHBondContact O-N 3.21Å; P225-S229 PolarHBondContact O-OG 2.94Å; T226-S229 PolarHBondContact O-OG 3.39Å; T226-S229 VanDerWaalsContact O-OG 3.09Å; S227-S229 VanDerWaalsContact C-N 3.26Å; S227-S229 PolarHBondContact O-N 2.78Å
230A92.2Very high85.1Confident28 Ų2855.4 Ų55.423%0.23133%0.325CS..Hα-helixtrans-87.5-21.2-179.100000113.9A200 N202 T226 S227 Y237A200-A230 HydrophobicContact CB-CB 3.9Å; N202-A230 PolarHBondContact ND2-O 2.66Å; T226-A230 VanDerWaalsContact O-CB 3.32Å; T226-A230 WeakPolarHBondContact O-CB 3.1Å; T226-A230 PolarHBondContact O-N 3.17Å; S227-A230 PolarHBondContact O-N 3.15Å; S227-A230 VanDerWaalsContact O-N 3.12Å; A230-Y237 HydrophobicContact CB-CE2 3.77Å
231A94.1Very high86.6Confident27 Ų2750.3 Ų50.322%0.22329%0.292CS..PPolyproline II helixtrans-71.6134.1179.100000112F219 S227 Y237F219-A231 HydrophobicContact CE2-CB 3.95Å; F219-A231 HydrophobicContact CZ-CB 3.68Å; S227-A231 PolarHBondContact O-N 3.14Å; A231-Y237 HydrophobicContact CB-CD1 4.5Å; A231-Y237 HydrophobicContact CB-CD2 3.94Å; A231-Y237 HydrophobicContact CB-CG 3.85Å
232L95.8Very high88.3Confident88 Ų8846.1 Ų46.146%0.46127%0.269SS..PPolyproline II helixtrans-103142.8179.4-61.8179000111.8N202 H235N202-L232 HydrophobicContact CB-CB 4.4Å; N202-L232 HydrophobicContact CB-CD1 3.94Å; N202-L232 HydrophobicContact CB-CG 4.23Å; N202-L232 PolarHBondContact OD1-N 3.19Å; L232-H235 HydrophobicContact CB-CB 4.21Å; L232-H235 PolarHBondContact O-N 2.8Å
233P95.9Very high90.2Very high70 Ų7039 Ų3946%0.45524%0.236SC..THydrogen-bonded Turntrans-55.1144.2168.7-24.834.1000112P214 I216 H235P214-P233 HydrophobicContact CB-CB 4.12Å; I216-P233 HydrophobicContact CD1-CB 3.77Å; I216-P233 HydrophobicContact CD1-CG 3.96Å; P233-H235 PolarHBondContact O-N 3Å; P233-H235 PolarHBondContact O-ND1 2.81Å
234N97.3Very high92Very high37 Ų3731.9 Ų31.920%0.19820%0.197CC..THydrogen-bonded Turntrans61.422.4-176.8-53.6-57.6000114.9I205 P214 F215I205-N234 WeakPolarHBondContact CG2-O 3.31Å; I205-N234 PolarHBondContact N-O 2.93Å; I205-N234 VanDerWaalsContact N-O 3.11Å; P214-N234 VanDerWaalsContact CA-OD1 3.31Å; P214-N234 WeakPolarHBondContact CA-OD1 3.33Å; F215-N234 PolarHBondContact N-OD1 3.34Å; F215-N234 PolarHBondContact O-N 2.81Å
235H97.6Very high93.1Very high50 Ų5031.7 Ų31.723%0.23120%0.196CC..EExtended strand (participates in β ladder)trans-129.4148.1173.7-62.872.8000110.2N202 V203 F215 L232 P233N202-H235 HydrophobicContact CB-CB 3.85Å; N202-H235 PolarHBondContact O-CD2 2.92Å; V203-H235 CarbonylContact O-C 3.48Å; V203-H235 WeakPolarHBondContact O-CA 3.29Å; F215-H235 WeakPolarHBondContact CD1-O 3.49Å; F215-H235 VanDerWaalsContact CE1-O 3.31Å; F215-H235 WeakPolarHBondContact CE1-O 3.34Å; L232-H235 HydrophobicContact CB-CB 4.21Å; L232-H235 PolarHBondContact O-N 2.8Å; P233-H235 PolarHBondContact O-N 3Å; P233-H235 PolarHBondContact O-ND1 2.81Å
236I97.2Very high94.2Very high0 Ų027.4 Ų27.40%017%0.169CC..EExtended strand (participates in β ladder)trans-84.5126.1166.4-59138.1000106.9V203 I205 F215 L238 R287 Y289 L291V203-I236 PolarHBondContact N-O 2.8Å; V203-I236 PolarHBondContact O-N 2.97Å; I205-I236 HydrophobicContact CB-CD1 4.01Å; I205-I236 HydrophobicContact CB-CG1 4.12Å; I205-I236 HydrophobicContact CD1-CG1 4.33Å; I205-I236 HydrophobicContact CG1-CD1 3.97Å; I205-I236 HydrophobicContact CG1-CG1 4.17Å; F215-I236 HydrophobicContact CE1-CG1 4.35Å; I236-L238 HydrophobicContact CG2-CD2 3.88Å; I236-R287 HydrophobicContact CG2-CB 3.75Å; I236-R287 HydrophobicContact CG2-CG 4.45Å; I236-Y289 HydrophobicContact CD1-CG 4.28Å; I236-Y289 HydrophobicContact CG1-CD2 3.94Å; I236-Y289 HydrophobicContact CG1-CG 4.06Å; I236-Y289 HydrophobicContact CG2-CD2 4.05Å; I236-L291 HydrophobicContact CD1-CD2 3.32Å
237Y97.1Very high95Very high2 Ų224.3 Ų24.31%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-93.9127.6-177.1177.6-105.1000111.3F171 A200 E217 F219 S227 A230 A231 D239F171-Y237 AromaticContact CE2-CD1 3.95Å; F171-Y237 HydrophobicContact CE2-CD1 3.95Å; F171-Y237 HydrophobicContact CE2-CE1 4.35Å; F171-Y237 WeakPolarHBondContact CE2-O 3.33Å; F171-Y237 HydrophobicContact CZ-CD1 4.37Å; A200-Y237 HydrophobicContact CB-CE2 4.11Å; E217-Y237 PolarHBondContact OE2-N 2.99Å; F219-Y237 AromaticContact CE1-CD1 3.82Å; F219-Y237 HydrophobicContact CE1-CD1 3.82Å; F219-Y237 HydrophobicContact CE1-CG 4.42Å; F219-Y237 AromaticContact CZ-CD1 3.73Å; F219-Y237 HydrophobicContact CZ-CD1 3.73Å; F219-Y237 HydrophobicContact CZ-CG 4.1Å; S227-Y237 WeakPolarHBondContact CA-OH 3.26Å; S227-Y237 VanDerWaalsContact CB-CE1 3.48Å; S227-Y237 PolarHBondContact OG-OH 3.4Å; A230-Y237 HydrophobicContact CB-CE2 3.77Å; A231-Y237 HydrophobicContact CB-CD1 4.5Å; A231-Y237 HydrophobicContact CB-CD2 3.94Å; A231-Y237 HydrophobicContact CB-CG 3.85Å; Y237-D239 HydrophobicContact CE1-CB 3.63Å; Y237-D239 WeakPolarHBondContact OH-CB 3.47Å
238L97.1Very high95.8Very high0 Ų024.3 Ų24.30%015%0.15CC..EExtended strand (participates in β ladder)trans-127.6141.7175-29.6167.1000109.3I201 V203 I236 F243 I286 R287 I299I201-L238 HydrophobicContact CB-CB 3.96Å; I201-L238 HydrophobicContact CB-CD1 4.35Å; I201-L238 HydrophobicContact CB-CG 4.37Å; I201-L238 WeakPolarHBondContact CB-O 3.22Å; I201-L238 HydrophobicContact CD1-CB 4.12Å; I201-L238 HydrophobicContact CG1-CB 4.48Å; I201-L238 HydrophobicContact CG2-CD1 4.05Å; I201-L238 PolarHBondContact N-O 3.36Å; I201-L238 PolarHBondContact O-N 2.69Å; V203-L238 HydrophobicContact CG2-CD1 3.9Å; V203-L238 HydrophobicContact CG2-CG 4.5Å; I236-L238 HydrophobicContact CG2-CD2 3.88Å; L238-F243 HydrophobicContact CB-CB 4Å; L238-F243 HydrophobicContact CB-CD1 4.09Å; L238-F243 HydrophobicContact CB-CD2 3.62Å; L238-F243 HydrophobicContact CB-CE1 4.47Å; L238-F243 HydrophobicContact CB-CE2 4.03Å; L238-F243 HydrophobicContact CB-CG 3.63Å; L238-F243 HydrophobicContact CB-CZ 4.43Å; L238-F243 HydrophobicContact CD1-CB 3.95Å; L238-F243 HydrophobicContact CD1-CD1 4.11Å; L238-F243 HydrophobicContact CD1-CG 4.1Å; L238-F243 HydrophobicContact CD2-CD1 3.95Å; L238-F243 HydrophobicContact CD2-CE1 3.96Å; L238-F243 HydrophobicContact CD2-CG 4.36Å; L238-F243 HydrophobicContact CD2-CZ 4.36Å; L238-F243 HydrophobicContact CG-CD1 4.29Å; L238-F243 HydrophobicContact CG-CG 4.26Å; L238-I286 HydrophobicContact CD1-CD1 4Å; L238-I286 HydrophobicContact CD1-CG2 4.05Å; L238-I286 HydrophobicContact CD2-CG2 4.21Å; L238-R287 HydrophobicContact CD2-CB 3.74Å; L238-R287 HydrophobicContact CD2-CG 3.44Å; L238-R287 VanDerWaalsContact CD2-CG 3.44Å; L238-I299 HydrophobicContact CD1-CG2 3.91Å
239D96.4Very high96.7Very high2 Ų221.4 Ų21.41%0.01113%0.133CC..  trans-13217.8-165.275.3-23.6000115.2S169 L170 F171 K198 V199 Y237S169-D239 WeakPolarHBondContact CA-OD2 3.44Å; S169-D239 WeakPolarHBondContact CB-OD1 3.37Å; S169-D239 PolarHBondContact OG-OD1 2.94Å; L170-D239 PolarHBondContact N-OD2 3.34Å; F171-D239 WeakPolarHBondContact CD2-OD1 3.3Å; K198-D239 HydrophobicContact CD-CB 4.41Å; K198-D239 IonicContact NZ-OD2 3.76Å; K198-D239 PolarHBondContact NZ-OD2 3.36Å; V199-D239 WeakPolarHBondContact O-CA 3.43Å; Y237-D239 HydrophobicContact CE1-CB 3.63Å; Y237-D239 WeakPolarHBondContact OH-CB 3.47Å
240A97.4Very high97.3Very high2 Ų216.8 Ų16.82%0.01710%0.1CC..SBendtrans-138.9149.6-175.400000112.9F172 G242 F243F172-A240 HydrophobicContact CB-CB 3.68Å; F172-A240 HydrophobicContact CG-CB 4.23Å; A240-G242 PolarHBondContact O-N 3.39Å; A240-F243 HydrophobicContact CB-CD2 3.82Å; A240-F243 HydrophobicContact CB-CE2 4.16Å; A240-F243 PolarHBondContact O-N 2.67Å; A240-F243 VanDerWaalsContact O-N 3.13Å
241M98.6Very high97.6Very high6 Ų615.7 Ų15.73%0.039%0.09CC..THydrogen-bonded Turntrans-55.8-35173178.6172.1176.200112.3Y95 L187 T188 I191 F243 G244 M245 S303 V304Y95-M241 HydrophobicContact CD2-CE 3.71Å; Y95-M241 HydrophobicContact CD2-CG 4.23Å; Y95-M241 HydrophobicContact CD2-SD 4.16Å; Y95-M241 HydrophobicContact CE2-CB 4.19Å; Y95-M241 HydrophobicContact CE2-CE 3.76Å; Y95-M241 HydrophobicContact CE2-CG 3.58Å; Y95-M241 HydrophobicContact CE2-SD 3.56Å; Y95-M241 VanDerWaalsContact CE2-SD 3.56Å; L187-M241 HydrophobicContact CB-CE 3.87Å; L187-M241 HydrophobicContact CB-SD 3.99Å; L187-M241 HydrophobicContact CD1-CE 3.98Å; T188-M241 HydrophobicContact CG2-CB 4.29Å; I191-M241 HydrophobicContact CD1-SD 4.08Å; M241-F243 PolarHBondContact O-N 3.04Å; M241-G244 PolarHBondContact O-N 3.22Å; M241-G244 VanDerWaalsContact O-N 3.08Å; M241-M245 HydrophobicContact CE-CB 4.21Å; M241-M245 HydrophobicContact CE-CE 4.4Å; M241-M245 HydrophobicContact CE-CG 3.65Å; M241-M245 HydrophobicContact CG-CB 4.16Å; M241-M245 HydrophobicContact CG-CG 3.99Å; M241-M245 PolarHBondContact O-N 3.1Å; M241-S303 VanDerWaalsContact CA-O 3.28Å; M241-S303 WeakPolarHBondContact CA-O 3.14Å; M241-S303 PolarHBondContact O-OG 2.86Å; M241-V304 HydrophobicContact CE-CG1 3.71Å; M241-V304 HydrophobicContact CG-CG1 3.77Å; M241-V304 HydrophobicContact SD-CG1 3.98Å
242G98.3Very high97.7Very high0 Ų014.4 Ų14.40%08%0.08CC..Hα-helixtrans-66.2-16.4179.700000115.9Y95 F172 A240 G244 G246Y95-G242 PolarHBondContact OH-N 3.32Å; F172-G242 WeakPolarHBondContact CE2-O 3.18Å; A240-G242 PolarHBondContact O-N 3.39Å; G242-G244 VanDerWaalsContact C-N 3.29Å; G242-G246 WeakPolarHBondContact O-CA 3.42Å; G242-G246 PolarHBondContact O-N 3.42Å
243F98.6Very high97.8Very high0 Ų011 Ų110%06%0.063CC..Hα-helixtrans-70.7-27.7171.1-78-71.9000113.2L148 F171 F172 I201 L238 A240 M241 C247 I286 R287 I299L148-F243 HydrophobicContact CD2-CD1 3.99Å; L148-F243 HydrophobicContact CG-CD1 4.01Å; L148-F243 HydrophobicContact CG-CE1 4.1Å; L148-F243 WeakPolarHBondContact O-CE1 3.25Å; F171-F243 HydrophobicContact CB-CE2 3.98Å; F171-F243 HydrophobicContact CB-CZ 3.6Å; F171-F243 HydrophobicContact CD2-CE2 4.08Å; F171-F243 HydrophobicContact CD2-CZ 4.11Å; F171-F243 HydrophobicContact CG-CZ 4.22Å; F172-F243 HydrophobicContact CB-CE2 4.11Å; I201-F243 HydrophobicContact CD1-CB 4.12Å; L238-F243 HydrophobicContact CB-CB 4Å; L238-F243 HydrophobicContact CB-CD1 4.09Å; L238-F243 HydrophobicContact CB-CD2 3.62Å; L238-F243 HydrophobicContact CB-CE1 4.47Å; L238-F243 HydrophobicContact CB-CE2 4.03Å; L238-F243 HydrophobicContact CB-CG 3.63Å; L238-F243 HydrophobicContact CB-CZ 4.43Å; L238-F243 HydrophobicContact CD1-CB 3.95Å; L238-F243 HydrophobicContact CD1-CD1 4.11Å; L238-F243 HydrophobicContact CD1-CG 4.1Å; L238-F243 HydrophobicContact CD2-CD1 3.95Å; L238-F243 HydrophobicContact CD2-CE1 3.96Å; L238-F243 HydrophobicContact CD2-CG 4.36Å; L238-F243 HydrophobicContact CD2-CZ 4.36Å; L238-F243 HydrophobicContact CG-CD1 4.29Å; L238-F243 HydrophobicContact CG-CG 4.26Å; A240-F243 HydrophobicContact CB-CD2 3.82Å; A240-F243 HydrophobicContact CB-CE2 4.16Å; A240-F243 PolarHBondContact O-N 2.67Å; A240-F243 VanDerWaalsContact O-N 3.13Å; M241-F243 PolarHBondContact O-N 3.04Å; F243-C247 PolarHBondContact O-SG 3.45Å; F243-I286 HydrophobicContact CD1-CD1 4.1Å; F243-I286 HydrophobicContact CD1-CG1 4.39Å; F243-R287 HydrophobicContact CE1-CG 3.78Å; F243-R287 HydrophobicContact CZ-CG 4.07Å; F243-I299 HydrophobicContact CB-CG2 4.4Å; F243-I299 WeakPolarHBondContact O-CG2 3.27Å
244G98.5Very high97.8Very high0 Ų07.8 Ų7.80%04%0.041CC..Hα-helixtrans-100.5-57.5176.500000112.4M241 G242 G246 C247 I300 S303M241-G244 PolarHBondContact O-N 3.22Å; M241-G244 VanDerWaalsContact O-N 3.08Å; G242-G244 VanDerWaalsContact C-N 3.29Å; G244-G246 PolarHBondContact O-N 2.89Å; G244-C247 WeakPolarHBondContact O-CB 3.46Å; G244-C247 PolarHBondContact O-N 2.95Å; G244-I300 WeakPolarHBondContact O-CD1 3.43Å; G244-I300 WeakPolarHBondContact O-CG1 3.49Å; G244-S303 WeakPolarHBondContact CA-OG 3.35Å
245M98.1Very high97.6Very high26 Ų266.6 Ų6.613%0.1284%0.035CC..Hα-helixtrans-72.2-10.4-179.8-68.5-76.7-167.800113.2Y95 M241 C247 I300 V304 F329 W407Y95-M245 WeakPolarHBondContact CB-O 3.28Å; Y95-M245 HydrophobicContact CD1-CB 3.94Å; Y95-M245 HydrophobicContact CD2-CB 3.9Å; Y95-M245 HydrophobicContact CG-CB 3.55Å; M241-M245 HydrophobicContact CE-CB 4.21Å; M241-M245 HydrophobicContact CE-CE 4.4Å; M241-M245 HydrophobicContact CE-CG 3.65Å; M241-M245 HydrophobicContact CG-CB 4.16Å; M241-M245 HydrophobicContact CG-CG 3.99Å; M241-M245 PolarHBondContact O-N 3.1Å; M245-C247 VanDerWaalsContact C-N 3.3Å; M245-I300 HydrophobicContact CE-CG2 4.37Å; M245-I300 HydrophobicContact CG-CG2 4.42Å; M245-I300 HydrophobicContact SD-CG2 4.19Å; M245-V304 HydrophobicContact CE-CB 4.49Å; M245-V304 HydrophobicContact CE-CG1 3.66Å; M245-V304 HydrophobicContact CE-CG2 4.16Å; M245-V304 HydrophobicContact CG-CG1 3.85Å; M245-F329 HydrophobicContact CE-CD2 4.08Å; M245-W407 HydrophobicContact CE-CD2 3.79Å; M245-W407 HydrophobicContact CE-CE3 4.06Å; M245-W407 HydrophobicContact CE-CG 4.24Å; M245-W407 HydrophobicContact CE-CH2 4.31Å; M245-W407 HydrophobicContact CE-CZ2 4.04Å; M245-W407 HydrophobicContact CE-CZ3 4.3Å
246G98.3Very high97.4Very high4 Ų44.3 Ų4.34%0.0413%0.025CC..THydrogen-bonded Turntrans-86.64.3165.200000114.1Y98 M99 G242 G244Y98-G246 WeakPolarHBondContact OH-CA 3.23Å; M99-G246 VanDerWaalsContact SD-C 3.57Å; G242-G246 WeakPolarHBondContact O-CA 3.42Å; G242-G246 PolarHBondContact O-N 3.42Å; G244-G246 PolarHBondContact O-N 2.89Å
247C98.5Very high97.2Very high3 Ų36 Ų62%0.024%0.036CC..SBendtrans-87152.1166-660000110M99 S143 F243 G244 M245 R296 I300M99-C247 WeakPolarHBondContact CE-O 3.2Å; S143-C247 CarbonylContact O-C 3.48Å; S143-C247 WeakPolarHBondContact O-CA 3.28Å; S143-C247 WeakPolarHBondContact O-CB 3.26Å; F243-C247 PolarHBondContact O-SG 3.45Å; G244-C247 WeakPolarHBondContact O-CB 3.46Å; G244-C247 PolarHBondContact O-N 2.95Å; M245-C247 VanDerWaalsContact C-N 3.3Å; C247-R296 HydrophobicContact CB-CB 4.19Å; C247-R296 HydrophobicContact CB-CG 4.45Å; C247-I300 HydrophobicContact CB-CD1 4.18Å
248S98.5Very high97.1Very high0 Ų06.6 Ų6.60%04%0.04CC..  trans-105.1155.1-179.1-51.20000114.1E52 T54 M99 I142 S143 R296E52-S248 VanDerWaalsContact OE2-C 3.31Å; E52-S248 WeakPolarHBondContact OE2-CA 3.43Å; T54-S248 PolarHBondContact OG1-OG 3.31Å; M99-S248 WeakPolarHBondContact CE-OG 3.05Å; I142-S248 VanDerWaalsContact O-CB 3.29Å; I142-S248 WeakPolarHBondContact O-CB 3.48Å; I142-S248 PolarHBondContact O-OG 3.36Å; S143-S248 WeakPolarHBondContact CA-O 3.46Å; S143-S248 PolarHBondContact O-N 2.85Å; S143-S248 PolarHBondContact OG-O 2.62Å; S248-R296 WeakPolarHBondContact O-CD 3.26Å; S248-R296 PolarHBondContact O-NE 3.29Å
249C98.5Very high97Very high8 Ų87.2 Ų7.25%0.0544%0.043CC..BIsolated β-bridgetrans-145.6169.7178.972.90000115.7E52 Q251E52-C249 PolarHBondContact OE1-SG 3.45Å; E52-C249 PolarHBondContact OE2-N 2.91Å; C249-Q251 WeakPolarHBondContact SG-CG 3.25Å; C249-Q251 PolarHBondContact SG-NE2 2.79Å
250L98.6Very high96.9Very high0 Ų011.1 Ų11.10%06%0.064CC..EExtended strand (participates in β ladder)trans-109119.6169.2174.563.8000108.6D49 M122 I252 T430 L432 N439 F442 V443D49-L250 HydrophobicContact CB-CD1 4.12Å; M122-L250 HydrophobicContact CE-CD1 4.24Å; L250-I252 HydrophobicContact CD2-CD1 4.46Å; L250-I252 HydrophobicContact CG-CD1 4.03Å; L250-T430 HydrophobicContact CB-CG2 4.3Å; L250-T430 HydrophobicContact CD2-CG2 4.08Å; L250-T430 PolarHBondContact N-O 2.98Å; L250-T430 WeakPolarHBondContact O-CB 3.43Å; L250-L432 HydrophobicContact CB-CD1 4.14Å; L250-N439 HydrophobicContact CD2-CB 4.23Å; L250-F442 HydrophobicContact CD2-CB 3.89Å; L250-V443 HydrophobicContact CD1-CG2 3.89Å; L250-V443 HydrophobicContact CD2-CG2 3.99Å; L250-V443 HydrophobicContact CG-CG2 4.31Å
251Q98.5Very high96.8Very high5 Ų512.7 Ų12.72%0.0237%0.071CC..EExtended strand (participates in β ladder)trans-114.1144.5176.7-49.2179.130.500109.7D49 E50 E52 C249 F427D49-Q251 CarbonylContact C-O 3.56Å; D49-Q251 VanDerWaalsContact CA-O 3.28Å; D49-Q251 WeakPolarHBondContact CA-O 3.41Å; E50-Q251 HydrophobicContact CB-CB 4.19Å; E50-Q251 PolarHBondContact N-O 3.48Å; E50-Q251 PolarHBondContact O-N 3.38Å; E52-Q251 PolarHBondContact OE1-NE2 3.24Å; C249-Q251 WeakPolarHBondContact SG-CG 3.25Å; C249-Q251 PolarHBondContact SG-NE2 2.79Å; Q251-F427 WeakPolarHBondContact CA-O 3.42Å
252I98.2Very high96.7Very high0 Ų012.4 Ų12.40%07%0.07CC..EExtended strand (participates in β ladder)trans-127.4117.5-179.3-52.783.9000108.8L250 F254 E426 F427 V443 I446 L447L250-I252 HydrophobicContact CD2-CD1 4.46Å; L250-I252 HydrophobicContact CG-CD1 4.03Å; I252-F254 HydrophobicContact CG2-CD1 4.1Å; I252-F254 HydrophobicContact CG2-CE1 4.44Å; I252-E426 CarbonylContact O-C 3.45Å; I252-E426 WeakPolarHBondContact O-CA 3.4Å; I252-F427 HydrophobicContact CD1-CD1 4.49Å; I252-F427 PolarHBondContact N-O 2.91Å; I252-F427 PolarHBondContact O-N 2.73Å; I252-V443 HydrophobicContact CG1-CB 4.46Å; I252-V443 HydrophobicContact CG1-CG2 3.95Å; I252-I446 HydrophobicContact CD1-CD1 3.49Å; I252-I446 VanDerWaalsContact CD1-CD1 3.49Å; I252-I446 HydrophobicContact CG1-CD1 4.31Å; I252-L447 HydrophobicContact CG2-CD1 4.41Å; I252-L447 HydrophobicContact CG2-CD2 4.19Å; I252-L447 HydrophobicContact CG2-CG 4.14Å
253T97.7Very high96.7Very high17 Ų1713 Ų1310%0.1047%0.072CC..EExtended strand (participates in β ladder)trans-107.3132175.1-65.80000110.1W47 G48 K413 R424 V425 E426W47-T253 CarbonylContact C-O 3.59Å; W47-T253 WeakPolarHBondContact CA-O 3.23Å; W47-T253 WeakPolarHBondContact CB-O 3.34Å; G48-T253 PolarHBondContact N-O 2.68Å; G48-T253 PolarHBondContact O-N 3.46Å; T253-K413 HydrophobicContact CG2-CD 4.33Å; T253-R424 HydrophobicContact CG2-CB 4.07Å; T253-R424 HydrophobicContact CG2-CG 4.29Å; T253-V425 WeakPolarHBondContact CA-O 3.15Å; T253-E426 WeakPolarHBondContact OG1-CB 3.14Å; T253-E426 WeakPolarHBondContact OG1-CG 3.45Å; T253-E426 PolarHBondContact OG1-OE1 3.08Å
254F94.6Very high96.6Very high1 Ų115.8 Ų15.80%0.0049%0.086CC..EExtended strand (participates in β ladder)trans-134.7146.317142.6-84.6000111.8L45 K46 W47 I252 L265 L269 R424 V425 I446 L447L45-F254 HydrophobicContact CD1-CB 4.24Å; K46-F254 WeakPolarHBondContact O-CA 3.42Å; W47-F254 HydrophobicContact CB-CB 3.63Å; I252-F254 HydrophobicContact CG2-CD1 4.1Å; I252-F254 HydrophobicContact CG2-CE1 4.44Å; F254-L265 HydrophobicContact CD2-CD1 4.19Å; F254-L265 HydrophobicContact CE2-CB 4.36Å; F254-L265 HydrophobicContact CE2-CD1 3.93Å; F254-L269 HydrophobicContact CE1-CD1 4.32Å; F254-L269 HydrophobicContact CE2-CD1 3.92Å; F254-L269 HydrophobicContact CZ-CD1 3.3Å; F254-R424 VanDerWaalsContact O-CA 3.3Å; F254-R424 WeakPolarHBondContact O-CA 3.46Å; F254-V425 HydrophobicContact CD2-CG2 3.63Å; F254-V425 HydrophobicContact CE1-CG2 4.38Å; F254-V425 HydrophobicContact CE2-CG2 3.06Å; F254-V425 HydrophobicContact CG-CG2 4.46Å; F254-V425 HydrophobicContact CZ-CG2 3.46Å; F254-V425 VanDerWaalsContact CZ-CG2 3.46Å; F254-V425 PolarHBondContact N-O 2.85Å; F254-V425 PolarHBondContact O-N 3.04Å; F254-I446 HydrophobicContact CE1-CG2 4.33Å; F254-L447 HydrophobicContact CB-CD2 4.04Å; F254-L447 HydrophobicContact CD1-CD2 3.75Å; F254-L447 HydrophobicContact CG-CD2 4.09Å
255Q94.1Very high96.5Very high13 Ų1315.8 Ų15.86%0.0619%0.086CC..EExtended strand (participates in β ladder)trans-87.4124.2177.7-175.1-176.4-90.800109.5T44 K46 W423 R424T44-Q255 PolarHBondContact O-NE2 3.39Å; K46-Q255 HydrophobicContact CB-CB 4.27Å; K46-Q255 WeakPolarHBondContact O-CB 3.42Å; K46-Q255 PolarHBondContact O-N 3.14Å; Q255-W423 WeakPolarHBondContact CA-O 3.36Å; Q255-R424 HydrophobicContact CB-CG 4.04Å; Q255-R424 HydrophobicContact CG-CG 4.35Å
256A93.3Very high96.5Very high2 Ų214.5 Ų14.52%0.0178%0.08CC..  trans-82.1165.8172.200000111.2E261 A262 L265 W423A256-E261 VanDerWaalsContact CA-OE1 3.24Å; A256-E261 WeakPolarHBondContact CA-OE1 3.41Å; A256-E261 HydrophobicContact CB-CB 4.06Å; A256-E261 HydrophobicContact CB-CG 4.05Å; A256-E261 WeakPolarHBondContact CB-OE1 3.29Å; A256-A262 HydrophobicContact CB-CB 3.68Å; A256-L265 HydrophobicContact CB-CD1 4.23Å; A256-W423 PolarHBondContact N-O 2.83Å
257C92.5Very high96.5Very high34 Ų3414.3 Ų14.323%0.238%0.078CC..SBendtrans-69.3-35.6179.477.90000113.6M41 K42 E261M41-C257 CarbonylContact C-O 3.53Å; M41-C257 VanDerWaalsContact CA-O 3.24Å; M41-C257 WeakPolarHBondContact CA-O 3.31Å; K42-C257 PolarHBondContact N-O 2.83Å; K42-C257 WeakPolarHBondContact O-CA 3.11Å; K42-C257 VanDerWaalsContact O-CB 3.32Å; K42-C257 WeakPolarHBondContact O-CB 3.43Å; C257-E261 PolarHBondContact N-OE1 2.9Å; C257-E261 VanDerWaalsContact SG-CD 3.6Å; C257-E261 PolarHBondContact SG-OE2 3.09Å
258C94.4Very high96.5Very high15 Ų1514.2 Ų14.210%0.1018%0.077CC..SBendtrans-152.4-179.6178.866.30000109.9M41 D260 A262M41-C258 HydrophobicContact CG-CB 4.34Å; C258-D260 VanDerWaalsContact C-N 3.3Å; C258-D260 PolarHBondContact O-N 3.35Å; C258-A262 PolarHBondContact O-N 3.2Å; C258-A262 VanDerWaalsContact O-N 3.09Å
259I96.2Very high96.5Very high13 Ų1314.3 Ų14.37%0.0678%0.078CC..Hα-helixtrans-60.7-37.2177.4-169.2171.6000112.7Y34 A262 R263 L367 F412 W423Y34-I259 HydrophobicContact CD2-CD1 4.36Å; Y34-I259 HydrophobicContact CE2-CD1 3.82Å; I259-A262 WeakPolarHBondContact O-CB 3.27Å; I259-A262 PolarHBondContact O-N 2.89Å; I259-R263 VanDerWaalsContact O-CG 3.27Å; I259-R263 WeakPolarHBondContact O-CG 3.39Å; I259-R263 PolarHBondContact O-N 3.45Å; I259-L367 HydrophobicContact CD1-CD2 3.91Å; I259-F412 HydrophobicContact CD1-CZ 4.36Å; I259-F412 HydrophobicContact CG1-CZ 3.93Å; I259-W423 HydrophobicContact CB-CD2 3.92Å; I259-W423 HydrophobicContact CB-CG 4.05Å; I259-W423 HydrophobicContact CB-CZ2 4.41Å; I259-W423 HydrophobicContact CD1-CD2 4.25Å; I259-W423 HydrophobicContact CD1-CE3 4.25Å; I259-W423 HydrophobicContact CD1-CH2 3.65Å; I259-W423 HydrophobicContact CD1-CZ2 3.64Å; I259-W423 HydrophobicContact CD1-CZ3 3.97Å; I259-W423 HydrophobicContact CG1-CD2 3.87Å; I259-W423 HydrophobicContact CG1-CE3 4.01Å; I259-W423 HydrophobicContact CG1-CG 4.44Å; I259-W423 HydrophobicContact CG1-CH2 4.31Å; I259-W423 HydrophobicContact CG1-CZ2 4.18Å; I259-W423 HydrophobicContact CG1-CZ3 4.23Å
260D94.3Very high96.5Very high84 Ų8413.9 Ų13.945%0.4498%0.075SC..Hα-helixtrans-69.4-45.5-177.7-59.7-41.4000111.9C258 A262 R263 I264C258-D260 VanDerWaalsContact C-N 3.3Å; C258-D260 PolarHBondContact O-N 3.35Å; D260-A262 VanDerWaalsContact C-N 3.27Å; D260-A262 PolarHBondContact O-N 2.86Å; D260-R263 PolarHBondContact O-N 3.29Å; D260-I264 WeakPolarHBondContact O-CG1 3.35Å; D260-I264 PolarHBondContact O-N 2.76Å
261E95Very high96.5Very high35 Ų3514 Ų1416%0.1648%0.075CC..Hα-helixtrans-60.6-40173.1-174.5-174.3104.600110.7A256 C257 R263 I264 L265 R451 L454A256-E261 VanDerWaalsContact CA-OE1 3.24Å; A256-E261 WeakPolarHBondContact CA-OE1 3.41Å; A256-E261 HydrophobicContact CB-CB 4.06Å; A256-E261 HydrophobicContact CB-CG 4.05Å; A256-E261 WeakPolarHBondContact CB-OE1 3.29Å; C257-E261 PolarHBondContact N-OE1 2.9Å; C257-E261 VanDerWaalsContact SG-CD 3.6Å; C257-E261 PolarHBondContact SG-OE2 3.09Å; E261-R263 VanDerWaalsContact C-N 3.34Å; E261-R263 PolarHBondContact O-N 3.35Å; E261-I264 PolarHBondContact O-N 2.7Å; E261-L265 HydrophobicContact CG-CD1 3.98Å; E261-L265 HydrophobicContact CG-CG 4.31Å; E261-L265 WeakPolarHBondContact O-CB 3.35Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 3.24Å; E261-R451 IonicContact OE1-NH1 3.84Å; E261-L454 VanDerWaalsContact CD-CD1 3.46Å; E261-L454 HydrophobicContact CG-CD1 3.79Å; E261-L454 HydrophobicContact CG-CD2 3.79Å; E261-L454 HydrophobicContact CG-CG 4.46Å
262A96.8Very high96.5Very high0 Ų013.7 Ų13.70%07%0.074CC..Hα-helixtrans-61.3-42.1176.500000111.9A256 C258 I259 D260 L265 Y266 F412 W423 V425A256-A262 HydrophobicContact CB-CB 3.68Å; C258-A262 PolarHBondContact O-N 3.2Å; C258-A262 VanDerWaalsContact O-N 3.09Å; I259-A262 WeakPolarHBondContact O-CB 3.27Å; I259-A262 PolarHBondContact O-N 2.89Å; D260-A262 VanDerWaalsContact C-N 3.27Å; D260-A262 PolarHBondContact O-N 2.86Å; A262-L265 PolarHBondContact O-N 3.44Å; A262-Y266 VanDerWaalsContact O-CB 3.31Å; A262-Y266 WeakPolarHBondContact O-CB 3.22Å; A262-Y266 PolarHBondContact O-N 3.34Å; A262-F412 HydrophobicContact CB-CD2 4.32Å; A262-F412 HydrophobicContact CB-CE2 3.7Å; A262-W423 HydrophobicContact CB-CB 3.85Å; A262-V425 HydrophobicContact CB-CG1 4.25Å; A262-V425 WeakPolarHBondContact O-CG1 3.15Å
263R97.1Very high96.5Very high13 Ų1313.7 Ų13.75%0.0497%0.074CC..Hα-helixtrans-65.4-43.4176.8-68.6162.769.5162.413111.8I259 D260 E261 Y266 D267 L336 D364 T366 F412I259-R263 VanDerWaalsContact O-CG 3.27Å; I259-R263 WeakPolarHBondContact O-CG 3.39Å; I259-R263 PolarHBondContact O-N 3.45Å; D260-R263 PolarHBondContact O-N 3.29Å; E261-R263 VanDerWaalsContact C-N 3.34Å; E261-R263 PolarHBondContact O-N 3.35Å; R263-Y266 PolarHBondContact O-N 3.24Å; R263-D267 VanDerWaalsContact O-CG 3.31Å; R263-D267 PolarHBondContact O-N 3.49Å; R263-D267 VanDerWaalsContact O-N 3.07Å; R263-L336 HydrophobicContact CB-CB 4.02Å; R263-L336 HydrophobicContact CG-CB 3.88Å; R263-L336 PolarHBondContact NE-O 3.25Å; R263-L336 PolarHBondContact NH2-O 3.32Å; R263-D364 IonicContact CZ-OD1 3.81Å; R263-D364 IonicContact CZ-OD2 2.73Å; R263-D364 VanDerWaalsContact CZ-OD2 3.3Å; R263-D364 IonicContact NH1-OD1 2.57Å; R263-D364 IonicContact NH1-OD2 2.79Å; R263-D364 PolarHBondContact NH1-OD2 3.25Å; R263-D364 VanDerWaalsContact NH2-CG 3.29Å; R263-D364 IonicContact NH2-OD1 2.63Å; R263-D364 PolarHBondContact NH2-OD1 3.44Å; R263-D364 IonicContact NH2-OD2 3.71Å; R263-D364 PolarHBondContact NH2-OD2 2.92Å; R263-D364 VanDerWaalsContact NH2-OD2 3.16Å; R263-T366 PolarHBondContact NH2-OG1 2.65Å; R263-F412 HydrophobicContact CG-CE2 4.04Å; R263-F412 HydrophobicContact CG-CZ 4.26Å
264I96.1Very high96.6Very high58 Ų5812.9 Ų12.930%0.2977%0.069SC..Hα-helixtrans-59.8-51.4175.5-68.8166.6000109.9D260 E261 Y266 D267 Q268 L454D260-I264 WeakPolarHBondContact O-CG1 3.35Å; D260-I264 PolarHBondContact O-N 2.76Å; E261-I264 PolarHBondContact O-N 2.7Å; I264-Y266 VanDerWaalsContact C-N 3.34Å; I264-Y266 PolarHBondContact O-N 2.82Å; I264-D267 PolarHBondContact O-N 3.4Å; I264-Q268 HydrophobicContact CG2-CG 4Å; I264-Q268 WeakPolarHBondContact O-CB 3.35Å; I264-Q268 WeakPolarHBondContact O-CG 3.41Å; I264-Q268 PolarHBondContact O-N 2.94Å; I264-L454 HydrophobicContact CG2-CD2 4.45Å
265L97.4Very high96.8Very high0 Ų012.9 Ų12.90%07%0.069CC..Hα-helixtrans-63-39.4-179.3-71.5173.5000112.5F254 A256 E261 A262 L269 V425 L454F254-L265 HydrophobicContact CD2-CD1 4.19Å; F254-L265 HydrophobicContact CE2-CB 4.36Å; F254-L265 HydrophobicContact CE2-CD1 3.93Å; A256-L265 HydrophobicContact CB-CD1 4.23Å; E261-L265 HydrophobicContact CG-CD1 3.98Å; E261-L265 HydrophobicContact CG-CG 4.31Å; E261-L265 WeakPolarHBondContact O-CB 3.35Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 3.24Å; A262-L265 PolarHBondContact O-N 3.44Å; L265-L269 VanDerWaalsContact O-CB 3.25Å; L265-L269 WeakPolarHBondContact O-CB 3.36Å; L265-L269 WeakPolarHBondContact O-CD1 3.29Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 3.02Å; L265-V425 HydrophobicContact CB-CG2 4.1Å; L265-L454 HydrophobicContact CD1-CD1 4.14Å; L265-L454 HydrophobicContact CD2-CD1 4.05Å; L265-L454 HydrophobicContact CD2-CD2 4.03Å; L265-L454 HydrophobicContact CD2-CG 3.88Å; L265-L454 HydrophobicContact CG-CD1 4.34Å; L265-L454 HydrophobicContact CG-CD2 4.25Å; L265-L454 HydrophobicContact CG-CG 4.46Å
266Y98.6Very high97Very high0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-56.7-50.6174.9178.3-86.6000110.7A262 R263 I264 A270 V332 L336 M410 F412A262-Y266 VanDerWaalsContact O-CB 3.31Å; A262-Y266 WeakPolarHBondContact O-CB 3.22Å; A262-Y266 PolarHBondContact O-N 3.34Å; R263-Y266 PolarHBondContact O-N 3.24Å; I264-Y266 VanDerWaalsContact C-N 3.34Å; I264-Y266 PolarHBondContact O-N 2.82Å; Y266-A270 WeakPolarHBondContact O-CB 3.49Å; Y266-A270 PolarHBondContact O-N 3.24Å; Y266-A270 VanDerWaalsContact O-N 3.08Å; Y266-V332 HydrophobicContact CE1-CB 4.39Å; Y266-V332 HydrophobicContact CE1-CG1 4.06Å; Y266-V332 HydrophobicContact CE2-CG1 4.19Å; Y266-V332 WeakPolarHBondContact OH-CG1 3.38Å; Y266-L336 HydrophobicContact CD1-CD1 3.68Å; Y266-L336 HydrophobicContact CD1-CG 3.68Å; Y266-L336 HydrophobicContact CD2-CD1 4.28Å; Y266-L336 HydrophobicContact CE1-CD1 3.9Å; Y266-L336 HydrophobicContact CE1-CD2 4.43Å; Y266-L336 HydrophobicContact CE1-CG 3.77Å; Y266-L336 HydrophobicContact CE2-CD1 4.46Å; Y266-L336 HydrophobicContact CG-CD1 3.87Å; Y266-L336 HydrophobicContact CG-CG 4.37Å; Y266-M410 HydrophobicContact CD2-CB 3.59Å; Y266-M410 HydrophobicContact CE2-CB 3.47Å; Y266-M410 VanDerWaalsContact CE2-CB 3.47Å; Y266-M410 WeakPolarHBondContact CE2-O 3.4Å; Y266-M410 HydrophobicContact CG-CB 4.3Å; Y266-F412 HydrophobicContact CD2-CB 3.76Å; Y266-F412 HydrophobicContact CE2-CB 3.89Å
267D98.2Very high97.2Very high0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-67.9-48.8-177-67.2-3.5000112.1R263 I264 L269 A270 Y335 L336 S337 L461R263-D267 VanDerWaalsContact O-CG 3.31Å; R263-D267 PolarHBondContact O-N 3.49Å; R263-D267 VanDerWaalsContact O-N 3.07Å; I264-D267 PolarHBondContact O-N 3.4Å; D267-L269 VanDerWaalsContact C-N 3.31Å; D267-L269 PolarHBondContact O-N 3.08Å; D267-A270 WeakPolarHBondContact O-CB 3.48Å; D267-A270 PolarHBondContact O-N 2.98Å; D267-Y335 HydrophobicContact CB-CD1 3.54Å; D267-Y335 HydrophobicContact CB-CE1 4.1Å; D267-Y335 HydrophobicContact CB-CG 4.31Å; D267-Y335 WeakPolarHBondContact O-CE1 3.37Å; D267-Y335 VanDerWaalsContact OD1-CA 3.29Å; D267-Y335 WeakPolarHBondContact OD1-CA 3.37Å; D267-L336 PolarHBondContact OD1-N 3.24Å; D267-L336 PolarHBondContact OD2-N 3.47Å; D267-S337 WeakPolarHBondContact OD2-CA 3.41Å; D267-S337 WeakPolarHBondContact OD2-CB 3.4Å; D267-S337 PolarHBondContact OD2-N 2.87Å; D267-S337 PolarHBondContact OD2-OG 3.16Å; D267-L461 HydrophobicContact CB-CD2 3.64Å
268Q97.5Very high97.5Very high1 Ų110.7 Ų10.71%0.0056%0.056CC..Hα-helixtrans-60.9-43.8-177-66-64.3-18.500110.9I264 T271 I453I264-Q268 HydrophobicContact CG2-CG 4Å; I264-Q268 WeakPolarHBondContact O-CB 3.35Å; I264-Q268 WeakPolarHBondContact O-CG 3.41Å; I264-Q268 PolarHBondContact O-N 2.94Å; Q268-T271 PolarHBondContact O-N 2.91Å; Q268-T271 PolarHBondContact O-OG1 3.44Å; Q268-I453 HydrophobicContact CB-CD1 4.07Å; Q268-I453 HydrophobicContact CB-CG2 4.08Å; Q268-I453 HydrophobicContact CG-CG2 3.89Å
269L98.5Very high97.7Very high1 Ų110 Ų101%0.0055%0.051CC..Hα-helixtrans-78.6-20.3-177.9-65.4171.8000113.6F254 L265 D267 T271 M272 C273 M410 F427 L449 I453F254-L269 HydrophobicContact CE1-CD1 4.32Å; F254-L269 HydrophobicContact CE2-CD1 3.92Å; F254-L269 HydrophobicContact CZ-CD1 3.3Å; L265-L269 VanDerWaalsContact O-CB 3.25Å; L265-L269 WeakPolarHBondContact O-CB 3.36Å; L265-L269 WeakPolarHBondContact O-CD1 3.29Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 3.02Å; D267-L269 VanDerWaalsContact C-N 3.31Å; D267-L269 PolarHBondContact O-N 3.08Å; L269-T271 PolarHBondContact O-N 3.13Å; L269-M272 WeakPolarHBondContact O-CA 3.47Å; L269-M272 WeakPolarHBondContact O-CB 3.46Å; L269-M272 PolarHBondContact O-N 2.9Å; L269-C273 PolarHBondContact O-N 2.7Å; L269-C273 VanDerWaalsContact O-N 3.15Å; L269-C273 PolarHBondContact O-SG 3.25Å; L269-C273 VanDerWaalsContact O-SG 3.42Å; L269-M410 HydrophobicContact CB-CE 3.67Å; L269-M410 HydrophobicContact CB-SD 3.96Å; L269-M410 HydrophobicContact CD1-CE 4.14Å; L269-F427 HydrophobicContact CB-CD2 4.07Å; L269-F427 HydrophobicContact CB-CE2 4.27Å; L269-L449 HydrophobicContact CD2-CD2 4.23Å; L269-L449 HydrophobicContact CD2-CG 4.32Å; L269-I453 HydrophobicContact CD2-CD1 3.85Å; L269-I453 HydrophobicContact CG-CD1 4.4Å
270A98.6Very high97.9Very high0 Ų09.4 Ų9.40%05%0.048CC..Hα-helixtrans-58.1-35.8171.600000112Y266 D267 M272 C273 V332 Y335 M410Y266-A270 WeakPolarHBondContact O-CB 3.49Å; Y266-A270 PolarHBondContact O-N 3.24Å; Y266-A270 VanDerWaalsContact O-N 3.08Å; D267-A270 WeakPolarHBondContact O-CB 3.48Å; D267-A270 PolarHBondContact O-N 2.98Å; A270-M272 PolarHBondContact O-N 3.12Å; A270-C273 WeakPolarHBondContact O-CB 3.36Å; A270-C273 PolarHBondContact O-N 2.95Å; A270-V332 HydrophobicContact CB-CG2 3.67Å; A270-Y335 HydrophobicContact CB-CE1 4.09Å; A270-M410 HydrophobicContact CB-CG 3.97Å
271T98.2Very high98.1Very high1 Ų15.5 Ų5.51%0.0063%0.027CC..THydrogen-bonded Turntrans-67.2-25.3175.370.60000113.2Q268 L269 Y335 L460 L461 I462 V467Q268-T271 PolarHBondContact O-N 2.91Å; Q268-T271 PolarHBondContact O-OG1 3.44Å; L269-T271 PolarHBondContact O-N 3.13Å; T271-Y335 VanDerWaalsContact CG2-OH 3.32Å; T271-Y335 WeakPolarHBondContact CG2-OH 3.38Å; T271-L460 WeakPolarHBondContact CG2-O 3.36Å; T271-L460 WeakPolarHBondContact OG1-CB 3.2Å; T271-L461 HydrophobicContact CG2-CD2 4.46Å; T271-I462 HydrophobicContact CG2-CG1 4.28Å; T271-V467 HydrophobicContact CG2-CG2 4.26Å
272M98.6Very high98.3Very high0 Ų04 Ų40%02%0.021CC..THydrogen-bonded Turntrans-87.3-17.9-179.9-67.4-59.3-50.100113.2L269 A270 I275 V276 F427 F445 L449 L460 F487 L573L269-M272 WeakPolarHBondContact O-CA 3.47Å; L269-M272 WeakPolarHBondContact O-CB 3.46Å; L269-M272 PolarHBondContact O-N 2.9Å; A270-M272 PolarHBondContact O-N 3.12Å; M272-I275 HydrophobicContact CE-CB 4.01Å; M272-I275 HydrophobicContact CE-CG1 4.36Å; M272-I275 HydrophobicContact CE-CG2 4.1Å; M272-I275 PolarHBondContact O-N 2.8Å; M272-I275 VanDerWaalsContact O-N 3.15Å; M272-V276 WeakPolarHBondContact O-CG2 3.36Å; M272-V276 PolarHBondContact O-N 2.53Å; M272-F427 HydrophobicContact CB-CE2 4.36Å; M272-F445 HydrophobicContact CE-CZ 4.5Å; M272-L449 HydrophobicContact CB-CD2 4.45Å; M272-L449 HydrophobicContact CE-CD2 3.96Å; M272-L449 HydrophobicContact CG-CD2 3.86Å; M272-L449 HydrophobicContact SD-CD2 4.32Å; M272-L460 HydrophobicContact CG-CD1 3.92Å; M272-L460 HydrophobicContact SD-CD1 4.05Å; M272-F487 HydrophobicContact SD-CE2 3.68Å; M272-F487 HydrophobicContact SD-CZ 4.05Å; M272-L573 HydrophobicContact CE-CD1 3.47Å; M272-L573 VanDerWaalsContact CE-CD1 3.47Å; M272-L573 HydrophobicContact SD-CD1 3.58Å; M272-L573 VanDerWaalsContact SD-CD1 3.58Å
273C98.9Very high98.4Very high0 Ų04 Ų40%02%0.021CC..Hα-helixtrans-48.4-56.4177.6-68.50000113.6L269 A270 I275 V276 M277 M410 P429 I471L269-C273 PolarHBondContact O-N 2.7Å; L269-C273 VanDerWaalsContact O-N 3.15Å; L269-C273 PolarHBondContact O-SG 3.25Å; L269-C273 VanDerWaalsContact O-SG 3.42Å; A270-C273 WeakPolarHBondContact O-CB 3.36Å; A270-C273 PolarHBondContact O-N 2.95Å; C273-I275 VanDerWaalsContact C-N 3.3Å; C273-I275 PolarHBondContact O-N 2.95Å; C273-V276 PolarHBondContact O-N 2.85Å; C273-M277 VanDerWaalsContact O-CG 3.26Å; C273-M277 WeakPolarHBondContact O-CG 3.04Å; C273-M277 PolarHBondContact O-N 3.4Å; C273-M410 VanDerWaalsContact SG-SD 3.65Å; C273-P429 HydrophobicContact CB-CB 4.48Å; C273-P429 HydrophobicContact CB-CG 3.79Å; C273-I471 HydrophobicContact CB-CD1 4.4Å
274P98.8Very high98.4Very high0 Ų03.5 Ų3.50%02%0.019CC..Hα-helixtrans-65-31.5-179.724.3-34.1000113.6M277 A278 N470 I471 A474 F485P274-M277 WeakPolarHBondContact O-CB 3.17Å; P274-M277 PolarHBondContact O-N 3.07Å; P274-A278 PolarHBondContact O-N 2.8Å; P274-A278 VanDerWaalsContact O-N 3.1Å; P274-N470 VanDerWaalsContact CB-C 3.49Å; P274-N470 HydrophobicContact CB-CB 3.61Å; P274-N470 WeakPolarHBondContact CB-O 3.48Å; P274-N470 HydrophobicContact CG-CB 3.47Å; P274-N470 VanDerWaalsContact CG-CB 3.47Å; P274-I471 HydrophobicContact CB-CD1 3.95Å; P274-I471 HydrophobicContact CB-CG1 4.22Å; P274-I471 HydrophobicContact CG-CD1 4.41Å; P274-A474 HydrophobicContact CB-CB 4.17Å; P274-A474 VanDerWaalsContact O-CB 3.28Å; P274-A474 WeakPolarHBondContact O-CB 3.33Å; P274-F485 HydrophobicContact CB-CD1 4.47Å; P274-F485 HydrophobicContact CB-CE1 4.44Å
275I98.8Very high98.6Very high0 Ų00.8 Ų0.80%01%0.006CC..Hα-helixtrans-68.6-45.6178.6-50.3-52.5000110.3M272 C273 M277 A278 L279 F485 V560 I563 I564M272-I275 HydrophobicContact CE-CB 4.01Å; M272-I275 HydrophobicContact CE-CG1 4.36Å; M272-I275 HydrophobicContact CE-CG2 4.1Å; M272-I275 PolarHBondContact O-N 2.8Å; M272-I275 VanDerWaalsContact O-N 3.15Å; C273-I275 VanDerWaalsContact C-N 3.3Å; C273-I275 PolarHBondContact O-N 2.95Å; I275-M277 VanDerWaalsContact C-N 3.33Å; I275-A278 PolarHBondContact O-N 3.37Å; I275-L279 HydrophobicContact CG2-CD1 4.17Å; I275-L279 WeakPolarHBondContact O-CG 3.38Å; I275-L279 PolarHBondContact O-N 3.24Å; I275-F485 HydrophobicContact CD1-CB 3.52Å; I275-F485 HydrophobicContact CD1-CD1 3.75Å; I275-F485 HydrophobicContact CD1-CD2 4.13Å; I275-F485 HydrophobicContact CD1-CG 3.51Å; I275-V560 HydrophobicContact CG2-CG1 4.14Å; I275-I563 HydrophobicContact CD1-CD1 3.62Å; I275-I563 HydrophobicContact CG1-CD1 4.27Å; I275-I563 HydrophobicContact CG2-CG2 4.3Å; I275-I564 HydrophobicContact CG2-CD1 4.31Å
276V98.8Very high98.6Very high1 Ų10.8 Ų0.81%0.0061%0.006CC..Hα-helixtrans-67.8-34.4176.8177.30000111.4M272 C273 L279 S280 F427 T430 F442 F445 I446M272-V276 WeakPolarHBondContact O-CG2 3.36Å; M272-V276 PolarHBondContact O-N 2.53Å; C273-V276 PolarHBondContact O-N 2.85Å; V276-L279 PolarHBondContact O-N 3.24Å; V276-S280 VanDerWaalsContact O-CB 3.27Å; V276-S280 WeakPolarHBondContact O-CB 3.26Å; V276-S280 PolarHBondContact O-N 3.31Å; V276-S280 PolarHBondContact O-OG 3.1Å; V276-F427 HydrophobicContact CB-CE1 3.9Å; V276-F427 HydrophobicContact CB-CZ 3.75Å; V276-F427 HydrophobicContact CG1-CE1 3.77Å; V276-F427 HydrophobicContact CG1-CZ 4.15Å; V276-F427 HydrophobicContact CG2-CE1 4.14Å; V276-F427 HydrophobicContact CG2-CZ 3.7Å; V276-T430 HydrophobicContact CG1-CG2 4.02Å; V276-F442 HydrophobicContact CG1-CD1 4.25Å; V276-F442 HydrophobicContact CG1-CE1 4.46Å; V276-F445 HydrophobicContact CG2-CE1 4Å; V276-I446 HydrophobicContact CG1-CD1 4.32Å
277M98.6Very high98.5Very high2 Ų22.1 Ų2.11%0.011%0.011CC..Hα-helixtrans-55.4-53.7170.7-74170.555.700111C273 P274 I275 L279 S280 A281 C295 W297 P429 I471 A474 L475C273-M277 VanDerWaalsContact O-CG 3.26Å; C273-M277 WeakPolarHBondContact O-CG 3.04Å; C273-M277 PolarHBondContact O-N 3.4Å; P274-M277 WeakPolarHBondContact O-CB 3.17Å; P274-M277 PolarHBondContact O-N 3.07Å; I275-M277 VanDerWaalsContact C-N 3.33Å; M277-L279 PolarHBondContact O-N 3.21Å; M277-S280 PolarHBondContact O-N 2.97Å; M277-S280 PolarHBondContact O-OG 2.63Å; M277-A281 PolarHBondContact O-N 3.06Å; M277-C295 PolarHBondContact O-SG 3.34Å; M277-C295 VanDerWaalsContact O-SG 3.42Å; M277-W297 HydrophobicContact CE-CB 3.41Å; M277-W297 VanDerWaalsContact CE-CB 3.41Å; M277-W297 HydrophobicContact CE-CD2 4.19Å; M277-W297 HydrophobicContact CE-CG 3.58Å; M277-W297 HydrophobicContact SD-CB 4.47Å; M277-W297 HydrophobicContact SD-CD2 4.23Å; M277-W297 HydrophobicContact SD-CE3 4.47Å; M277-W297 HydrophobicContact SD-CG 4.23Å; M277-P429 HydrophobicContact CG-CB 3.54Å; M277-P429 HydrophobicContact CG-CG 4.31Å; M277-P429 HydrophobicContact SD-CB 3.79Å; M277-I471 HydrophobicContact CE-CD1 4.34Å; M277-I471 HydrophobicContact CE-CG2 4.42Å; M277-I471 HydrophobicContact SD-CD1 3.46Å; M277-I471 WeakPolarHBondContact SD-CD1 3.04Å; M277-A474 HydrophobicContact CB-CB 3.91Å; M277-A474 HydrophobicContact CE-CB 4.14Å; M277-L475 HydrophobicContact CE-CD2 4.36Å
278A98.8Very high98.5Very high1 Ų12.1 Ų2.11%0.0081%0.011CC..Hα-helixtrans-60-43.5178.900000112.2P274 I275 S280 A281 A474 A479 V480 F485 V560P274-A278 PolarHBondContact O-N 2.8Å; P274-A278 VanDerWaalsContact O-N 3.1Å; I275-A278 PolarHBondContact O-N 3.37Å; A278-S280 VanDerWaalsContact C-N 3.33Å; A278-S280 PolarHBondContact O-N 2.76Å; A278-A281 WeakPolarHBondContact O-CB 3.19Å; A278-A474 HydrophobicContact CB-CB 4.45Å; A278-A479 HydrophobicContact CB-CB 4.42Å; A278-V480 HydrophobicContact CB-CB 4.24Å; A278-V480 WeakPolarHBondContact O-CB 3.23Å; A278-F485 HydrophobicContact CB-CE2 4.34Å; A278-F485 HydrophobicContact CB-CZ 3.82Å; A278-V560 HydrophobicContact CB-CG2 4.26Å
279L98.7Very high98.5Very high0 Ų03.9 Ų3.90%02%0.017CC..Hα-helixtrans-63.5-35177.6-76.8165000113.9I275 V276 M277 F442 V480 V560 I564 I601 R604 A605I275-L279 HydrophobicContact CG2-CD1 4.17Å; I275-L279 WeakPolarHBondContact O-CG 3.38Å; I275-L279 PolarHBondContact O-N 3.24Å; V276-L279 PolarHBondContact O-N 3.24Å; M277-L279 PolarHBondContact O-N 3.21Å; L279-F442 HydrophobicContact CB-CE1 4.03Å; L279-F442 HydrophobicContact CB-CZ 4.39Å; L279-V480 HydrophobicContact CD2-CG2 4.08Å; L279-V560 HydrophobicContact CD1-CG1 4.15Å; L279-V560 HydrophobicContact CD2-CG1 3.54Å; L279-V560 HydrophobicContact CG-CG1 3.67Å; L279-I564 HydrophobicContact CD1-CD1 3.8Å; L279-I564 HydrophobicContact CD1-CG1 3.94Å; L279-I564 HydrophobicContact CD2-CG1 4.49Å; L279-I601 HydrophobicContact CD1-CG2 4.27Å; L279-R604 HydrophobicContact CD2-CB 4.39Å; L279-A605 HydrophobicContact CD2-CB 3.84Å
280S98.9Very high98.5Very high0 Ų03.8 Ų3.80%02%0.017CC..Hα-helixtrans-94.7-14.1-173.861.80000113.9V276 M277 A278 A282 E431 Q433V276-S280 VanDerWaalsContact O-CB 3.27Å; V276-S280 WeakPolarHBondContact O-CB 3.26Å; V276-S280 PolarHBondContact O-N 3.31Å; V276-S280 PolarHBondContact O-OG 3.1Å; M277-S280 PolarHBondContact O-N 2.97Å; M277-S280 PolarHBondContact O-OG 2.63Å; A278-S280 VanDerWaalsContact C-N 3.33Å; A278-S280 PolarHBondContact O-N 2.76Å; S280-A282 PolarHBondContact O-N 3.25Å; S280-E431 VanDerWaalsContact O-CB 3.27Å; S280-E431 WeakPolarHBondContact O-CB 3.11Å; S280-E431 PolarHBondContact OG-N 3.19Å; S280-Q433 PolarHBondContact O-NE2 3.43Å
281A98.9Very high98.5Very high2 Ų23.8 Ų3.82%0.0172%0.017CC..  trans-16.8110.6175.800000115.5M277 A278 D294 T611 T612 A613M277-A281 PolarHBondContact O-N 3.06Å; A278-A281 WeakPolarHBondContact O-CB 3.19Å; A281-D294 CarbonylContact C-O 3.59Å; A281-D294 WeakPolarHBondContact CA-O 3.18Å; A281-D294 HydrophobicContact CB-CB 3.89Å; A281-T611 HydrophobicContact CB-CG2 4.12Å; A281-T611 WeakPolarHBondContact O-CB 3.46Å; A281-T612 PolarHBondContact O-N 3.48Å; A281-A613 HydrophobicContact CB-CB 4.15Å; A281-A613 WeakPolarHBondContact O-CB 3.43Å; A281-A613 PolarHBondContact O-N 3.03Å
282A98.9Very high98.6Very high4 Ų46.5 Ų6.53%0.0333%0.032CC..  trans-139.912.1-176.800000114.5S280 P284 D294 E431 L432 T612S280-A282 PolarHBondContact O-N 3.25Å; A282-P284 VanDerWaalsContact C-CD 3.49Å; A282-P284 VanDerWaalsContact O-CD 3.3Å; A282-P284 WeakPolarHBondContact O-CD 3.47Å; A282-D294 PolarHBondContact N-O 3.1Å; A282-D294 VanDerWaalsContact N-O 3.15Å; A282-E431 HydrophobicContact CB-CB 3.86Å; A282-E431 PolarHBondContact N-OE2 2.85Å; A282-L432 WeakPolarHBondContact CB-O 3.36Å; A282-T612 HydrophobicContact CB-CG2 4.03Å
283T98.8Very high98.5Very high1 Ų19 Ų91%0.0064%0.041CC..  trans-121.475.3-176-55.60000111.9S143 A144 L291 D294 R296 I299 E431S143-T283 VanDerWaalsContact CB-OG1 3.31Å; S143-T283 WeakPolarHBondContact CB-OG1 3.31Å; A144-T283 HydrophobicContact CB-CG2 3.6Å; T283-L291 HydrophobicContact CG2-CD1 4.3Å; T283-D294 PolarHBondContact N-O 3.35Å; T283-D294 CarbonylContact O-C 3.58Å; T283-D294 WeakPolarHBondContact O-CA 3.37Å; T283-R296 HydrophobicContact CG2-CB 4.18Å; T283-I299 HydrophobicContact CG2-CD1 4.3Å; T283-E431 VanDerWaalsContact CB-OE2 3.32Å; T283-E431 WeakPolarHBondContact CB-OE2 3.22Å; T283-E431 PolarHBondContact N-OE2 3.11Å; T283-E431 VanDerWaalsContact N-OE2 3.07Å; T283-E431 PolarHBondContact OG1-OE2 2.93Å
284P98.7Very high98.5Very high2 Ų29.1 Ų9.11%0.0134%0.042CC..  trans-90.4-7.5-178.936.6-35.7000113.9A282 L291 A613 M616 R617A282-P284 VanDerWaalsContact C-CD 3.49Å; A282-P284 VanDerWaalsContact O-CD 3.3Å; A282-P284 WeakPolarHBondContact O-CD 3.47Å; P284-L291 PolarHBondContact O-N 2.77Å; P284-A613 HydrophobicContact CB-CB 4.06Å; P284-A613 WeakPolarHBondContact CB-O 3.43Å; P284-A613 HydrophobicContact CG-CB 4.29Å; P284-M616 HydrophobicContact CG-CB 3.99Å; P284-M616 HydrophobicContact CG-CG 4.02Å; P284-M616 HydrophobicContact CG-SD 3.73Å; P284-R617 VanDerWaalsContact CA-NH2 3.35Å; P284-R617 HydrophobicContact CB-CB 4.19Å; P284-R617 VanDerWaalsContact CB-NH2 3.3Å; P284-R617 PolarHBondContact O-NH1 3.41Å
285A98.7Very high98.5Very high1 Ų19.2 Ų9.21%0.0084%0.042CC..EExtended strand (participates in β ladder)trans-149.1143.3-169.900000112P146 Y289 L290 I632P146-A285 HydrophobicContact CB-CB 3.85Å; P146-A285 HydrophobicContact CG-CB 4.5Å; A285-Y289 VanDerWaalsContact CA-O 3.23Å; A285-Y289 WeakPolarHBondContact CA-O 3.43Å; A285-L290 HydrophobicContact CB-CD2 4.42Å; A285-I632 HydrophobicContact CB-CD1 3.37Å
286I98.2Very high98.5Very high0 Ų09.4 Ų9.40%04%0.043CC..EExtended strand (participates in β ladder)trans-157.5158.8168.8-157.5166.8000109.1P146 L148 L238 F243 G288 Y289 L291 I299P146-I286 CarbonylContact O-C 3.6Å; P146-I286 VanDerWaalsContact O-CA 3.28Å; P146-I286 WeakPolarHBondContact O-CA 3.45Å; L148-I286 HydrophobicContact CB-CG1 4.22Å; L148-I286 HydrophobicContact CD2-CD1 4.38Å; L238-I286 HydrophobicContact CD1-CD1 4Å; L238-I286 HydrophobicContact CD1-CG2 4.05Å; L238-I286 HydrophobicContact CD2-CG2 4.21Å; F243-I286 HydrophobicContact CD1-CD1 4.1Å; F243-I286 HydrophobicContact CD1-CG1 4.39Å; I286-G288 PolarHBondContact O-N 2.89Å; I286-Y289 PolarHBondContact N-O 2.94Å; I286-Y289 VanDerWaalsContact N-O 3.11Å; I286-Y289 PolarHBondContact O-N 3.35Å; I286-L291 HydrophobicContact CB-CD1 4.31Å; I286-L291 HydrophobicContact CG2-CD1 4Å; I286-L291 HydrophobicContact CG2-CD2 3.64Å; I286-L291 HydrophobicContact CG2-CG 4.32Å; I286-I299 HydrophobicContact CD1-CD1 3.96Å; I286-I299 HydrophobicContact CD1-CG2 4.27Å; I286-I299 HydrophobicContact CG2-CD1 4.33Å
287R96.7Very high98.5Very high28 Ų289.7 Ų9.711%0.1064%0.044CC..THydrogen-bonded Turntrans55.821.9178.2-113.9-73.5-74.3131-18.6114.5P146 L148 C150 E217 I236 L238 F243 Y289P146-R287 PolarHBondContact O-N 2.92Å; L148-R287 VanDerWaalsContact O-CA 3.24Å; L148-R287 WeakPolarHBondContact O-CA 3.3Å; L148-R287 PolarHBondContact O-N 3.11Å; C150-R287 PolarHBondContact SG-O 3.37Å; E217-R287 IonicContact OE1-CZ 3.9Å; E217-R287 IonicContact OE1-NE 3.67Å; E217-R287 PolarHBondContact OE1-NE 2.89Å; E217-R287 IonicContact OE1-NH2 3.02Å; E217-R287 PolarHBondContact OE1-NH2 3.19Å; I236-R287 HydrophobicContact CG2-CB 3.75Å; I236-R287 HydrophobicContact CG2-CG 4.45Å; L238-R287 HydrophobicContact CD2-CB 3.74Å; L238-R287 HydrophobicContact CD2-CG 3.44Å; L238-R287 VanDerWaalsContact CD2-CG 3.44Å; F243-R287 HydrophobicContact CE1-CG 3.78Å; F243-R287 HydrophobicContact CZ-CG 4.07Å; R287-Y289 WeakPolarHBondContact O-CD2 3.32Å
288G97.7Very high98.4Very high0 Ų010.1 Ų10.10%05%0.049CC..THydrogen-bonded Turntrans76.722.7-178.100000113.6P146 C150 I286 Y631 I632P146-G288 PolarHBondContact O-N 3.26Å; C150-G288 PolarHBondContact SG-N 3.29Å; I286-G288 PolarHBondContact O-N 2.89Å; G288-Y631 WeakPolarHBondContact O-CD2 3.44Å; G288-I632 PolarHBondContact O-N 3.49Å
289Y98.4Very high98.4Very high37 Ų3710.1 Ų10.115%0.1455%0.049CC..EExtended strand (participates in β ladder)trans-131.1147.5175.9-63.1-76.1000112.2I205 F215 I236 A285 I286 R287 S630 Y631I205-Y289 HydrophobicContact CD1-CD1 4.11Å; I205-Y289 HydrophobicContact CD1-CG 4.46Å; F215-Y289 HydrophobicContact CE2-CD1 4.47Å; F215-Y289 AromaticContact CE2-CE1 3.89Å; F215-Y289 HydrophobicContact CE2-CE1 3.89Å; F215-Y289 HydrophobicContact CZ-CE1 4.11Å; F215-Y289 HydrophobicContact CZ-CE2 4.14Å; F215-Y289 AromaticContact CZ-CZ 3.87Å; I236-Y289 HydrophobicContact CD1-CG 4.28Å; I236-Y289 HydrophobicContact CG1-CD2 3.94Å; I236-Y289 HydrophobicContact CG1-CG 4.06Å; I236-Y289 HydrophobicContact CG2-CD2 4.05Å; A285-Y289 VanDerWaalsContact CA-O 3.23Å; A285-Y289 WeakPolarHBondContact CA-O 3.43Å; I286-Y289 PolarHBondContact N-O 2.94Å; I286-Y289 VanDerWaalsContact N-O 3.11Å; I286-Y289 PolarHBondContact O-N 3.35Å; R287-Y289 WeakPolarHBondContact O-CD2 3.32Å; Y289-S630 CarbonylContact C-O 3.58Å; Y289-S630 WeakPolarHBondContact CA-O 3.16Å; Y289-Y631 HydrophobicContact CD1-CD2 4.29Å; Y289-Y631 AromaticContact CE1-CD2 3.82Å; Y289-Y631 HydrophobicContact CE1-CD2 3.82Å
290L98.8Very high98.4Very high0 Ų010.5 Ų10.50%05%0.051CC..EExtended strand (participates in β ladder)trans-70.5135.9165.3-73.6177.6000110.4Y206 A285 R617 I620 M621 Y626 S630 I632Y206-L290 WeakPolarHBondContact CB-O 3.12Å; Y206-L290 HydrophobicContact CD1-CB 4.09Å; Y206-L290 HydrophobicContact CD1-CD1 3.89Å; Y206-L290 HydrophobicContact CE1-CD1 4.37Å; Y206-L290 HydrophobicContact CG-CB 4.19Å; Y206-L290 PolarHBondContact N-O 3.36Å; A285-L290 HydrophobicContact CB-CD2 4.42Å; L290-R617 HydrophobicContact CD1-CG 4.42Å; L290-R617 HydrophobicContact CD2-CG 4.16Å; L290-I620 HydrophobicContact CD1-CG2 4Å; L290-I620 HydrophobicContact CD2-CB 4.38Å; L290-I620 HydrophobicContact CD2-CD1 3.75Å; L290-I620 HydrophobicContact CD2-CG2 4.1Å; L290-I620 HydrophobicContact CG-CG2 4.15Å; L290-M621 HydrophobicContact CD1-CG 4.02Å; L290-Y626 HydrophobicContact CD1-CE2 4.26Å; L290-Y626 WeakPolarHBondContact CD1-OH 3.35Å; L290-S630 PolarHBondContact N-O 3.01Å; L290-I632 HydrophobicContact CD2-CD1 4.22Å; L290-I632 HydrophobicContact CG-CD1 4.36Å
291L98.6Very high98.4Very high0 Ų011.8 Ų11.80%06%0.06CC..BIsolated β-bridgetrans-96.8150.5179.3-49.8175.1000110.6V203 I236 T283 P284 I286 W293 I299 R617V203-L291 HydrophobicContact CB-CD2 4.15Å; V203-L291 HydrophobicContact CG1-CB 4.25Å; V203-L291 HydrophobicContact CG1-CD1 4.04Å; V203-L291 HydrophobicContact CG1-CD2 3.58Å; V203-L291 HydrophobicContact CG1-CG 4.14Å; I236-L291 HydrophobicContact CD1-CD2 3.32Å; T283-L291 HydrophobicContact CG2-CD1 4.3Å; P284-L291 PolarHBondContact O-N 2.77Å; I286-L291 HydrophobicContact CB-CD1 4.31Å; I286-L291 HydrophobicContact CG2-CD1 4Å; I286-L291 HydrophobicContact CG2-CD2 3.64Å; I286-L291 HydrophobicContact CG2-CG 4.32Å; L291-W293 HydrophobicContact CB-CB 4.41Å; L291-W293 PolarHBondContact O-N 3.4Å; L291-I299 HydrophobicContact CD1-CD1 4.16Å; L291-R617 PolarHBondContact O-NH1 2.9Å; L291-R617 PolarHBondContact O-NH2 3.17Å
292D98.4Very high98.4Very high58 Ų5812.9 Ų12.931%0.317%0.069SC..SBendtrans-86.417163.6-151.433000112P204 R477P204-D292 HydrophobicContact CB-CB 4.09Å; P204-D292 PolarHBondContact O-N 2.61Å; D292-R477 WeakPolarHBondContact O-CB 3.44Å; D292-R477 PolarHBondContact O-N 3.46Å; D292-R477 IonicContact OD1-CZ 3.39Å; D292-R477 IonicContact OD1-NE 2.94Å; D292-R477 PolarHBondContact OD1-NE 3.1Å; D292-R477 IonicContact OD1-NH2 3Å; D292-R477 PolarHBondContact OD1-NH2 2.9Å
293W98.4Very high98.4Very high52 Ų5212.7 Ų12.720%0.1977%0.067CC..BIsolated β-bridgetrans-114.8158.1166.3-72.7-5.4000110.7V203 P204 L291 I299 L475 R617V203-W293 HydrophobicContact CG1-CD2 4.13Å; V203-W293 HydrophobicContact CG1-CE3 3.72Å; V203-W293 HydrophobicContact CG1-CZ3 4.19Å; P204-W293 HydrophobicContact CG-CZ2 4.25Å; L291-W293 HydrophobicContact CB-CB 4.41Å; L291-W293 PolarHBondContact O-N 3.4Å; W293-I299 HydrophobicContact CE3-CG1 4.48Å; W293-I299 HydrophobicContact CZ3-CG1 4.43Å; W293-L475 CarbonylContact C-O 3.27Å; W293-L475 WeakPolarHBondContact CA-O 3.2Å; W293-L475 VanDerWaalsContact CB-O 3.31Å; W293-L475 WeakPolarHBondContact CB-O 3.47Å; W293-L475 HydrophobicContact CD2-CB 4.2Å; W293-L475 HydrophobicContact CE3-CD2 4.49Å; W293-L475 HydrophobicContact CG-CB 4.22Å; W293-L475 HydrophobicContact CH2-CD1 4.22Å; W293-L475 HydrophobicContact CZ2-CD1 4.04Å; W293-R617 PolarHBondContact O-NH2 2.79Å
294D98.8Very high98.3Very high3 Ų312.6 Ų12.62%0.0167%0.067CC..  trans-120.5-2.5178.6-83.1-5.6000113.7A281 A282 T283 L475 D478 A613 R617A281-D294 CarbonylContact C-O 3.59Å; A281-D294 WeakPolarHBondContact CA-O 3.18Å; A281-D294 HydrophobicContact CB-CB 3.89Å; A282-D294 PolarHBondContact N-O 3.1Å; A282-D294 VanDerWaalsContact N-O 3.15Å; T283-D294 PolarHBondContact N-O 3.35Å; T283-D294 CarbonylContact O-C 3.58Å; T283-D294 WeakPolarHBondContact O-CA 3.37Å; D294-L475 PolarHBondContact N-O 2.04Å; D294-D478 PolarHBondContact OD2-N 3.04Å; D294-A613 HydrophobicContact CB-CB 3.84Å; D294-R617 IonicContact OD1-CZ 3.59Å; D294-R617 IonicContact OD1-NE 3.47Å; D294-R617 IonicContact OD1-NH2 3.47Å; D294-R617 PolarHBondContact OD1-NH2 3.42Å
295C98.7Very high98.3Very high1 Ų113 Ų131%0.0077%0.069CC..  trans-129.7147.3-177.5-60.10000112.3M277 W297 L475M277-C295 PolarHBondContact O-SG 3.34Å; M277-C295 VanDerWaalsContact O-SG 3.42Å; C295-W297 VanDerWaalsContact C-N 3.3Å; C295-W297 PolarHBondContact O-N 2.97Å; C295-L475 HydrophobicContact CB-CD2 4.17Å
296R98.4Very high98.3Very high4 Ų413 Ų132%0.0157%0.069CC..SBendtrans-72.8-17.8179.878.6-160.2-176.1-74.3-5.2114.4C247 S248 T283 G298 I299 I300 R428 P429 T430 E431C247-R296 HydrophobicContact CB-CB 4.19Å; C247-R296 HydrophobicContact CB-CG 4.45Å; S248-R296 WeakPolarHBondContact O-CD 3.26Å; S248-R296 PolarHBondContact O-NE 3.29Å; T283-R296 HydrophobicContact CG2-CB 4.18Å; R296-G298 VanDerWaalsContact C-N 3.32Å; R296-G298 PolarHBondContact O-N 2.96Å; R296-G298 VanDerWaalsContact O-N 3.16Å; R296-I299 WeakPolarHBondContact O-CA 3.33Å; R296-I299 VanDerWaalsContact O-CB 3.27Å; R296-I299 WeakPolarHBondContact O-CB 3.45Å; R296-I299 PolarHBondContact O-N 3.41Å; R296-I300 HydrophobicContact CB-CD1 4.37Å; R296-I300 HydrophobicContact CB-CG1 4.32Å; R296-I300 HydrophobicContact CG-CD1 3.57Å; R296-I300 HydrophobicContact CG-CG1 3.93Å; R296-I300 PolarHBondContact O-N 3.33Å; R296-R428 PolarHBondContact NH2-O 2.94Å; R296-P429 PolarHBondContact NH1-O 2.84Å; R296-P429 VanDerWaalsContact NH1-O 3.09Å; R296-T430 PolarHBondContact NH1-O 2.83Å; R296-T430 PolarHBondContact NH2-O 3.16Å; R296-E431 WeakPolarHBondContact CB-OE1 3.3Å; R296-E431 VanDerWaalsContact CD-OE1 3.25Å; R296-E431 WeakPolarHBondContact CD-OE1 3.34Å; R296-E431 WeakPolarHBondContact CG-OE1 3.17Å; R296-E431 IonicContact CZ-OE1 3.71Å; R296-E431 PolarHBondContact N-OE1 2.83Å; R296-E431 IonicContact NE-OE1 3.88Å; R296-E431 IonicContact NH1-OE1 2.73Å; R296-E431 PolarHBondContact NH1-OE1 2.86Å
297W98.4Very high98.3Very high7 Ų714.8 Ų14.83%0.0278%0.075CC..Hα-helixtrans-53.2-43.8-164.8-174.5-92.6000114.2M277 C295 I299 I300 S301 F329 A330 S409 P429 L475M277-W297 HydrophobicContact CE-CB 3.41Å; M277-W297 VanDerWaalsContact CE-CB 3.41Å; M277-W297 HydrophobicContact CE-CD2 4.19Å; M277-W297 HydrophobicContact CE-CG 3.58Å; M277-W297 HydrophobicContact SD-CB 4.47Å; M277-W297 HydrophobicContact SD-CD2 4.23Å; M277-W297 HydrophobicContact SD-CE3 4.47Å; M277-W297 HydrophobicContact SD-CG 4.23Å; C295-W297 VanDerWaalsContact C-N 3.3Å; C295-W297 PolarHBondContact O-N 2.97Å; W297-I299 VanDerWaalsContact C-N 3.32Å; W297-I299 PolarHBondContact O-N 3.34Å; W297-I300 PolarHBondContact O-N 3.46Å; W297-S301 VanDerWaalsContact O-CB 3.29Å; W297-S301 WeakPolarHBondContact O-CB 3.46Å; W297-S301 PolarHBondContact O-N 2.78Å; W297-F329 AromaticContact CD2-CE1 3.87Å; W297-F329 HydrophobicContact CD2-CE1 3.87Å; W297-F329 AromaticContact CE2-CE1 3.94Å; W297-F329 AromaticContact CE3-CE1 3.75Å; W297-F329 HydrophobicContact CE3-CE1 3.75Å; W297-F329 HydrophobicContact CE3-CZ 4.1Å; W297-F329 HydrophobicContact CH2-CD1 4.47Å; W297-F329 AromaticContact CH2-CE1 3.69Å; W297-F329 HydrophobicContact CH2-CE1 3.69Å; W297-F329 HydrophobicContact CH2-CZ 4.12Å; W297-F329 HydrophobicContact CZ2-CD1 4.4Å; W297-F329 AromaticContact CZ2-CE1 3.89Å; W297-F329 HydrophobicContact CZ2-CE1 3.89Å; W297-F329 AromaticContact CZ3-CE1 3.66Å; W297-F329 HydrophobicContact CZ3-CE1 3.66Å; W297-F329 AromaticContact CZ3-CZ 3.8Å; W297-F329 HydrophobicContact CZ3-CZ 3.8Å; W297-A330 WeakPolarHBondContact CZ2-O 3.38Å; W297-S409 VanDerWaalsContact CH2-CA 3.42Å; W297-P429 HydrophobicContact CE3-CB 4.08Å; W297-P429 HydrophobicContact CZ3-CB 3.93Å; W297-L475 HydrophobicContact CB-CD2 3.91Å
298G97.5Very high98.4Very high12 Ų1214.3 Ų14.312%0.1248%0.076CC..Hα-helixtrans-66.9-33.2177.700000112.9R296 A302R296-G298 VanDerWaalsContact C-N 3.32Å; R296-G298 PolarHBondContact O-N 2.96Å; R296-G298 VanDerWaalsContact O-N 3.16Å; G298-A302 WeakPolarHBondContact O-CB 3.23Å; G298-A302 PolarHBondContact O-N 3.34Å
299I98.6Very high98.4Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-67.1-50.3176-54.1179.5000109.7I201 V203 L238 F243 T283 I286 L291 W293 R296 W297 A302 S303I201-I299 HydrophobicContact CG2-CG2 4.2Å; V203-I299 HydrophobicContact CG2-CD1 4.15Å; V203-I299 HydrophobicContact CG2-CG1 3.8Å; L238-I299 HydrophobicContact CD1-CG2 3.91Å; F243-I299 HydrophobicContact CB-CG2 4.4Å; F243-I299 WeakPolarHBondContact O-CG2 3.27Å; T283-I299 HydrophobicContact CG2-CD1 4.3Å; I286-I299 HydrophobicContact CD1-CD1 3.96Å; I286-I299 HydrophobicContact CD1-CG2 4.27Å; I286-I299 HydrophobicContact CG2-CD1 4.33Å; L291-I299 HydrophobicContact CD1-CD1 4.16Å; W293-I299 HydrophobicContact CE3-CG1 4.48Å; W293-I299 HydrophobicContact CZ3-CG1 4.43Å; R296-I299 WeakPolarHBondContact O-CA 3.33Å; R296-I299 VanDerWaalsContact O-CB 3.27Å; R296-I299 WeakPolarHBondContact O-CB 3.45Å; R296-I299 PolarHBondContact O-N 3.41Å; W297-I299 VanDerWaalsContact C-N 3.32Å; W297-I299 PolarHBondContact O-N 3.34Å; I299-A302 PolarHBondContact O-N 3.35Å; I299-S303 WeakPolarHBondContact O-CB 3.38Å; I299-S303 PolarHBondContact O-N 2.92Å
300I98.5Very high98.3Very high9 Ų916.8 Ų16.85%0.0469%0.088CC..Hα-helixtrans-65.6-42.2180-45.3-168.4000111.6G244 M245 C247 R296 W297 A302 S303 V304 F329G244-I300 WeakPolarHBondContact O-CD1 3.43Å; G244-I300 WeakPolarHBondContact O-CG1 3.49Å; M245-I300 HydrophobicContact CE-CG2 4.37Å; M245-I300 HydrophobicContact CG-CG2 4.42Å; M245-I300 HydrophobicContact SD-CG2 4.19Å; C247-I300 HydrophobicContact CB-CD1 4.18Å; R296-I300 HydrophobicContact CB-CD1 4.37Å; R296-I300 HydrophobicContact CB-CG1 4.32Å; R296-I300 HydrophobicContact CG-CD1 3.57Å; R296-I300 HydrophobicContact CG-CG1 3.93Å; R296-I300 PolarHBondContact O-N 3.33Å; W297-I300 PolarHBondContact O-N 3.46Å; I300-A302 VanDerWaalsContact C-N 3.26Å; I300-A302 PolarHBondContact O-N 3.07Å; I300-S303 PolarHBondContact O-N 2.89Å; I300-S303 VanDerWaalsContact O-N 3.1Å; I300-S303 PolarHBondContact O-OG 3.35Å; I300-S303 VanDerWaalsContact O-OG 3.1Å; I300-V304 PolarHBondContact O-N 3.19Å; I300-F329 HydrophobicContact CB-CD1 4.37Å; I300-F329 HydrophobicContact CB-CD2 4.43Å; I300-F329 HydrophobicContact CB-CE1 3.96Å; I300-F329 HydrophobicContact CB-CE2 4.05Å; I300-F329 HydrophobicContact CB-CZ 3.81Å; I300-F329 HydrophobicContact CD1-CZ 4.35Å; I300-F329 HydrophobicContact CG2-CD1 4.29Å; I300-F329 HydrophobicContact CG2-CD2 3.53Å; I300-F329 HydrophobicContact CG2-CE1 4.07Å; I300-F329 HydrophobicContact CG2-CE2 3.28Å; I300-F329 HydrophobicContact CG2-CG 4.07Å; I300-F329 HydrophobicContact CG2-CZ 3.58Å
301S98.6Very high98.3Very high26 Ų2617 Ų1718%0.1829%0.09CC..Hα-helixtrans-54.6-45.2177.7-176.10000112W297 S327 F329W297-S301 VanDerWaalsContact O-CB 3.29Å; W297-S301 WeakPolarHBondContact O-CB 3.46Å; W297-S301 PolarHBondContact O-N 2.78Å; S301-S327 WeakPolarHBondContact O-CB 3.42Å; S301-S327 PolarHBondContact O-OG 3.04Å; S301-F329 WeakPolarHBondContact CA-O 3.47Å; S301-F329 WeakPolarHBondContact CB-O 3.07Å; S301-F329 PolarHBondContact OG-O 3.33Å
302A98.4Very high98.3Very high25 Ų2520.4 Ų20.421%0.20710%0.102CC..Hα-helixtrans-76.1-28.3178.700000113.3I201 G298 I299 I300 V304 D305I201-A302 HydrophobicContact CB-CB 4.12Å; I201-A302 HydrophobicContact CG1-CB 3.76Å; I201-A302 HydrophobicContact CG2-CB 3.87Å; G298-A302 WeakPolarHBondContact O-CB 3.23Å; G298-A302 PolarHBondContact O-N 3.34Å; I299-A302 PolarHBondContact O-N 3.35Å; I300-A302 VanDerWaalsContact C-N 3.26Å; I300-A302 PolarHBondContact O-N 3.07Å; A302-V304 PolarHBondContact O-N 3.3Å; A302-D305 PolarHBondContact O-N 3.47Å
303S98.5Very high98.2Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-71.7-16.3-176.385.40000114.4M241 G244 I299 I300M241-S303 VanDerWaalsContact CA-O 3.28Å; M241-S303 WeakPolarHBondContact CA-O 3.14Å; M241-S303 PolarHBondContact O-OG 2.86Å; G244-S303 WeakPolarHBondContact CA-OG 3.35Å; I299-S303 WeakPolarHBondContact O-CB 3.38Å; I299-S303 PolarHBondContact O-N 2.92Å; I300-S303 PolarHBondContact O-N 2.89Å; I300-S303 VanDerWaalsContact O-N 3.1Å; I300-S303 PolarHBondContact O-OG 3.35Å; I300-S303 VanDerWaalsContact O-OG 3.1Å
304V98.4Very high98.1Very high0 Ų022.4 Ų22.40%013%0.127CC..THydrogen-bonded Turntrans-125.520.3176.1-61.60000112.7I191 M241 M245 I300 A302 D306 F329 W407I191-V304 HydrophobicContact CD1-CB 3.95Å; I191-V304 HydrophobicContact CD1-CG1 4.08Å; M241-V304 HydrophobicContact CE-CG1 3.71Å; M241-V304 HydrophobicContact CG-CG1 3.77Å; M241-V304 HydrophobicContact SD-CG1 3.98Å; M245-V304 HydrophobicContact CE-CB 4.49Å; M245-V304 HydrophobicContact CE-CG1 3.66Å; M245-V304 HydrophobicContact CE-CG2 4.16Å; M245-V304 HydrophobicContact CG-CG1 3.85Å; I300-V304 PolarHBondContact O-N 3.19Å; A302-V304 PolarHBondContact O-N 3.3Å; V304-D306 PolarHBondContact O-N 2.92Å; V304-F329 HydrophobicContact CG2-CB 3.33Å; V304-F329 HydrophobicContact CG2-CD2 4.29Å; V304-F329 HydrophobicContact CG2-CG 4.16Å; V304-W407 HydrophobicContact CB-CZ3 4.03Å; V304-W407 HydrophobicContact CG1-CZ3 4.43Å; V304-W407 HydrophobicContact CG2-CE3 3.89Å; V304-W407 HydrophobicContact CG2-CZ3 3.91Å
305D98.5Very high98Very high11 Ų1127.6 Ų27.66%0.05915%0.149CC..  trans-72.798.3174.6-175.417.3000109.7R195 A302 R307R195-D305 WeakPolarHBondContact CD-O 3.3Å; R195-D305 IonicContact CZ-OD2 3.94Å; R195-D305 PolarHBondContact NH1-O 2.91Å; R195-D305 IonicContact NH1-OD1 2.7Å; R195-D305 IonicContact NH1-OD2 3.38Å; R195-D305 PolarHBondContact NH1-OD2 3.41Å; R195-D305 IonicContact NH2-OD2 3.43Å; A302-D305 PolarHBondContact O-N 3.47Å; D305-R307 VanDerWaalsContact C-N 3.3Å; D305-R307 WeakPolarHBondContact OD1-CB 3.49Å; D305-R307 VanDerWaalsContact OD1-CG 3.26Å; D305-R307 WeakPolarHBondContact OD1-CG 3.29Å; D305-R307 IonicContact OD1-CZ 2.79Å; D305-R307 PolarHBondContact OD1-N 3.16Å; D305-R307 IonicContact OD1-NE 2.76Å; D305-R307 PolarHBondContact OD1-NE 2.9Å; D305-R307 IonicContact OD1-NH2 3.56Å; D305-R307 IonicContact OD2-CZ 3.24Å; D305-R307 IonicContact OD2-NE 2.65Å; D305-R307 PolarHBondContact OD2-NE 2.96Å; D305-R307 IonicContact OD2-NH2 2.88Å; D305-R307 PolarHBondContact OD2-NH2 3.35Å
306D98.3Very high97.9Very high0 Ų032.3 Ų32.30%018%0.18CC..  trans-87.72.7-179.666.6-21.1000113.5I191 R194 V304 T308 R328I191-D306 HydrophobicContact CB-CB 4.33Å; I191-D306 HydrophobicContact CG1-CB 4.19Å; I191-D306 HydrophobicContact CG2-CB 3.94Å; R194-D306 WeakPolarHBondContact CD-OD2 3.38Å; R194-D306 IonicContact CZ-OD2 3.56Å; R194-D306 IonicContact NE-OD2 2.72Å; R194-D306 PolarHBondContact NH1-O 3.5Å; R194-D306 IonicContact NH1-OD1 3.83Å; R194-D306 IonicContact NH1-OD2 3.25Å; V304-D306 PolarHBondContact O-N 2.92Å; D306-T308 PolarHBondContact O-N 3.42Å; D306-R328 IonicContact OD2-CZ 3.21Å; D306-R328 IonicContact OD2-NH1 2.7Å; D306-R328 PolarHBondContact OD2-NH1 3.08Å
307R98.4Very high97.9Very high37 Ų3735.8 Ų35.814%0.1420%0.198CC..  trans-62.9130-176.1-68.6178.5-63.41674.6112.5R195 D305 E311 R312 I324 P325 K326R195-R307 WeakPolarHBondContact CG-O 3.3Å; R195-R307 PolarHBondContact NH1-O 2.92Å; D305-R307 VanDerWaalsContact C-N 3.3Å; D305-R307 WeakPolarHBondContact OD1-CB 3.49Å; D305-R307 VanDerWaalsContact OD1-CG 3.26Å; D305-R307 WeakPolarHBondContact OD1-CG 3.29Å; D305-R307 IonicContact OD1-CZ 2.79Å; D305-R307 PolarHBondContact OD1-N 3.16Å; D305-R307 IonicContact OD1-NE 2.76Å; D305-R307 PolarHBondContact OD1-NE 2.9Å; D305-R307 IonicContact OD1-NH2 3.56Å; D305-R307 IonicContact OD2-CZ 3.24Å; D305-R307 IonicContact OD2-NE 2.65Å; D305-R307 PolarHBondContact OD2-NE 2.96Å; D305-R307 IonicContact OD2-NH2 2.88Å; D305-R307 PolarHBondContact OD2-NH2 3.35Å; R307-E311 WeakPolarHBondContact CA-OE2 3.43Å; R307-E311 HydrophobicContact CB-CB 3.97Å; R307-E311 HydrophobicContact CG-CB 4.24Å; R307-R312 HydrophobicContact CB-CG 3.76Å; R307-R312 PolarHBondContact O-NE 3.37Å; R307-I324 VanDerWaalsContact CD-O 3.24Å; R307-I324 WeakPolarHBondContact CD-O 3.35Å; R307-I324 PolarHBondContact NH1-O 3.41Å; R307-P325 VanDerWaalsContact NH1-C 3.27Å; R307-P325 PolarHBondContact NH1-O 3.33Å; R307-K326 WeakPolarHBondContact CD-O 3.47Å
308T97.9Very high97.8Very high19 Ų1940.2 Ų40.212%0.11723%0.229CC..  trans-64.8177.3172.571.70000111.4D306 E310 E311 R312 D320D306-T308 PolarHBondContact O-N 3.42Å; T308-E310 VanDerWaalsContact C-N 3.31Å; T308-E310 PolarHBondContact OG1-N 3.37Å; T308-E311 PolarHBondContact N-OE2 3.35Å; T308-E311 WeakPolarHBondContact OG1-CG 3.23Å; T308-E311 PolarHBondContact OG1-N 3.4Å; T308-R312 WeakPolarHBondContact O-CB 2.93Å; T308-R312 WeakPolarHBondContact O-CG 3.28Å; T308-R312 PolarHBondContact O-N 3.19Å; T308-R312 VanDerWaalsContact O-N 3.12Å; T308-R312 PolarHBondContact O-NE 2.88Å; T308-R312 VanDerWaalsContact O-NE 3.16Å; T308-D320 WeakPolarHBondContact CB-OD2 3.48Å; T308-D320 WeakPolarHBondContact CG2-OD2 3.49Å; T308-D320 PolarHBondContact OG1-OD2 3.28Å
309E97.1Very high97.5Very high68 Ų6846 Ų4632%0.31826%0.257SS..THydrogen-bonded Turntrans-67.5-30.9170.5-69.5-177.9150.200112.8G313 I314 K315E309-G313 PolarHBondContact O-N 3.46Å; E309-I314 HydrophobicContact CB-CB 4.28Å; E309-I314 WeakPolarHBondContact O-CB 3.48Å; E309-I314 PolarHBondContact O-N 2.89Å; E309-K315 HydrophobicContact CB-CB 4.43Å; E309-K315 HydrophobicContact CB-CD 4.06Å; E309-K315 HydrophobicContact CB-CG 4.22Å; E309-K315 PolarHBondContact O-N 3.16Å; E309-K315 VanDerWaalsContact O-N 3.15Å; E309-K315 WeakPolarHBondContact OE2-CD 3.32Å; E309-K315 WeakPolarHBondContact OE2-CE 3.4Å; E309-K315 IonicContact OE2-NZ 2.78Å; E309-K315 PolarHBondContact OE2-NZ 3.1Å
310E98.1Very high97.4Very high20 Ų2047.6 Ų47.69%0.09327%0.266CS..THydrogen-bonded Turntrans-71.5-45.5176.2-49.9-176.9-171.600110.4T308 R312 G313 K315 P316 L317 C318 N319 D320T308-E310 VanDerWaalsContact C-N 3.31Å; T308-E310 PolarHBondContact OG1-N 3.37Å; E310-R312 PolarHBondContact O-N 2.98Å; E310-G313 WeakPolarHBondContact O-CA 3.29Å; E310-G313 PolarHBondContact O-N 3.37Å; E310-K315 WeakPolarHBondContact CA-O 3.43Å; E310-K315 HydrophobicContact CG-CB 4.09Å; E310-P316 WeakPolarHBondContact CG-O 3.4Å; E310-L317 HydrophobicContact CB-CD2 4.03Å; E310-L317 WeakPolarHBondContact OE2-CA 3.43Å; E310-C318 PolarHBondContact OE2-N 2.78Å; E310-N319 PolarHBondContact OE1-N 3.23Å; E310-N319 PolarHBondContact OE1-ND2 3.29Å; E310-N319 PolarHBondContact OE2-N 2.75Å; E310-D320 HydrophobicContact CB-CB 4.23Å; E310-D320 WeakPolarHBondContact CB-OD2 3.21Å; E310-D320 PolarHBondContact OE2-N 3.05Å
311E98.3Very high97.2Very high6 Ų653.6 Ų53.63%0.02829%0.294CS..THydrogen-bonded Turntrans-65.2-26.6177.4-68176.2127.400112.7R194 R307 T308 G313 D320 F322 V323 I324R194-E311 IonicContact CZ-OE1 2.81Å; R194-E311 IonicContact CZ-OE2 2.76Å; R194-E311 IonicContact NH1-OE1 2.84Å; R194-E311 IonicContact NH1-OE2 2.86Å; R194-E311 PolarHBondContact NH1-OE2 2.76Å; R194-E311 IonicContact NH2-OE1 2.81Å; R194-E311 PolarHBondContact NH2-OE1 3.36Å; R194-E311 IonicContact NH2-OE2 3.6Å; R194-E311 PolarHBondContact NH2-OE2 3.09Å; R307-E311 WeakPolarHBondContact CA-OE2 3.43Å; R307-E311 HydrophobicContact CB-CB 3.97Å; R307-E311 HydrophobicContact CG-CB 4.24Å; T308-E311 PolarHBondContact N-OE2 3.35Å; T308-E311 WeakPolarHBondContact OG1-CG 3.23Å; T308-E311 PolarHBondContact OG1-N 3.4Å; E311-G313 VanDerWaalsContact C-N 3.27Å; E311-D320 HydrophobicContact CG-CB 3.85Å; E311-F322 WeakPolarHBondContact CA-O 3.45Å; E311-F322 WeakPolarHBondContact CG-O 3.34Å; E311-V323 CarbonylContact O-C 3.58Å; E311-I324 HydrophobicContact CB-CD1 4.37Å; E311-I324 HydrophobicContact CB-CG1 4.36Å; E311-I324 HydrophobicContact CG-CD1 4.1Å; E311-I324 HydrophobicContact CG-CG1 4.42Å; E311-I324 PolarHBondContact O-N 3.37Å; E311-I324 VanDerWaalsContact OE1-CD1 3.24Å; E311-I324 WeakPolarHBondContact OE1-CD1 3.37Å
312R97.4Very high97.1Very high71 Ų7154.3 Ų54.327%0.26829%0.293SS..THydrogen-bonded Turntrans-80.6-4.4171.8-73.7-177.4-72.8156.8-1.8113.6R195 R307 T308 E310 I314R195-R312 VanDerWaalsContact NH2-NH1 3.17Å; R307-R312 HydrophobicContact CB-CG 3.76Å; R307-R312 PolarHBondContact O-NE 3.37Å; T308-R312 WeakPolarHBondContact O-CB 2.93Å; T308-R312 WeakPolarHBondContact O-CG 3.28Å; T308-R312 PolarHBondContact O-N 3.19Å; T308-R312 VanDerWaalsContact O-N 3.12Å; T308-R312 PolarHBondContact O-NE 2.88Å; T308-R312 VanDerWaalsContact O-NE 3.16Å; E310-R312 PolarHBondContact O-N 2.98Å; R312-I314 VanDerWaalsContact C-N 3.26Å; R312-I314 HydrophobicContact CB-CD1 3.99Å; R312-I314 HydrophobicContact CB-CG1 4.03Å; R312-I314 PolarHBondContact O-N 3.4Å
313G97Very high97.1Very high46 Ų4656.7 Ų56.747%0.47431%0.305SS..THydrogen-bonded Turntrans72.715.9-17700000114.3E309 E310 E311E309-G313 PolarHBondContact O-N 3.46Å; E310-G313 WeakPolarHBondContact O-CA 3.29Å; E310-G313 PolarHBondContact O-N 3.37Å; E311-G313 VanDerWaalsContact C-N 3.27Å
314I96.1Very high97.1Very high106 Ų10656.7 Ų56.754%0.54431%0.305SS..SBendtrans-78.6-38.5176.3-58.8170.6000109.7E309 R312E309-I314 HydrophobicContact CB-CB 4.28Å; E309-I314 WeakPolarHBondContact O-CB 3.48Å; E309-I314 PolarHBondContact O-N 2.89Å; R312-I314 VanDerWaalsContact C-N 3.26Å; R312-I314 HydrophobicContact CB-CD1 3.99Å; R312-I314 HydrophobicContact CB-CG1 4.03Å; R312-I314 PolarHBondContact O-N 3.4Å
315K96.7Very high97Very high111 Ų11160.7 Ų60.748%0.48333%0.331SS..SBendtrans-113.9153.5173-74.3179.3175.6164.20110.3E309 E310E309-K315 HydrophobicContact CB-CB 4.43Å; E309-K315 HydrophobicContact CB-CD 4.06Å; E309-K315 HydrophobicContact CB-CG 4.22Å; E309-K315 PolarHBondContact O-N 3.16Å; E309-K315 VanDerWaalsContact O-N 3.15Å; E309-K315 WeakPolarHBondContact OE2-CD 3.32Å; E309-K315 WeakPolarHBondContact OE2-CE 3.4Å; E309-K315 IonicContact OE2-NZ 2.78Å; E309-K315 PolarHBondContact OE2-NZ 3.1Å; E310-K315 WeakPolarHBondContact CA-O 3.43Å; E310-K315 HydrophobicContact CG-CB 4.09Å
316P97.3Very high97Very high101 Ų10161.7 Ų61.766%0.65634%0.335SS*.  trans-64.5152.2171.429-35000110.9E310 C318E310-P316 WeakPolarHBondContact CG-O 3.4Å; P316-C318 PolarHBondContact O-N 3.48Å
317L97.3Very high96.9Very high77 Ų7762.1 Ų62.140%0.40334%0.338SS..  trans-66.9121.2175.5-63.5171.4000110.3E310 D320 V323E310-L317 HydrophobicContact CB-CD2 4.03Å; E310-L317 WeakPolarHBondContact OE2-CA 3.43Å; L317-D320 HydrophobicContact CD2-CB 4.12Å; L317-V323 HydrophobicContact CD1-CG2 4.1Å; L317-V323 HydrophobicContact CD2-CG2 4.2Å; L317-V323 HydrophobicContact CG-CG2 4.12Å
318C95.7Very high96.9Very high100 Ų10060.4 Ų60.468%0.67633%0.332SS*.SBendtrans-133.1-38.9175.7-70.40000111.5E310 P316E310-C318 PolarHBondContact OE2-N 2.78Å; P316-C318 PolarHBondContact O-N 3.48Å
319N93.1Very high96.9Very high133 Ų13359.9 Ų59.971%0.71133%0.328SS*.SBendtrans-115.8-28.4-178.5-56.1-78.6000112.3E310E310-N319 PolarHBondContact OE1-N 3.23Å; E310-N319 PolarHBondContact OE1-ND2 3.29Å; E310-N319 PolarHBondContact OE2-N 2.75Å
320D95.3Very high97Very high33 Ų3357 Ų5718%0.17632%0.316CS..  trans-95.6154.6178.8-60.3-53.7000111.2T308 E310 E311 L317T308-D320 WeakPolarHBondContact CB-OD2 3.48Å; T308-D320 WeakPolarHBondContact CG2-OD2 3.49Å; T308-D320 PolarHBondContact OG1-OD2 3.28Å; E310-D320 HydrophobicContact CB-CB 4.23Å; E310-D320 WeakPolarHBondContact CB-OD2 3.21Å; E310-D320 PolarHBondContact OE2-N 3.05Å; E311-D320 HydrophobicContact CG-CB 3.85Å; L317-D320 HydrophobicContact CD2-CB 4.12Å
321Q94.8Very high97Very high135 Ų13556.5 Ų56.563%0.63131%0.314SS*.SBendtrans-86.6-27.1-175.3-67.7-174.4-8.300113.7
322F97.1Very high97Very high41 Ų4156.2 Ų56.218%0.1831%0.313CS..  trans-139.1144.4-167.1-50.5-69.5000112.2E311 I324 V349 N351 I376E311-F322 WeakPolarHBondContact CA-O 3.45Å; E311-F322 WeakPolarHBondContact CG-O 3.34Å; F322-I324 HydrophobicContact CB-CD1 4.5Å; F322-I324 HydrophobicContact CB-CG1 3.87Å; F322-V349 HydrophobicContact CB-CG1 3.7Å; F322-V349 HydrophobicContact CD1-CG1 3.8Å; F322-V349 HydrophobicContact CG-CG1 3.79Å; F322-N351 HydrophobicContact CZ-CB 4.3Å; F322-I376 HydrophobicContact CD2-CB 3.93Å; F322-I376 HydrophobicContact CD2-CG2 4.27Å; F322-I376 HydrophobicContact CE2-CB 4.01Å; F322-I376 HydrophobicContact CE2-CG2 4.09Å; F322-I376 HydrophobicContact CZ-CG2 4.48Å
323V98Very high96.9Very high75 Ų7553.4 Ų53.446%0.45530%0.304SS..  trans-82.8121.2156.6179.30000107.3E311 L317E311-V323 CarbonylContact O-C 3.58Å; L317-V323 HydrophobicContact CD1-CG2 4.1Å; L317-V323 HydrophobicContact CD2-CG2 4.2Å; L317-V323 HydrophobicContact CG-CG2 4.12Å
324I98.1Very high97Very high1 Ų152 Ų521%0.00529%0.285CS..  trans-113.7115.3-171.6-49.3174.6000110.4R307 E311 F322 K326 I376 R377R307-I324 VanDerWaalsContact CD-O 3.24Å; R307-I324 WeakPolarHBondContact CD-O 3.35Å; R307-I324 PolarHBondContact NH1-O 3.41Å; E311-I324 HydrophobicContact CB-CD1 4.37Å; E311-I324 HydrophobicContact CB-CG1 4.36Å; E311-I324 HydrophobicContact CG-CD1 4.1Å; E311-I324 HydrophobicContact CG-CG1 4.42Å; E311-I324 PolarHBondContact O-N 3.37Å; E311-I324 VanDerWaalsContact OE1-CD1 3.24Å; E311-I324 WeakPolarHBondContact OE1-CD1 3.37Å; F322-I324 HydrophobicContact CB-CD1 4.5Å; F322-I324 HydrophobicContact CB-CG1 3.87Å; I324-K326 PolarHBondContact O-N 2.88Å; I324-I376 HydrophobicContact CD1-CD1 4.21Å; I324-I376 HydrophobicContact CD1-CG1 4.21Å; I324-I376 HydrophobicContact CG1-CD1 4.21Å; I324-I376 HydrophobicContact CG2-CD1 3.83Å; I324-R377 VanDerWaalsContact CG2-CZ 3.47Å; I324-R377 VanDerWaalsContact CG2-NH2 3.31Å
325P96.3Very high97.1Very high83 Ų8346.9 Ų46.954%0.53926%0.259SS..SBendtrans-70.2-31.5-168.525.3-34.2000113.7R307R307-P325 VanDerWaalsContact NH1-C 3.27Å; R307-P325 PolarHBondContact NH1-O 3.33Å
326K97.4Very high97.1Very high33 Ų3341.6 Ų41.614%0.14324%0.236CC..SBendtrans-118.4152.2-173.1-58.3-163.2-79.3-167.90111.6R307 I324 A330 S331 V332 S333 R377 D468R307-K326 WeakPolarHBondContact CD-O 3.47Å; I324-K326 PolarHBondContact O-N 2.88Å; K326-A330 HydrophobicContact CB-CB 3.76Å; K326-A330 HydrophobicContact CD-CB 4.13Å; K326-A330 HydrophobicContact CG-CB 4.45Å; K326-S331 PolarHBondContact NZ-O 3.27Å; K326-S331 PolarHBondContact NZ-OG 2.83Å; K326-V332 PolarHBondContact NZ-O 3.46Å; K326-S333 WeakPolarHBondContact CE-OG 3.1Å; K326-R377 PolarHBondContact O-NH1 3.38Å; K326-R377 PolarHBondContact O-NH2 3.3Å; K326-D468 IonicContact NZ-OD1 3.52Å; K326-D468 PolarHBondContact NZ-OD1 2.72Å; K326-D468 IonicContact NZ-OD2 3.37Å; K326-D468 PolarHBondContact NZ-OD2 3.42Å
327S98.2Very high97Very high8 Ų836.9 Ų36.96%0.05621%0.205CC..  trans-58.6158.5164.2169.80000110.1S301 F329 A330 R377S301-S327 WeakPolarHBondContact O-CB 3.42Å; S301-S327 PolarHBondContact O-OG 3.04Å; S327-F329 WeakPolarHBondContact CB-O 3.48Å; S327-F329 PolarHBondContact O-N 2.95Å; S327-F329 PolarHBondContact OG-N 2.77Å; S327-F329 VanDerWaalsContact OG-N 3.15Å; S327-F329 PolarHBondContact OG-O 3.33Å; S327-A330 WeakPolarHBondContact O-CB 3.41Å; S327-R377 PolarHBondContact O-NH2 2.91Å
328R97.8Very high96.7Very high2 Ų238 Ų381%0.00822%0.217CC..SBendtrans-65.8-16.8170.770.6-168.9-54.4149.76112.7D306 R377 D378 I380 T405 W407D306-R328 IonicContact OD2-CZ 3.21Å; D306-R328 IonicContact OD2-NH1 2.7Å; D306-R328 PolarHBondContact OD2-NH1 3.08Å; R328-R377 HydrophobicContact CB-CG 4.39Å; R328-D378 PolarHBondContact NH1-O 3.46Å; R328-D378 PolarHBondContact NH2-O 3.31Å; R328-D378 VanDerWaalsContact NH2-O 3.1Å; R328-I380 VanDerWaalsContact CZ-CG1 3.47Å; R328-I380 VanDerWaalsContact NH1-CG2 3.26Å; R328-T405 PolarHBondContact NE-O 2.95Å; R328-T405 PolarHBondContact NH2-OG1 2.79Å; R328-W407 HydrophobicContact CG-CE3 3.93Å; R328-W407 HydrophobicContact CG-CZ3 3.74Å; R328-W407 PolarHBondContact O-N 3.38Å
329F98.3Very high96.4Very high8 Ų835.2 Ų35.24%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-102.2107.7161.4-170.9-62.1000109.4M245 W297 I300 S301 V304 S327 W407M245-F329 HydrophobicContact CE-CD2 4.08Å; W297-F329 AromaticContact CD2-CE1 3.87Å; W297-F329 HydrophobicContact CD2-CE1 3.87Å; W297-F329 AromaticContact CE2-CE1 3.94Å; W297-F329 AromaticContact CE3-CE1 3.75Å; W297-F329 HydrophobicContact CE3-CE1 3.75Å; W297-F329 HydrophobicContact CE3-CZ 4.1Å; W297-F329 HydrophobicContact CH2-CD1 4.47Å; W297-F329 AromaticContact CH2-CE1 3.69Å; W297-F329 HydrophobicContact CH2-CE1 3.69Å; W297-F329 HydrophobicContact CH2-CZ 4.12Å; W297-F329 HydrophobicContact CZ2-CD1 4.4Å; W297-F329 AromaticContact CZ2-CE1 3.89Å; W297-F329 HydrophobicContact CZ2-CE1 3.89Å; W297-F329 AromaticContact CZ3-CE1 3.66Å; W297-F329 HydrophobicContact CZ3-CE1 3.66Å; W297-F329 AromaticContact CZ3-CZ 3.8Å; W297-F329 HydrophobicContact CZ3-CZ 3.8Å; I300-F329 HydrophobicContact CB-CD1 4.37Å; I300-F329 HydrophobicContact CB-CD2 4.43Å; I300-F329 HydrophobicContact CB-CE1 3.96Å; I300-F329 HydrophobicContact CB-CE2 4.05Å; I300-F329 HydrophobicContact CB-CZ 3.81Å; I300-F329 HydrophobicContact CD1-CZ 4.35Å; I300-F329 HydrophobicContact CG2-CD1 4.29Å; I300-F329 HydrophobicContact CG2-CD2 3.53Å; I300-F329 HydrophobicContact CG2-CE1 4.07Å; I300-F329 HydrophobicContact CG2-CE2 3.28Å; I300-F329 HydrophobicContact CG2-CG 4.07Å; I300-F329 HydrophobicContact CG2-CZ 3.58Å; S301-F329 WeakPolarHBondContact CA-O 3.47Å; S301-F329 WeakPolarHBondContact CB-O 3.07Å; S301-F329 PolarHBondContact OG-O 3.33Å; V304-F329 HydrophobicContact CG2-CB 3.33Å; V304-F329 HydrophobicContact CG2-CD2 4.29Å; V304-F329 HydrophobicContact CG2-CG 4.16Å; S327-F329 WeakPolarHBondContact CB-O 3.48Å; S327-F329 PolarHBondContact O-N 2.95Å; S327-F329 PolarHBondContact OG-N 2.77Å; S327-F329 VanDerWaalsContact OG-N 3.15Å; S327-F329 PolarHBondContact OG-O 3.33Å; F329-W407 VanDerWaalsContact CA-O 3.23Å; F329-W407 WeakPolarHBondContact CA-O 3.28Å; F329-W407 HydrophobicContact CB-CB 4.02Å; F329-W407 HydrophobicContact CB-CE3 4.26Å; F329-W407 HydrophobicContact CD2-CB 3.23Å; F329-W407 HydrophobicContact CD2-CD2 4.41Å; F329-W407 AromaticContact CD2-CG 3.92Å; F329-W407 HydrophobicContact CD2-CG 3.92Å; F329-W407 HydrophobicContact CE2-CB 3.82Å; F329-W407 HydrophobicContact CG-CB 3.83Å
330A97.9Very high96.4Very high8 Ų828.9 Ų28.97%0.06616%0.161CC..EExtended strand (participates in β ladder)trans-164.4178.8-177.400000111.9W297 K326 S327 W407 Q408 S409W297-A330 WeakPolarHBondContact CZ2-O 3.38Å; K326-A330 HydrophobicContact CB-CB 3.76Å; K326-A330 HydrophobicContact CD-CB 4.13Å; K326-A330 HydrophobicContact CG-CB 4.45Å; S327-A330 WeakPolarHBondContact O-CB 3.41Å; A330-W407 PolarHBondContact N-O 2.92Å; A330-Q408 CarbonylContact O-C 3.53Å; A330-Q408 WeakPolarHBondContact O-CA 3.43Å; A330-S409 PolarHBondContact O-N 2.81Å
331S98Very high96.3Very high8 Ų829.2 Ų29.26%0.05617%0.168CC..SBendtrans-57.9159.8167.253.60000111.6K326 D468K326-S331 PolarHBondContact NZ-O 3.27Å; K326-S331 PolarHBondContact NZ-OG 2.83Å; S331-D468 VanDerWaalsContact CB-OD1 3.29Å; S331-D468 WeakPolarHBondContact CB-OD1 3.4Å; S331-D468 PolarHBondContact OG-OD1 3.37Å
332V98Very high96.2Very high0 Ų026.7 Ų26.70%016%0.155CC..  trans-53.3146.3173.3-62.60000111.8Y266 A270 K326 Q408 S409 M410 L464Y266-V332 HydrophobicContact CE1-CB 4.39Å; Y266-V332 HydrophobicContact CE1-CG1 4.06Å; Y266-V332 HydrophobicContact CE2-CG1 4.19Å; Y266-V332 WeakPolarHBondContact OH-CG1 3.38Å; A270-V332 HydrophobicContact CB-CG2 3.67Å; K326-V332 PolarHBondContact NZ-O 3.46Å; V332-Q408 HydrophobicContact CG1-CB 4.26Å; V332-S409 PolarHBondContact N-OG 3.03Å; V332-M410 HydrophobicContact CG1-CB 3.75Å; V332-M410 HydrophobicContact CG1-CG 4.28Å; V332-L464 HydrophobicContact CG2-CD1 4.01Å
333S97.3Very high96.2Very high13 Ų1324.8 Ų24.89%0.09115%0.147CC..  trans-104.7-9.5-178.1-55.20000113.6K326 H373 L464K326-S333 WeakPolarHBondContact CE-OG 3.1Å; S333-H373 VanDerWaalsContact CB-NE2 3.26Å; S333-H373 WeakPolarHBondContact CB-NE2 3.44Å; S333-H373 PolarHBondContact OG-NE2 3.26Å; S333-L464 VanDerWaalsContact O-CD2 3.23Å; S333-L464 WeakPolarHBondContact O-CD2 3.2Å
334F98Very high96.2Very high15 Ų1522.7 Ų22.77%0.06613%0.133CC..  trans-161.4134.9-175-151.3-112.6000111.3N344 L348 T366 L369F334-N344 HydrophobicContact CD2-CB 4Å; F334-N344 WeakPolarHBondContact CE1-ND2 3.36Å; F334-N344 HydrophobicContact CE2-CB 3.6Å; F334-N344 VanDerWaalsContact CE2-CG 3.45Å; F334-N344 WeakPolarHBondContact CE2-ND2 3.42Å; F334-N344 HydrophobicContact CZ-CB 4.18Å; F334-N344 VanDerWaalsContact CZ-ND2 3.26Å; F334-N344 WeakPolarHBondContact CZ-ND2 3.36Å; F334-L348 HydrophobicContact CB-CD1 4.28Å; F334-L348 HydrophobicContact CB-CD2 4.43Å; F334-L348 HydrophobicContact CD2-CB 4.31Å; F334-L348 HydrophobicContact CD2-CD1 4.17Å; F334-L348 HydrophobicContact CD2-CD2 3.73Å; F334-L348 HydrophobicContact CD2-CG 4.29Å; F334-L348 HydrophobicContact CE2-CB 4.44Å; F334-L348 HydrophobicContact CE2-CD2 4.03Å; F334-L348 HydrophobicContact CG-CD2 4Å; F334-T366 HydrophobicContact CE1-CG2 4.22Å; F334-L369 HydrophobicContact CD1-CB 4.37Å; F334-L369 HydrophobicContact CE1-CB 3.94Å; F334-L369 HydrophobicContact CE1-CD1 3.96Å; F334-L369 HydrophobicContact CE2-CD1 4.26Å; F334-L369 HydrophobicContact CZ-CB 4.23Å; F334-L369 HydrophobicContact CZ-CD1 3.51Å
335Y98.1Very high96.1Very high0 Ų025.9 Ų25.90%015%0.15CC..  trans-76.6143.4165.7-68.7-54.4000111.3D267 A270 T271 F343 N344 L461 I462 L464 V467D267-Y335 HydrophobicContact CB-CD1 3.54Å; D267-Y335 HydrophobicContact CB-CE1 4.1Å; D267-Y335 HydrophobicContact CB-CG 4.31Å; D267-Y335 WeakPolarHBondContact O-CE1 3.37Å; D267-Y335 VanDerWaalsContact OD1-CA 3.29Å; D267-Y335 WeakPolarHBondContact OD1-CA 3.37Å; A270-Y335 HydrophobicContact CB-CE1 4.09Å; T271-Y335 VanDerWaalsContact CG2-OH 3.32Å; T271-Y335 WeakPolarHBondContact CG2-OH 3.38Å; Y335-F343 HydrophobicContact CD2-CB 3.79Å; Y335-F343 HydrophobicContact CE2-CB 3.63Å; Y335-N344 WeakPolarHBondContact CB-OD1 3.18Å; Y335-N344 PolarHBondContact N-OD1 3.15Å; Y335-N344 PolarHBondContact O-ND2 3.49Å; Y335-N344 VanDerWaalsContact O-ND2 3.15Å; Y335-L461 HydrophobicContact CD1-CD2 4.28Å; Y335-L461 HydrophobicContact CE1-CD2 3.9Å; Y335-I462 WeakPolarHBondContact CE2-O 3.47Å; Y335-I462 PolarHBondContact OH-O 3.41Å; Y335-L464 HydrophobicContact CD2-CD1 4.36Å; Y335-L464 HydrophobicContact CE1-CD1 4.2Å; Y335-L464 HydrophobicContact CE2-CB 4.14Å; Y335-L464 HydrophobicContact CE2-CD1 3.9Å; Y335-V467 WeakPolarHBondContact OH-CG2 3.49Å
336L98Very high96.1Very high0 Ų024 Ų240%014%0.135CC..  trans-104.2-29.6-170.5-51.4-175.2000113.1R263 Y266 D267 T366 H370 F412R263-L336 HydrophobicContact CB-CB 4.02Å; R263-L336 HydrophobicContact CG-CB 3.88Å; R263-L336 PolarHBondContact NE-O 3.25Å; R263-L336 PolarHBondContact NH2-O 3.32Å; Y266-L336 HydrophobicContact CD1-CD1 3.68Å; Y266-L336 HydrophobicContact CD1-CG 3.68Å; Y266-L336 HydrophobicContact CD2-CD1 4.28Å; Y266-L336 HydrophobicContact CE1-CD1 3.9Å; Y266-L336 HydrophobicContact CE1-CD2 4.43Å; Y266-L336 HydrophobicContact CE1-CG 3.77Å; Y266-L336 HydrophobicContact CE2-CD1 4.46Å; Y266-L336 HydrophobicContact CG-CD1 3.87Å; Y266-L336 HydrophobicContact CG-CG 4.37Å; D267-L336 PolarHBondContact OD1-N 3.24Å; D267-L336 PolarHBondContact OD2-N 3.47Å; L336-T366 PolarHBondContact O-OG1 3.26Å; L336-H370 HydrophobicContact CD2-CB 3.36Å; L336-F412 HydrophobicContact CD1-CB 3.8Å; L336-F412 HydrophobicContact CD1-CD1 4.12Å; L336-F412 HydrophobicContact CD1-CD2 3.88Å; L336-F412 HydrophobicContact CD1-CE2 4.44Å; L336-F412 HydrophobicContact CD1-CG 3.68Å
337S95.2Very high96Very high1 Ų127.9 Ų27.91%0.00716%0.164CC..SBendtrans-76.8152.2-177.6740000111.1D267 M339 G340 A341D267-S337 WeakPolarHBondContact OD2-CA 3.41Å; D267-S337 WeakPolarHBondContact OD2-CB 3.4Å; D267-S337 PolarHBondContact OD2-N 2.87Å; D267-S337 PolarHBondContact OD2-OG 3.16Å; S337-M339 PolarHBondContact O-N 3.06Å; S337-G340 PolarHBondContact O-N 2.72Å; S337-G340 PolarHBondContact OG-N 3.19Å; S337-A341 PolarHBondContact O-N 2.88Å
338P89.5Confident96Very high102 Ų10229 Ų2966%0.66217%0.169SC*.THydrogen-bonded Turntrans-54.1-34.4172-27.935.8000113.3A341P338-A341 WeakPolarHBondContact O-CB 3.4Å; P338-A341 PolarHBondContact O-N 3.18Å
339M89.6Confident96Very high40 Ų4030.5 Ų30.520%0.19718%0.178CC..THydrogen-bonded Turntrans-68.4-34.6176.5-177.9-176.834.900112.5S337 F343 N459 L461 F546S337-M339 PolarHBondContact O-N 3.06Å; M339-F343 WeakPolarHBondContact O-CD2 3.37Å; M339-N459 HydrophobicContact SD-CB 4.47Å; M339-L461 HydrophobicContact CB-CD1 4.23Å; M339-L461 HydrophobicContact CE-CD1 3.83Å; M339-L461 HydrophobicContact CG-CD1 3.63Å; M339-L461 HydrophobicContact SD-CD1 3.9Å; M339-F546 HydrophobicContact CG-CE1 4.39Å; M339-F546 HydrophobicContact CG-CZ 4.21Å; M339-F546 HydrophobicContact SD-CD1 4.47Å; M339-F546 HydrophobicContact SD-CE1 3.52Å; M339-F546 VanDerWaalsContact SD-CE1 3.52Å; M339-F546 HydrophobicContact SD-CE2 4.22Å; M339-F546 HydrophobicContact SD-CZ 3.36Å; M339-F546 WeakPolarHBondContact SD-CZ 3.36Å
340G93.5Very high96Very high0 Ų033.4 Ų33.40%019%0.189CC..THydrogen-bonded Turntrans-73.8-22.9177.500000114S337 K342 F343S337-G340 PolarHBondContact O-N 2.72Å; S337-G340 PolarHBondContact OG-N 3.19Å; G340-K342 VanDerWaalsContact C-N 3.28Å; G340-K342 PolarHBondContact O-N 2.98Å; G340-K342 VanDerWaalsContact O-N 3.15Å; G340-F343 WeakPolarHBondContact O-CA 3.33Å; G340-F343 WeakPolarHBondContact O-CB 3.32Å; G340-F343 PolarHBondContact O-N 3.09Å
341A93.4Very high96Very high41 Ų4133.8 Ų33.834%0.33919%0.19SC..G310 helixtrans-53.7-41.1-172.800000113.7S337 P338 F343 N344 T366S337-A341 PolarHBondContact O-N 2.88Å; P338-A341 WeakPolarHBondContact O-CB 3.4Å; P338-A341 PolarHBondContact O-N 3.18Å; A341-F343 PolarHBondContact O-N 3.33Å; A341-N344 WeakPolarHBondContact O-CB 3.5Å; A341-N344 PolarHBondContact O-N 3.36Å; A341-T366 HydrophobicContact CB-CG2 4.11Å
342K92.6Very high96Very high82 Ų8240.1 Ų40.136%0.35722%0.217SC..G310 helixtrans-70.3-15.617967.9175.1-178.7172.50114.4G340 V549 P551G340-K342 VanDerWaalsContact C-N 3.28Å; G340-K342 PolarHBondContact O-N 2.98Å; G340-K342 VanDerWaalsContact O-N 3.15Å; K342-V549 PolarHBondContact NZ-O 3.1Å; K342-P551 HydrophobicContact CB-CG 4.28Å; K342-P551 HydrophobicContact CD-CG 4.36Å; K342-P551 HydrophobicContact CG-CG 4.21Å; K342-P551 WeakPolarHBondContact O-CG 3.26Å
343F96.7Very high96Very high1 Ų145.4 Ų45.40%0.00425%0.245CC..G310 helixtrans-95.6-0.7178.6-60.7-81.9000112.6Y335 M339 G340 A341 D345 L461 P463 L464 P551Y335-F343 HydrophobicContact CD2-CB 3.79Å; Y335-F343 HydrophobicContact CE2-CB 3.63Å; M339-F343 WeakPolarHBondContact O-CD2 3.37Å; G340-F343 WeakPolarHBondContact O-CA 3.33Å; G340-F343 WeakPolarHBondContact O-CB 3.32Å; G340-F343 PolarHBondContact O-N 3.09Å; A341-F343 PolarHBondContact O-N 3.33Å; F343-D345 VanDerWaalsContact C-N 3.31Å; F343-D345 PolarHBondContact O-N 2.98Å; F343-L461 HydrophobicContact CD2-CB 3.74Å; F343-L461 HydrophobicContact CD2-CD1 4.15Å; F343-L461 HydrophobicContact CE2-CB 3.67Å; F343-L461 HydrophobicContact CE2-CD1 4.13Å; F343-L461 HydrophobicContact CG-CB 4.21Å; F343-L461 HydrophobicContact CZ-CB 4.09Å; F343-P463 HydrophobicContact CD1-CG 4.42Å; F343-P463 WeakPolarHBondContact O-CA 3.38Å; F343-L464 PolarHBondContact O-N 2.97Å; F343-P551 HydrophobicContact CD1-CB 3.8Å; F343-P551 HydrophobicContact CD1-CG 4.26Å; F343-P551 HydrophobicContact CE1-CB 3.99Å; F343-P551 HydrophobicContact CE1-CG 4.36Å
344N97.3Very high96.1Very high30 Ų3045.8 Ų45.816%0.1625%0.245CC..  trans-78.679.5171.6-72.9-38.9000110.3F334 Y335 A341F334-N344 HydrophobicContact CD2-CB 4Å; F334-N344 WeakPolarHBondContact CE1-ND2 3.36Å; F334-N344 HydrophobicContact CE2-CB 3.6Å; F334-N344 VanDerWaalsContact CE2-CG 3.45Å; F334-N344 WeakPolarHBondContact CE2-ND2 3.42Å; F334-N344 HydrophobicContact CZ-CB 4.18Å; F334-N344 VanDerWaalsContact CZ-ND2 3.26Å; F334-N344 WeakPolarHBondContact CZ-ND2 3.36Å; Y335-N344 WeakPolarHBondContact CB-OD1 3.18Å; Y335-N344 PolarHBondContact N-OD1 3.15Å; Y335-N344 PolarHBondContact O-ND2 3.49Å; Y335-N344 VanDerWaalsContact O-ND2 3.15Å; A341-N344 WeakPolarHBondContact O-CB 3.5Å; A341-N344 PolarHBondContact O-N 3.36Å
345D97Very high96.1Very high68 Ų6847 Ų4736%0.36425%0.249SC..  trans-96.1-4.2-176.666.5-34.6000113.9F343 P463 L464 S465F343-D345 VanDerWaalsContact C-N 3.31Å; F343-D345 PolarHBondContact O-N 2.98Å; D345-P463 HydrophobicContact CB-CB 4.45Å; D345-P463 VanDerWaalsContact OD2-CB 3.31Å; D345-P463 WeakPolarHBondContact OD2-CB 3.48Å; D345-L464 WeakPolarHBondContact OD1-CA 3.29Å; D345-L464 PolarHBondContact OD1-N 3.35Å; D345-S465 PolarHBondContact OD1-N 3.47Å; D345-S465 WeakPolarHBondContact OD2-CB 3.42Å; D345-S465 PolarHBondContact OD2-OG 3.48Å
346I96.6Very high96.1Very high45 Ų4550.4 Ų50.423%0.23127%0.267CS..SBendtrans-92.6129.4175.1-53.9176.9000109.4L348 L464 D468I346-L348 PolarHBondContact O-N 3.15Å; I346-L348 VanDerWaalsContact O-N 3.13Å; I346-L464 HydrophobicContact CD1-CB 4.12Å; I346-L464 HydrophobicContact CD1-CD2 4.2Å; I346-L464 HydrophobicContact CD1-CG 3.98Å; I346-L464 HydrophobicContact CG1-CB 4.31Å; I346-D468 WeakPolarHBondContact CD1-OD2 3.32Å
347P95.9Very high96.2Very high114 Ų11453.1 Ų53.174%0.7428%0.284SS*.PPolyproline II helixtrans-56118.5171.6-25.734.9000111.8
348L97.5Very high96.3Very high32 Ų3253.1 Ų53.117%0.16828%0.284CS..PPolyproline II helixtrans-85127.1179.5-169.370000110.5F334 I346 Y350 L369 H373F334-L348 HydrophobicContact CB-CD1 4.28Å; F334-L348 HydrophobicContact CB-CD2 4.43Å; F334-L348 HydrophobicContact CD2-CB 4.31Å; F334-L348 HydrophobicContact CD2-CD1 4.17Å; F334-L348 HydrophobicContact CD2-CD2 3.73Å; F334-L348 HydrophobicContact CD2-CG 4.29Å; F334-L348 HydrophobicContact CE2-CB 4.44Å; F334-L348 HydrophobicContact CE2-CD2 4.03Å; F334-L348 HydrophobicContact CG-CD2 4Å; I346-L348 PolarHBondContact O-N 3.15Å; I346-L348 VanDerWaalsContact O-N 3.13Å; L348-Y350 HydrophobicContact CB-CD1 4.49Å; L348-Y350 HydrophobicContact CD2-CD1 4.45Å; L348-Y350 HydrophobicContact CG-CD1 4.45Å; L348-Y350 WeakPolarHBondContact O-CD1 3.45Å; L348-L369 HydrophobicContact CD2-CB 3.84Å; L348-L369 HydrophobicContact CD2-CD2 4.37Å; L348-H373 HydrophobicContact CD1-CB 3.92Å; L348-H373 HydrophobicContact CD2-CB 4.05Å; L348-H373 HydrophobicContact CG-CB 4.09Å
349V97.9Very high96.8Very high33 Ų3351.1 Ų51.120%0.227%0.267CS..PPolyproline II helixtrans-85.7123168.8-1780000108.2F322 H373 I376F322-V349 HydrophobicContact CB-CG1 3.7Å; F322-V349 HydrophobicContact CD1-CG1 3.8Å; F322-V349 HydrophobicContact CG-CG1 3.79Å; V349-H373 PolarHBondContact O-ND1 3.26Å; V349-I376 HydrophobicContact CB-CD1 4.19Å; V349-I376 HydrophobicContact CG1-CD1 4Å; V349-I376 HydrophobicContact CG1-CG2 4.39Å
350Y98.2Very high97.2Very high68 Ų6857.1 Ų57.127%0.26729%0.294SS..  trans-150.3156.2179.765.5-82.4000111.1L348 K352 Y355 L369 A372L348-Y350 HydrophobicContact CB-CD1 4.49Å; L348-Y350 HydrophobicContact CD2-CD1 4.45Å; L348-Y350 HydrophobicContact CG-CD1 4.45Å; L348-Y350 WeakPolarHBondContact O-CD1 3.45Å; Y350-K352 HydrophobicContact CE2-CG 4.02Å; Y350-K352 PolarHBondContact O-N 3.33Å; Y350-Y355 HydrophobicContact CD2-CG 4.24Å; Y350-Y355 HydrophobicContact CE2-CD1 4.23Å; Y350-Y355 HydrophobicContact CE2-CD2 4.37Å; Y350-Y355 AromaticContact CE2-CG 3.86Å; Y350-Y355 HydrophobicContact CE2-CG 3.86Å; Y350-L369 HydrophobicContact CD1-CD2 3.78Å; Y350-L369 HydrophobicContact CD2-CD2 3.84Å; Y350-L369 HydrophobicContact CE1-CD2 3.66Å; Y350-L369 HydrophobicContact CE2-CD2 3.7Å; Y350-L369 HydrophobicContact CG-CD2 3.88Å; Y350-A372 HydrophobicContact CD2-CB 4.27Å
351N97.9Very high97.4Very high16 Ų1658 Ų589%0.08630%0.304CS..  trans-78.2118.8172.5-176.4-46.4000109.8F322 D353 Y354 Y355 A372F322-N351 HydrophobicContact CZ-CB 4.3Å; N351-D353 PolarHBondContact O-N 3.19Å; N351-D353 PolarHBondContact OD1-N 3.46Å; N351-Y354 HydrophobicContact CB-CD2 3.4Å; N351-Y354 VanDerWaalsContact CB-CD2 3.4Å; N351-Y354 HydrophobicContact CB-CE2 3.95Å; N351-Y354 HydrophobicContact CB-CG 3.89Å; N351-Y354 VanDerWaalsContact ND2-CE2 3.35Å; N351-Y354 WeakPolarHBondContact ND2-CE2 3.4Å; N351-Y354 PolarHBondContact O-N 2.69Å; N351-Y354 PolarHBondContact OD1-N 2.88Å; N351-Y354 VanDerWaalsContact OD1-N 3.13Å; N351-Y355 WeakPolarHBondContact O-CB 3.15Å; N351-Y355 PolarHBondContact O-N 3.44Å; N351-A372 PolarHBondContact N-O 3.41Å
352K98Very high97.6Very high141 Ų14158.7 Ų58.761%0.61332%0.315SS*.Hα-helixtrans-66.9-35.6-176.1-69.3-178.6-179.9177.50113.1Y350 Y355 N356Y350-K352 HydrophobicContact CE2-CG 4.02Å; Y350-K352 PolarHBondContact O-N 3.33Å; K352-Y355 PolarHBondContact O-N 2.96Å; K352-N356 WeakPolarHBondContact O-CB 3.31Å; K352-N356 PolarHBondContact O-N 3.23Å; K352-N356 PolarHBondContact O-ND2 3.05Å
353D98.2Very high97.9Very high112 Ų11255 Ų5560%0.59930%0.299SS*.Hα-helixtrans-71-39.7-178.9-60.5-29.3000110.6N351 N356 T357N351-D353 PolarHBondContact O-N 3.19Å; N351-D353 PolarHBondContact OD1-N 3.46Å; D353-N356 PolarHBondContact O-N 3.43Å; D353-T357 WeakPolarHBondContact O-CB 3.33Å; D353-T357 PolarHBondContact O-N 3.22Å; D353-T357 PolarHBondContact O-OG1 2.99Å
354Y98.5Very high97.9Very high21 Ų2157.2 Ų57.28%0.08231%0.311CS..Hα-helixtrans-65.8-42.5173.1-59.6-18.2000111.4Q23 E24 I27 N351 T357 L358 F375Q23-Y354 HydrophobicContact CB-CE2 3.93Å; Q23-Y354 VanDerWaalsContact CB-OH 3.28Å; Q23-Y354 WeakPolarHBondContact CB-OH 3.47Å; E24-Y354 HydrophobicContact CG-CE1 3.94Å; I27-Y354 HydrophobicContact CD1-CD2 4.44Å; I27-Y354 HydrophobicContact CD1-CG 4.21Å; I27-Y354 HydrophobicContact CG1-CD1 4.05Å; I27-Y354 HydrophobicContact CG1-CD2 4.2Å; I27-Y354 HydrophobicContact CG1-CG 3.8Å; N351-Y354 HydrophobicContact CB-CD2 3.4Å; N351-Y354 VanDerWaalsContact CB-CD2 3.4Å; N351-Y354 HydrophobicContact CB-CE2 3.95Å; N351-Y354 HydrophobicContact CB-CG 3.89Å; N351-Y354 VanDerWaalsContact ND2-CE2 3.35Å; N351-Y354 WeakPolarHBondContact ND2-CE2 3.4Å; N351-Y354 PolarHBondContact O-N 2.69Å; N351-Y354 PolarHBondContact OD1-N 2.88Å; N351-Y354 VanDerWaalsContact OD1-N 3.13Å; Y354-T357 PolarHBondContact O-N 3.38Å; Y354-L358 WeakPolarHBondContact O-CD1 3.28Å; Y354-L358 WeakPolarHBondContact O-CG 3.33Å; Y354-L358 PolarHBondContact O-N 3.31Å; Y354-F375 HydrophobicContact CD2-CB 3.7Å; Y354-F375 HydrophobicContact CE2-CB 4.04Å
355Y98.7Very high97.8Very high40 Ų4060.5 Ų60.516%0.15733%0.325CS..Hα-helixtrans-57.5-50172.7167.2-94.6000111.9Y350 N351 K352 T357 L358 I359 H365 A368 L369Y350-Y355 HydrophobicContact CD2-CG 4.24Å; Y350-Y355 HydrophobicContact CE2-CD1 4.23Å; Y350-Y355 HydrophobicContact CE2-CD2 4.37Å; Y350-Y355 AromaticContact CE2-CG 3.86Å; Y350-Y355 HydrophobicContact CE2-CG 3.86Å; N351-Y355 WeakPolarHBondContact O-CB 3.15Å; N351-Y355 PolarHBondContact O-N 3.44Å; K352-Y355 PolarHBondContact O-N 2.96Å; Y355-T357 VanDerWaalsContact C-N 3.33Å; Y355-T357 PolarHBondContact O-N 3.34Å; Y355-L358 WeakPolarHBondContact O-CB 3.45Å; Y355-L358 PolarHBondContact O-N 3.29Å; Y355-L358 VanDerWaalsContact O-N 3.15Å; Y355-I359 HydrophobicContact CD1-CG1 4.28Å; Y355-I359 HydrophobicContact CD2-CG1 4.19Å; Y355-I359 HydrophobicContact CE1-CG1 3.78Å; Y355-I359 HydrophobicContact CE2-CD1 3.8Å; Y355-I359 HydrophobicContact CE2-CG1 3.69Å; Y355-I359 HydrophobicContact CG-CG1 4.47Å; Y355-I359 VanDerWaalsContact CZ-CG1 3.45Å; Y355-I359 WeakPolarHBondContact O-CG1 3.32Å; Y355-I359 PolarHBondContact O-N 3.47Å; Y355-H365 AromaticContact CE2-ND1 3.66Å; Y355-H365 AromaticContact CZ-ND1 3.67Å; Y355-H365 PolarHBondContact OH-ND1 3.24Å; Y355-A368 HydrophobicContact CD2-CB 3.92Å; Y355-A368 HydrophobicContact CE2-CB 4.05Å; Y355-L369 HydrophobicContact CD2-CD2 3.66Å; Y355-L369 HydrophobicContact CD2-CG 3.96Å; Y355-L369 HydrophobicContact CE2-CD2 3.83Å; Y355-L369 HydrophobicContact CE2-CG 3.82Å; Y355-L369 HydrophobicContact CG-CD2 4.42Å
356N98.7Very high97.8Very high72 Ų7257.8 Ų57.839%0.38531%0.311SS..Hα-helixtrans-60.7-44.2179.8-69-23.4000111.1K352 D353 L358 I359 E360K352-N356 WeakPolarHBondContact O-CB 3.31Å; K352-N356 PolarHBondContact O-N 3.23Å; K352-N356 PolarHBondContact O-ND2 3.05Å; D353-N356 PolarHBondContact O-N 3.43Å; N356-L358 VanDerWaalsContact C-N 3.29Å; N356-L358 PolarHBondContact O-N 3.01Å; N356-I359 PolarHBondContact O-N 3.1Å; N356-E360 WeakPolarHBondContact O-CB 3.4Å; N356-E360 WeakPolarHBondContact O-CG 3.33Å; N356-E360 PolarHBondContact O-N 2.64Å
357T98.7Very high97.8Very high57 Ų5755.7 Ų55.735%0.3530%0.3SS..Hα-helixtrans-57.4-41.9175.8-58.40000111.7I27 L31 D353 Y354 Y355 G361I27-T357 HydrophobicContact CG2-CG2 3.86Å; L31-T357 HydrophobicContact CD1-CG2 4.04Å; D353-T357 WeakPolarHBondContact O-CB 3.33Å; D353-T357 PolarHBondContact O-N 3.22Å; D353-T357 PolarHBondContact O-OG1 2.99Å; Y354-T357 PolarHBondContact O-N 3.38Å; Y355-T357 VanDerWaalsContact C-N 3.33Å; Y355-T357 PolarHBondContact O-N 3.34Å; T357-G361 PolarHBondContact O-N 3.06Å
358L98.7Very high98Very high0 Ų050.2 Ų50.20%027%0.265CS..Hα-helixtrans-67.2-43.5177.6-70.2162.9000112.2I27 F30 L31 Y354 Y355 N356 G361 G362 V363 A368 V371 A372I27-L358 HydrophobicContact CD1-CD1 4.2Å; I27-L358 HydrophobicContact CG2-CD2 4.15Å; I27-L358 HydrophobicContact CG2-CG 4.13Å; F30-L358 HydrophobicContact CD1-CD2 3.46Å; F30-L358 VanDerWaalsContact CD1-CD2 3.46Å; F30-L358 HydrophobicContact CE1-CD2 3.91Å; L31-L358 HydrophobicContact CD2-CD2 4.1Å; L31-L358 HydrophobicContact CG-CD2 4.18Å; Y354-L358 WeakPolarHBondContact O-CD1 3.28Å; Y354-L358 WeakPolarHBondContact O-CG 3.33Å; Y354-L358 PolarHBondContact O-N 3.31Å; Y355-L358 WeakPolarHBondContact O-CB 3.45Å; Y355-L358 PolarHBondContact O-N 3.29Å; Y355-L358 VanDerWaalsContact O-N 3.15Å; N356-L358 VanDerWaalsContact C-N 3.29Å; N356-L358 PolarHBondContact O-N 3.01Å; L358-G361 CarbonylContact O-C 3.56Å; L358-G361 PolarHBondContact O-N 3.1Å; L358-G362 PolarHBondContact O-N 3.32Å; L358-V363 HydrophobicContact CB-CB 4.23Å; L358-V363 HydrophobicContact CB-CG2 4.34Å; L358-V363 HydrophobicContact CD2-CG2 4.12Å; L358-V363 VanDerWaalsContact O-CB 3.31Å; L358-V363 WeakPolarHBondContact O-CB 3.26Å; L358-V363 WeakPolarHBondContact O-CG2 3.32Å; L358-V363 PolarHBondContact O-N 2.89Å; L358-A368 HydrophobicContact CB-CB 3.77Å; L358-A368 HydrophobicContact CD1-CB 4.38Å; L358-A368 WeakPolarHBondContact CD1-O 3.49Å; L358-V371 HydrophobicContact CD1-CB 3.83Å; L358-V371 HydrophobicContact CD1-CG1 3.87Å; L358-V371 HydrophobicContact CD2-CG1 4.33Å; L358-A372 HydrophobicContact CD1-CB 4.31Å
359I98.6Very high98Very high61 Ų6149.2 Ų49.231%0.31326%0.26SS..Hα-helixtrans-63.4-47.9176.9-67.3-62.5000111.4Y355 N356 G361 G362 V363 A368Y355-I359 HydrophobicContact CD1-CG1 4.28Å; Y355-I359 HydrophobicContact CD2-CG1 4.19Å; Y355-I359 HydrophobicContact CE1-CG1 3.78Å; Y355-I359 HydrophobicContact CE2-CD1 3.8Å; Y355-I359 HydrophobicContact CE2-CG1 3.69Å; Y355-I359 HydrophobicContact CG-CG1 4.47Å; Y355-I359 VanDerWaalsContact CZ-CG1 3.45Å; Y355-I359 WeakPolarHBondContact O-CG1 3.32Å; Y355-I359 PolarHBondContact O-N 3.47Å; N356-I359 PolarHBondContact O-N 3.1Å; I359-G361 PolarHBondContact O-N 3.28Å; I359-G362 WeakPolarHBondContact O-CA 3.14Å; I359-G362 PolarHBondContact O-N 3.32Å; I359-V363 WeakPolarHBondContact CD1-O 3.32Å; I359-A368 HydrophobicContact CD1-CB 3.76Å; I359-A368 HydrophobicContact CG1-CB 4.19Å
360E98.4Very high98Very high165 Ų16547.9 Ų47.977%0.77125%0.251SS*.Hα-helixtrans-62.2-33.3176.7-72.1173-168.900111.3N356 G362N356-E360 WeakPolarHBondContact O-CB 3.4Å; N356-E360 WeakPolarHBondContact O-CG 3.33Å; N356-E360 PolarHBondContact O-N 2.64Å; E360-G362 PolarHBondContact O-N 3.22Å
361G98.1Very high98Very high19 Ų1944.8 Ų44.820%0.19624%0.24CC..THydrogen-bonded Turntrans-72.21.3169.400000114.8H35 T357 L358 I359H35-G361 PolarHBondContact NE2-O 2.88Å; T357-G361 PolarHBondContact O-N 3.06Å; L358-G361 CarbonylContact O-C 3.56Å; L358-G361 PolarHBondContact O-N 3.1Å; I359-G361 PolarHBondContact O-N 3.28Å
362G97.8Very high98Very high55 Ų5544 Ų4457%0.56724%0.236SC*.THydrogen-bonded Turntrans80.817.117600000115.5L358 I359 E360L358-G362 PolarHBondContact O-N 3.32Å; I359-G362 WeakPolarHBondContact O-CA 3.14Å; I359-G362 PolarHBondContact O-N 3.32Å; E360-G362 PolarHBondContact O-N 3.22Å
363V98Very high98Very high5 Ų537.7 Ų37.73%0.0321%0.208CC..  trans-77.8137.2167.6-175.30000108.6F30 L31 Y34 L358 I359 L367 A368F30-V363 HydrophobicContact CE1-CG1 4.28Å; F30-V363 HydrophobicContact CE1-CG2 4Å; L31-V363 HydrophobicContact CD2-CG2 3.59Å; Y34-V363 HydrophobicContact CD1-CG2 3.77Å; Y34-V363 HydrophobicContact CE1-CB 4.44Å; Y34-V363 HydrophobicContact CE1-CG2 3.96Å; Y34-V363 HydrophobicContact CG-CG2 4.15Å; L358-V363 HydrophobicContact CB-CB 4.23Å; L358-V363 HydrophobicContact CB-CG2 4.34Å; L358-V363 HydrophobicContact CD2-CG2 4.12Å; L358-V363 VanDerWaalsContact O-CB 3.31Å; L358-V363 WeakPolarHBondContact O-CB 3.26Å; L358-V363 WeakPolarHBondContact O-CG2 3.32Å; L358-V363 PolarHBondContact O-N 2.89Å; I359-V363 WeakPolarHBondContact CD1-O 3.32Å; V363-L367 HydrophobicContact CG1-CB 3.87Å; V363-L367 HydrophobicContact CG1-CD2 3.94Å; V363-L367 HydrophobicContact CG1-CG 3.76Å; V363-A368 HydrophobicContact CB-CB 4.36Å; V363-A368 HydrophobicContact CG1-CB 4.08Å
364D96.6Very high98Very high47 Ų4732.5 Ų32.525%0.25118%0.18SC..  trans-68.1158.8178.977.285.7000112.7R263 T366 L367 A368R263-D364 IonicContact CZ-OD1 3.81Å; R263-D364 IonicContact CZ-OD2 2.73Å; R263-D364 VanDerWaalsContact CZ-OD2 3.3Å; R263-D364 IonicContact NH1-OD1 2.57Å; R263-D364 IonicContact NH1-OD2 2.79Å; R263-D364 PolarHBondContact NH1-OD2 3.25Å; R263-D364 VanDerWaalsContact NH2-CG 3.29Å; R263-D364 IonicContact NH2-OD1 2.63Å; R263-D364 PolarHBondContact NH2-OD1 3.44Å; R263-D364 IonicContact NH2-OD2 3.71Å; R263-D364 PolarHBondContact NH2-OD2 2.92Å; R263-D364 VanDerWaalsContact NH2-OD2 3.16Å; D364-T366 PolarHBondContact O-N 3.04Å; D364-T366 PolarHBondContact OD1-N 3.16Å; D364-T366 VanDerWaalsContact OD1-N 3.09Å; D364-T366 PolarHBondContact OD1-OG1 3.15Å; D364-L367 PolarHBondContact O-N 2.8Å; D364-L367 PolarHBondContact OD1-N 2.52Å; D364-A368 VanDerWaalsContact O-CB 3.26Å; D364-A368 WeakPolarHBondContact O-CB 3.41Å; D364-A368 PolarHBondContact O-N 3.26Å
365H96.6Very high98Very high99 Ų9931.5 Ų31.546%0.45818%0.176SC..Hα-helixtrans-49.7-50.3-174.2176.266.1000114.5Y355 A368 L369Y355-H365 AromaticContact CE2-ND1 3.66Å; Y355-H365 AromaticContact CZ-ND1 3.67Å; Y355-H365 PolarHBondContact OH-ND1 3.24Å; H365-A368 PolarHBondContact O-N 2.88Å; H365-L369 WeakPolarHBondContact CE1-CD1 3.34Å; H365-L369 WeakPolarHBondContact NE2-CD1 3.25Å; H365-L369 WeakPolarHBondContact O-CB 3.34Å; H365-L369 WeakPolarHBondContact O-CG 3.44Å; H365-L369 PolarHBondContact O-N 2.5Å
366T96.5Very high98Very high12 Ų1230 Ų307%0.07417%0.171CC..Hα-helixtrans-72.2-38.6-173.750.10000112.4R263 F334 L336 A341 D364 H370R263-T366 PolarHBondContact NH2-OG1 2.65Å; F334-T366 HydrophobicContact CE1-CG2 4.22Å; L336-T366 PolarHBondContact O-OG1 3.26Å; A341-T366 HydrophobicContact CB-CG2 4.11Å; D364-T366 PolarHBondContact O-N 3.04Å; D364-T366 PolarHBondContact OD1-N 3.16Å; D364-T366 VanDerWaalsContact OD1-N 3.09Å; D364-T366 PolarHBondContact OD1-OG1 3.15Å; T366-H370 PolarHBondContact O-N 3.36Å; T366-H370 VanDerWaalsContact O-N 3.14Å
367L97.1Very high97.9Very high0 Ų026.7 Ų26.70%015%0.153CC..Hα-helixtrans-70.7-38.4175.3-178.357.5000111.6F30 Y34 I259 V363 D364 H370 V371 F412F30-L367 HydrophobicContact CZ-CD1 4.43Å; F30-L367 HydrophobicContact CZ-CD2 4.27Å; F30-L367 HydrophobicContact CZ-CG 4.27Å; Y34-L367 HydrophobicContact CD2-CD2 4.08Å; Y34-L367 HydrophobicContact CE2-CD2 3.66Å; I259-L367 HydrophobicContact CD1-CD2 3.91Å; V363-L367 HydrophobicContact CG1-CB 3.87Å; V363-L367 HydrophobicContact CG1-CD2 3.94Å; V363-L367 HydrophobicContact CG1-CG 3.76Å; D364-L367 PolarHBondContact O-N 2.8Å; D364-L367 PolarHBondContact OD1-N 2.52Å; L367-H370 PolarHBondContact O-N 2.68Å; L367-V371 HydrophobicContact CD1-CG2 4.32Å; L367-V371 WeakPolarHBondContact O-CG2 3.47Å; L367-V371 PolarHBondContact O-N 3.33Å; L367-F412 HydrophobicContact CD1-CD1 4.34Å; L367-F412 HydrophobicContact CD1-CE1 3.8Å
368A98.2Very high97.9Very high0 Ų025.6 Ų25.60%015%0.145CC..Hα-helixtrans-61.7-44.617600000111.7Y355 L358 I359 V363 D364 H365 V371 A372Y355-A368 HydrophobicContact CD2-CB 3.92Å; Y355-A368 HydrophobicContact CE2-CB 4.05Å; L358-A368 HydrophobicContact CB-CB 3.77Å; L358-A368 HydrophobicContact CD1-CB 4.38Å; L358-A368 WeakPolarHBondContact CD1-O 3.49Å; I359-A368 HydrophobicContact CD1-CB 3.76Å; I359-A368 HydrophobicContact CG1-CB 4.19Å; V363-A368 HydrophobicContact CB-CB 4.36Å; V363-A368 HydrophobicContact CG1-CB 4.08Å; D364-A368 VanDerWaalsContact O-CB 3.26Å; D364-A368 WeakPolarHBondContact O-CB 3.41Å; D364-A368 PolarHBondContact O-N 3.26Å; H365-A368 PolarHBondContact O-N 2.88Å; A368-V371 PolarHBondContact O-N 2.91Å; A368-A372 VanDerWaalsContact O-CB 3.23Å; A368-A372 WeakPolarHBondContact O-CB 3.41Å; A368-A372 PolarHBondContact O-N 3.38Å
369L98.1Very high97.8Very high11 Ų1125.6 Ų25.66%0.05815%0.145CC..Hα-helixtrans-60.7-44.3174.7-80.6-179.9000112.4F334 L348 Y350 Y355 H365 A372 H373F334-L369 HydrophobicContact CD1-CB 4.37Å; F334-L369 HydrophobicContact CE1-CB 3.94Å; F334-L369 HydrophobicContact CE1-CD1 3.96Å; F334-L369 HydrophobicContact CE2-CD1 4.26Å; F334-L369 HydrophobicContact CZ-CB 4.23Å; F334-L369 HydrophobicContact CZ-CD1 3.51Å; L348-L369 HydrophobicContact CD2-CB 3.84Å; L348-L369 HydrophobicContact CD2-CD2 4.37Å; Y350-L369 HydrophobicContact CD1-CD2 3.78Å; Y350-L369 HydrophobicContact CD2-CD2 3.84Å; Y350-L369 HydrophobicContact CE1-CD2 3.66Å; Y350-L369 HydrophobicContact CE2-CD2 3.7Å; Y350-L369 HydrophobicContact CG-CD2 3.88Å; Y355-L369 HydrophobicContact CD2-CD2 3.66Å; Y355-L369 HydrophobicContact CD2-CG 3.96Å; Y355-L369 HydrophobicContact CE2-CD2 3.83Å; Y355-L369 HydrophobicContact CE2-CG 3.82Å; Y355-L369 HydrophobicContact CG-CD2 4.42Å; H365-L369 WeakPolarHBondContact CE1-CD1 3.34Å; H365-L369 WeakPolarHBondContact NE2-CD1 3.25Å; H365-L369 WeakPolarHBondContact O-CB 3.34Å; H365-L369 WeakPolarHBondContact O-CG 3.44Å; H365-L369 PolarHBondContact O-N 2.5Å; L369-A372 PolarHBondContact O-N 3.29Å; L369-H373 WeakPolarHBondContact O-CB 2.98Å; L369-H373 PolarHBondContact O-N 2.66Å
370H97.9Very high97.6Very high4 Ų422.7 Ų22.72%0.01913%0.13CC..Hα-helixtrans-58.2-52177.2173.473.9000111.7L336 T366 L367 H373 L374L336-H370 HydrophobicContact CD2-CB 3.36Å; T366-H370 PolarHBondContact O-N 3.36Å; T366-H370 VanDerWaalsContact O-N 3.14Å; L367-H370 PolarHBondContact O-N 2.68Å; H370-H373 WeakPolarHBondContact O-CB 3.45Å; H370-H373 PolarHBondContact O-N 3.05Å; H370-L374 WeakPolarHBondContact O-CG 3.28Å; H370-L374 PolarHBondContact O-N 2.73Å; H370-L374 VanDerWaalsContact O-N 3.16Å
371V98.3Very high97.3Very high4 Ų415.2 Ų15.22%0.02410%0.096CC..Hα-helixtrans-64.2-44.8-179.4177.40000110.8I27 F30 L358 L367 A368 H373 L374 F375I27-V371 HydrophobicContact CD1-CG1 3.94Å; F30-V371 HydrophobicContact CD1-CG1 4.21Å; F30-V371 HydrophobicContact CD1-CG2 4.29Å; F30-V371 HydrophobicContact CD2-CG1 4.48Å; F30-V371 HydrophobicContact CD2-CG2 4.22Å; F30-V371 HydrophobicContact CE1-CG2 3.87Å; F30-V371 HydrophobicContact CE2-CG2 3.78Å; F30-V371 HydrophobicContact CG-CG1 4.15Å; F30-V371 HydrophobicContact CG-CG2 4.45Å; F30-V371 HydrophobicContact CZ-CG2 3.6Å; L358-V371 HydrophobicContact CD1-CB 3.83Å; L358-V371 HydrophobicContact CD1-CG1 3.87Å; L358-V371 HydrophobicContact CD2-CG1 4.33Å; L367-V371 HydrophobicContact CD1-CG2 4.32Å; L367-V371 WeakPolarHBondContact O-CG2 3.47Å; L367-V371 PolarHBondContact O-N 3.33Å; A368-V371 PolarHBondContact O-N 2.91Å; V371-H373 PolarHBondContact O-N 2.88Å; V371-L374 PolarHBondContact O-N 3.34Å; V371-L374 VanDerWaalsContact O-N 3.1Å; V371-F375 HydrophobicContact CG1-CD2 4.16Å; V371-F375 HydrophobicContact CG1-CE2 4.11Å; V371-F375 VanDerWaalsContact O-CD2 3.3Å; V371-F375 WeakPolarHBondContact O-CD2 3.5Å; V371-F375 PolarHBondContact O-N 2.86Å
372A98.5Very high97.1Very high0 Ų014.4 Ų14.40%09%0.087CC..Hα-helixtrans-61.6-30.6177.100000113.2Y350 N351 L358 A368 L369Y350-A372 HydrophobicContact CD2-CB 4.27Å; N351-A372 PolarHBondContact N-O 3.41Å; L358-A372 HydrophobicContact CD1-CB 4.31Å; A368-A372 VanDerWaalsContact O-CB 3.23Å; A368-A372 WeakPolarHBondContact O-CB 3.41Å; A368-A372 PolarHBondContact O-N 3.38Å; L369-A372 PolarHBondContact O-N 3.29Å
373H98.4Very high96.7Very high8 Ų812.3 Ų12.34%0.0376%0.062CC..Hα-helixtrans-68-43172.3172.268.7000112.3S333 L348 V349 L369 H370 V371 F375 I376S333-H373 VanDerWaalsContact CB-NE2 3.26Å; S333-H373 WeakPolarHBondContact CB-NE2 3.44Å; S333-H373 PolarHBondContact OG-NE2 3.26Å; L348-H373 HydrophobicContact CD1-CB 3.92Å; L348-H373 HydrophobicContact CD2-CB 4.05Å; L348-H373 HydrophobicContact CG-CB 4.09Å; V349-H373 PolarHBondContact O-ND1 3.26Å; L369-H373 WeakPolarHBondContact O-CB 2.98Å; L369-H373 PolarHBondContact O-N 2.66Å; H370-H373 WeakPolarHBondContact O-CB 3.45Å; H370-H373 PolarHBondContact O-N 3.05Å; V371-H373 PolarHBondContact O-N 2.88Å; H373-F375 PolarHBondContact O-N 2.79Å; H373-I376 WeakPolarHBondContact O-CG1 3.43Å; H373-I376 WeakPolarHBondContact O-CG2 3.48Å; H373-I376 PolarHBondContact O-N 3.02Å
374L98.1Very high96.2Very high2 Ų213.9 Ų13.91%0.017%0.074CC..Hα-helixtrans-60.5-32.9178.7-60.2-179.2000112H370 V371 I376 R377 I402 N406H370-L374 WeakPolarHBondContact O-CG 3.28Å; H370-L374 PolarHBondContact O-N 2.73Å; H370-L374 VanDerWaalsContact O-N 3.16Å; V371-L374 PolarHBondContact O-N 3.34Å; V371-L374 VanDerWaalsContact O-N 3.1Å; L374-I376 VanDerWaalsContact C-N 3.3Å; L374-I376 PolarHBondContact O-N 3.08Å; L374-R377 WeakPolarHBondContact O-CG 3.01Å; L374-R377 PolarHBondContact O-N 3.27Å; L374-I402 HydrophobicContact CB-CG2 4.43Å; L374-I402 VanDerWaalsContact O-CG2 3.27Å; L374-I402 WeakPolarHBondContact O-CG2 3.29Å; L374-N406 HydrophobicContact CD2-CB 3.8Å; L374-N406 PolarHBondContact O-ND2 3.47Å
375F98.1Very high95.6Very high1 Ų115.5 Ų15.50%0.0048%0.08CC..THydrogen-bonded Turntrans-84.88.2-178.7-80.6-108.6000114.6Q23 I27 Y354 V371 H373 R377 F399 I402Q23-F375 HydrophobicContact CB-CD1 3.98Å; Q23-F375 HydrophobicContact CG-CD1 4.22Å; Q23-F375 PolarHBondContact NE2-O 2.84Å; Q23-F375 WeakPolarHBondContact O-CD1 3.21Å; Q23-F375 VanDerWaalsContact O-CE1 3.24Å; Q23-F375 WeakPolarHBondContact O-CE1 3.29Å; I27-F375 HydrophobicContact CD1-CB 4.26Å; I27-F375 HydrophobicContact CD1-CD1 3.84Å; I27-F375 HydrophobicContact CD1-CD2 3.88Å; I27-F375 HydrophobicContact CD1-CE1 4.1Å; I27-F375 HydrophobicContact CD1-CE2 4.13Å; I27-F375 HydrophobicContact CD1-CG 3.72Å; I27-F375 HydrophobicContact CD1-CZ 4.23Å; I27-F375 HydrophobicContact CG1-CD1 3.9Å; I27-F375 HydrophobicContact CG1-CE1 4.08Å; I27-F375 HydrophobicContact CG1-CG 4.27Å; Y354-F375 HydrophobicContact CD2-CB 3.7Å; Y354-F375 HydrophobicContact CE2-CB 4.04Å; V371-F375 HydrophobicContact CG1-CD2 4.16Å; V371-F375 HydrophobicContact CG1-CE2 4.11Å; V371-F375 VanDerWaalsContact O-CD2 3.3Å; V371-F375 WeakPolarHBondContact O-CD2 3.5Å; V371-F375 PolarHBondContact O-N 2.86Å; H373-F375 PolarHBondContact O-N 2.79Å; F375-R377 PolarHBondContact O-N 3.12Å; F375-F399 AromaticContact CE2-CD2 3.95Å; F375-F399 HydrophobicContact CE2-CD2 3.95Å; F375-F399 HydrophobicContact CE2-CE2 4.26Å; F375-F399 AromaticContact CZ-CD2 3.94Å; F375-F399 HydrophobicContact CZ-CD2 3.94Å; F375-I402 HydrophobicContact CD1-CG1 4.19Å; F375-I402 HydrophobicContact CD1-CG2 4.38Å; F375-I402 HydrophobicContact CD2-CB 4.45Å; F375-I402 HydrophobicContact CD2-CG2 3.83Å; F375-I402 HydrophobicContact CE1-CB 4.24Å; F375-I402 HydrophobicContact CE1-CG1 3.9Å; F375-I402 HydrophobicContact CE1-CG2 4.49Å; F375-I402 HydrophobicContact CE2-CB 4.12Å; F375-I402 HydrophobicContact CE2-CG2 3.96Å; F375-I402 HydrophobicContact CG-CG2 4.07Å; F375-I402 HydrophobicContact CZ-CB 4.02Å; F375-I402 HydrophobicContact CZ-CG1 4.17Å; F375-I402 HydrophobicContact CZ-CG2 4.3Å
376I97.9Very high94.8Very high7 Ų711.1 Ų11.14%0.0366%0.061CC..THydrogen-bonded Turntrans-72.9-12.2162.677.5-172.1000111.8F322 I324 V349 H373 L374F322-I376 HydrophobicContact CD2-CB 3.93Å; F322-I376 HydrophobicContact CD2-CG2 4.27Å; F322-I376 HydrophobicContact CE2-CB 4.01Å; F322-I376 HydrophobicContact CE2-CG2 4.09Å; F322-I376 HydrophobicContact CZ-CG2 4.48Å; I324-I376 HydrophobicContact CD1-CD1 4.21Å; I324-I376 HydrophobicContact CD1-CG1 4.21Å; I324-I376 HydrophobicContact CG1-CD1 4.21Å; I324-I376 HydrophobicContact CG2-CD1 3.83Å; V349-I376 HydrophobicContact CB-CD1 4.19Å; V349-I376 HydrophobicContact CG1-CD1 4Å; V349-I376 HydrophobicContact CG1-CG2 4.39Å; H373-I376 WeakPolarHBondContact O-CG1 3.43Å; H373-I376 WeakPolarHBondContact O-CG2 3.48Å; H373-I376 PolarHBondContact O-N 3.02Å; L374-I376 VanDerWaalsContact C-N 3.3Å; L374-I376 PolarHBondContact O-N 3.08Å
377R97.9Very high94Very high4 Ų413.7 Ų13.72%0.0157%0.074CC..SBendtrans-90.2139.6-179.5-54.5-56.2-178.7167.70.2110.5Q23 I324 K326 S327 R328 L374 F375 N406Q23-R377 PolarHBondContact NE2-O 3.16Å; I324-R377 VanDerWaalsContact CG2-CZ 3.47Å; I324-R377 VanDerWaalsContact CG2-NH2 3.31Å; K326-R377 PolarHBondContact O-NH1 3.38Å; K326-R377 PolarHBondContact O-NH2 3.3Å; S327-R377 PolarHBondContact O-NH2 2.91Å; R328-R377 HydrophobicContact CB-CG 4.39Å; L374-R377 WeakPolarHBondContact O-CG 3.01Å; L374-R377 PolarHBondContact O-N 3.27Å; F375-R377 PolarHBondContact O-N 3.12Å; R377-N406 WeakPolarHBondContact CG-OD1 3.5Å
378D97.5Very high93Very high33 Ų3320 Ų2018%0.17611%0.107CC..PPolyproline II helixtrans-69.9149.1166.9-60.2-42.9000110.8W12 R194 R328W12-D378 HydrophobicContact CH2-CB 3.93Å; W12-D378 HydrophobicContact CZ3-CB 4.23Å; R194-D378 IonicContact CZ-OD2 2.72Å; R194-D378 VanDerWaalsContact CZ-OD2 3.25Å; R194-D378 IonicContact NE-OD2 3.62Å; R194-D378 PolarHBondContact NE-OD2 3.44Å; R194-D378 IonicContact NH2-OD2 3.74Å; R194-D378 PolarHBondContact NH2-OD2 2.9Å; R328-D378 PolarHBondContact NH1-O 3.46Å; R328-D378 PolarHBondContact NH2-O 3.31Å; R328-D378 VanDerWaalsContact NH2-O 3.1Å
379P96.8Very high91.6Very high0 Ų022.2 Ų22.20%012%0.123CC..PPolyproline II helixtrans-64.2135.9164.930.5-34.3000109T15 A19 I22 V382 T401 I402T15-P379 HydrophobicContact CG2-CB 4.44Å; T15-P379 HydrophobicContact CG2-CG 4.13Å; T15-P379 WeakPolarHBondContact CG2-O 3.49Å; A19-P379 HydrophobicContact CB-CG 4.11Å; I22-P379 HydrophobicContact CB-CG 4.13Å; I22-P379 HydrophobicContact CG1-CG 4.37Å; I22-P379 HydrophobicContact CG2-CB 4.11Å; I22-P379 HydrophobicContact CG2-CG 4.13Å; P379-V382 HydrophobicContact CB-CG2 3.73Å; P379-V382 HydrophobicContact CG-CG2 4.25Å; P379-T401 HydrophobicContact CB-CG2 3.65Å; P379-I402 HydrophobicContact CB-CD1 3.86Å; P379-I402 HydrophobicContact CG-CD1 4.45Å
380I95.4Very high90.2Very high0 Ų025.3 Ų25.30%014%0.144CC..SBendtrans-118.3-3.7-177.446.876.2000113.4L187 N190 R328 T405 W407L187-I380 HydrophobicContact CD2-CD1 2.97Å; L187-I380 HydrophobicContact CD2-CG1 4.43Å; L187-I380 HydrophobicContact CG-CD1 4.36Å; N190-I380 VanDerWaalsContact CB-O 3.31Å; N190-I380 WeakPolarHBondContact CB-O 3.31Å; N190-I380 PolarHBondContact ND2-O 3.39Å; R328-I380 VanDerWaalsContact CZ-CG1 3.47Å; R328-I380 VanDerWaalsContact NH1-CG2 3.26Å; I380-T405 HydrophobicContact CD1-CG2 3.63Å; I380-T405 HydrophobicContact CG1-CG2 4.38Å; I380-W407 HydrophobicContact CD1-CH2 4.27Å
381S92.3Very high88.8Confident9 Ų934.6 Ų34.66%0.06319%0.187CC..  trans-148.6109170.5175.60000109
382V92.3Very high87.4Confident2 Ų242 Ų421%0.01223%0.227CC..  trans-128.2139.2177.6-178.20000108P9 L10 T15 I18 I22 P379 L387 T401P9-V382 WeakPolarHBondContact CA-O 3.49Å; L10-V382 HydrophobicContact CD1-CB 4.15Å; L10-V382 HydrophobicContact CD1-CG1 4.04Å; L10-V382 PolarHBondContact N-O 2.9Å; T15-V382 HydrophobicContact CG2-CG2 4Å; I18-V382 HydrophobicContact CD1-CG1 4.07Å; I22-V382 HydrophobicContact CD1-CG1 4.26Å; P379-V382 HydrophobicContact CB-CG2 3.73Å; P379-V382 HydrophobicContact CG-CG2 4.25Å; V382-L387 HydrophobicContact CG1-CD2 4.33Å; V382-T401 HydrophobicContact CG2-CG2 4.07Å
383F89.3Confident86.4Confident10 Ų1048 Ų484%0.04425%0.254CS..BIsolated β-bridgetrans-96.8138.2173.6-64.4-60.9000110.2T5 G7 S8 P9 H181 P182 R183 E385 S386T5-F383 WeakPolarHBondContact O-CE2 3.37Å; T5-F383 WeakPolarHBondContact O-CZ 3.48Å; G7-F383 VanDerWaalsContact C-CD1 3.42Å; G7-F383 WeakPolarHBondContact O-CD1 3.37Å; G7-F383 WeakPolarHBondContact O-CE1 3.47Å; S8-F383 WeakPolarHBondContact O-CA 3.35Å; P9-F383 HydrophobicContact CB-CD1 4.05Å; P9-F383 HydrophobicContact CB-CE1 3.89Å; H181-F383 AromaticContact CE1-CZ 3.69Å; P182-F383 HydrophobicContact CG-CE1 4.23Å; R183-F383 HydrophobicContact CB-CZ 4.24Å; F383-E385 PolarHBondContact O-N 3.15Å; F383-E385 VanDerWaalsContact O-N 3.1Å; F383-S386 WeakPolarHBondContact O-CB 3.38Å; F383-S386 PolarHBondContact O-N 2.63Å; F383-S386 VanDerWaalsContact O-N 3.08Å; F383-S386 PolarHBondContact O-OG 2.76Å
384S88.3Confident85.7Confident38 Ų3851.7 Ų51.727%0.26627%0.272SS..G310 helixtrans-56.6-29.8-178.766.70000113.3S8 S386 L387S8-S384 PolarHBondContact O-N 3.12Å; S384-S386 VanDerWaalsContact C-N 3.34Å; S384-L387 WeakPolarHBondContact O-CB 3.29Å; S384-L387 PolarHBondContact O-N 2.77Å
385E84.5Confident85.3Confident81 Ų8153.5 Ų53.538%0.37928%0.283SS..G310 helixtrans-68.8-33.1-178.2-64.783166.200111.5G7 S8 F383 L387 N388G7-E385 WeakPolarHBondContact CA-OE1 3.46Å; G7-E385 WeakPolarHBondContact CA-OE2 3.36Å; S8-E385 PolarHBondContact N-OE1 2.81Å; S8-E385 PolarHBondContact N-OE2 3.21Å; S8-E385 PolarHBondContact OG-OE1 2.79Å; F383-E385 PolarHBondContact O-N 3.15Å; F383-E385 VanDerWaalsContact O-N 3.1Å; E385-L387 PolarHBondContact O-N 2.94Å; E385-N388 PolarHBondContact O-N 3.27Å
386S79.6Confident84.9Confident8 Ų854.4 Ų54.46%0.05629%0.288CS..G310 helixtrans-64.5-17.6176.168.60000113.2F383 S384 N388 S389 E397F383-S386 WeakPolarHBondContact O-CB 3.38Å; F383-S386 PolarHBondContact O-N 2.63Å; F383-S386 VanDerWaalsContact O-N 3.08Å; F383-S386 PolarHBondContact O-OG 2.76Å; S384-S386 VanDerWaalsContact C-N 3.34Å; S386-N388 VanDerWaalsContact C-N 3.33Å; S386-S389 PolarHBondContact O-OG 3.15Å; S386-E397 VanDerWaalsContact CB-CD 3.44Å; S386-E397 WeakPolarHBondContact CB-OE1 3.35Å
387L79.5Confident84.5Confident66 Ų6656.5 Ų56.535%0.34630%0.298SS..G310 helixtrans-81.8-15.5176.7-52.1-179.9000113.1L10 I18 I22 V382 S384 E385L10-L387 HydrophobicContact CD1-CD1 4.16Å; I18-L387 HydrophobicContact CD1-CD1 3.86Å; I18-L387 HydrophobicContact CD1-CD2 3.65Å; I18-L387 HydrophobicContact CD1-CG 4.35Å; I22-L387 HydrophobicContact CD1-CD2 3.83Å; V382-L387 HydrophobicContact CG1-CD2 4.33Å; S384-L387 WeakPolarHBondContact O-CB 3.29Å; S384-L387 PolarHBondContact O-N 2.77Å; E385-L387 PolarHBondContact O-N 2.94Å
388N75.6Confident84.3Confident132 Ų13256.9 Ų56.971%0.70630%0.3SS*.G310 helixtrans-104.511.7-176.2-62.4-42.7000112.5E385 S386E385-N388 PolarHBondContact O-N 3.27Å; S386-N388 VanDerWaalsContact C-N 3.33Å
389S69Low84.2Confident47 Ų4755.5 Ų55.533%0.32929%0.293SS..  trans-56.8132.4177.3-64.30000110.3S386 E391S386-S389 PolarHBondContact O-OG 3.15Å; S389-E391 PolarHBondContact O-N 3.07Å
390P70.1Confident84Confident76 Ų7658.2 Ų58.249%0.49431%0.305SS..  trans-57.8136.2179.3-19.429.7000110.6N392 E393P390-N392 PolarHBondContact O-N 3.17Å; P390-E393 HydrophobicContact CB-CB 4.41Å; P390-E393 PolarHBondContact O-N 3.48Å
391E66.5Low83.9Confident199 Ų19959 Ų5993%0.9331%0.311SS*.THydrogen-bonded Turntrans-55.1-23-179.2-68.7-176.1166.600113.8S389S389-E391 PolarHBondContact O-N 3.07Å
392N69.7Low84.1Confident160 Ų16058.6 Ų58.686%0.85631%0.308SS*.THydrogen-bonded Turntrans-91.4-5.4-178.5-61.3-27.1000114P390P390-N392 PolarHBondContact O-N 3.17Å
393E77.2Confident84.2Confident125 Ų12559 Ų5958%0.58431%0.309SS*.SBendtrans-92.7121.5-178.8-168.5169-171.100110.7P390 T395P390-E393 HydrophobicContact CB-CB 4.41Å; P390-E393 PolarHBondContact O-N 3.48Å; E393-T395 PolarHBondContact O-N 3.43Å; E393-T395 VanDerWaalsContact O-N 3.17Å
394E85Confident84.4Confident86 Ų8658.7 Ų58.740%0.40231%0.309SS..  trans-73.4108.7176.2-68.3-177.9162.500110.6L32 K36 L417L32-E394 HydrophobicContact CD2-CB 4.01Å; L32-E394 HydrophobicContact CD2-CG 3.99Å; K36-E394 WeakPolarHBondContact CE-OE1 3.46Å; K36-E394 IonicContact NZ-OE1 3.86Å; K36-E394 PolarHBondContact NZ-OE1 2.94Å; K36-E394 IonicContact NZ-OE2 3.63Å; K36-E394 PolarHBondContact NZ-OE2 2.94Å; E394-L417 HydrophobicContact CB-CD1 4.18Å
395T88.1Confident84.8Confident39 Ų3957 Ų5724%0.23930%0.297CS..  trans-121163.4176.6-176.40000111.2E29 E393 E397E29-T395 VanDerWaalsContact CG-O 3.29Å; E29-T395 WeakPolarHBondContact CG-O 3.14Å; E393-T395 PolarHBondContact O-N 3.43Å; E393-T395 VanDerWaalsContact O-N 3.17Å; T395-E397 WeakPolarHBondContact OG1-CB 3.31Å; T395-E397 PolarHBondContact OG1-N 3.47Å
396V90.8Very high85.4Confident21 Ų2153.4 Ų53.413%0.12728%0.28CS..  trans-131.422.1172.6-62.10000111.1E29 L33 F399 E400 L417E29-V396 HydrophobicContact CB-CG1 4.33Å; E29-V396 WeakPolarHBondContact OE2-CA 3.18Å; L33-V396 HydrophobicContact CB-CG1 4.26Å; L33-V396 HydrophobicContact CD1-CG1 4.06Å; V396-F399 PolarHBondContact O-N 2.94Å; V396-E400 HydrophobicContact CG2-CG 4.41Å; V396-E400 WeakPolarHBondContact O-CB 3.28Å; V396-E400 WeakPolarHBondContact O-CG 3.37Å; V396-E400 PolarHBondContact O-N 3.3Å; V396-L417 HydrophobicContact CG1-CD1 3.6Å; V396-L417 HydrophobicContact CG1-CG 3.86Å
397E90Very high86.3Confident50 Ų5054 Ų5423%0.23428%0.281CS..Hα-helixtrans-68.2-37.3-175.1-175.3169.1-167.200112.5E29 S386 T395 E400 T401E29-E397 PolarHBondContact OE2-N 3.32Å; S386-E397 VanDerWaalsContact CB-CD 3.44Å; S386-E397 WeakPolarHBondContact CB-OE1 3.35Å; T395-E397 WeakPolarHBondContact OG1-CB 3.31Å; T395-E397 PolarHBondContact OG1-N 3.47Å; E397-E400 PolarHBondContact O-N 2.98Å; E397-T401 WeakPolarHBondContact O-CB 3.29Å; E397-T401 PolarHBondContact O-N 3.49Å; E397-T401 PolarHBondContact O-OG1 3.23Å
398N93.1Very high87.1Confident13 Ų1351.4 Ų51.47%0.0727%0.267CS..Hα-helixtrans-68.6-39.1176.3-63.1-60.4000110.7I22 Q25 E29 T401I22-N398 WeakPolarHBondContact CD1-OD1 3.36Å; I22-N398 HydrophobicContact CG2-CB 4.11Å; Q25-N398 HydrophobicContact CB-CB 4.24Å; E29-N398 WeakPolarHBondContact OE1-CB 3.2Å; E29-N398 PolarHBondContact OE1-ND2 3.13Å; E29-N398 WeakPolarHBondContact OE2-CA 3.48Å; E29-N398 VanDerWaalsContact OE2-CB 3.3Å; E29-N398 WeakPolarHBondContact OE2-CB 3.35Å; E29-N398 PolarHBondContact OE2-N 3.02Å; N398-T401 WeakPolarHBondContact O-CB 3.17Å; N398-T401 PolarHBondContact O-N 2.94Å
399F94.8Very high88.2Confident3 Ų345.1 Ų45.11%0.01323%0.234CC..Hα-helixtrans-60.3-51.6171.1171.1-103.2000111.7E29 F30 F375 V396 T401 I402 Q403 P414E29-F399 HydrophobicContact CB-CB 4.16Å; E29-F399 PolarHBondContact OE2-N 3.48Å; F30-F399 HydrophobicContact CB-CD2 3.81Å; F30-F399 HydrophobicContact CB-CE2 4.15Å; F30-F399 HydrophobicContact CB-CG 4.44Å; F30-F399 HydrophobicContact CD2-CD2 4.04Å; F30-F399 AromaticContact CD2-CE2 3.52Å; F30-F399 HydrophobicContact CD2-CE2 3.52Å; F30-F399 AromaticContact CD2-CZ 3.84Å; F30-F399 HydrophobicContact CD2-CZ 3.84Å; F30-F399 HydrophobicContact CE2-CE2 4.37Å; F30-F399 HydrophobicContact CE2-CZ 4.44Å; F30-F399 HydrophobicContact CG-CD2 4.35Å; F30-F399 HydrophobicContact CG-CE2 4.19Å; F375-F399 AromaticContact CE2-CD2 3.95Å; F375-F399 HydrophobicContact CE2-CD2 3.95Å; F375-F399 HydrophobicContact CE2-CE2 4.26Å; F375-F399 AromaticContact CZ-CD2 3.94Å; F375-F399 HydrophobicContact CZ-CD2 3.94Å; V396-F399 PolarHBondContact O-N 2.94Å; F399-T401 VanDerWaalsContact C-N 3.25Å; F399-T401 PolarHBondContact O-N 3.29Å; F399-I402 PolarHBondContact O-N 3.24Å; F399-Q403 HydrophobicContact CD1-CB 4.4Å; F399-Q403 HydrophobicContact CE1-CB 3.94Å; F399-Q403 HydrophobicContact CE1-CG 3.96Å; F399-Q403 HydrophobicContact CE2-CB 4.23Å; F399-Q403 HydrophobicContact CZ-CB 3.84Å; F399-Q403 HydrophobicContact CZ-CG 3.88Å; F399-Q403 WeakPolarHBondContact O-CB 3.24Å; F399-Q403 PolarHBondContact O-N 3.48Å; F399-P414 HydrophobicContact CE1-CG 3.96Å; F399-P414 HydrophobicContact CZ-CG 3.87Å
400E92.8Very high89.6Confident57 Ų5742.9 Ų42.927%0.26622%0.218SC..Hα-helixtrans-64.4-28.8-179.3-77-64.3162.300112.9V396 E397 I402 S404V396-E400 HydrophobicContact CG2-CG 4.41Å; V396-E400 WeakPolarHBondContact O-CB 3.28Å; V396-E400 WeakPolarHBondContact O-CG 3.37Å; V396-E400 PolarHBondContact O-N 3.3Å; E397-E400 PolarHBondContact O-N 2.98Å; E400-I402 VanDerWaalsContact C-N 3.31Å; E400-I402 PolarHBondContact O-N 3.21Å; E400-S404 WeakPolarHBondContact O-CB 3.49Å; E400-S404 PolarHBondContact O-N 3.24Å; E400-S404 PolarHBondContact O-OG 2.97Å
401T93Very high91Very high18 Ų1840 Ų4011%0.1120%0.197CC..Hα-helixtrans-58.3-43174-67.40000111.7I22 P379 V382 E397 N398 F399 T405I22-T401 HydrophobicContact CG2-CG2 4.38Å; P379-T401 HydrophobicContact CB-CG2 3.65Å; V382-T401 HydrophobicContact CG2-CG2 4.07Å; E397-T401 WeakPolarHBondContact O-CB 3.29Å; E397-T401 PolarHBondContact O-N 3.49Å; E397-T401 PolarHBondContact O-OG1 3.23Å; N398-T401 WeakPolarHBondContact O-CB 3.17Å; N398-T401 PolarHBondContact O-N 2.94Å; F399-T401 VanDerWaalsContact C-N 3.25Å; F399-T401 PolarHBondContact O-N 3.29Å; T401-T405 WeakPolarHBondContact O-CG2 3.26Å; T401-T405 PolarHBondContact O-OG1 2.92Å
402I96.1Very high92.4Very high0 Ų030.7 Ų30.70%015%0.154CC..Hα-helixtrans-81.4-46.8177.6-58.9-57.4000111.2Q23 L374 F375 P379 F399 E400 S404 T405 N406Q23-I402 HydrophobicContact CG-CD1 4.45Å; L374-I402 HydrophobicContact CB-CG2 4.43Å; L374-I402 VanDerWaalsContact O-CG2 3.27Å; L374-I402 WeakPolarHBondContact O-CG2 3.29Å; F375-I402 HydrophobicContact CD1-CG1 4.19Å; F375-I402 HydrophobicContact CD1-CG2 4.38Å; F375-I402 HydrophobicContact CD2-CB 4.45Å; F375-I402 HydrophobicContact CD2-CG2 3.83Å; F375-I402 HydrophobicContact CE1-CB 4.24Å; F375-I402 HydrophobicContact CE1-CG1 3.9Å; F375-I402 HydrophobicContact CE1-CG2 4.49Å; F375-I402 HydrophobicContact CE2-CB 4.12Å; F375-I402 HydrophobicContact CE2-CG2 3.96Å; F375-I402 HydrophobicContact CG-CG2 4.07Å; F375-I402 HydrophobicContact CZ-CB 4.02Å; F375-I402 HydrophobicContact CZ-CG1 4.17Å; F375-I402 HydrophobicContact CZ-CG2 4.3Å; P379-I402 HydrophobicContact CB-CD1 3.86Å; P379-I402 HydrophobicContact CG-CD1 4.45Å; F399-I402 PolarHBondContact O-N 3.24Å; E400-I402 VanDerWaalsContact C-N 3.31Å; E400-I402 PolarHBondContact O-N 3.21Å; I402-S404 PolarHBondContact O-N 2.78Å; I402-T405 PolarHBondContact O-N 3.18Å; I402-T405 PolarHBondContact O-OG1 3.08Å; I402-N406 PolarHBondContact O-N 2.86Å; I402-N406 PolarHBondContact O-ND2 2.98Å
403Q95Very high93.7Very high9 Ų924.4 Ų24.44%0.04212%0.119CC..Hα-helixtrans-59.4-47.2-178.3172.3642.300112.2F399 T405 N406 R411 F412F399-Q403 HydrophobicContact CD1-CB 4.4Å; F399-Q403 HydrophobicContact CE1-CB 3.94Å; F399-Q403 HydrophobicContact CE1-CG 3.96Å; F399-Q403 HydrophobicContact CE2-CB 4.23Å; F399-Q403 HydrophobicContact CZ-CB 3.84Å; F399-Q403 HydrophobicContact CZ-CG 3.88Å; F399-Q403 WeakPolarHBondContact O-CB 3.24Å; F399-Q403 PolarHBondContact O-N 3.48Å; Q403-T405 PolarHBondContact O-N 3.39Å; Q403-N406 PolarHBondContact O-N 3.28Å; Q403-R411 PolarHBondContact O-NH2 3.34Å; Q403-F412 PolarHBondContact NE2-O 2.69Å
404S94Very high94.6Very high5 Ų518.6 Ų18.64%0.0359%0.092CC..THydrogen-bonded Turntrans-70.7-17.2-176.270.70000113.6R183 E400 I402 W407 R411R183-S404 PolarHBondContact NH2-OG 3.02Å; E400-S404 WeakPolarHBondContact O-CB 3.49Å; E400-S404 PolarHBondContact O-N 3.24Å; E400-S404 PolarHBondContact O-OG 2.97Å; I402-S404 PolarHBondContact O-N 2.78Å; S404-W407 PolarHBondContact O-NE1 2.96Å; S404-W407 VanDerWaalsContact O-NE1 3.1Å; S404-R411 PolarHBondContact O-NH2 2.94Å
405T95.9Very high95Very high2 Ų214.5 Ų14.51%0.0127%0.073CC..THydrogen-bonded Turntrans-106.76.3179.761.30000113.5R328 I380 T401 I402 Q403 W407R328-T405 PolarHBondContact NE-O 2.95Å; R328-T405 PolarHBondContact NH2-OG1 2.79Å; I380-T405 HydrophobicContact CD1-CG2 3.63Å; I380-T405 HydrophobicContact CG1-CG2 4.38Å; T401-T405 WeakPolarHBondContact O-CG2 3.26Å; T401-T405 PolarHBondContact O-OG1 2.92Å; I402-T405 PolarHBondContact O-N 3.18Å; I402-T405 PolarHBondContact O-OG1 3.08Å; Q403-T405 PolarHBondContact O-N 3.39Å; T405-W407 HydrophobicContact CG2-CH2 4.12Å; T405-W407 HydrophobicContact CG2-CZ2 3.99Å; T405-W407 VanDerWaalsContact O-CZ3 3.3Å; T405-W407 WeakPolarHBondContact O-CZ3 3.41Å
406N97.6Very high95.2Very high6 Ų614.8 Ų14.83%0.0328%0.075CC..  trans-96.4107157.4-77.8-88.1000107.5L374 R377 I402 Q403 R411L374-N406 HydrophobicContact CD2-CB 3.8Å; L374-N406 PolarHBondContact O-ND2 3.47Å; R377-N406 WeakPolarHBondContact CG-OD1 3.5Å; I402-N406 PolarHBondContact O-N 2.86Å; I402-N406 PolarHBondContact O-ND2 2.98Å; Q403-N406 PolarHBondContact O-N 3.28Å; N406-R411 PolarHBondContact O-NH2 2.69Å
407W97.9Very high95.2Very high19 Ų1915 Ų157%0.0728%0.076CC..EExtended strand (participates in β ladder)trans-10485.2-173.1-61-79.5000110M245 V304 R328 F329 A330 I380 S404 T405M245-W407 HydrophobicContact CE-CD2 3.79Å; M245-W407 HydrophobicContact CE-CE3 4.06Å; M245-W407 HydrophobicContact CE-CG 4.24Å; M245-W407 HydrophobicContact CE-CH2 4.31Å; M245-W407 HydrophobicContact CE-CZ2 4.04Å; M245-W407 HydrophobicContact CE-CZ3 4.3Å; V304-W407 HydrophobicContact CB-CZ3 4.03Å; V304-W407 HydrophobicContact CG1-CZ3 4.43Å; V304-W407 HydrophobicContact CG2-CE3 3.89Å; V304-W407 HydrophobicContact CG2-CZ3 3.91Å; R328-W407 HydrophobicContact CG-CE3 3.93Å; R328-W407 HydrophobicContact CG-CZ3 3.74Å; R328-W407 PolarHBondContact O-N 3.38Å; F329-W407 VanDerWaalsContact CA-O 3.23Å; F329-W407 WeakPolarHBondContact CA-O 3.28Å; F329-W407 HydrophobicContact CB-CB 4.02Å; F329-W407 HydrophobicContact CB-CE3 4.26Å; F329-W407 HydrophobicContact CD2-CB 3.23Å; F329-W407 HydrophobicContact CD2-CD2 4.41Å; F329-W407 AromaticContact CD2-CG 3.92Å; F329-W407 HydrophobicContact CD2-CG 3.92Å; F329-W407 HydrophobicContact CE2-CB 3.82Å; F329-W407 HydrophobicContact CG-CB 3.83Å; A330-W407 PolarHBondContact N-O 2.92Å; I380-W407 HydrophobicContact CD1-CH2 4.27Å; S404-W407 PolarHBondContact O-NE1 2.96Å; S404-W407 VanDerWaalsContact O-NE1 3.1Å; T405-W407 HydrophobicContact CG2-CH2 4.12Å; T405-W407 HydrophobicContact CG2-CZ2 3.99Å; T405-W407 VanDerWaalsContact O-CZ3 3.3Å; T405-W407 WeakPolarHBondContact O-CZ3 3.41Å
408Q97.7Very high95.1Very high13 Ų1319.8 Ų19.86%0.06110%0.103CC..EExtended strand (participates in β ladder)trans-92.9172.6-176.3-69.5-178.7-47.900113.6A330 V332 M410 R428A330-Q408 CarbonylContact O-C 3.53Å; A330-Q408 WeakPolarHBondContact O-CA 3.43Å; V332-Q408 HydrophobicContact CG1-CB 4.26Å; Q408-M410 VanDerWaalsContact C-N 3.33Å; Q408-M410 VanDerWaalsContact CB-O 3.25Å; Q408-M410 WeakPolarHBondContact CB-O 3.49Å; Q408-R428 WeakPolarHBondContact O-CD 3.23Å; Q408-R428 PolarHBondContact O-NE 2.82Å; Q408-R428 VanDerWaalsContact O-NE 3.12Å
409S98.3Very high95Very high0 Ų020.7 Ų20.70%011%0.11CC..SBendtrans-67.2-35.3174.257.40000112.4W297 A330 V332 R428 P429W297-S409 VanDerWaalsContact CH2-CA 3.42Å; A330-S409 PolarHBondContact O-N 2.81Å; V332-S409 PolarHBondContact N-OG 3.03Å; S409-R428 WeakPolarHBondContact O-CB 3.4Å; S409-R428 PolarHBondContact O-N 2.77Å; S409-R428 VanDerWaalsContact O-N 3.1Å; S409-P429 WeakPolarHBondContact O-CD 3.45Å
410M98.4Very high94.7Very high0 Ų024.5 Ų24.50%014%0.137CC..EExtended strand (participates in β ladder)trans-117.3143.9164.3-60.6-61.4-63.600109Y266 L269 A270 C273 V332 Q408 V425 E426 F427Y266-M410 HydrophobicContact CD2-CB 3.59Å; Y266-M410 HydrophobicContact CE2-CB 3.47Å; Y266-M410 VanDerWaalsContact CE2-CB 3.47Å; Y266-M410 WeakPolarHBondContact CE2-O 3.4Å; Y266-M410 HydrophobicContact CG-CB 4.3Å; L269-M410 HydrophobicContact CB-CE 3.67Å; L269-M410 HydrophobicContact CB-SD 3.96Å; L269-M410 HydrophobicContact CD1-CE 4.14Å; A270-M410 HydrophobicContact CB-CG 3.97Å; C273-M410 VanDerWaalsContact SG-SD 3.65Å; V332-M410 HydrophobicContact CG1-CB 3.75Å; V332-M410 HydrophobicContact CG1-CG 4.28Å; Q408-M410 VanDerWaalsContact C-N 3.33Å; Q408-M410 VanDerWaalsContact CB-O 3.25Å; Q408-M410 WeakPolarHBondContact CB-O 3.49Å; M410-V425 HydrophobicContact CE-CB 4.41Å; M410-E426 WeakPolarHBondContact CA-O 3.35Å; M410-F427 HydrophobicContact CE-CB 4.32Å; M410-F427 HydrophobicContact CE-CD2 4.1Å; M410-F427 HydrophobicContact SD-CB 4.14Å; M410-F427 HydrophobicContact SD-CD2 3.39Å; M410-F427 WeakPolarHBondContact SD-CD2 3.32Å; M410-F427 HydrophobicContact SD-CE2 4.07Å; M410-F427 HydrophobicContact SD-CG 4.05Å
411R98.2Very high94.7Very high14 Ų1424.6 Ų24.65%0.05314%0.139CC..EExtended strand (participates in β ladder)trans-118.5124.2168.8-177.4-179.8-85.2165.5-12110.3Q403 S404 N406 K413 V425 E426Q403-R411 PolarHBondContact O-NH2 3.34Å; S404-R411 PolarHBondContact O-NH2 2.94Å; N406-R411 PolarHBondContact O-NH2 2.69Å; R411-K413 HydrophobicContact CB-CG 4.45Å; R411-K413 HydrophobicContact CG-CG 3.78Å; R411-V425 CarbonylContact O-C 3.44Å; R411-V425 WeakPolarHBondContact O-CA 3.36Å; R411-E426 HydrophobicContact CB-CB 4.2Å; R411-E426 PolarHBondContact N-O 3.41Å; R411-E426 IonicContact NH1-OE2 3.66Å; R411-E426 PolarHBondContact O-N 3.09Å
412F97.9Very high94.7Very high5 Ų523.8 Ų23.82%0.02213%0.134CC..EExtended strand (participates in β ladder)trans-84.5117169.6-178.8-110.5000108.3I259 A262 R263 Y266 L336 L367 Q403 P414 W423 V425I259-F412 HydrophobicContact CD1-CZ 4.36Å; I259-F412 HydrophobicContact CG1-CZ 3.93Å; A262-F412 HydrophobicContact CB-CD2 4.32Å; A262-F412 HydrophobicContact CB-CE2 3.7Å; R263-F412 HydrophobicContact CG-CE2 4.04Å; R263-F412 HydrophobicContact CG-CZ 4.26Å; Y266-F412 HydrophobicContact CD2-CB 3.76Å; Y266-F412 HydrophobicContact CE2-CB 3.89Å; L336-F412 HydrophobicContact CD1-CB 3.8Å; L336-F412 HydrophobicContact CD1-CD1 4.12Å; L336-F412 HydrophobicContact CD1-CD2 3.88Å; L336-F412 HydrophobicContact CD1-CE2 4.44Å; L336-F412 HydrophobicContact CD1-CG 3.68Å; L367-F412 HydrophobicContact CD1-CD1 4.34Å; L367-F412 HydrophobicContact CD1-CE1 3.8Å; Q403-F412 PolarHBondContact NE2-O 2.69Å; F412-P414 WeakPolarHBondContact O-CD 3.32Å; F412-W423 HydrophobicContact CD1-CZ3 4.46Å; F412-W423 AromaticContact CE1-CE3 3.74Å; F412-W423 HydrophobicContact CE1-CE3 3.74Å; F412-W423 HydrophobicContact CE1-CH2 4.5Å; F412-W423 AromaticContact CE1-CZ3 3.39Å; F412-W423 HydrophobicContact CE1-CZ3 3.39Å; F412-W423 AromaticContact CE2-CE3 3.98Å; F412-W423 HydrophobicContact CE2-CE3 3.98Å; F412-W423 HydrophobicContact CE2-CZ3 4.46Å; F412-W423 HydrophobicContact CZ-CD2 4.38Å; F412-W423 AromaticContact CZ-CE3 3.3Å; F412-W423 HydrophobicContact CZ-CE3 3.3Å; F412-W423 AromaticContact CZ-CZ3 3.4Å; F412-W423 HydrophobicContact CZ-CZ3 3.4Å; F412-V425 HydrophobicContact CD2-CG1 4.34Å
413K96.6Very high94.7Very high28 Ų2823.9 Ų23.912%0.12213%0.134CC..EExtended strand (participates in β ladder)trans-113.3105.5-169.5-68.7170.275.5114.40109.4T253 R411 R424 E426T253-K413 HydrophobicContact CG2-CD 4.33Å; R411-K413 HydrophobicContact CB-CG 4.45Å; R411-K413 HydrophobicContact CG-CG 3.78Å; K413-R424 HydrophobicContact CB-CB 3.9Å; K413-R424 PolarHBondContact N-O 3.46Å; K413-R424 PolarHBondContact O-N 3.45Å; K413-E426 HydrophobicContact CD-CB 3.73Å; K413-E426 IonicContact NZ-OE1 2.67Å; K413-E426 PolarHBondContact NZ-OE1 2.77Å
414P95.7Very high94.8Very high3 Ų325.7 Ų25.72%0.01914%0.141CC..PPolyproline II helixtrans-59.4156.8172.8-20.332.1000111.9F30 L33 F399 F412 W423 R424F30-P414 HydrophobicContact CE2-CG 4.32Å; L33-P414 HydrophobicContact CD1-CB 3.95Å; L33-P414 HydrophobicContact CD2-CB 3.44Å; L33-P414 VanDerWaalsContact CD2-CB 3.44Å; L33-P414 HydrophobicContact CG-CB 4.39Å; F399-P414 HydrophobicContact CE1-CG 3.96Å; F399-P414 HydrophobicContact CZ-CG 3.87Å; F412-P414 WeakPolarHBondContact O-CD 3.32Å; P414-W423 HydrophobicContact CB-CE3 4.4Å; P414-W423 HydrophobicContact CB-CH2 4.16Å; P414-W423 HydrophobicContact CB-CZ3 3.78Å; P414-W423 HydrophobicContact CG-CZ3 4.08Å; P414-R424 PolarHBondContact O-NH2 3.48Å
415P94Very high95Very high0 Ų025.5 Ų25.50%014%0.139CC..PPolyproline II helixtrans-66.6136.7173.9-17.329.6000110.9L33 L37 I421 W423L33-P415 VanDerWaalsContact CD1-O 3.31Å; L33-P415 WeakPolarHBondContact CD1-O 3.41Å; L37-P415 HydrophobicContact CB-CB 4.46Å; L37-P415 HydrophobicContact CB-CG 4.19Å; L37-P415 HydrophobicContact CD1-CB 3.77Å; L37-P415 HydrophobicContact CD1-CG 4.38Å; L37-P415 WeakPolarHBondContact CD1-O 3.39Å; P415-I421 WeakPolarHBondContact CB-O 3.44Å; P415-W423 HydrophobicContact CG-CD2 3.99Å; P415-W423 HydrophobicContact CG-CG 4Å; P415-W423 HydrophobicContact CG-CZ2 4.43Å
416P92Very high95.2Very high45 Ų4525.4 Ų25.429%0.29214%0.139SC..PPolyproline II helixtrans-63.8142.5171.1-17.430.3000110.9S419 I421P416-S419 WeakPolarHBondContact CD-OG 3.28Å; P416-S419 PolarHBondContact O-OG 2.82Å; P416-I421 HydrophobicContact CG-CD1 4.31Å
417L89.7Confident95.2Very high26 Ų2625.2 Ų25.214%0.13614%0.138CC..THydrogen-bonded Turntrans-53.9150.5168.7-68.6-177.2000110.4L32 K36 L37 E394 V396 S419L32-L417 HydrophobicContact CD2-CD1 4.38Å; K36-L417 HydrophobicContact CD-CD2 4.21Å; L37-L417 HydrophobicContact CD1-CD2 4.29Å; E394-L417 HydrophobicContact CB-CD1 4.18Å; V396-L417 HydrophobicContact CG1-CD1 3.6Å; V396-L417 HydrophobicContact CG1-CG 3.86Å; L417-S419 PolarHBondContact O-N 3.43Å
418N89Confident95.3Very high150 Ų15025.2 Ų25.280%0.80214%0.138SC*.THydrogen-bonded Turntrans55.522.7174.5-54-36.9000115.2
419S89.8Confident95.3Very high31 Ų3124.6 Ų24.622%0.21714%0.135CC..SBendtrans-119.2163.5177.680.70000112.2R40 P416 L417 I421R40-S419 PolarHBondContact NH1-O 3.49Å; R40-S419 PolarHBondContact NH2-O 2.85Å; R40-S419 VanDerWaalsContact NH2-O 3.15Å; P416-S419 WeakPolarHBondContact CD-OG 3.28Å; P416-S419 PolarHBondContact O-OG 2.82Å; L417-S419 PolarHBondContact O-N 3.43Å; S419-I421 VanDerWaalsContact C-N 3.34Å; S419-I421 PolarHBondContact OG-N 3.21Å
420S89.5Confident95.3Very high84 Ų8424.6 Ų24.659%0.58714%0.135SC*.SBendtrans-87.90.7172.867.70000113.9K42K42-S420 WeakPolarHBondContact CE-O 3.4Å; K42-S420 PolarHBondContact NZ-O 2.74Å
421I92.6Very high95.3Very high59 Ų5924.7 Ų24.730%0.30314%0.135SC..  trans-72.7144.8-175.6-64.2169.2000110.2R40 P415 P416 S419 R424R40-I421 VanDerWaalsContact CD-O 3.25Å; R40-I421 WeakPolarHBondContact CD-O 3.25Å; R40-I421 PolarHBondContact NH1-O 3.49Å; P415-I421 WeakPolarHBondContact CB-O 3.44Å; P416-I421 HydrophobicContact CG-CD1 4.31Å; S419-I421 VanDerWaalsContact C-N 3.34Å; S419-I421 PolarHBondContact OG-N 3.21Å; I421-R424 HydrophobicContact CG2-CG 4.39Å
422G93.8Very high95.3Very high1 Ų124 Ų241%0.0113%0.133CC..  trans-94.7-171.2176.800000113.9
423W96.1Very high95.3Very high1 Ų123.8 Ų23.80%0.00413%0.132CC..  trans-66.6134171.5-68.289.1000109.2L33 Y34 L37 Q255 A256 I259 A262 F412 P414 P415L33-W423 HydrophobicContact CD2-CH2 4.4Å; Y34-W423 HydrophobicContact CD2-CH2 4.35Å; L37-W423 PolarHBondContact O-NE1 2.94Å; Q255-W423 WeakPolarHBondContact CA-O 3.36Å; A256-W423 PolarHBondContact N-O 2.83Å; I259-W423 HydrophobicContact CB-CD2 3.92Å; I259-W423 HydrophobicContact CB-CG 4.05Å; I259-W423 HydrophobicContact CB-CZ2 4.41Å; I259-W423 HydrophobicContact CD1-CD2 4.25Å; I259-W423 HydrophobicContact CD1-CE3 4.25Å; I259-W423 HydrophobicContact CD1-CH2 3.65Å; I259-W423 HydrophobicContact CD1-CZ2 3.64Å; I259-W423 HydrophobicContact CD1-CZ3 3.97Å; I259-W423 HydrophobicContact CG1-CD2 3.87Å; I259-W423 HydrophobicContact CG1-CE3 4.01Å; I259-W423 HydrophobicContact CG1-CG 4.44Å; I259-W423 HydrophobicContact CG1-CH2 4.31Å; I259-W423 HydrophobicContact CG1-CZ2 4.18Å; I259-W423 HydrophobicContact CG1-CZ3 4.23Å; A262-W423 HydrophobicContact CB-CB 3.85Å; F412-W423 HydrophobicContact CD1-CZ3 4.46Å; F412-W423 AromaticContact CE1-CE3 3.74Å; F412-W423 HydrophobicContact CE1-CE3 3.74Å; F412-W423 HydrophobicContact CE1-CH2 4.5Å; F412-W423 AromaticContact CE1-CZ3 3.39Å; F412-W423 HydrophobicContact CE1-CZ3 3.39Å; F412-W423 AromaticContact CE2-CE3 3.98Å; F412-W423 HydrophobicContact CE2-CE3 3.98Å; F412-W423 HydrophobicContact CE2-CZ3 4.46Å; F412-W423 HydrophobicContact CZ-CD2 4.38Å; F412-W423 AromaticContact CZ-CE3 3.3Å; F412-W423 HydrophobicContact CZ-CE3 3.3Å; F412-W423 AromaticContact CZ-CZ3 3.4Å; F412-W423 HydrophobicContact CZ-CZ3 3.4Å; P414-W423 HydrophobicContact CB-CE3 4.4Å; P414-W423 HydrophobicContact CB-CH2 4.16Å; P414-W423 HydrophobicContact CB-CZ3 3.78Å; P414-W423 HydrophobicContact CG-CZ3 4.08Å; P415-W423 HydrophobicContact CG-CD2 3.99Å; P415-W423 HydrophobicContact CG-CG 4Å; P415-W423 HydrophobicContact CG-CZ2 4.43Å
424R97.5Very high95.4Very high48 Ų4822.5 Ų22.518%0.18113%0.126CC..EExtended strand (participates in β ladder)trans-127.8155.4-175-68.8164.3-64.7165.64.4110.4T253 F254 Q255 K413 P414 I421T253-R424 HydrophobicContact CG2-CB 4.07Å; T253-R424 HydrophobicContact CG2-CG 4.29Å; F254-R424 VanDerWaalsContact O-CA 3.3Å; F254-R424 WeakPolarHBondContact O-CA 3.46Å; Q255-R424 HydrophobicContact CB-CG 4.04Å; Q255-R424 HydrophobicContact CG-CG 4.35Å; K413-R424 HydrophobicContact CB-CB 3.9Å; K413-R424 PolarHBondContact N-O 3.46Å; K413-R424 PolarHBondContact O-N 3.45Å; P414-R424 PolarHBondContact O-NH2 3.48Å; I421-R424 HydrophobicContact CG2-CG 4.39Å
425V97.9Very high95.5Very high0 Ų023 Ų230%013%0.13CC..EExtended strand (participates in β ladder)trans-125.2149.6164.3-62.80000108.9T253 F254 A262 L265 M410 R411 F412T253-V425 WeakPolarHBondContact CA-O 3.15Å; F254-V425 HydrophobicContact CD2-CG2 3.63Å; F254-V425 HydrophobicContact CE1-CG2 4.38Å; F254-V425 HydrophobicContact CE2-CG2 3.06Å; F254-V425 HydrophobicContact CG-CG2 4.46Å; F254-V425 HydrophobicContact CZ-CG2 3.46Å; F254-V425 VanDerWaalsContact CZ-CG2 3.46Å; F254-V425 PolarHBondContact N-O 2.85Å; F254-V425 PolarHBondContact O-N 3.04Å; A262-V425 HydrophobicContact CB-CG1 4.25Å; A262-V425 WeakPolarHBondContact O-CG1 3.15Å; L265-V425 HydrophobicContact CB-CG2 4.1Å; M410-V425 HydrophobicContact CE-CB 4.41Å; R411-V425 CarbonylContact O-C 3.44Å; R411-V425 WeakPolarHBondContact O-CA 3.36Å; F412-V425 HydrophobicContact CD2-CG1 4.34Å
426E98.6Very high95.6Very high1 Ų123.6 Ų23.61%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-128.2122.2-177.7175.9-175-88.400109I252 T253 M410 R411 K413 R428I252-E426 CarbonylContact O-C 3.45Å; I252-E426 WeakPolarHBondContact O-CA 3.4Å; T253-E426 WeakPolarHBondContact OG1-CB 3.14Å; T253-E426 WeakPolarHBondContact OG1-CG 3.45Å; T253-E426 PolarHBondContact OG1-OE1 3.08Å; M410-E426 WeakPolarHBondContact CA-O 3.35Å; R411-E426 HydrophobicContact CB-CB 4.2Å; R411-E426 PolarHBondContact N-O 3.41Å; R411-E426 IonicContact NH1-OE2 3.66Å; R411-E426 PolarHBondContact O-N 3.09Å; K413-E426 HydrophobicContact CD-CB 3.73Å; K413-E426 IonicContact NZ-OE1 2.67Å; K413-E426 PolarHBondContact NZ-OE1 2.77Å; E426-R428 HydrophobicContact CB-CG 4.5Å; E426-R428 HydrophobicContact CG-CG 3.68Å; E426-R428 VanDerWaalsContact OE2-CD 3.3Å; E426-R428 WeakPolarHBondContact OE2-CD 3.41Å; E426-R428 IonicContact OE2-CZ 3.76Å; E426-R428 IonicContact OE2-NE 3.83Å; E426-R428 IonicContact OE2-NH1 2.71Å; E426-R428 PolarHBondContact OE2-NH1 3.26Å
427F98.7Very high95.8Very high1 Ų122.1 Ų22.10%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-93.1115176.6-167.7-82.8000108.5Q251 I252 L269 M272 V276 M410 P429 T430 I446Q251-F427 WeakPolarHBondContact CA-O 3.42Å; I252-F427 HydrophobicContact CD1-CD1 4.49Å; I252-F427 PolarHBondContact N-O 2.91Å; I252-F427 PolarHBondContact O-N 2.73Å; L269-F427 HydrophobicContact CB-CD2 4.07Å; L269-F427 HydrophobicContact CB-CE2 4.27Å; M272-F427 HydrophobicContact CB-CE2 4.36Å; V276-F427 HydrophobicContact CB-CE1 3.9Å; V276-F427 HydrophobicContact CB-CZ 3.75Å; V276-F427 HydrophobicContact CG1-CE1 3.77Å; V276-F427 HydrophobicContact CG1-CZ 4.15Å; V276-F427 HydrophobicContact CG2-CE1 4.14Å; V276-F427 HydrophobicContact CG2-CZ 3.7Å; M410-F427 HydrophobicContact CE-CB 4.32Å; M410-F427 HydrophobicContact CE-CD2 4.1Å; M410-F427 HydrophobicContact SD-CB 4.14Å; M410-F427 HydrophobicContact SD-CD2 3.39Å; M410-F427 WeakPolarHBondContact SD-CD2 3.32Å; M410-F427 HydrophobicContact SD-CE2 4.07Å; M410-F427 HydrophobicContact SD-CG 4.05Å; F427-P429 HydrophobicContact CD1-CG 4.06Å; F427-P429 HydrophobicContact CE1-CG 3.47Å; F427-P429 VanDerWaalsContact CE1-CG 3.47Å; F427-P429 HydrophobicContact CZ-CG 3.78Å; F427-T430 WeakPolarHBondContact CE1-OG1 3.5Å; F427-I446 HydrophobicContact CB-CG2 4.15Å; F427-I446 HydrophobicContact CD1-CD1 3.59Å; F427-I446 HydrophobicContact CD1-CG1 4.36Å; F427-I446 HydrophobicContact CD1-CG2 4.36Å; F427-I446 HydrophobicContact CD2-CG2 4.21Å; F427-I446 HydrophobicContact CE1-CD1 3.71Å; F427-I446 HydrophobicContact CE1-CG1 4.32Å; F427-I446 HydrophobicContact CG-CD1 4.31Å; F427-I446 HydrophobicContact CG-CG2 3.99Å
428R98.6Very high96.2Very high19 Ų1920.9 Ų20.97%0.07212%0.115CC..  trans-112.7-15.3-164.9-59172.355.968.219.1118R296 Q408 S409 E426 T430R296-R428 PolarHBondContact NH2-O 2.94Å; Q408-R428 WeakPolarHBondContact O-CD 3.23Å; Q408-R428 PolarHBondContact O-NE 2.82Å; Q408-R428 VanDerWaalsContact O-NE 3.12Å; S409-R428 WeakPolarHBondContact O-CB 3.4Å; S409-R428 PolarHBondContact O-N 2.77Å; S409-R428 VanDerWaalsContact O-N 3.1Å; E426-R428 HydrophobicContact CB-CG 4.5Å; E426-R428 HydrophobicContact CG-CG 3.68Å; E426-R428 VanDerWaalsContact OE2-CD 3.3Å; E426-R428 WeakPolarHBondContact OE2-CD 3.41Å; E426-R428 IonicContact OE2-CZ 3.76Å; E426-R428 IonicContact OE2-NE 3.83Å; E426-R428 IonicContact OE2-NH1 2.71Å; E426-R428 PolarHBondContact OE2-NH1 3.26Å; R428-T430 PolarHBondContact O-N 2.87Å
429P98.3Very high96.7Very high1 Ų113.8 Ų13.81%0.0068%0.077CC..  trans-83.8-13.6-166.736.5-41000114.2C273 M277 R296 W297 S409 F427 E431C273-P429 HydrophobicContact CB-CB 4.48Å; C273-P429 HydrophobicContact CB-CG 3.79Å; M277-P429 HydrophobicContact CG-CB 3.54Å; M277-P429 HydrophobicContact CG-CG 4.31Å; M277-P429 HydrophobicContact SD-CB 3.79Å; R296-P429 PolarHBondContact NH1-O 2.84Å; R296-P429 VanDerWaalsContact NH1-O 3.09Å; W297-P429 HydrophobicContact CE3-CB 4.08Å; W297-P429 HydrophobicContact CZ3-CB 3.93Å; S409-P429 WeakPolarHBondContact O-CD 3.45Å; F427-P429 HydrophobicContact CD1-CG 4.06Å; F427-P429 HydrophobicContact CE1-CG 3.47Å; F427-P429 VanDerWaalsContact CE1-CG 3.47Å; F427-P429 HydrophobicContact CZ-CG 3.78Å; P429-E431 PolarHBondContact O-N 3.03Å
430T98.7Very high97Very high0 Ų012.3 Ų12.30%07%0.067CC..PPolyproline II helixtrans-56.3126.4-174.7-40.70000111.5L250 V276 R296 F427 R428 F442L250-T430 HydrophobicContact CB-CG2 4.3Å; L250-T430 HydrophobicContact CD2-CG2 4.08Å; L250-T430 PolarHBondContact N-O 2.98Å; L250-T430 WeakPolarHBondContact O-CB 3.43Å; V276-T430 HydrophobicContact CG1-CG2 4.02Å; R296-T430 PolarHBondContact NH1-O 2.83Å; R296-T430 PolarHBondContact NH2-O 3.16Å; F427-T430 WeakPolarHBondContact CE1-OG1 3.5Å; R428-T430 PolarHBondContact O-N 2.87Å; T430-F442 HydrophobicContact CG2-CB 4.06Å; T430-F442 HydrophobicContact CG2-CD1 4.07Å; T430-F442 HydrophobicContact CG2-CG 4Å
431E98.7Very high97.4Very high1 Ų18.3 Ų8.31%0.0054%0.039CC..BIsolated β-bridgetrans-69.7153.7169.8-61.8-92.810800109.7S280 A282 T283 R296 P429 Q433S280-E431 VanDerWaalsContact O-CB 3.27Å; S280-E431 WeakPolarHBondContact O-CB 3.11Å; S280-E431 PolarHBondContact OG-N 3.19Å; A282-E431 HydrophobicContact CB-CB 3.86Å; A282-E431 PolarHBondContact N-OE2 2.85Å; T283-E431 VanDerWaalsContact CB-OE2 3.32Å; T283-E431 WeakPolarHBondContact CB-OE2 3.22Å; T283-E431 PolarHBondContact N-OE2 3.11Å; T283-E431 VanDerWaalsContact N-OE2 3.07Å; T283-E431 PolarHBondContact OG1-OE2 2.93Å; R296-E431 WeakPolarHBondContact CB-OE1 3.3Å; R296-E431 VanDerWaalsContact CD-OE1 3.25Å; R296-E431 WeakPolarHBondContact CD-OE1 3.34Å; R296-E431 WeakPolarHBondContact CG-OE1 3.17Å; R296-E431 IonicContact CZ-OE1 3.71Å; R296-E431 PolarHBondContact N-OE1 2.83Å; R296-E431 IonicContact NE-OE1 3.88Å; R296-E431 IonicContact NH1-OE1 2.73Å; R296-E431 PolarHBondContact NH1-OE1 2.86Å; P429-E431 PolarHBondContact O-N 3.03Å; E431-Q433 VanDerWaalsContact C-NE2 3.35Å; E431-Q433 PolarHBondContact O-NE2 3.27Å
432L97.8Very high97.7Very high1 Ų15.5 Ų5.51%0.0052%0.024CC..PPolyproline II helixtrans-84.4140-179.7-16770.3000110.7I51 E52 T141 S143 L250 A282I51-L432 HydrophobicContact CD1-CD1 4.2Å; I51-L432 HydrophobicContact CG1-CD1 3.53Å; E52-L432 WeakPolarHBondContact O-CD2 3.15Å; T141-L432 HydrophobicContact CG2-CD1 4.36Å; T141-L432 HydrophobicContact CG2-CD2 3.93Å; T141-L432 HydrophobicContact CG2-CG 4.31Å; S143-L432 PolarHBondContact OG-N 2.89Å; L250-L432 HydrophobicContact CB-CD1 4.14Å; A282-L432 WeakPolarHBondContact CB-O 3.36Å
433Q98.7Very high97.9Very high0 Ų05.4 Ų5.40%02%0.024CC..  trans-107.5157.2-176.1-46.5-56.3-59.400111.9T141 S280 E431 T435 E438 N439 F442 T612T141-Q433 VanDerWaalsContact CB-O 3.24Å; T141-Q433 WeakPolarHBondContact CB-O 3.45Å; T141-Q433 CarbonylContact O-C 3.52Å; T141-Q433 VanDerWaalsContact O-C 3.27Å; T141-Q433 PolarHBondContact OG1-O 3.5Å; S280-Q433 PolarHBondContact O-NE2 3.43Å; E431-Q433 VanDerWaalsContact C-NE2 3.35Å; E431-Q433 PolarHBondContact O-NE2 3.27Å; Q433-T435 PolarHBondContact O-N 2.96Å; Q433-E438 HydrophobicContact CB-CB 3.39Å; Q433-E438 HydrophobicContact CB-CG 4.29Å; Q433-E438 HydrophobicContact CG-CB 3.86Å; Q433-N439 WeakPolarHBondContact CB-OD1 3.38Å; Q433-N439 PolarHBondContact N-OD1 3.47Å; Q433-N439 PolarHBondContact O-ND2 3.25Å; Q433-F442 HydrophobicContact CG-CD2 3.77Å; Q433-F442 HydrophobicContact CG-CE2 3.75Å; Q433-T612 PolarHBondContact OE1-OG1 3.42Å
434L98.3Very high97.9Very high1 Ų15.4 Ų5.41%0.0052%0.024CC..SBendtrans-66.3-35.2-173.2-62.7-177.2000113.3T141 I142 T612 W615 C644 I647 T648 L657T141-L434 PolarHBondContact OG1-O 3.42Å; I142-L434 HydrophobicContact CG2-CD2 3.63Å; L434-T612 HydrophobicContact CD1-CG2 4.25Å; L434-T612 HydrophobicContact CD2-CG2 4.29Å; L434-T612 HydrophobicContact CG-CG2 3.93Å; L434-W615 HydrophobicContact CD1-CE3 4.32Å; L434-W615 HydrophobicContact CD1-CZ3 3.95Å; L434-C644 HydrophobicContact CD1-CB 4.38Å; L434-C644 HydrophobicContact CD2-CB 4.01Å; L434-I647 HydrophobicContact CB-CG2 4.15Å; L434-I647 HydrophobicContact CD1-CB 4.36Å; L434-I647 HydrophobicContact CD1-CD1 3.93Å; L434-I647 HydrophobicContact CD1-CG2 4.14Å; L434-T648 WeakPolarHBondContact O-CB 3.3Å; L434-T648 PolarHBondContact O-OG1 2.85Å; L434-L657 HydrophobicContact CD1-CD2 4.09Å
435T97.3Very high97.9Very high14 Ų143.1 Ų3.19%0.0862%0.015CC..SBendtrans-109.4151.5-176.168.70000113Q433 F437 E438 N439 I647 L658Q433-T435 PolarHBondContact O-N 2.96Å; T435-F437 PolarHBondContact O-N 3.46Å; T435-E438 VanDerWaalsContact CB-OE2 3.3Å; T435-E438 WeakPolarHBondContact CB-OE2 3.09Å; T435-E438 WeakPolarHBondContact CG2-OE2 3.14Å; T435-E438 PolarHBondContact N-OE2 3.02Å; T435-E438 PolarHBondContact O-N 2.69Å; T435-E438 WeakPolarHBondContact OG1-CG 3.5Å; T435-E438 PolarHBondContact OG1-N 3.45Å; T435-E438 VanDerWaalsContact OG1-N 3.11Å; T435-E438 PolarHBondContact OG1-OE2 2.85Å; T435-N439 PolarHBondContact O-N 2.86Å; T435-N439 VanDerWaalsContact O-N 3.13Å; T435-N439 PolarHBondContact O-ND2 3.3Å; T435-I647 HydrophobicContact CG2-CG2 3.75Å; T435-L658 HydrophobicContact CG2-CD1 4.16Å
436D96.5Very high97.9Very high12 Ų123.1 Ų3.16%0.0642%0.015CC..Hα-helixtrans-61.7-31.3172.6-61.6-33.6000111.7E119 M122 K123 R126 A440E119-D436 HydrophobicContact CG-CB 4.2Å; M122-D436 HydrophobicContact CB-CB 3.89Å; K123-D436 HydrophobicContact CG-CB 4.08Å; K123-D436 WeakPolarHBondContact CG-OD2 3.23Å; R126-D436 IonicContact CZ-OD1 3.67Å; R126-D436 IonicContact NE-OD1 2.71Å; R126-D436 PolarHBondContact NE-OD1 2.97Å; R126-D436 IonicContact NE-OD2 3.45Å; R126-D436 PolarHBondContact NE-OD2 2.86Å; R126-D436 IonicContact NH2-OD1 3.51Å; R126-D436 PolarHBondContact NH2-OD1 3.07Å; D436-A440 WeakPolarHBondContact O-CB 3.23Å; D436-A440 PolarHBondContact O-N 3.24Å
437F96.4Very high97.8Very high14 Ų143.1 Ų3.16%0.0612%0.015CC..Hα-helixtrans-60.3-50.5173.1167.6-96000111.8T435 A440 A441 Y597 L600 P659T435-F437 PolarHBondContact O-N 3.46Å; F437-A440 PolarHBondContact O-N 3.37Å; F437-A441 WeakPolarHBondContact O-CB 3.27Å; F437-A441 PolarHBondContact O-N 3.05Å; F437-Y597 AromaticContact CD2-CD1 3.79Å; F437-Y597 HydrophobicContact CD2-CD1 3.79Å; F437-Y597 AromaticContact CD2-CE1 3.58Å; F437-Y597 HydrophobicContact CD2-CE1 3.58Å; F437-Y597 AromaticContact CE2-CD1 3.52Å; F437-Y597 HydrophobicContact CE2-CD1 3.52Å; F437-Y597 AromaticContact CE2-CE1 3.77Å; F437-Y597 HydrophobicContact CE2-CE1 3.77Å; F437-Y597 HydrophobicContact CG-CE1 4.47Å; F437-Y597 HydrophobicContact CZ-CD1 4.21Å; F437-L600 HydrophobicContact CE1-CB 4.22Å; F437-L600 HydrophobicContact CE1-CD1 4.42Å; F437-L600 HydrophobicContact CE1-CD2 4.08Å; F437-L600 HydrophobicContact CE1-CG 4.47Å; F437-L600 HydrophobicContact CZ-CB 4.48Å; F437-P659 HydrophobicContact CE1-CG 3.95Å; F437-P659 HydrophobicContact CZ-CG 4.03Å
438E98Very high97.6Very high0 Ų03.1 Ų3.10%02%0.015CC..Hα-helixtrans-64.2-43.5-179.8-69162.495.600111.6Q433 T435 A441 F442 L600 R604 L658Q433-E438 HydrophobicContact CB-CB 3.39Å; Q433-E438 HydrophobicContact CB-CG 4.29Å; Q433-E438 HydrophobicContact CG-CB 3.86Å; T435-E438 VanDerWaalsContact CB-OE2 3.3Å; T435-E438 WeakPolarHBondContact CB-OE2 3.09Å; T435-E438 WeakPolarHBondContact CG2-OE2 3.14Å; T435-E438 PolarHBondContact N-OE2 3.02Å; T435-E438 PolarHBondContact O-N 2.69Å; T435-E438 WeakPolarHBondContact OG1-CG 3.5Å; T435-E438 PolarHBondContact OG1-N 3.45Å; T435-E438 VanDerWaalsContact OG1-N 3.11Å; T435-E438 PolarHBondContact OG1-OE2 2.85Å; E438-A441 WeakPolarHBondContact O-CB 3.41Å; E438-A441 PolarHBondContact O-N 3.1Å; E438-F442 WeakPolarHBondContact O-CD2 3.17Å; E438-F442 PolarHBondContact O-N 3.23Å; E438-F442 VanDerWaalsContact O-N 3.12Å; E438-L600 HydrophobicContact CB-CD2 3.95Å; E438-L600 HydrophobicContact CG-CD2 3.78Å; E438-R604 IonicContact OE1-CZ 2.63Å; E438-R604 IonicContact OE1-NH2 2.81Å; E438-R604 PolarHBondContact OE1-NH2 2.79Å; E438-L658 HydrophobicContact CG-CD2 3.66Å
439N98.3Very high97.6Very high0 Ų02.3 Ų2.30%01%0.012CC..Hα-helixtrans-63.3-45.1177.6-68.4-56.8000111I51 M122 L250 Q433 T435 A441 F442 V443I51-N439 HydrophobicContact CD1-CB 4.24Å; M122-N439 HydrophobicContact CE-CB 3.94Å; M122-N439 HydrophobicContact SD-CB 3.76Å; L250-N439 HydrophobicContact CD2-CB 4.23Å; Q433-N439 WeakPolarHBondContact CB-OD1 3.38Å; Q433-N439 PolarHBondContact N-OD1 3.47Å; Q433-N439 PolarHBondContact O-ND2 3.25Å; T435-N439 PolarHBondContact O-N 2.86Å; T435-N439 VanDerWaalsContact O-N 3.13Å; T435-N439 PolarHBondContact O-ND2 3.3Å; N439-A441 PolarHBondContact O-N 2.8Å; N439-F442 PolarHBondContact O-N 3.42Å; N439-V443 WeakPolarHBondContact O-CG2 3.5Å; N439-V443 PolarHBondContact O-N 3.26Å
440A97.3Very high97.4Very high0 Ų02.3 Ų2.30%01%0.012CC..Hα-helixtrans-61.2-33.3174.500000112.6V118 E119 M122 D436 F437 V443 T444 Y597V118-A440 HydrophobicContact CB-CB 4.3Å; V118-A440 HydrophobicContact CG1-CB 3.94Å; E119-A440 HydrophobicContact CB-CB 3.82Å; M122-A440 HydrophobicContact SD-CB 4.25Å; D436-A440 WeakPolarHBondContact O-CB 3.23Å; D436-A440 PolarHBondContact O-N 3.24Å; F437-A440 PolarHBondContact O-N 3.37Å; A440-V443 PolarHBondContact O-N 3.42Å; A440-T444 VanDerWaalsContact O-CB 3.3Å; A440-T444 WeakPolarHBondContact O-CB 3.3Å; A440-T444 PolarHBondContact O-N 2.6Å; A440-T444 PolarHBondContact O-OG1 3.4Å; A440-Y597 HydrophobicContact CB-CE1 4.03Å
441A97.5Very high97.2Very high0 Ų04 Ų40%02%0.018CC..Hα-helixtrans-66.1-44.2176.500000112.7F437 E438 N439 T444 F445 Y597 L600F437-A441 WeakPolarHBondContact O-CB 3.27Å; F437-A441 PolarHBondContact O-N 3.05Å; E438-A441 WeakPolarHBondContact O-CB 3.41Å; E438-A441 PolarHBondContact O-N 3.1Å; N439-A441 PolarHBondContact O-N 2.8Å; A441-T444 PolarHBondContact O-N 3.12Å; A441-F445 WeakPolarHBondContact O-CB 3.29Å; A441-F445 PolarHBondContact O-N 3.34Å; A441-Y597 HydrophobicContact CB-CD1 3.76Å; A441-Y597 HydrophobicContact CB-CG 3.96Å; A441-L600 HydrophobicContact CB-CD2 3.74Å
442F98.5Very high96.9Very high0 Ų04 Ų40%02%0.018CC..Hα-helixtrans-65.3-41.6174.7-81.7-75.1000112.5L250 V276 L279 T430 Q433 E438 N439 T444 F445 I446 I601L250-F442 HydrophobicContact CD2-CB 3.89Å; V276-F442 HydrophobicContact CG1-CD1 4.25Å; V276-F442 HydrophobicContact CG1-CE1 4.46Å; L279-F442 HydrophobicContact CB-CE1 4.03Å; L279-F442 HydrophobicContact CB-CZ 4.39Å; T430-F442 HydrophobicContact CG2-CB 4.06Å; T430-F442 HydrophobicContact CG2-CD1 4.07Å; T430-F442 HydrophobicContact CG2-CG 4Å; Q433-F442 HydrophobicContact CG-CD2 3.77Å; Q433-F442 HydrophobicContact CG-CE2 3.75Å; E438-F442 WeakPolarHBondContact O-CD2 3.17Å; E438-F442 PolarHBondContact O-N 3.23Å; E438-F442 VanDerWaalsContact O-N 3.12Å; N439-F442 PolarHBondContact O-N 3.42Å; F442-T444 VanDerWaalsContact C-N 3.33Å; F442-T444 PolarHBondContact O-N 2.81Å; F442-F445 PolarHBondContact O-N 3.08Å; F442-I446 WeakPolarHBondContact O-CD1 3.24Å; F442-I446 WeakPolarHBondContact O-CG1 3.49Å; F442-I446 PolarHBondContact O-N 3.3Å; F442-I601 HydrophobicContact CD1-CD1 3.82Å; F442-I601 HydrophobicContact CD2-CD1 4.41Å; F442-I601 HydrophobicContact CE1-CD1 3.67Å; F442-I601 HydrophobicContact CE2-CD1 4.27Å; F442-I601 HydrophobicContact CG-CD1 4.19Å; F442-I601 HydrophobicContact CZ-CD1 3.9Å
443V97.7Very high96.7Very high0 Ų04 Ų40%02%0.019CC..Hα-helixtrans-56.7-50.1173.6172.20000110.4W47 D49 V118 M122 L250 I252 N439 A440 F445 I446 L447W47-V443 HydrophobicContact CE3-CG1 4.22Å; W47-V443 HydrophobicContact CH2-CG1 4.05Å; W47-V443 HydrophobicContact CZ3-CG1 3.41Å; W47-V443 VanDerWaalsContact CZ3-CG1 3.41Å; D49-V443 HydrophobicContact CB-CG2 3.81Å; V118-V443 HydrophobicContact CG1-CB 4.36Å; V118-V443 HydrophobicContact CG1-CG1 4.1Å; M122-V443 HydrophobicContact CE-CG2 3.94Å; L250-V443 HydrophobicContact CD1-CG2 3.89Å; L250-V443 HydrophobicContact CD2-CG2 3.99Å; L250-V443 HydrophobicContact CG-CG2 4.31Å; I252-V443 HydrophobicContact CG1-CB 4.46Å; I252-V443 HydrophobicContact CG1-CG2 3.95Å; N439-V443 WeakPolarHBondContact O-CG2 3.5Å; N439-V443 PolarHBondContact O-N 3.26Å; A440-V443 PolarHBondContact O-N 3.42Å; V443-F445 PolarHBondContact O-N 3.49Å; V443-I446 PolarHBondContact O-N 3.08Å; V443-L447 HydrophobicContact CG1-CD1 3.59Å; V443-L447 WeakPolarHBondContact O-CB 3.22Å; V443-L447 WeakPolarHBondContact O-CD1 3.39Å; V443-L447 WeakPolarHBondContact O-CG 3.42Å; V443-L447 PolarHBondContact O-N 3.12Å; V443-L447 VanDerWaalsContact O-N 3.09Å
444T96.4Very high96.4Very high0 Ų06 Ų60%03%0.029CC..Hα-helixtrans-60.3-46.2179.8-60.70000111.6F115 A440 A441 F442 L447 L448 I594 Y597F115-T444 HydrophobicContact CD1-CG2 3.7Å; F115-T444 WeakPolarHBondContact CD1-OG1 3.23Å; F115-T444 HydrophobicContact CE1-CG2 3.96Å; F115-T444 HydrophobicContact CG-CG2 4.28Å; A440-T444 VanDerWaalsContact O-CB 3.3Å; A440-T444 WeakPolarHBondContact O-CB 3.3Å; A440-T444 PolarHBondContact O-N 2.6Å; A440-T444 PolarHBondContact O-OG1 3.4Å; A441-T444 PolarHBondContact O-N 3.12Å; F442-T444 VanDerWaalsContact C-N 3.33Å; F442-T444 PolarHBondContact O-N 2.81Å; T444-L447 PolarHBondContact O-N 2.78Å; T444-L448 HydrophobicContact CG2-CD1 3.59Å; T444-L448 HydrophobicContact CG2-CG 4.18Å; T444-L448 WeakPolarHBondContact O-CB 3.47Å; T444-L448 VanDerWaalsContact O-CG 3.29Å; T444-L448 WeakPolarHBondContact O-CG 3.17Å; T444-L448 PolarHBondContact O-N 3.26Å; T444-I594 HydrophobicContact CG2-CG1 4.3Å; T444-I594 HydrophobicContact CG2-CG2 4.34Å; T444-Y597 HydrophobicContact CG2-CD2 4.02Å; T444-Y597 WeakPolarHBondContact OG1-CD2 3.37Å
445F97.9Very high96Very high0 Ų012 Ų120%06%0.055CC..Hα-helixtrans-58.5-50.4178.5170.9-113.4000112.4M272 V276 A441 F442 V443 L447 L448 L449 I564 L574 I577 L598 I601M272-F445 HydrophobicContact CE-CZ 4.5Å; V276-F445 HydrophobicContact CG2-CE1 4Å; A441-F445 WeakPolarHBondContact O-CB 3.29Å; A441-F445 PolarHBondContact O-N 3.34Å; F442-F445 PolarHBondContact O-N 3.08Å; V443-F445 PolarHBondContact O-N 3.49Å; F445-L447 PolarHBondContact O-N 2.9Å; F445-L448 PolarHBondContact O-N 3.2Å; F445-L449 HydrophobicContact CE1-CD2 4.42Å; F445-L449 HydrophobicContact CZ-CD2 4.11Å; F445-L449 WeakPolarHBondContact O-CB 3.48Å; F445-L449 PolarHBondContact O-N 2.95Å; F445-I564 HydrophobicContact CE2-CD1 4.45Å; F445-I564 HydrophobicContact CZ-CD1 3.84Å; F445-L574 HydrophobicContact CD2-CD1 4.16Å; F445-L574 HydrophobicContact CE2-CD1 4.22Å; F445-I577 HydrophobicContact CD2-CD1 3.73Å; F445-I577 HydrophobicContact CE2-CD1 3.52Å; F445-L598 HydrophobicContact CB-CD2 4.43Å; F445-L598 HydrophobicContact CD2-CD2 4.27Å; F445-I601 HydrophobicContact CB-CG1 4.09Å; F445-I601 HydrophobicContact CD2-CG2 4.28Å; F445-I601 HydrophobicContact CE2-CG2 4.38Å; F445-I601 HydrophobicContact CG-CG1 4.27Å; F445-I601 HydrophobicContact CG-CG2 4.35Å
446I98Very high95.5Very high0 Ų012.7 Ų12.70%06%0.057CC..Hα-helixtrans-65.7-40.3-176.6-66.7160.9000111I252 F254 V276 F427 F442 V443 L449 S450I252-I446 HydrophobicContact CD1-CD1 3.49Å; I252-I446 VanDerWaalsContact CD1-CD1 3.49Å; I252-I446 HydrophobicContact CG1-CD1 4.31Å; F254-I446 HydrophobicContact CE1-CG2 4.33Å; V276-I446 HydrophobicContact CG1-CD1 4.32Å; F427-I446 HydrophobicContact CB-CG2 4.15Å; F427-I446 HydrophobicContact CD1-CD1 3.59Å; F427-I446 HydrophobicContact CD1-CG1 4.36Å; F427-I446 HydrophobicContact CD1-CG2 4.36Å; F427-I446 HydrophobicContact CD2-CG2 4.21Å; F427-I446 HydrophobicContact CE1-CD1 3.71Å; F427-I446 HydrophobicContact CE1-CG1 4.32Å; F427-I446 HydrophobicContact CG-CD1 4.31Å; F427-I446 HydrophobicContact CG-CG2 3.99Å; F442-I446 WeakPolarHBondContact O-CD1 3.24Å; F442-I446 WeakPolarHBondContact O-CG1 3.49Å; F442-I446 PolarHBondContact O-N 3.3Å; V443-I446 PolarHBondContact O-N 3.08Å; I446-L449 PolarHBondContact O-N 3.07Å; I446-S450 PolarHBondContact O-N 2.88Å
447L95.9Very high95.1Very high2 Ų216 Ų161%0.018%0.075CC..Hα-helixtrans-68.1-48.2178.8-73.6161.4000112W47 F115 I252 F254 V443 T444 F445 L449 S450 R451W47-L447 HydrophobicContact CB-CD2 3.8Å; W47-L447 HydrophobicContact CD2-CD1 3.35Å; W47-L447 HydrophobicContact CD2-CD2 3.88Å; W47-L447 HydrophobicContact CD2-CG 4.26Å; W47-L447 HydrophobicContact CE3-CD1 3.12Å; W47-L447 HydrophobicContact CE3-CD2 4.19Å; W47-L447 HydrophobicContact CE3-CG 4.26Å; W47-L447 HydrophobicContact CG-CD1 4.14Å; W47-L447 HydrophobicContact CG-CD2 3.76Å; W47-L447 HydrophobicContact CH2-CD1 3.32Å; W47-L447 HydrophobicContact CZ2-CD1 3.64Å; W47-L447 HydrophobicContact CZ3-CD1 3.13Å; F115-L447 HydrophobicContact CE1-CB 3.96Å; F115-L447 HydrophobicContact CE1-CD1 3.92Å; F115-L447 HydrophobicContact CZ-CB 4.03Å; I252-L447 HydrophobicContact CG2-CD1 4.41Å; I252-L447 HydrophobicContact CG2-CD2 4.19Å; I252-L447 HydrophobicContact CG2-CG 4.14Å; F254-L447 HydrophobicContact CB-CD2 4.04Å; F254-L447 HydrophobicContact CD1-CD2 3.75Å; F254-L447 HydrophobicContact CG-CD2 4.09Å; V443-L447 HydrophobicContact CG1-CD1 3.59Å; V443-L447 WeakPolarHBondContact O-CB 3.22Å; V443-L447 WeakPolarHBondContact O-CD1 3.39Å; V443-L447 WeakPolarHBondContact O-CG 3.42Å; V443-L447 PolarHBondContact O-N 3.12Å; V443-L447 VanDerWaalsContact O-N 3.09Å; T444-L447 PolarHBondContact O-N 2.78Å; F445-L447 PolarHBondContact O-N 2.9Å; L447-L449 VanDerWaalsContact C-N 3.28Å; L447-L449 PolarHBondContact O-N 2.88Å; L447-S450 WeakPolarHBondContact O-CB 3.17Å; L447-S450 PolarHBondContact O-N 3.43Å; L447-S450 VanDerWaalsContact O-N 3.16Å; L447-S450 PolarHBondContact O-OG 3Å; L447-R451 WeakPolarHBondContact O-CG 3.21Å; L447-R451 PolarHBondContact O-N 3.29Å
448L96.1Very high94.9Very high1 Ų115.6 Ų15.61%0.0057%0.073CC..Hα-helixtrans-63.7-37177.1-69.3175.3000111.3L112 F115 T444 F445 R451 T452 I577 Y580 V581 I594L112-L448 HydrophobicContact CD2-CD2 4.06Å; F115-L448 HydrophobicContact CE1-CG 4.44Å; F115-L448 HydrophobicContact CE2-CD2 3.72Å; F115-L448 HydrophobicContact CE2-CG 4.28Å; F115-L448 HydrophobicContact CZ-CD2 3.78Å; F115-L448 HydrophobicContact CZ-CG 3.93Å; T444-L448 HydrophobicContact CG2-CD1 3.59Å; T444-L448 HydrophobicContact CG2-CG 4.18Å; T444-L448 WeakPolarHBondContact O-CB 3.47Å; T444-L448 VanDerWaalsContact O-CG 3.29Å; T444-L448 WeakPolarHBondContact O-CG 3.17Å; T444-L448 PolarHBondContact O-N 3.26Å; F445-L448 PolarHBondContact O-N 3.2Å; L448-R451 PolarHBondContact O-N 3.49Å; L448-T452 VanDerWaalsContact O-CB 3.31Å; L448-T452 WeakPolarHBondContact O-CB 3.44Å; L448-T452 PolarHBondContact O-N 3.41Å; L448-T452 PolarHBondContact O-OG1 3.41Å; L448-I577 HydrophobicContact CB-CG2 3.67Å; L448-I577 HydrophobicContact CD1-CG2 3.94Å; L448-I577 HydrophobicContact CG-CG2 4.44Å; L448-Y580 HydrophobicContact CD2-CD1 4.21Å; L448-Y580 HydrophobicContact CD2-CE1 4.03Å; L448-V581 HydrophobicContact CD1-CG2 3.78Å; L448-V581 HydrophobicContact CD2-CG2 3.91Å; L448-V581 HydrophobicContact CG-CG2 4.45Å; L448-I594 HydrophobicContact CD1-CG2 3.53Å
449L97.2Very high94.6Very high2 Ų216 Ų161%0.018%0.076CC..Hα-helixtrans-59.6-46.9172.3179.357.5000111L269 M272 F445 I446 L447 R451 T452 I453 L573 I577L269-L449 HydrophobicContact CD2-CD2 4.23Å; L269-L449 HydrophobicContact CD2-CG 4.32Å; M272-L449 HydrophobicContact CB-CD2 4.45Å; M272-L449 HydrophobicContact CE-CD2 3.96Å; M272-L449 HydrophobicContact CG-CD2 3.86Å; M272-L449 HydrophobicContact SD-CD2 4.32Å; F445-L449 HydrophobicContact CE1-CD2 4.42Å; F445-L449 HydrophobicContact CZ-CD2 4.11Å; F445-L449 WeakPolarHBondContact O-CB 3.48Å; F445-L449 PolarHBondContact O-N 2.95Å; I446-L449 PolarHBondContact O-N 3.07Å; L447-L449 VanDerWaalsContact C-N 3.28Å; L447-L449 PolarHBondContact O-N 2.88Å; L449-R451 PolarHBondContact O-N 3.04Å; L449-T452 PolarHBondContact O-N 3.29Å; L449-I453 HydrophobicContact CD1-CD1 4.12Å; L449-I453 HydrophobicContact CD1-CG1 4.21Å; L449-I453 HydrophobicContact CG-CD1 3.94Å; L449-I453 WeakPolarHBondContact O-CB 3.49Å; L449-I453 VanDerWaalsContact O-CG1 3.26Å; L449-I453 WeakPolarHBondContact O-CG1 3.47Å; L449-I453 PolarHBondContact O-N 2.93Å; L449-L573 HydrophobicContact CD1-CD1 4.39Å; L449-L573 HydrophobicContact CD1-CD2 4.34Å; L449-I577 HydrophobicContact CB-CD1 3.97Å; L449-I577 HydrophobicContact CD1-CD1 4.23Å
450S95.6Very high94.5Very high0 Ų016 Ų160%08%0.076CC..Hα-helixtrans-58-37.4176.783.10000112.4I446 L447 L454I446-S450 PolarHBondContact O-N 2.88Å; L447-S450 WeakPolarHBondContact O-CB 3.17Å; L447-S450 PolarHBondContact O-N 3.43Å; L447-S450 VanDerWaalsContact O-N 3.16Å; L447-S450 PolarHBondContact O-OG 3Å; S450-L454 WeakPolarHBondContact O-CG 3.47Å; S450-L454 PolarHBondContact O-N 3.05Å
451R92.7Very high94.5Very high35 Ų3516 Ų1613%0.1328%0.076CC..Hα-helixtrans-75.6-39.4178.5-64.3-47.495.5178.31.1112.4L45 E261 L447 L448 L449 I453 L454 K455 Y580L45-R451 HydrophobicContact CD2-CG 4.5Å; E261-R451 IonicContact OE1-NH1 3.84Å; L447-R451 WeakPolarHBondContact O-CG 3.21Å; L447-R451 PolarHBondContact O-N 3.29Å; L448-R451 PolarHBondContact O-N 3.49Å; L449-R451 PolarHBondContact O-N 3.04Å; R451-I453 VanDerWaalsContact C-N 3.31Å; R451-I453 PolarHBondContact O-N 3.36Å; R451-L454 PolarHBondContact O-N 2.92Å; R451-K455 WeakPolarHBondContact O-CB 3.46Å; R451-K455 PolarHBondContact O-N 3.43Å; R451-Y580 HydrophobicContact CB-CD1 4.4Å; R451-Y580 HydrophobicContact CB-CE1 3.61Å; R451-Y580 HydrophobicContact CB-CE2 4.22Å; R451-Y580 WeakPolarHBondContact CB-OH 3.39Å; R451-Y580 HydrophobicContact CG-CE1 4.38Å
452T93.6Very high94.5Very high1 Ų116.1 Ų16.11%0.0068%0.076CC..Hα-helixtrans-62-41.7176.3-560000110.4L448 L449 L454 K455 F456 L458 L576 I577L448-T452 VanDerWaalsContact O-CB 3.31Å; L448-T452 WeakPolarHBondContact O-CB 3.44Å; L448-T452 PolarHBondContact O-N 3.41Å; L448-T452 PolarHBondContact O-OG1 3.41Å; L449-T452 PolarHBondContact O-N 3.29Å; T452-L454 VanDerWaalsContact C-N 3.34Å; T452-L454 PolarHBondContact O-N 2.94Å; T452-K455 PolarHBondContact O-N 3.44Å; T452-F456 HydrophobicContact CG2-CD2 3.54Å; T452-F456 HydrophobicContact CG2-CE2 3.86Å; T452-F456 PolarHBondContact O-N 3Å; T452-L458 HydrophobicContact CG2-CD1 3.9Å; T452-L576 HydrophobicContact CG2-CB 4.04Å; T452-I577 HydrophobicContact CG2-CG1 4.3Å
453I93.5Very high94.5Very high3 Ų316.1 Ų16.12%0.0158%0.076CC..Hα-helixtrans-55.1-49.1173.9-73.4161.8000110.9Q268 L269 L449 R451 N457 L458 L460Q268-I453 HydrophobicContact CB-CD1 4.07Å; Q268-I453 HydrophobicContact CB-CG2 4.08Å; Q268-I453 HydrophobicContact CG-CG2 3.89Å; L269-I453 HydrophobicContact CD2-CD1 3.85Å; L269-I453 HydrophobicContact CG-CD1 4.4Å; L449-I453 HydrophobicContact CD1-CD1 4.12Å; L449-I453 HydrophobicContact CD1-CG1 4.21Å; L449-I453 HydrophobicContact CG-CD1 3.94Å; L449-I453 WeakPolarHBondContact O-CB 3.49Å; L449-I453 VanDerWaalsContact O-CG1 3.26Å; L449-I453 WeakPolarHBondContact O-CG1 3.47Å; L449-I453 PolarHBondContact O-N 2.93Å; R451-I453 VanDerWaalsContact C-N 3.31Å; R451-I453 PolarHBondContact O-N 3.36Å; I453-N457 CarbonylContact O-C 3.55Å; I453-N457 VanDerWaalsContact O-CA 3.27Å; I453-N457 WeakPolarHBondContact O-CA 3.4Å; I453-N457 PolarHBondContact O-N 3.41Å; I453-L458 HydrophobicContact CB-CB 4.49Å; I453-L458 HydrophobicContact CG1-CB 4.24Å; I453-L458 HydrophobicContact CG1-CD1 4.32Å; I453-L458 PolarHBondContact O-N 3.41Å; I453-L460 HydrophobicContact CD1-CD1 3.97Å; I453-L460 HydrophobicContact CG1-CD1 4.24Å
454L91.4Very high94.5Very high42 Ų4216.2 Ų16.222%0.228%0.076CC..Hα-helixtrans-73.2-40.4-178.4-63.6174.5000112.9E261 I264 L265 S450 R451 T452E261-L454 VanDerWaalsContact CD-CD1 3.46Å; E261-L454 HydrophobicContact CG-CD1 3.79Å; E261-L454 HydrophobicContact CG-CD2 3.79Å; E261-L454 HydrophobicContact CG-CG 4.46Å; I264-L454 HydrophobicContact CG2-CD2 4.45Å; L265-L454 HydrophobicContact CD1-CD1 4.14Å; L265-L454 HydrophobicContact CD2-CD1 4.05Å; L265-L454 HydrophobicContact CD2-CD2 4.03Å; L265-L454 HydrophobicContact CD2-CG 3.88Å; L265-L454 HydrophobicContact CG-CD1 4.34Å; L265-L454 HydrophobicContact CG-CD2 4.25Å; L265-L454 HydrophobicContact CG-CG 4.46Å; S450-L454 WeakPolarHBondContact O-CG 3.47Å; S450-L454 PolarHBondContact O-N 3.05Å; R451-L454 PolarHBondContact O-N 2.92Å; T452-L454 VanDerWaalsContact C-N 3.34Å; T452-L454 PolarHBondContact O-N 2.94Å
455K89.9Confident94.6Very high125 Ų12517.7 Ų17.754%0.5439%0.087SC..Hα-helixtrans-67.7-37.9-176.9176.762.9175.7-178.60112.1R451 T452 Y580R451-K455 WeakPolarHBondContact O-CB 3.46Å; R451-K455 PolarHBondContact O-N 3.43Å; T452-K455 PolarHBondContact O-N 3.44Å; K455-Y580 HydrophobicContact CB-CD2 3.82Å; K455-Y580 HydrophobicContact CB-CE2 3.84Å; K455-Y580 HydrophobicContact CG-CD2 3.79Å; K455-Y580 HydrophobicContact CG-CE2 3.97Å
456F88.4Confident94.6Very high29 Ų2919.3 Ų19.313%0.1279%0.094CC..THydrogen-bonded Turntrans-109.112.5-176.2-57.3-42.7000113.5T452 L458 H579 E583T452-F456 HydrophobicContact CG2-CD2 3.54Å; T452-F456 HydrophobicContact CG2-CE2 3.86Å; T452-F456 PolarHBondContact O-N 3Å; F456-L458 HydrophobicContact CB-CD2 3.73Å; F456-L458 HydrophobicContact CB-CG 4.12Å; F456-L458 PolarHBondContact O-N 3.32Å; F456-H579 AromaticContact CZ-CD2 3.66Å; F456-E583 WeakPolarHBondContact CE1-OE2 3.43Å
457N88Confident94.6Very high82 Ų8219.3 Ų19.344%0.4399%0.094SC..THydrogen-bonded Turntrans48.543.5-178.7-64-42000113I453 N459 T495 D496I453-N457 CarbonylContact O-C 3.55Å; I453-N457 VanDerWaalsContact O-CA 3.27Å; I453-N457 WeakPolarHBondContact O-CA 3.4Å; I453-N457 PolarHBondContact O-N 3.41Å; N457-N459 PolarHBondContact O-N 3.13Å; N457-T495 WeakPolarHBondContact CB-OG1 3.34Å; N457-D496 PolarHBondContact ND2-OD2 2.76Å
458L91.5Very high94.7Very high5 Ų521 Ų213%0.02610%0.103CC..  trans-67.1135.5-176.9-53.9-175.7000110.6T452 I453 F456 I493 T494 L576T452-L458 HydrophobicContact CG2-CD1 3.9Å; I453-L458 HydrophobicContact CB-CB 4.49Å; I453-L458 HydrophobicContact CG1-CB 4.24Å; I453-L458 HydrophobicContact CG1-CD1 4.32Å; I453-L458 PolarHBondContact O-N 3.41Å; F456-L458 HydrophobicContact CB-CD2 3.73Å; F456-L458 HydrophobicContact CB-CG 4.12Å; F456-L458 PolarHBondContact O-N 3.32Å; L458-I493 WeakPolarHBondContact CA-O 3.36Å; L458-I493 HydrophobicContact CB-CG2 4.2Å; L458-I493 HydrophobicContact CD2-CG2 4.01Å; L458-T494 HydrophobicContact CD2-CG2 3.96Å; L458-L576 HydrophobicContact CD1-CD1 4.16Å; L458-L576 HydrophobicContact CD2-CD1 4.37Å
459N92.5Very high94.9Very high10 Ų1024.6 Ų24.65%0.05312%0.12CC..  trans-114.2100.5175.1-172.9-1.5000111.4M339 N457 L461 K488 I493M339-N459 HydrophobicContact SD-CB 4.47Å; N457-N459 PolarHBondContact O-N 3.13Å; N459-L461 WeakPolarHBondContact OD1-CB 3.37Å; N459-L461 WeakPolarHBondContact OD1-CG 3.2Å; N459-L461 PolarHBondContact OD1-N 2.73Å; N459-L461 VanDerWaalsContact OD1-N 3.12Å; N459-K488 WeakPolarHBondContact O-CD 3.46Å; N459-K488 WeakPolarHBondContact O-CG 3.47Å; N459-I493 PolarHBondContact N-O 2.89Å
460L95.7Very high94.9Very high0 Ų024.5 Ų24.50%012%0.119CC..  trans-94.4-2.7179.3-50.4-176.7000112.9T271 M272 I453 I462 F487 I493 L573T271-L460 WeakPolarHBondContact CG2-O 3.36Å; T271-L460 WeakPolarHBondContact OG1-CB 3.2Å; M272-L460 HydrophobicContact CG-CD1 3.92Å; M272-L460 HydrophobicContact SD-CD1 4.05Å; I453-L460 HydrophobicContact CD1-CD1 3.97Å; I453-L460 HydrophobicContact CG1-CD1 4.24Å; L460-I462 PolarHBondContact O-N 3.35Å; L460-F487 HydrophobicContact CD2-CZ 4.04Å; L460-I493 HydrophobicContact CD2-CD1 4.38Å; L460-I493 HydrophobicContact CD2-CG1 4.37Å; L460-I493 HydrophobicContact CD2-CG2 3.98Å; L460-L573 HydrophobicContact CD2-CD2 4.13Å
461L96.6Very high95.1Very high0 Ų025 Ų250%012%0.122CC..  trans-64.6130.6-171.5-59.5171.2000112.7D267 T271 Y335 M339 F343 N459 K488D267-L461 HydrophobicContact CB-CD2 3.64Å; T271-L461 HydrophobicContact CG2-CD2 4.46Å; Y335-L461 HydrophobicContact CD1-CD2 4.28Å; Y335-L461 HydrophobicContact CE1-CD2 3.9Å; M339-L461 HydrophobicContact CB-CD1 4.23Å; M339-L461 HydrophobicContact CE-CD1 3.83Å; M339-L461 HydrophobicContact CG-CD1 3.63Å; M339-L461 HydrophobicContact SD-CD1 3.9Å; F343-L461 HydrophobicContact CD2-CB 3.74Å; F343-L461 HydrophobicContact CD2-CD1 4.15Å; F343-L461 HydrophobicContact CE2-CB 3.67Å; F343-L461 HydrophobicContact CE2-CD1 4.13Å; F343-L461 HydrophobicContact CG-CB 4.21Å; F343-L461 HydrophobicContact CZ-CB 4.09Å; N459-L461 WeakPolarHBondContact OD1-CB 3.37Å; N459-L461 WeakPolarHBondContact OD1-CG 3.2Å; N459-L461 PolarHBondContact OD1-N 2.73Å; N459-L461 VanDerWaalsContact OD1-N 3.12Å; L461-K488 WeakPolarHBondContact O-CD 3.48Å; L461-K488 PolarHBondContact O-NZ 3.02Å
462I97.5Very high95.3Very high1 Ų126.2 Ų26.21%0.00514%0.139CC..  trans-130.6162.917364.8175.6000108.3T271 Y335 L460 L464 K466 V467 Y486 K488T271-I462 HydrophobicContact CG2-CG1 4.28Å; Y335-I462 WeakPolarHBondContact CE2-O 3.47Å; Y335-I462 PolarHBondContact OH-O 3.41Å; L460-I462 PolarHBondContact O-N 3.35Å; I462-L464 PolarHBondContact O-N 3.29Å; I462-K466 HydrophobicContact CD1-CB 4.03Å; I462-K466 HydrophobicContact CG1-CB 4.48Å; I462-V467 HydrophobicContact CD1-CG2 4.09Å; I462-V467 HydrophobicContact CG1-CG2 3.79Å; I462-Y486 VanDerWaalsContact CD1-O 3.25Å; I462-Y486 WeakPolarHBondContact CD1-O 3.32Å; I462-K488 HydrophobicContact CG2-CB 4.39Å; I462-K488 HydrophobicContact CG2-CD 4.39Å
463P98.2Very high95.6Very high1 Ų127.1 Ų27.11%0.00615%0.145CC..  trans-52.1138.8176.5-24.533.6000111.7F343 D345 S465 K466 V467 P551 Y555F343-P463 HydrophobicContact CD1-CG 4.42Å; F343-P463 WeakPolarHBondContact O-CA 3.38Å; D345-P463 HydrophobicContact CB-CB 4.45Å; D345-P463 VanDerWaalsContact OD2-CB 3.31Å; D345-P463 WeakPolarHBondContact OD2-CB 3.48Å; P463-S465 PolarHBondContact O-N 3.34Å; P463-K466 HydrophobicContact CB-CG 4.23Å; P463-K466 WeakPolarHBondContact O-CB 3.26Å; P463-K466 PolarHBondContact O-N 2.92Å; P463-V467 PolarHBondContact O-N 3.44Å; P463-P551 HydrophobicContact CG-CB 3.99Å; P463-Y555 VanDerWaalsContact CD-CD1 3.49Å; P463-Y555 HydrophobicContact CG-CD1 4.01Å; P463-Y555 HydrophobicContact CG-CE1 3.77Å
464L97.8Very high95.8Very high1 Ų127 Ų271%0.00514%0.144CC..Hα-helixtrans-63.7-32.5-173.5-165.364.5000112.1V332 S333 Y335 F343 D345 I346 I462 K466 V467 D468V332-L464 HydrophobicContact CG2-CD1 4.01Å; S333-L464 VanDerWaalsContact O-CD2 3.23Å; S333-L464 WeakPolarHBondContact O-CD2 3.2Å; Y335-L464 HydrophobicContact CD2-CD1 4.36Å; Y335-L464 HydrophobicContact CE1-CD1 4.2Å; Y335-L464 HydrophobicContact CE2-CB 4.14Å; Y335-L464 HydrophobicContact CE2-CD1 3.9Å; F343-L464 PolarHBondContact O-N 2.97Å; D345-L464 WeakPolarHBondContact OD1-CA 3.29Å; D345-L464 PolarHBondContact OD1-N 3.35Å; I346-L464 HydrophobicContact CD1-CB 4.12Å; I346-L464 HydrophobicContact CD1-CD2 4.2Å; I346-L464 HydrophobicContact CD1-CG 3.98Å; I346-L464 HydrophobicContact CG1-CB 4.31Å; I462-L464 PolarHBondContact O-N 3.29Å; L464-K466 PolarHBondContact O-N 3.49Å; L464-V467 HydrophobicContact CD1-CB 4.32Å; L464-V467 HydrophobicContact CD1-CG2 4.43Å; L464-V467 WeakPolarHBondContact O-CB 3.47Å; L464-V467 PolarHBondContact O-N 2.92Å; L464-D468 PolarHBondContact O-N 2.77Å
465S98.2Very high96.1Very high32 Ų3225.8 Ų25.822%0.22414%0.138CC..Hα-helixtrans-55.2-36.5171.966.60000112.5D345 P463 D468 E469D345-S465 PolarHBondContact OD1-N 3.47Å; D345-S465 WeakPolarHBondContact OD2-CB 3.42Å; D345-S465 PolarHBondContact OD2-OG 3.48Å; P463-S465 PolarHBondContact O-N 3.34Å; S465-D468 PolarHBondContact O-N 2.9Å; S465-E469 PolarHBondContact O-N 2.79Å
466K98.6Very high96.5Very high33 Ų3323.9 Ų23.914%0.14313%0.13CC..Hα-helixtrans-75.1-29.8177.9-56.3-54174.6-171.20112.8I462 P463 L464 E469 N470 Y486 Y555I462-K466 HydrophobicContact CD1-CB 4.03Å; I462-K466 HydrophobicContact CG1-CB 4.48Å; P463-K466 HydrophobicContact CB-CG 4.23Å; P463-K466 WeakPolarHBondContact O-CB 3.26Å; P463-K466 PolarHBondContact O-N 2.92Å; L464-K466 PolarHBondContact O-N 3.49Å; K466-E469 WeakPolarHBondContact CD-OE1 3.14Å; K466-E469 IonicContact NZ-OE1 2.67Å; K466-E469 PolarHBondContact NZ-OE1 2.82Å; K466-E469 IonicContact NZ-OE2 3.71Å; K466-N470 VanDerWaalsContact O-CB 3.31Å; K466-N470 WeakPolarHBondContact O-CB 3.49Å; K466-N470 PolarHBondContact O-N 3.18Å; K466-N470 PolarHBondContact O-ND2 3.04Å; K466-Y486 HydrophobicContact CB-CD2 3.97Å; K466-Y486 HydrophobicContact CB-CG 3.95Å; K466-Y486 HydrophobicContact CD-CD1 4.16Å; K466-Y486 HydrophobicContact CD-CD2 3.9Å; K466-Y486 HydrophobicContact CD-CE1 4.07Å; K466-Y486 HydrophobicContact CD-CE2 3.84Å; K466-Y486 HydrophobicContact CD-CG 4.03Å; K466-Y486 HydrophobicContact CG-CD2 4.42Å; K466-Y486 HydrophobicContact CG-CG 4.26Å; K466-Y555 HydrophobicContact CD-CE2 4.29Å; K466-Y555 WeakPolarHBondContact CE-OH 3.41Å; K466-Y555 HydrophobicContact CG-CE1 4.11Å; K466-Y555 HydrophobicContact CG-CE2 4.14Å
467V98.6Very high97Very high0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-65.4-41.8168.5-176.70000110.4T271 Y335 I462 P463 L464 N470 I471T271-V467 HydrophobicContact CG2-CG2 4.26Å; Y335-V467 WeakPolarHBondContact OH-CG2 3.49Å; I462-V467 HydrophobicContact CD1-CG2 4.09Å; I462-V467 HydrophobicContact CG1-CG2 3.79Å; P463-V467 PolarHBondContact O-N 3.44Å; L464-V467 HydrophobicContact CD1-CB 4.32Å; L464-V467 HydrophobicContact CD1-CG2 4.43Å; L464-V467 WeakPolarHBondContact O-CB 3.47Å; L464-V467 PolarHBondContact O-N 2.92Å; V467-N470 WeakPolarHBondContact O-CB 3.45Å; V467-N470 PolarHBondContact O-N 3.34Å; V467-I471 WeakPolarHBondContact O-CG1 3.39Å; V467-I471 PolarHBondContact O-N 3.24Å
468D98.2Very high97.5Very high38 Ų3822.8 Ų22.820%0.20312%0.119CC..Hα-helixtrans-65.1-42.6176.6-80.10.4000111.9K326 S331 I346 L464 S465 N470 I471 A472K326-D468 IonicContact NZ-OD1 3.52Å; K326-D468 PolarHBondContact NZ-OD1 2.72Å; K326-D468 IonicContact NZ-OD2 3.37Å; K326-D468 PolarHBondContact NZ-OD2 3.42Å; S331-D468 VanDerWaalsContact CB-OD1 3.29Å; S331-D468 WeakPolarHBondContact CB-OD1 3.4Å; S331-D468 PolarHBondContact OG-OD1 3.37Å; I346-D468 WeakPolarHBondContact CD1-OD2 3.32Å; L464-D468 PolarHBondContact O-N 2.77Å; S465-D468 PolarHBondContact O-N 2.9Å; D468-N470 VanDerWaalsContact C-N 3.31Å; D468-N470 PolarHBondContact O-N 3.08Å; D468-I471 PolarHBondContact O-N 2.54Å; D468-A472 PolarHBondContact O-N 2.77Å
469E98.6Very high97.9Very high76 Ų7622.7 Ų22.736%0.35512%0.119SC..Hα-helixtrans-60.8-39.2171.8-73.8179-12400112.2S465 K466 I471 A472 T473 Y486S465-E469 PolarHBondContact O-N 2.79Å; K466-E469 WeakPolarHBondContact CD-OE1 3.14Å; K466-E469 IonicContact NZ-OE1 2.67Å; K466-E469 PolarHBondContact NZ-OE1 2.82Å; K466-E469 IonicContact NZ-OE2 3.71Å; E469-I471 VanDerWaalsContact C-N 3.35Å; E469-I471 PolarHBondContact O-N 3.33Å; E469-A472 PolarHBondContact O-N 2.84Å; E469-T473 PolarHBondContact O-N 3.39Å; E469-T473 PolarHBondContact O-OG1 3.43Å; E469-Y486 HydrophobicContact CB-CD2 4.27Å; E469-Y486 HydrophobicContact CB-CE2 3.88Å; E469-Y486 HydrophobicContact CG-CE2 4.47Å; E469-Y486 WeakPolarHBondContact OE2-CE2 3.43Å; E469-Y486 PolarHBondContact OE2-OH 3.01Å
470N98.8Very high98.2Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-65.4-36.2176.3-79.1-15.1000112.4P274 K466 V467 D468 T473 A474 F485 Y486P274-N470 VanDerWaalsContact CB-C 3.49Å; P274-N470 HydrophobicContact CB-CB 3.61Å; P274-N470 WeakPolarHBondContact CB-O 3.48Å; P274-N470 HydrophobicContact CG-CB 3.47Å; P274-N470 VanDerWaalsContact CG-CB 3.47Å; K466-N470 VanDerWaalsContact O-CB 3.31Å; K466-N470 WeakPolarHBondContact O-CB 3.49Å; K466-N470 PolarHBondContact O-N 3.18Å; K466-N470 PolarHBondContact O-ND2 3.04Å; V467-N470 WeakPolarHBondContact O-CB 3.45Å; V467-N470 PolarHBondContact O-N 3.34Å; D468-N470 VanDerWaalsContact C-N 3.31Å; D468-N470 PolarHBondContact O-N 3.08Å; N470-T473 WeakPolarHBondContact O-CB 3.39Å; N470-T473 PolarHBondContact O-N 3.29Å; N470-A474 WeakPolarHBondContact O-CB 3.2Å; N470-A474 PolarHBondContact O-N 3.38Å; N470-F485 HydrophobicContact CB-CD1 3.94Å; N470-F485 WeakPolarHBondContact O-CE1 3.41Å; N470-F485 WeakPolarHBondContact OD1-CA 3.16Å; N470-Y486 PolarHBondContact ND2-O 2.94Å; N470-Y486 WeakPolarHBondContact OD1-CD2 3.5Å; N470-Y486 PolarHBondContact OD1-N 3.21Å
471I98.5Very high98.3Very high12 Ų1225.4 Ų25.46%0.06213%0.134CC..Hα-helixtrans-63.1-43.9175.5-68.5-77.3000110.4C273 P274 M277 V467 D468 E469 T473 A474 L475C273-I471 HydrophobicContact CB-CD1 4.4Å; P274-I471 HydrophobicContact CB-CD1 3.95Å; P274-I471 HydrophobicContact CB-CG1 4.22Å; P274-I471 HydrophobicContact CG-CD1 4.41Å; M277-I471 HydrophobicContact CE-CD1 4.34Å; M277-I471 HydrophobicContact CE-CG2 4.42Å; M277-I471 HydrophobicContact SD-CD1 3.46Å; M277-I471 WeakPolarHBondContact SD-CD1 3.04Å; V467-I471 WeakPolarHBondContact O-CG1 3.39Å; V467-I471 PolarHBondContact O-N 3.24Å; D468-I471 PolarHBondContact O-N 2.54Å; E469-I471 VanDerWaalsContact C-N 3.35Å; E469-I471 PolarHBondContact O-N 3.33Å; I471-T473 VanDerWaalsContact C-N 3.3Å; I471-T473 PolarHBondContact O-N 3.27Å; I471-A474 PolarHBondContact O-N 3.13Å; I471-L475 PolarHBondContact O-N 2.95Å
472A98Very high98.4Very high59 Ų5930.7 Ų30.749%0.48816%0.162SC..Hα-helixtrans-63-37.9174.700000112.1D468 E469 L475D468-A472 PolarHBondContact O-N 2.77Å; E469-A472 PolarHBondContact O-N 2.84Å; A472-L475 PolarHBondContact O-N 2.86Å
473T98.7Very high98.4Very high20 Ų2033.1 Ų33.112%0.12317%0.173CC..Hα-helixtrans-65.9-41.6176.4-58.60000111.9E469 N470 I471 L475 K476 A479 E483 F485E469-T473 PolarHBondContact O-N 3.39Å; E469-T473 PolarHBondContact O-OG1 3.43Å; N470-T473 WeakPolarHBondContact O-CB 3.39Å; N470-T473 PolarHBondContact O-N 3.29Å; I471-T473 VanDerWaalsContact C-N 3.3Å; I471-T473 PolarHBondContact O-N 3.27Å; T473-L475 PolarHBondContact O-N 3.24Å; T473-K476 WeakPolarHBondContact O-CB 3.5Å; T473-K476 PolarHBondContact O-N 3.3Å; T473-A479 WeakPolarHBondContact O-CB 3.43Å; T473-E483 HydrophobicContact CG2-CB 3.56Å; T473-E483 HydrophobicContact CG2-CG 3.97Å; T473-F485 HydrophobicContact CG2-CD1 4.23Å; T473-F485 HydrophobicContact CG2-CE1 3.82Å; T473-F485 HydrophobicContact CG2-CE2 4.39Å; T473-F485 HydrophobicContact CG2-CZ 3.9Å
474A98.8Very high98.5Very high1 Ų138.4 Ų38.41%0.00820%0.196CC..Hα-helixtrans-64.5-24-179.700000114P274 M277 A278 N470 I471 K476 F485P274-A474 HydrophobicContact CB-CB 4.17Å; P274-A474 VanDerWaalsContact O-CB 3.28Å; P274-A474 WeakPolarHBondContact O-CB 3.33Å; M277-A474 HydrophobicContact CB-CB 3.91Å; M277-A474 HydrophobicContact CE-CB 4.14Å; A278-A474 HydrophobicContact CB-CB 4.45Å; N470-A474 WeakPolarHBondContact O-CB 3.2Å; N470-A474 PolarHBondContact O-N 3.38Å; I471-A474 PolarHBondContact O-N 3.13Å; A474-K476 VanDerWaalsContact C-N 3.32Å; A474-F485 HydrophobicContact CB-CE1 3.9Å; A474-F485 HydrophobicContact CB-CZ 4.29Å
475L98Very high98.5Very high17 Ų1738.4 Ų38.49%0.08920%0.196CC..Hα-helixtrans-68.2-32.5177.3-69.7173.8000112.6M277 W293 D294 C295 W297 I471 A472 T473M277-L475 HydrophobicContact CE-CD2 4.36Å; W293-L475 CarbonylContact C-O 3.27Å; W293-L475 WeakPolarHBondContact CA-O 3.2Å; W293-L475 VanDerWaalsContact CB-O 3.31Å; W293-L475 WeakPolarHBondContact CB-O 3.47Å; W293-L475 HydrophobicContact CD2-CB 4.2Å; W293-L475 HydrophobicContact CE3-CD2 4.49Å; W293-L475 HydrophobicContact CG-CB 4.22Å; W293-L475 HydrophobicContact CH2-CD1 4.22Å; W293-L475 HydrophobicContact CZ2-CD1 4.04Å; D294-L475 PolarHBondContact N-O 2.04Å; C295-L475 HydrophobicContact CB-CD2 4.17Å; W297-L475 HydrophobicContact CB-CD2 3.91Å; I471-L475 PolarHBondContact O-N 2.95Å; A472-L475 PolarHBondContact O-N 2.86Å; T473-L475 PolarHBondContact O-N 3.24Å
476K98.5Very high98.5Very high85 Ų8539.2 Ų39.237%0.3720%0.195SC..BIsolated β-bridgetrans-60.1146-171.5-61.2176.2-177.3176.40111.3T473 A474 D478 A479 E483T473-K476 WeakPolarHBondContact O-CB 3.5Å; T473-K476 PolarHBondContact O-N 3.3Å; A474-K476 VanDerWaalsContact C-N 3.32Å; K476-D478 PolarHBondContact O-N 2.93Å; K476-A479 HydrophobicContact CB-CB 4.37Å; K476-A479 VanDerWaalsContact O-CB 3.26Å; K476-A479 WeakPolarHBondContact O-CB 3.27Å; K476-A479 PolarHBondContact O-N 3.34Å; K476-E483 VanDerWaalsContact CD-CD 3.46Å; K476-E483 HydrophobicContact CD-CG 3.99Å; K476-E483 WeakPolarHBondContact CD-OE1 3.4Å; K476-E483 IonicContact NZ-OE1 3.93Å; K476-E483 PolarHBondContact NZ-OE1 2.87Å; K476-E483 IonicContact NZ-OE2 2.79Å; K476-E483 PolarHBondContact NZ-OE2 2.89Å
477R98.4Very high98.5Very high77 Ų7737.6 Ų37.629%0.29119%0.188SC..THydrogen-bonded Turntrans-55.9135.1173-179.3178.255.673.42.7111.5D292 A479D292-R477 WeakPolarHBondContact O-CB 3.44Å; D292-R477 PolarHBondContact O-N 3.46Å; D292-R477 IonicContact OD1-CZ 3.39Å; D292-R477 IonicContact OD1-NE 2.94Å; D292-R477 PolarHBondContact OD1-NE 3.1Å; D292-R477 IonicContact OD1-NH2 3Å; D292-R477 PolarHBondContact OD1-NH2 2.9Å; R477-A479 PolarHBondContact O-N 2.7Å
478D98.6Very high98.3Very high10 Ų1037.8 Ų37.85%0.05319%0.189CC..THydrogen-bonded Turntrans55.826-178.6-65.6-58.3000113.8D294 K476 V480 L481 N482 K614D294-D478 PolarHBondContact OD2-N 3.04Å; K476-D478 PolarHBondContact O-N 2.93Å; D478-V480 PolarHBondContact O-N 2.78Å; D478-V480 VanDerWaalsContact O-N 3.14Å; D478-L481 PolarHBondContact O-N 3.11Å; D478-N482 VanDerWaalsContact CB-ND2 3.26Å; D478-N482 WeakPolarHBondContact CB-ND2 3.49Å; D478-N482 PolarHBondContact O-N 2.63Å; D478-K614 WeakPolarHBondContact OD1-CD 3.44Å; D478-K614 IonicContact OD1-NZ 3.12Å; D478-K614 PolarHBondContact OD1-NZ 3.23Å; D478-K614 IonicContact OD2-NZ 3.17Å; D478-K614 PolarHBondContact OD2-NZ 2.76Å
479A98.8Very high97.9Very high3 Ų338.5 Ų38.53%0.02519%0.191CC..Hα-helixtrans-54.9-36.2-177.200000113.4A278 T473 K476 R477 L481 E483 F485A278-A479 HydrophobicContact CB-CB 4.42Å; T473-A479 WeakPolarHBondContact O-CB 3.43Å; K476-A479 HydrophobicContact CB-CB 4.37Å; K476-A479 VanDerWaalsContact O-CB 3.26Å; K476-A479 WeakPolarHBondContact O-CB 3.27Å; K476-A479 PolarHBondContact O-N 3.34Å; R477-A479 PolarHBondContact O-N 2.7Å; A479-L481 PolarHBondContact O-N 3.47Å; A479-E483 HydrophobicContact CB-CB 4.26Å; A479-E483 HydrophobicContact CB-CG 4Å; A479-E483 WeakPolarHBondContact O-CB 3.39Å; A479-E483 PolarHBondContact O-N 3.05Å; A479-E483 VanDerWaalsContact O-N 3.11Å; A479-F485 HydrophobicContact CB-CZ 4.22Å
480V98.7Very high97.2Very high7 Ų735.3 Ų35.34%0.04218%0.178CC..Hα-helixtrans-57.5-30.8175.665.80000113.5A278 L279 D478 V560 T611A278-V480 HydrophobicContact CB-CB 4.24Å; A278-V480 WeakPolarHBondContact O-CB 3.23Å; L279-V480 HydrophobicContact CD2-CG2 4.08Å; D478-V480 PolarHBondContact O-N 2.78Å; D478-V480 VanDerWaalsContact O-N 3.14Å; V480-V560 HydrophobicContact CG2-CB 4.13Å; V480-V560 HydrophobicContact CG2-CG1 4.03Å; V480-V560 HydrophobicContact CG2-CG2 4.33Å; V480-T611 HydrophobicContact CG1-CG2 3.8Å
481L98.4Very high96.3Very high61 Ų6140.3 Ų40.332%0.31920%0.201SC..Hα-helixtrans-98.1-40.4-176.9-56-179000112.4D478 A479 G607 K614D478-L481 PolarHBondContact O-N 3.11Å; A479-L481 PolarHBondContact O-N 3.47Å; L481-G607 VanDerWaalsContact CD2-CA 3.41Å; L481-K614 HydrophobicContact CD1-CD 3.83Å
482N98.3Very high95.8Very high111 Ų11141.5 Ų41.559%0.59421%0.207SC*.Hα-helixtrans-107.8-20.7-162.6-64-28.9000114D478D478-N482 VanDerWaalsContact CB-ND2 3.26Å; D478-N482 WeakPolarHBondContact CB-ND2 3.49Å; D478-N482 PolarHBondContact O-N 2.63Å
483E98.6Very high95.2Very high52 Ų5238.7 Ų38.724%0.24318%0.184CC..  trans-101.1162.3-173.9-62.1-74.2158.900111.8T473 K476 A479 F485T473-E483 HydrophobicContact CG2-CB 3.56Å; T473-E483 HydrophobicContact CG2-CG 3.97Å; K476-E483 VanDerWaalsContact CD-CD 3.46Å; K476-E483 HydrophobicContact CD-CG 3.99Å; K476-E483 WeakPolarHBondContact CD-OE1 3.4Å; K476-E483 IonicContact NZ-OE1 3.93Å; K476-E483 PolarHBondContact NZ-OE1 2.87Å; K476-E483 IonicContact NZ-OE2 2.79Å; K476-E483 PolarHBondContact NZ-OE2 2.89Å; A479-E483 HydrophobicContact CB-CB 4.26Å; A479-E483 HydrophobicContact CB-CG 4Å; A479-E483 WeakPolarHBondContact O-CB 3.39Å; A479-E483 PolarHBondContact O-N 3.05Å; A479-E483 VanDerWaalsContact O-N 3.11Å; E483-F485 HydrophobicContact CB-CE2 4.28Å
484K98.7Very high93.9Very high112 Ų11238.7 Ų38.749%0.48718%0.184SC..EExtended strand (participates in β ladder)trans-117.3144170.5-63.6-169.2176.6-165.30109.5L557 M558K484-L557 HydrophobicContact CB-CB 4.04Å; K484-L557 HydrophobicContact CB-CD2 4.17Å; K484-L557 HydrophobicContact CD-CB 4.21Å; K484-M558 CarbonylContact C-O 3.58Å; K484-M558 WeakPolarHBondContact CA-O 3.09Å
485F98.8Very high91.8Very high0 Ų041.2 Ų41.20%020%0.2CC..EExtended strand (participates in β ladder)trans-114.2142.9-178-65.4-94.8000109.3P274 I275 A278 N470 T473 A474 A479 E483 F487 L557 M558 V560 I563P274-F485 HydrophobicContact CB-CD1 4.47Å; P274-F485 HydrophobicContact CB-CE1 4.44Å; I275-F485 HydrophobicContact CD1-CB 3.52Å; I275-F485 HydrophobicContact CD1-CD1 3.75Å; I275-F485 HydrophobicContact CD1-CD2 4.13Å; I275-F485 HydrophobicContact CD1-CG 3.51Å; A278-F485 HydrophobicContact CB-CE2 4.34Å; A278-F485 HydrophobicContact CB-CZ 3.82Å; N470-F485 HydrophobicContact CB-CD1 3.94Å; N470-F485 WeakPolarHBondContact O-CE1 3.41Å; N470-F485 WeakPolarHBondContact OD1-CA 3.16Å; T473-F485 HydrophobicContact CG2-CD1 4.23Å; T473-F485 HydrophobicContact CG2-CE1 3.82Å; T473-F485 HydrophobicContact CG2-CE2 4.39Å; T473-F485 HydrophobicContact CG2-CZ 3.9Å; A474-F485 HydrophobicContact CB-CE1 3.9Å; A474-F485 HydrophobicContact CB-CZ 4.29Å; A479-F485 HydrophobicContact CB-CZ 4.22Å; E483-F485 HydrophobicContact CB-CE2 4.28Å; F485-F487 PolarHBondContact O-N 2.93Å; F485-L557 CarbonylContact O-C 3.57Å; F485-L557 WeakPolarHBondContact O-CA 3.27Å; F485-M558 PolarHBondContact N-O 3.22Å; F485-M558 PolarHBondContact O-N 2.9Å; F485-V560 HydrophobicContact CD2-CG2 3.81Å; F485-V560 HydrophobicContact CE2-CG2 3.55Å; F485-V560 HydrophobicContact CZ-CG2 4.44Å; F485-I563 HydrophobicContact CB-CD1 4.18Å
486Y98.6Very high89.6Confident49 Ų4945.5 Ų45.519%0.19222%0.223CC..EExtended strand (participates in β ladder)trans-64.9123.5167.4-59.5-77.6000108.5I462 K466 E469 N470 Y555 M556 L557I462-Y486 VanDerWaalsContact CD1-O 3.25Å; I462-Y486 WeakPolarHBondContact CD1-O 3.32Å; K466-Y486 HydrophobicContact CB-CD2 3.97Å; K466-Y486 HydrophobicContact CB-CG 3.95Å; K466-Y486 HydrophobicContact CD-CD1 4.16Å; K466-Y486 HydrophobicContact CD-CD2 3.9Å; K466-Y486 HydrophobicContact CD-CE1 4.07Å; K466-Y486 HydrophobicContact CD-CE2 3.84Å; K466-Y486 HydrophobicContact CD-CG 4.03Å; K466-Y486 HydrophobicContact CG-CD2 4.42Å; K466-Y486 HydrophobicContact CG-CG 4.26Å; E469-Y486 HydrophobicContact CB-CD2 4.27Å; E469-Y486 HydrophobicContact CB-CE2 3.88Å; E469-Y486 HydrophobicContact CG-CE2 4.47Å; E469-Y486 WeakPolarHBondContact OE2-CE2 3.43Å; E469-Y486 PolarHBondContact OE2-OH 3.01Å; N470-Y486 PolarHBondContact ND2-O 2.94Å; N470-Y486 WeakPolarHBondContact OD1-CD2 3.5Å; N470-Y486 PolarHBondContact OD1-N 3.21Å; Y486-Y555 AromaticContact CD1-CD2 3.5Å; Y486-Y555 HydrophobicContact CD1-CD2 3.5Å; Y486-Y555 VanDerWaalsContact CD1-CD2 3.5Å; Y486-Y555 AromaticContact CD1-CE2 3.42Å; Y486-Y555 HydrophobicContact CD1-CE2 3.42Å; Y486-Y555 VanDerWaalsContact CD1-CE2 3.42Å; Y486-Y555 HydrophobicContact CE1-CD2 4.33Å; Y486-Y555 AromaticContact CE1-CE2 3.81Å; Y486-Y555 HydrophobicContact CE1-CE2 3.81Å; Y486-Y555 HydrophobicContact CG-CD2 4.18Å; Y486-Y555 HydrophobicContact CG-CE2 4.31Å; Y486-M556 CarbonylContact C-O 3.51Å; Y486-M556 WeakPolarHBondContact CA-O 3.26Å; Y486-L557 HydrophobicContact CD1-CD2 3.71Å; Y486-L557 HydrophobicContact CD1-CG 4.15Å; Y486-L557 HydrophobicContact CD2-CD2 4.38Å; Y486-L557 HydrophobicContact CE1-CD2 3.82Å; Y486-L557 HydrophobicContact CE1-CG 4.15Å; Y486-L557 HydrophobicContact CE2-CD2 4.43Å; Y486-L557 HydrophobicContact CG-CD2 4.06Å
487F97.7Very high87.3Confident0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-142.2153.6-179.4-160.7-104.4000110M272 L460 F485 Q489 I493 Y555 M556 M558 I563 L573M272-F487 HydrophobicContact SD-CE2 3.68Å; M272-F487 HydrophobicContact SD-CZ 4.05Å; L460-F487 HydrophobicContact CD2-CZ 4.04Å; F485-F487 PolarHBondContact O-N 2.93Å; F487-Q489 PolarHBondContact O-N 3.22Å; F487-I493 HydrophobicContact CD1-CD1 4.45Å; F487-I493 HydrophobicContact CE1-CD1 3.81Å; F487-Y555 CarbonylContact O-C 3.46Å; F487-Y555 WeakPolarHBondContact O-CA 3.36Å; F487-Y555 WeakPolarHBondContact O-CB 3.35Å; F487-M556 PolarHBondContact N-O 3.29Å; F487-M556 PolarHBondContact O-N 3.27Å; F487-M558 HydrophobicContact CB-CB 4.38Å; F487-M558 HydrophobicContact CB-CG 4.37Å; F487-M558 HydrophobicContact CB-SD 4.07Å; F487-M558 HydrophobicContact CD1-SD 3.99Å; F487-M558 HydrophobicContact CG-SD 4.48Å; F487-I563 HydrophobicContact CB-CD1 3.79Å; F487-I563 HydrophobicContact CB-CG1 3.99Å; F487-I563 HydrophobicContact CD1-CD1 4.47Å; F487-I563 HydrophobicContact CD1-CG1 3.94Å; F487-I563 HydrophobicContact CD1-CG2 4.18Å; F487-I563 HydrophobicContact CD2-CD1 3.87Å; F487-I563 HydrophobicContact CD2-CG1 4.17Å; F487-I563 HydrophobicContact CD2-CG2 4.08Å; F487-I563 HydrophobicContact CE1-CG2 3.91Å; F487-I563 HydrophobicContact CE2-CG2 3.81Å; F487-I563 HydrophobicContact CG-CD1 3.78Å; F487-I563 HydrophobicContact CG-CG1 3.75Å; F487-I563 HydrophobicContact CG-CG2 4.26Å; F487-I563 HydrophobicContact CZ-CG2 3.72Å; F487-L573 HydrophobicContact CZ-CD1 4Å; F487-L573 HydrophobicContact CZ-CD2 4.45Å; F487-L573 HydrophobicContact CZ-CG 4.44Å
488K94.5Very high84.9Confident4 Ų442.8 Ų42.82%0.01723%0.228CC..EExtended strand (participates in β ladder)trans-53.4135.1179-165.484.5174-169.60110.2N459 L461 I462 G490 L492 I493 S554N459-K488 WeakPolarHBondContact O-CD 3.46Å; N459-K488 WeakPolarHBondContact O-CG 3.47Å; L461-K488 WeakPolarHBondContact O-CD 3.48Å; L461-K488 PolarHBondContact O-NZ 3.02Å; I462-K488 HydrophobicContact CG2-CB 4.39Å; I462-K488 HydrophobicContact CG2-CD 4.39Å; K488-G490 PolarHBondContact O-N 3.23Å; K488-L492 HydrophobicContact CG-CB 4.24Å; K488-I493 HydrophobicContact CB-CD1 4.2Å; K488-I493 HydrophobicContact CB-CG1 3.77Å; K488-I493 HydrophobicContact CG-CG1 3.71Å; K488-S554 WeakPolarHBondContact CA-O 3.48Å; K488-S554 WeakPolarHBondContact CD-O 3.43Å
489Q90.5Very high82.5Confident53 Ų5343.8 Ų43.825%0.24824%0.235CC..  trans-58.9130.2173.4-60.6-166.136.500109.5F487 H491 L492 D553 S554 Y555 M556F487-Q489 PolarHBondContact O-N 3.22Å; Q489-H491 PolarHBondContact O-N 2.65Å; Q489-H491 PolarHBondContact OE1-CE1 3.22Å; Q489-L492 HydrophobicContact CB-CD1 4.07Å; Q489-L492 HydrophobicContact CB-CG 4.22Å; Q489-L492 WeakPolarHBondContact O-CA 3.06Å; Q489-L492 WeakPolarHBondContact O-CB 2.91Å; Q489-L492 PolarHBondContact O-N 3.05Å; Q489-D553 PolarHBondContact NE2-O 3.42Å; Q489-S554 PolarHBondContact N-O 2.87Å; Q489-Y555 PolarHBondContact NE2-O 2.84Å; Q489-M556 HydrophobicContact CG-CB 4.12Å; Q489-M556 HydrophobicContact CG-CG 4.1Å; Q489-M556 HydrophobicContact CG-SD 4.37Å
490G83.5Confident80.1Confident9 Ų947.5 Ų47.59%0.09326%0.257CS..G310 helixtrans-55.8-32-169.500000114.8K488 L492 I493K488-G490 PolarHBondContact O-N 3.23Å; G490-L492 PolarHBondContact O-N 3.16Å; G490-I493 PolarHBondContact O-N 3.49Å
491H80.5Confident78.1Confident105 Ų10551.4 Ų51.449%0.48628%0.278SS..G310 helixtrans-74.9-9.3178.575.6-91.3000114.3Q489 P499Q489-H491 PolarHBondContact O-N 2.65Å; Q489-H491 PolarHBondContact OE1-CE1 3.22Å; H491-P499 VanDerWaalsContact CA-CG 3.41Å; H491-P499 HydrophobicContact CB-CB 4.32Å; H491-P499 HydrophobicContact CB-CG 3.79Å; H491-P499 VanDerWaalsContact O-CG 3.23Å; H491-P499 WeakPolarHBondContact O-CG 3.39Å
492L86.4Confident76Confident36 Ų3650.1 Ų50.119%0.18827%0.271CS..G310 helixtrans-1061.5179.5-59.1-179.6000113.2K488 Q489 G490 V549K488-L492 HydrophobicContact CG-CB 4.24Å; Q489-L492 HydrophobicContact CB-CD1 4.07Å; Q489-L492 HydrophobicContact CB-CG 4.22Å; Q489-L492 WeakPolarHBondContact O-CA 3.06Å; Q489-L492 WeakPolarHBondContact O-CB 2.91Å; Q489-L492 PolarHBondContact O-N 3.05Å; G490-L492 PolarHBondContact O-N 3.16Å; L492-V549 HydrophobicContact CD1-CG1 3.93Å; L492-V549 HydrophobicContact CD1-CG2 4.31Å; L492-V549 HydrophobicContact CD2-CG2 3.97Å
493I86.9Confident73.8Confident0 Ų046.2 Ų46.20%025%0.254CS..SBendtrans-78.6-36.8-177.4-70.7174.4000111.4L458 N459 L460 F487 K488 G490 F570L458-I493 WeakPolarHBondContact CA-O 3.36Å; L458-I493 HydrophobicContact CB-CG2 4.2Å; L458-I493 HydrophobicContact CD2-CG2 4.01Å; N459-I493 PolarHBondContact N-O 2.89Å; L460-I493 HydrophobicContact CD2-CD1 4.38Å; L460-I493 HydrophobicContact CD2-CG1 4.37Å; L460-I493 HydrophobicContact CD2-CG2 3.98Å; F487-I493 HydrophobicContact CD1-CD1 4.45Å; F487-I493 HydrophobicContact CE1-CD1 3.81Å; K488-I493 HydrophobicContact CB-CD1 4.2Å; K488-I493 HydrophobicContact CB-CG1 3.77Å; K488-I493 HydrophobicContact CG-CG1 3.71Å; G490-I493 PolarHBondContact O-N 3.49Å; I493-F570 HydrophobicContact CD1-CD2 3.99Å; I493-F570 HydrophobicContact CD1-CE1 4.43Å; I493-F570 HydrophobicContact CD1-CE2 3.37Å; I493-F570 HydrophobicContact CD1-CZ 3.61Å
494T70.3Confident71.6Confident21 Ų2149.9 Ų49.913%0.12927%0.269CS..  trans-104.3132.6-176.357.80000111.2L458 L502L458-T494 HydrophobicContact CD2-CG2 3.96Å; T494-L502 HydrophobicContact CG2-CD1 4.14Å; T494-L502 HydrophobicContact CG2-CD2 4.1Å
495T54.1Low69.4Low53 Ų5346.4 Ų46.433%0.32526%0.259SS..SBendtrans-94.6-23.5-175.852.60000114.2N457 F546N457-T495 WeakPolarHBondContact CB-OG1 3.34Å; T495-F546 HydrophobicContact CG2-CD1 4.29Å; T495-F546 HydrophobicContact CG2-CE1 3.85Å
496D53.2Low67Low108 Ų10846.7 Ų46.758%0.57826%0.261SS*.SBendtrans-114.77.4-160.6-52-17.3000113.7N457N457-D496 PolarHBondContact ND2-OD2 2.76Å
497G49.1Very low64.6Low30 Ų3047.6 Ų47.631%0.30927%0.274SS..SBendtrans-159.2158.6176.300000111.1
498T48.2Very low62.2Low75 Ų7555.4 Ų55.446%0.4631%0.308SS..  trans-62.7137.7172.369.20000107.8V500 D501 L502T498-V500 PolarHBondContact O-N 2.92Å; T498-D501 PolarHBondContact O-N 3.08Å; T498-D501 PolarHBondContact OG1-N 3.23Å; T498-D501 PolarHBondContact OG1-OD2 3.49Å; T498-L502 PolarHBondContact O-N 2.89Å
499P48.7Very low59.8Low31 Ų3157.1 Ų57.120%0.20132%0.316CS..Hα-helixtrans-50.5-24.9173.7-28.533.9000112.4H491 A503H491-P499 VanDerWaalsContact CA-CG 3.41Å; H491-P499 HydrophobicContact CB-CB 4.32Å; H491-P499 HydrophobicContact CB-CG 3.79Å; H491-P499 VanDerWaalsContact O-CG 3.23Å; H491-P499 WeakPolarHBondContact O-CG 3.39Å; P499-A503 WeakPolarHBondContact O-CA 3.44Å; P499-A503 WeakPolarHBondContact O-CB 3.31Å; P499-A503 PolarHBondContact O-N 3Å
500V49.5Very low57.4Low81 Ų8162.1 Ų62.149%0.49134%0.337SS..Hα-helixtrans-67.3-38.6173.2179.40000112.7T498 K504T498-V500 PolarHBondContact O-N 2.92Å; V500-K504 HydrophobicContact CG1-CD 4.08Å; V500-K504 HydrophobicContact CG1-CG 4.4Å; V500-K504 WeakPolarHBondContact O-CB 3.36Å; V500-K504 WeakPolarHBondContact O-CG 3.25Å; V500-K504 PolarHBondContact O-N 3.41Å
501D55Low55.3Low89 Ų8966.7 Ų66.748%0.47635%0.354SS..Hα-helixtrans-72.5-41.3179.6-63.3-42.1000111.3T498 K504 S505T498-D501 PolarHBondContact O-N 3.08Å; T498-D501 PolarHBondContact OG1-N 3.23Å; T498-D501 PolarHBondContact OG1-OD2 3.49Å; D501-K504 PolarHBondContact O-N 3.24Å; D501-S505 PolarHBondContact O-N 3.18Å
502L55.9Low53.2Low34 Ų3468.8 Ų68.818%0.17837%0.369CS..Hα-helixtrans-69.5-40.6171.1-112.3113.4000111.8T494 T498 K504 S505 C506 L576T494-L502 HydrophobicContact CG2-CD1 4.14Å; T494-L502 HydrophobicContact CG2-CD2 4.1Å; T498-L502 PolarHBondContact O-N 2.89Å; L502-K504 VanDerWaalsContact C-N 3.27Å; L502-K504 PolarHBondContact O-N 2.88Å; L502-S505 PolarHBondContact O-N 2.94Å; L502-S505 PolarHBondContact O-OG 3.42Å; L502-C506 WeakPolarHBondContact O-CB 3.11Å; L502-C506 PolarHBondContact O-N 3.42Å; L502-C506 PolarHBondContact O-SG 3.38Å; L502-L576 HydrophobicContact CD2-CD2 3.17Å
503A50.8Low50.7Low28 Ų2874.4 Ų74.423%0.23139%0.388CS..Hα-helixtrans-63.3-34.6173.100000111.2P499 C506 S507P499-A503 WeakPolarHBondContact O-CA 3.44Å; P499-A503 WeakPolarHBondContact O-CB 3.31Å; P499-A503 PolarHBondContact O-N 3Å; A503-C506 CarbonylContact O-C 3.51Å; A503-S507 WeakPolarHBondContact O-CA 3.46Å; A503-S507 WeakPolarHBondContact O-CB 3.49Å; A503-S507 PolarHBondContact O-N 3.02Å; A503-S507 PolarHBondContact O-OG 2.92Å
504K52.2Low48.2Very low129 Ų12978.9 Ų78.956%0.56142%0.415SS*.Hα-helixtrans-70.5-44.1173.8-82.9173.5-177.7171.90111.8V500 D501 L502 C506 S507V500-K504 HydrophobicContact CG1-CD 4.08Å; V500-K504 HydrophobicContact CG1-CG 4.4Å; V500-K504 WeakPolarHBondContact O-CB 3.36Å; V500-K504 WeakPolarHBondContact O-CG 3.25Å; V500-K504 PolarHBondContact O-N 3.41Å; D501-K504 PolarHBondContact O-N 3.24Å; L502-K504 VanDerWaalsContact C-N 3.27Å; L502-K504 PolarHBondContact O-N 2.88Å; K504-C506 VanDerWaalsContact C-N 3.27Å; K504-C506 PolarHBondContact O-N 3.03Å; K504-S507 WeakPolarHBondContact CA-OG 3.47Å; K504-S507 PolarHBondContact O-N 2.91Å; K504-S507 PolarHBondContact O-OG 3.19Å
505S52.1Low46.5Very low39 Ų3981 Ų8127%0.27342%0.421SS..Hα-helixtrans-61.3-42.4174.677.40000110.3D501 L502D501-S505 PolarHBondContact O-N 3.18Å; L502-S505 PolarHBondContact O-N 2.94Å; L502-S505 PolarHBondContact O-OG 3.42Å
506C49.8Very low45.5Very low6 Ų682.7 Ų82.74%0.04144%0.435CS..Hα-helixtrans-74.9-25.5178.2-63.60000113.4L502 A503 K504 K508 F509 P571 P575L502-C506 WeakPolarHBondContact O-CB 3.11Å; L502-C506 PolarHBondContact O-N 3.42Å; L502-C506 PolarHBondContact O-SG 3.38Å; A503-C506 CarbonylContact O-C 3.51Å; K504-C506 VanDerWaalsContact C-N 3.27Å; K504-C506 PolarHBondContact O-N 3.03Å; C506-K508 PolarHBondContact O-N 2.88Å; C506-K508 VanDerWaalsContact O-N 3.16Å; C506-F509 WeakPolarHBondContact O-CA 3.29Å; C506-F509 VanDerWaalsContact O-CB 3.3Å; C506-F509 WeakPolarHBondContact O-CB 3.29Å; C506-F509 PolarHBondContact O-N 2.91Å; C506-P571 HydrophobicContact CB-CB 3.78Å; C506-P575 HydrophobicContact CB-CB 4.45Å
507S48.5Very low44.6Very low68 Ų6882.3 Ų82.348%0.47644%0.437SS..Hα-helixtrans-65.8-18.3-179.168.60000113A503 K504 F509 K510A503-S507 WeakPolarHBondContact O-CA 3.46Å; A503-S507 WeakPolarHBondContact O-CB 3.49Å; A503-S507 PolarHBondContact O-N 3.02Å; A503-S507 PolarHBondContact O-OG 2.92Å; K504-S507 WeakPolarHBondContact CA-OG 3.47Å; K504-S507 PolarHBondContact O-N 2.91Å; K504-S507 PolarHBondContact O-OG 3.19Å; S507-F509 PolarHBondContact O-N 3.26Å; S507-K510 VanDerWaalsContact O-CG 3.3Å; S507-K510 WeakPolarHBondContact O-CG 3.31Å
508K47Very low43.5Very low165 Ų16589.3 Ų89.372%0.71746%0.462SS*.THydrogen-bonded Turntrans-64.8-23.1168-64.3-174.6-179.7-179.70111.7C506 K510C506-K508 PolarHBondContact O-N 2.88Å; C506-K508 VanDerWaalsContact O-N 3.16Å; K508-K510 PolarHBondContact O-N 3.47Å
509F43.4Very low42.6Very low39 Ų3990.9 Ų90.917%0.17147%0.474CS..SBendtrans-97.755.3175.8-48.4-62.5000111.3C506 S507 H579 Q582C506-F509 WeakPolarHBondContact O-CA 3.29Å; C506-F509 VanDerWaalsContact O-CB 3.3Å; C506-F509 WeakPolarHBondContact O-CB 3.29Å; C506-F509 PolarHBondContact O-N 2.91Å; S507-F509 PolarHBondContact O-N 3.26Å; F509-H579 HydrophobicContact CE2-CB 4.3Å; F509-Q582 VanDerWaalsContact CE1-CD 3.46Å
510K39.8Very low41.5Very low159 Ų15995.7 Ų95.769%0.69150%0.498SS*.  trans-49.3142.4-175.4-72.7-171.4176.3179.90113.7S507 K508 N512 R513S507-K510 VanDerWaalsContact O-CG 3.3Å; S507-K510 WeakPolarHBondContact O-CG 3.31Å; K508-K510 PolarHBondContact O-N 3.47Å; K510-N512 PolarHBondContact O-N 3.41Å; K510-R513 PolarHBondContact O-N 2.96Å; K510-R513 VanDerWaalsContact O-N 3.13Å
511F39.6Very low40.6Very low104 Ų104102 Ų10246%0.45652%0.519SS..THydrogen-bonded Turntrans-42.4-25.7177.3-130.5-88.1000116.8N565F511-N565 HydrophobicContact CE1-CB 3.71Å; F511-N565 VanDerWaalsContact CE2-C 3.42Å; F511-N565 HydrophobicContact CE2-CB 3.98Å; F511-N565 WeakPolarHBondContact CE2-O 3.46Å; F511-N565 HydrophobicContact CZ-CB 3.33Å
512N37.3Very low39.6Very low149 Ų149102.3 Ų102.380%0.79753%0.529SS*.THydrogen-bonded Turntrans-112.78.8-171.8-71.5-1.5000114.6K510 T514K510-N512 PolarHBondContact O-N 3.41Å; N512-T514 PolarHBondContact O-N 2.83Å
513R33.7Very low38.2Very low155 Ų155105.6 Ų105.659%0.58555%0.547SS*.  trans-78108.6170-106.7-174.3176.2179-1.9108.6K510 Y515K510-R513 PolarHBondContact O-N 2.96Å; K510-R513 VanDerWaalsContact O-N 3.13Å; R513-Y515 PolarHBondContact O-N 3.28Å
514T34.2Very low37.2Very low94 Ų94109.5 Ų109.558%0.57757%0.572SS**  trans-58122.3146.216.50000106.3N512 S516N512-T514 PolarHBondContact O-N 2.83Å; T514-S516 PolarHBondContact O-N 2.7Å
515Y35.1Very low36.1Very low65 Ų65109.6 Ų109.626%0.25558%0.579SS.*  trans-72.367.1172.8-71.1-91000108.4R513 R578 N595R513-Y515 PolarHBondContact O-N 3.28Å; Y515-R578 VanDerWaalsContact CE2-CZ 3.41Å; Y515-R578 VanDerWaalsContact CZ-CD 3.44Å; Y515-R578 WeakPolarHBondContact OH-CD 3.39Å; Y515-N595 HydrophobicContact CG-CB 4.49Å
516S31.7Very low34.9Very low88 Ų88112.8 Ų112.862%0.61560%0.6SS**  trans-86.7132.1174.3-179.40000109.2T514 Q518T514-S516 PolarHBondContact O-N 2.7Å; S516-Q518 VanDerWaalsContact C-N 3.27Å; S516-Q518 PolarHBondContact O-N 3.25Å
517T34Very low33.7Very low101 Ų101117.9 Ų117.962%0.6263%0.631SS**  trans-82.219.8-169.646.10000115.1C519T517-C519 VanDerWaalsContact C-N 3.33Å; T517-C519 PolarHBondContact O-N 2.74Å
518Q27.7Very low32.7Very low177 Ų177122.1 Ų122.183%0.82764%0.641SS**  trans-74.394.5164.4-76-169.9-4.800108.8S516 D520S516-Q518 VanDerWaalsContact C-N 3.27Å; S516-Q518 PolarHBondContact O-N 3.25Å; Q518-D520 PolarHBondContact O-N 2.86Å
519C27.9Very low31.8Very low107 Ų107119.2 Ų119.272%0.72364%0.642SS**  trans-55.5106.6164-89.40000108.4T517 F521T517-C519 VanDerWaalsContact C-N 3.33Å; T517-C519 PolarHBondContact O-N 2.74Å; C519-F521 PolarHBondContact O-N 2.97Å; C519-F521 VanDerWaalsContact O-N 3.17Å
520D26.4Very low30.9Very low132 Ų132128.1 Ų128.171%0.70667%0.674SS**  trans-65.4111.3159.7-100.2-27.8000107.3Q518 S522 D523Q518-D520 PolarHBondContact O-N 2.86Å; D520-S522 PolarHBondContact O-N 2.73Å; D520-D523 PolarHBondContact O-N 3.07Å
521F30.7Very low30.2Very low213 Ų213127.3 Ų127.393%0.93468%0.678SS**THydrogen-bonded Turntrans-614.7178.1-78.1-86.7000114C519C519-F521 PolarHBondContact O-N 2.97Å; C519-F521 VanDerWaalsContact O-N 3.17Å
522S32.9Very low29.5Very low97 Ų97130.5 Ų130.568%0.67869%0.694SS**THydrogen-bonded Turntrans-99.9-3.318056.30000115.2D520 S524D520-S522 PolarHBondContact O-N 2.73Å; S522-S524 PolarHBondContact O-N 3.27Å
523D28.1Very low29Very low102 Ų102131.6 Ų131.655%0.54569%0.694SS.*  trans-91.297.4-176.4-143.3-17.3000112.2D520 N525D520-D523 PolarHBondContact O-N 3.07Å; D523-N525 PolarHBondContact O-N 2.56Å; D523-N525 VanDerWaalsContact O-N 3.1Å
524S29.9Very low28.7Very low110 Ų110135 Ų13577%0.76971%0.708SS**THydrogen-bonded Turntrans-73.99.6-176.254.20000115.2S522S522-S524 PolarHBondContact O-N 3.27Å
525N28.1Very low28.3Very low132 Ų132136.6 Ų136.671%0.70672%0.718SS**THydrogen-bonded Turntrans-102.110.7-177.7-76.9-31.6000114.5D523 T527D523-N525 PolarHBondContact O-N 2.56Å; D523-N525 VanDerWaalsContact O-N 3.1Å; N525-T527 PolarHBondContact O-N 3.07Å
526C27.2Very low27.8Very low106 Ų106140.8 Ų140.872%0.71675%0.745SS**  trans-82.159.6175.7-1530000111.5
527T25.4Very low27.6Very low112 Ų112142.9 Ų142.969%0.68775%0.754SS**  trans-95.1105.7169.8400000109.4N525 S529N525-T527 PolarHBondContact O-N 3.07Å; T527-S529 PolarHBondContact O-N 2.89Å; T527-S529 VanDerWaalsContact O-N 3.12Å
528F27.7Very low27.3Very low158 Ų158142.9 Ų142.969%0.69376%0.758SS**  trans-67.599.5165.3-86.5-91.4000108.9R530 L588F528-R530 PolarHBondContact O-N 3.42Å; F528-L588 HydrophobicContact CZ-CD2 4.43Å
529S26.5Very low27.4Very low103 Ų103138.8 Ų138.872%0.7275%0.749SS**  trans-76.2107.5170.7-47.50000109.2T527 D531T527-S529 PolarHBondContact O-N 2.89Å; T527-S529 VanDerWaalsContact O-N 3.12Å; S529-D531 PolarHBondContact O-N 2.96Å
530R24.3Very low27.4Very low226 Ų226139 Ų13985%0.85375%0.75SS**  trans-77.894.3165.5-115.7178.8159.4174.7-6107.7F528F528-R530 PolarHBondContact O-N 3.42Å
531D25.5Very low27.5Very low143 Ų143139.4 Ų139.477%0.76575%0.752SS**  trans-119.289.5163.1-83.8-37.1000109.3S529 Q533S529-D531 PolarHBondContact O-N 2.96Å; D531-Q533 VanDerWaalsContact C-N 3.35Å; D531-Q533 PolarHBondContact O-N 2.76Å
532E25.9Very low27.5Very low171 Ų171134.5 Ų134.580%0.79974%0.744SS**  trans-77.486.9161-75.3-179.7173.400108.1
533Q25.3Very low27.5Very low171 Ų171136.5 Ų136.580%0.79975%0.753SS**  trans-106.6112.7159.4-84.6-172.3-600109.9D531 V535D531-Q533 VanDerWaalsContact C-N 3.35Å; D531-Q533 PolarHBondContact O-N 2.76Å; Q533-V535 PolarHBondContact O-N 3.48Å; Q533-V535 VanDerWaalsContact O-N 3.11Å
534Y27.5Very low28.1Very low227 Ų227134 Ų13489%0.8974%0.744SS**  trans-45.5111.5167.3-89.3-101.2000110.5N536Y534-N536 PolarHBondContact O-N 3.18Å; Y534-N536 VanDerWaalsContact O-N 3.13Å
535V27Very low28.5Very low127 Ų127134.5 Ų134.577%0.7775%0.747SS**  trans-70.3106.3167.2178.80000107.5Q533 T537Q533-V535 PolarHBondContact O-N 3.48Å; Q533-V535 VanDerWaalsContact O-N 3.11Å; V535-T537 PolarHBondContact O-N 3.44Å; V535-T537 VanDerWaalsContact O-N 3.14Å
536N24.5Very low29.6Very low154 Ų154132.5 Ų132.582%0.82473%0.732SS**  trans-62.7108.3164.5-120.1-15.5000107.7Y534 S538Y534-N536 PolarHBondContact O-N 3.18Å; Y534-N536 VanDerWaalsContact O-N 3.13Å; N536-S538 PolarHBondContact O-N 2.88Å
537T26.4Very low30.8Very low131 Ų131131.4 Ų131.480%0.80473%0.73SS**  trans-73.480.8171.150.50000109V535V535-T537 PolarHBondContact O-N 3.44Å; V535-T537 VanDerWaalsContact O-N 3.14Å
538S27.6Very low32.6Very low102 Ų102134.8 Ų134.871%0.71374%0.739SS**  trans-72.2129.9158.956.50000108.7N536N536-S538 PolarHBondContact O-N 2.88Å
539S29.9Very low34.9Very low90 Ų90129.1 Ų129.163%0.62972%0.717SS**  trans3.6124.5166.660.10000117.5N541S539-N541 PolarHBondContact O-N 3.15Å
540C29.6Very low37.9Very low111 Ų111128.1 Ų128.175%0.7570%0.703SS**SBendtrans-61.859.9167.5-57.90000113.3
541N27Very low41.2Very low141 Ų141118.6 Ų118.675%0.75467%0.671SS**  trans-129.729.7-178.2-88.3-3.4000112.2S539 T543S539-N541 PolarHBondContact O-N 3.15Å; N541-T543 PolarHBondContact O-N 2.98Å
542S31.5Very low44.4Very low110 Ų110116.5 Ų116.577%0.76966%0.66SS**  trans-9682.4165.464.30000109.6S544S542-S544 PolarHBondContact O-N 2.78Å
543T33.6Very low47.7Very low139 Ų139113.1 Ų113.185%0.85365%0.647SS**  trans-66.781.1152.836.80000107.3N541 S545N541-T543 PolarHBondContact O-N 2.98Å; T543-S545 PolarHBondContact O-N 2.73Å
544S39.5Very low50.8Low51 Ų51105 Ų10536%0.35761%0.609SS.*  trans-55.1127.5164.3540000107.1S542 F546S542-S544 PolarHBondContact O-N 2.78Å; S544-F546 VanDerWaalsContact C-N 3.32Å; S544-F546 WeakPolarHBondContact O-CD2 3.48Å; S544-F546 PolarHBondContact O-N 2.89Å
545S38.5Very low54.1Low120 Ų12096.3 Ų96.384%0.83958%0.575SS**  trans-60.493.9179.5580000109.3T543 A547T543-S545 PolarHBondContact O-N 2.73Å; S545-A547 PolarHBondContact O-N 2.9Å
546F51.5Low57.4Low90 Ų9094.4 Ų94.440%0.39556%0.559SS.*  trans-56.1115.4165-75.1-87.8000106M339 T495 S544 E548M339-F546 HydrophobicContact CG-CE1 4.39Å; M339-F546 HydrophobicContact CG-CZ 4.21Å; M339-F546 HydrophobicContact SD-CD1 4.47Å; M339-F546 HydrophobicContact SD-CE1 3.52Å; M339-F546 VanDerWaalsContact SD-CE1 3.52Å; M339-F546 HydrophobicContact SD-CE2 4.22Å; M339-F546 HydrophobicContact SD-CZ 3.36Å; M339-F546 WeakPolarHBondContact SD-CZ 3.36Å; T495-F546 HydrophobicContact CG2-CD1 4.29Å; T495-F546 HydrophobicContact CG2-CE1 3.85Å; S544-F546 VanDerWaalsContact C-N 3.32Å; S544-F546 WeakPolarHBondContact O-CD2 3.48Å; S544-F546 PolarHBondContact O-N 2.89Å; F546-E548 PolarHBondContact O-N 3.42Å
547A52.6Low60.9Low82 Ų8291.2 Ų91.268%0.67854%0.541SS*.  trans-51.5118161.300000106S545 V549S545-A547 PolarHBondContact O-N 2.9Å; A547-V549 PolarHBondContact O-N 2.87Å
548E62.8Low64.3Low184 Ų18485.1 Ų85.186%0.8650%0.504SS*.  trans-67.385.4-174.8-93.5-173.6150.400109.2F546 N550F546-E548 PolarHBondContact O-N 3.42Å; E548-N550 PolarHBondContact O-N 3.26Å
549V76.7Confident67.7Low39 Ų3981.3 Ų81.324%0.23648%0.477CS..  trans-74127.1168.7-173.90000107.4K342 L492 A547 D553K342-V549 PolarHBondContact NZ-O 3.1Å; L492-V549 HydrophobicContact CD1-CG1 3.93Å; L492-V549 HydrophobicContact CD1-CG2 4.31Å; L492-V549 HydrophobicContact CD2-CG2 3.97Å; A547-V549 PolarHBondContact O-N 2.87Å; V549-D553 HydrophobicContact CG1-CB 4.25Å
550N89.7Confident70.9Confident81 Ų8177 Ų7743%0.43345%0.447SS..  trans-55.8129.2168.7-179.7-15.8000108.8E548 D552 D553 S554E548-N550 PolarHBondContact O-N 3.26Å; N550-D552 PolarHBondContact O-N 3.28Å; N550-D552 VanDerWaalsContact O-N 3.08Å; N550-D552 PolarHBondContact OD1-N 3.04Å; N550-D552 VanDerWaalsContact OD1-N 3.16Å; N550-D553 HydrophobicContact CB-CB 4.38Å; N550-D553 WeakPolarHBondContact CB-OD2 3.44Å; N550-D553 PolarHBondContact O-N 3.39Å; N550-S554 PolarHBondContact O-N 3.12Å
551P93Very high74.2Confident26 Ų2674.1 Ų74.117%0.16942%0.424CS..G310 helixtrans-46.1-38.6177.9-30.435000114.7K342 F343 P463 D553 S554K342-P551 HydrophobicContact CB-CG 4.28Å; K342-P551 HydrophobicContact CD-CG 4.36Å; K342-P551 HydrophobicContact CG-CG 4.21Å; K342-P551 WeakPolarHBondContact O-CG 3.26Å; F343-P551 HydrophobicContact CD1-CB 3.8Å; F343-P551 HydrophobicContact CD1-CG 4.26Å; F343-P551 HydrophobicContact CE1-CB 3.99Å; F343-P551 HydrophobicContact CE1-CG 4.36Å; P463-P551 HydrophobicContact CG-CB 3.99Å; P551-D553 VanDerWaalsContact C-N 3.32Å; P551-D553 PolarHBondContact O-N 2.81Å; P551-S554 WeakPolarHBondContact O-CB 3.26Å; P551-S554 PolarHBondContact O-N 3.12Å; P551-S554 PolarHBondContact O-OG 3.14Å
552D93.3Very high77.6Confident100 Ų10070.2 Ų70.254%0.53540%0.402SS..G310 helixtrans-70-27-179.3-72.3-31.4000113.8N550 S554 Y555N550-D552 PolarHBondContact O-N 3.28Å; N550-D552 VanDerWaalsContact O-N 3.08Å; N550-D552 PolarHBondContact OD1-N 3.04Å; N550-D552 VanDerWaalsContact OD1-N 3.16Å; D552-S554 VanDerWaalsContact C-N 3.31Å; D552-Y555 WeakPolarHBondContact O-CE1 3.31Å
553D93.4Very high80.7Confident100 Ų10065 Ų6554%0.53537%0.365SS..G310 helixtrans-89.60.9177.6-61-44.6000112.1Q489 V549 N550 P551Q489-D553 PolarHBondContact NE2-O 3.42Å; V549-D553 HydrophobicContact CG1-CB 4.25Å; N550-D553 HydrophobicContact CB-CB 4.38Å; N550-D553 WeakPolarHBondContact CB-OD2 3.44Å; N550-D553 PolarHBondContact O-N 3.39Å; P551-D553 VanDerWaalsContact C-N 3.32Å; P551-D553 PolarHBondContact O-N 2.81Å
554S92.4Very high83.8Confident0 Ų058.4 Ų58.40%032%0.324CS..SBendtrans-87-15.1-168.975.50000115.1K488 Q489 N550 P551 D552K488-S554 WeakPolarHBondContact CA-O 3.48Å; K488-S554 WeakPolarHBondContact CD-O 3.43Å; Q489-S554 PolarHBondContact N-O 2.87Å; N550-S554 PolarHBondContact O-N 3.12Å; P551-S554 WeakPolarHBondContact O-CB 3.26Å; P551-S554 PolarHBondContact O-N 3.12Å; P551-S554 PolarHBondContact O-OG 3.14Å; D552-S554 VanDerWaalsContact C-N 3.31Å
555Y95.7Very high86.6Confident45 Ų4556.3 Ų56.318%0.17631%0.309CS..EExtended strand (participates in β ladder)trans-128.3164.6-170.366-91.2000113.2P463 K466 Y486 F487 Q489 D552P463-Y555 VanDerWaalsContact CD-CD1 3.49Å; P463-Y555 HydrophobicContact CG-CD1 4.01Å; P463-Y555 HydrophobicContact CG-CE1 3.77Å; K466-Y555 HydrophobicContact CD-CE2 4.29Å; K466-Y555 WeakPolarHBondContact CE-OH 3.41Å; K466-Y555 HydrophobicContact CG-CE1 4.11Å; K466-Y555 HydrophobicContact CG-CE2 4.14Å; Y486-Y555 AromaticContact CD1-CD2 3.5Å; Y486-Y555 HydrophobicContact CD1-CD2 3.5Å; Y486-Y555 VanDerWaalsContact CD1-CD2 3.5Å; Y486-Y555 AromaticContact CD1-CE2 3.42Å; Y486-Y555 HydrophobicContact CD1-CE2 3.42Å; Y486-Y555 VanDerWaalsContact CD1-CE2 3.42Å; Y486-Y555 HydrophobicContact CE1-CD2 4.33Å; Y486-Y555 AromaticContact CE1-CE2 3.81Å; Y486-Y555 HydrophobicContact CE1-CE2 3.81Å; Y486-Y555 HydrophobicContact CG-CD2 4.18Å; Y486-Y555 HydrophobicContact CG-CE2 4.31Å; F487-Y555 CarbonylContact O-C 3.46Å; F487-Y555 WeakPolarHBondContact O-CA 3.36Å; F487-Y555 WeakPolarHBondContact O-CB 3.35Å; Q489-Y555 PolarHBondContact NE2-O 2.84Å; D552-Y555 WeakPolarHBondContact O-CE1 3.31Å
556M96.3Very high89.2Confident87 Ų8750.8 Ų50.843%0.42927%0.271SS..EExtended strand (participates in β ladder)trans-146.4166.8171.164.1-179.1-68.600110Y486 F487 Q489 M558Y486-M556 CarbonylContact C-O 3.51Å; Y486-M556 WeakPolarHBondContact CA-O 3.26Å; F487-M556 PolarHBondContact N-O 3.29Å; F487-M556 PolarHBondContact O-N 3.27Å; Q489-M556 HydrophobicContact CG-CB 4.12Å; Q489-M556 HydrophobicContact CG-CG 4.1Å; Q489-M556 HydrophobicContact CG-SD 4.37Å; M556-M558 HydrophobicContact CE-CG 4.33Å; M556-M558 HydrophobicContact CG-CG 3.81Å; M556-M558 HydrophobicContact CG-SD 4.08Å; M556-M558 HydrophobicContact SD-CG 4.29Å; M556-M558 HydrophobicContact SD-SD 4.29Å
557L97.9Very high91Very high86 Ų8648.7 Ų48.745%0.4527%0.266SS..EExtended strand (participates in β ladder)trans-80.8126.3172.6-75.6171.3000110.8K484 F485 Y486K484-L557 HydrophobicContact CB-CB 4.04Å; K484-L557 HydrophobicContact CB-CD2 4.17Å; K484-L557 HydrophobicContact CD-CB 4.21Å; F485-L557 CarbonylContact O-C 3.57Å; F485-L557 WeakPolarHBondContact O-CA 3.27Å; Y486-L557 HydrophobicContact CD1-CD2 3.71Å; Y486-L557 HydrophobicContact CD1-CG 4.15Å; Y486-L557 HydrophobicContact CD2-CD2 4.38Å; Y486-L557 HydrophobicContact CE1-CD2 3.82Å; Y486-L557 HydrophobicContact CE1-CG 4.15Å; Y486-L557 HydrophobicContact CE2-CD2 4.43Å; Y486-L557 HydrophobicContact CG-CD2 4.06Å
558M97.7Very high92.4Very high3 Ų350.8 Ų50.82%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-135140.1178.1-59.7-177.769.100110.3K484 F485 F487 M556 E562 I563 T567 F570K484-M558 CarbonylContact C-O 3.58Å; K484-M558 WeakPolarHBondContact CA-O 3.09Å; F485-M558 PolarHBondContact N-O 3.22Å; F485-M558 PolarHBondContact O-N 2.9Å; F487-M558 HydrophobicContact CB-CB 4.38Å; F487-M558 HydrophobicContact CB-CG 4.37Å; F487-M558 HydrophobicContact CB-SD 4.07Å; F487-M558 HydrophobicContact CD1-SD 3.99Å; F487-M558 HydrophobicContact CG-SD 4.48Å; M556-M558 HydrophobicContact CE-CG 4.33Å; M556-M558 HydrophobicContact CG-CG 3.81Å; M556-M558 HydrophobicContact CG-SD 4.08Å; M556-M558 HydrophobicContact SD-CG 4.29Å; M556-M558 HydrophobicContact SD-SD 4.29Å; M558-E562 HydrophobicContact CB-CB 4.2Å; M558-E562 HydrophobicContact CE-CB 3.75Å; M558-I563 HydrophobicContact CB-CD1 4.09Å; M558-I563 HydrophobicContact CB-CG1 3.66Å; M558-I563 HydrophobicContact CE-CG1 4.46Å; M558-I563 HydrophobicContact SD-CG1 4.37Å; M558-T567 HydrophobicContact CE-CG2 3.96Å; M558-F570 HydrophobicContact CE-CD1 3.78Å; M558-F570 HydrophobicContact CE-CE1 4.31Å
559S98.4Very high93.2Very high23 Ų2347 Ų4716%0.16127%0.265CS..EExtended strand (participates in β ladder)trans-66.2160166.4620000110.7N561 E562 I563S559-N561 PolarHBondContact O-N 3.2Å; S559-E562 WeakPolarHBondContact CB-OE2 3.24Å; S559-E562 PolarHBondContact N-OE2 3.22Å; S559-E562 PolarHBondContact O-N 2.73Å; S559-E562 VanDerWaalsContact O-N 3.11Å; S559-E562 WeakPolarHBondContact OG-CG 3.35Å; S559-E562 PolarHBondContact OG-N 3.02Å; S559-E562 PolarHBondContact OG-OE2 3.22Å; S559-I563 WeakPolarHBondContact O-CG1 3.2Å; S559-I563 PolarHBondContact O-N 2.86Å
560V98.7Very high93.6Very high0 Ų045.3 Ų45.30%025%0.254CS..Hα-helixtrans-59.3-36.9175.4179.70000111.3I275 A278 L279 V480 F485 E562 I563 I564 A605I275-V560 HydrophobicContact CG2-CG1 4.14Å; A278-V560 HydrophobicContact CB-CG2 4.26Å; L279-V560 HydrophobicContact CD1-CG1 4.15Å; L279-V560 HydrophobicContact CD2-CG1 3.54Å; L279-V560 HydrophobicContact CG-CG1 3.67Å; V480-V560 HydrophobicContact CG2-CB 4.13Å; V480-V560 HydrophobicContact CG2-CG1 4.03Å; V480-V560 HydrophobicContact CG2-CG2 4.33Å; F485-V560 HydrophobicContact CD2-CG2 3.81Å; F485-V560 HydrophobicContact CE2-CG2 3.55Å; F485-V560 HydrophobicContact CZ-CG2 4.44Å; V560-E562 PolarHBondContact O-N 2.67Å; V560-I563 PolarHBondContact O-N 2.8Å; V560-I564 HydrophobicContact CG1-CG1 3.92Å; V560-I564 WeakPolarHBondContact O-CB 3.49Å; V560-I564 WeakPolarHBondContact O-CG1 3.43Å; V560-I564 PolarHBondContact O-N 3.22Å; V560-A605 HydrophobicContact CG1-CB 4.12Å
561N98.6Very high93.6Very high50 Ų5042.5 Ų42.527%0.26724%0.241SC..Hα-helixtrans-58.1-46.7174.3-169.537.9000112.1S559 I563 I564 N565 G566 A605 S606S559-N561 PolarHBondContact O-N 3.2Å; N561-I563 VanDerWaalsContact C-N 3.31Å; N561-I563 PolarHBondContact O-N 2.8Å; N561-I564 PolarHBondContact O-N 3.1Å; N561-N565 WeakPolarHBondContact O-CA 3.45Å; N561-N565 WeakPolarHBondContact O-CB 3.23Å; N561-N565 PolarHBondContact O-N 2.99Å; N561-N565 PolarHBondContact OD1-ND2 2.81Å; N561-G566 PolarHBondContact O-N 2.82Å; N561-A605 WeakPolarHBondContact CA-O 3.32Å; N561-A605 VanDerWaalsContact CB-O 3.27Å; N561-A605 WeakPolarHBondContact CB-O 3.24Å; N561-A605 PolarHBondContact N-O 3.05Å; N561-S606 WeakPolarHBondContact OD1-CA 3.12Å
562E97.4Very high93.6Very high59 Ų5941.3 Ų41.328%0.27623%0.233SC..Hα-helixtrans-66.2-33.7179.4-69.4166.3127.700112.1M558 S559 V560 G566 T567M558-E562 HydrophobicContact CB-CB 4.2Å; M558-E562 HydrophobicContact CE-CB 3.75Å; S559-E562 WeakPolarHBondContact CB-OE2 3.24Å; S559-E562 PolarHBondContact N-OE2 3.22Å; S559-E562 PolarHBondContact O-N 2.73Å; S559-E562 VanDerWaalsContact O-N 3.11Å; S559-E562 WeakPolarHBondContact OG-CG 3.35Å; S559-E562 PolarHBondContact OG-N 3.02Å; S559-E562 PolarHBondContact OG-OE2 3.22Å; V560-E562 PolarHBondContact O-N 2.67Å; E562-G566 CarbonylContact O-C 3.49Å; E562-G566 WeakPolarHBondContact O-CA 3.32Å; E562-G566 PolarHBondContact O-N 2.81Å; E562-G566 VanDerWaalsContact O-N 3.14Å; E562-T567 HydrophobicContact CB-CG2 3.71Å; E562-T567 HydrophobicContact CG-CG2 3.83Å
563I97.8Very high93.8Very high0 Ų036.5 Ų36.50%021%0.207CC..Hα-helixtrans-71.5-48.1177.7-65.6168000111I275 F485 F487 M558 S559 V560 N561 F570 L573I275-I563 HydrophobicContact CD1-CD1 3.62Å; I275-I563 HydrophobicContact CG1-CD1 4.27Å; I275-I563 HydrophobicContact CG2-CG2 4.3Å; F485-I563 HydrophobicContact CB-CD1 4.18Å; F487-I563 HydrophobicContact CB-CD1 3.79Å; F487-I563 HydrophobicContact CB-CG1 3.99Å; F487-I563 HydrophobicContact CD1-CD1 4.47Å; F487-I563 HydrophobicContact CD1-CG1 3.94Å; F487-I563 HydrophobicContact CD1-CG2 4.18Å; F487-I563 HydrophobicContact CD2-CD1 3.87Å; F487-I563 HydrophobicContact CD2-CG1 4.17Å; F487-I563 HydrophobicContact CD2-CG2 4.08Å; F487-I563 HydrophobicContact CE1-CG2 3.91Å; F487-I563 HydrophobicContact CE2-CG2 3.81Å; F487-I563 HydrophobicContact CG-CD1 3.78Å; F487-I563 HydrophobicContact CG-CG1 3.75Å; F487-I563 HydrophobicContact CG-CG2 4.26Å; F487-I563 HydrophobicContact CZ-CG2 3.72Å; M558-I563 HydrophobicContact CB-CD1 4.09Å; M558-I563 HydrophobicContact CB-CG1 3.66Å; M558-I563 HydrophobicContact CE-CG1 4.46Å; M558-I563 HydrophobicContact SD-CG1 4.37Å; S559-I563 WeakPolarHBondContact O-CG1 3.2Å; S559-I563 PolarHBondContact O-N 2.86Å; V560-I563 PolarHBondContact O-N 2.8Å; N561-I563 VanDerWaalsContact C-N 3.31Å; N561-I563 PolarHBondContact O-N 2.8Å; I563-F570 WeakPolarHBondContact O-CE1 3.47Å; I563-L573 HydrophobicContact CG2-CD1 3.9Å; I563-L573 HydrophobicContact CG2-CG 4.41Å; I563-L573 PolarHBondContact O-N 3.22Å
564I98.1Very high93.9Very high0 Ų031.8 Ų31.80%018%0.182CC..Hα-helixtrans-80.3-50.7-173.6-61.1-59.6000111.1I275 L279 F445 V560 N561 G572 L573 L574 I601 A605I275-I564 HydrophobicContact CG2-CD1 4.31Å; L279-I564 HydrophobicContact CD1-CD1 3.8Å; L279-I564 HydrophobicContact CD1-CG1 3.94Å; L279-I564 HydrophobicContact CD2-CG1 4.49Å; F445-I564 HydrophobicContact CE2-CD1 4.45Å; F445-I564 HydrophobicContact CZ-CD1 3.84Å; V560-I564 HydrophobicContact CG1-CG1 3.92Å; V560-I564 WeakPolarHBondContact O-CB 3.49Å; V560-I564 WeakPolarHBondContact O-CG1 3.43Å; V560-I564 PolarHBondContact O-N 3.22Å; N561-I564 PolarHBondContact O-N 3.1Å; I564-G572 CarbonylContact O-C 3.6Å; I564-L573 PolarHBondContact O-N 2.72Å; I564-L574 HydrophobicContact CG2-CB 4.03Å; I564-L574 HydrophobicContact CG2-CD1 4.34Å; I564-L574 VanDerWaalsContact O-CB 3.27Å; I564-L574 WeakPolarHBondContact O-CB 3.24Å; I564-L574 PolarHBondContact O-N 2.96Å; I564-I601 HydrophobicContact CG2-CG2 4.13Å; I564-A605 HydrophobicContact CB-CB 3.68Å; I564-A605 HydrophobicContact CG1-CB 3.93Å; I564-A605 HydrophobicContact CG2-CB 3.85Å
565N97.3Very high94Very high8 Ų832.8 Ų32.84%0.04319%0.188CC..THydrogen-bonded Turntrans-95.3-20.6-171.7-60.8-31.1000112.6F511 N561 Q602F511-N565 HydrophobicContact CE1-CB 3.71Å; F511-N565 VanDerWaalsContact CE2-C 3.42Å; F511-N565 HydrophobicContact CE2-CB 3.98Å; F511-N565 WeakPolarHBondContact CE2-O 3.46Å; F511-N565 HydrophobicContact CZ-CB 3.33Å; N561-N565 WeakPolarHBondContact O-CA 3.45Å; N561-N565 WeakPolarHBondContact O-CB 3.23Å; N561-N565 PolarHBondContact O-N 2.99Å; N561-N565 PolarHBondContact OD1-ND2 2.81Å; N565-Q602 PolarHBondContact ND2-O 3.31Å; N565-Q602 WeakPolarHBondContact OD1-CG 3.32Å
566G93.4Very high93.9Very high4 Ų430.7 Ų30.74%0.04118%0.18CC..  trans102.2-175.4174.800000114.2N561 E562 F570 G572N561-G566 PolarHBondContact O-N 2.82Å; E562-G566 CarbonylContact O-C 3.49Å; E562-G566 WeakPolarHBondContact O-CA 3.32Å; E562-G566 PolarHBondContact O-N 2.81Å; E562-G566 VanDerWaalsContact O-N 3.14Å; G566-F570 CarbonylContact C-O 3.39Å; G566-F570 VanDerWaalsContact CA-O 3.26Å; G566-F570 WeakPolarHBondContact CA-O 3.23Å; G566-G572 VanDerWaalsContact CA-CA 3.42Å
567T89.4Confident93.9Very high45 Ų4526.5 Ų26.528%0.27616%0.16SC..  trans-134.6-172.9177.876.10000109.5M558 E562 T569 F570M558-T567 HydrophobicContact CE-CG2 3.96Å; E562-T567 HydrophobicContact CB-CG2 3.71Å; E562-T567 HydrophobicContact CG-CG2 3.83Å; T567-T569 PolarHBondContact O-N 3.1Å; T567-T569 PolarHBondContact OG1-N 3.35Å; T567-T569 VanDerWaalsContact OG1-N 3.08Å; T567-T569 PolarHBondContact OG1-OG1 3.36Å; T567-F570 PolarHBondContact N-O 2.99Å; T567-F570 VanDerWaalsContact O-O 3.08Å; T567-F570 PolarHBondContact OG1-N 3.47Å; T567-F570 VanDerWaalsContact OG1-N 3.1Å
568S82.6Confident93.7Very high126 Ų12622.6 Ų22.688%0.88114%0.139SC*.SBendtrans-65.7-21170.954.40000114
569T78.6Confident93.4Very high104 Ų10423.7 Ų23.764%0.63814%0.144SC*.SBendtrans-118.2-6-174.658.30000113.7T567T567-T569 PolarHBondContact O-N 3.1Å; T567-T569 PolarHBondContact OG1-N 3.35Å; T567-T569 VanDerWaalsContact OG1-N 3.08Å; T567-T569 PolarHBondContact OG1-OG1 3.36Å
570F86.5Confident93.1Very high4 Ų424.2 Ų24.22%0.01814%0.143CC..  trans-134124.3178.8171.2-126.3000108.5I493 M558 I563 G566 T567 G572 L573 L576I493-F570 HydrophobicContact CD1-CD2 3.99Å; I493-F570 HydrophobicContact CD1-CE1 4.43Å; I493-F570 HydrophobicContact CD1-CE2 3.37Å; I493-F570 HydrophobicContact CD1-CZ 3.61Å; M558-F570 HydrophobicContact CE-CD1 3.78Å; M558-F570 HydrophobicContact CE-CE1 4.31Å; I563-F570 WeakPolarHBondContact O-CE1 3.47Å; G566-F570 CarbonylContact C-O 3.39Å; G566-F570 VanDerWaalsContact CA-O 3.26Å; G566-F570 WeakPolarHBondContact CA-O 3.23Å; T567-F570 PolarHBondContact N-O 2.99Å; T567-F570 VanDerWaalsContact O-O 3.08Å; T567-F570 PolarHBondContact OG1-N 3.47Å; T567-F570 VanDerWaalsContact OG1-N 3.1Å; F570-G572 PolarHBondContact O-N 3.22Å; F570-G572 VanDerWaalsContact O-N 3.15Å; F570-L573 HydrophobicContact CZ-CD2 4.28Å; F570-L573 HydrophobicContact CZ-CG 4.39Å; F570-L576 HydrophobicContact CE2-CD1 4.46Å
571P88.8Confident92.8Very high23 Ų2324.3 Ų24.315%0.14914%0.143CC..  trans-62.1-22.3-177.922.4-34.4000114.4C506 P575 L576C506-P571 HydrophobicContact CB-CB 3.78Å; P571-P575 WeakPolarHBondContact O-CD 3.41Å; P571-P575 WeakPolarHBondContact O-CG 3.15Å; P571-L576 HydrophobicContact CG-CD1 4.47Å; P571-L576 HydrophobicContact CG-CD2 4.04Å; P571-L576 HydrophobicContact CG-CG 4.2Å
572G94.1Very high92.3Very high0 Ų025.7 Ų25.70%015%0.148CC..  trans90.9153.7-169.900000111.9I564 G566 F570 P575 L576I564-G572 CarbonylContact O-C 3.6Å; G566-G572 VanDerWaalsContact CA-CA 3.42Å; F570-G572 PolarHBondContact O-N 3.22Å; F570-G572 VanDerWaalsContact O-N 3.15Å; G572-P575 WeakPolarHBondContact O-CD 3.3Å; G572-L576 VanDerWaalsContact O-CG 3.3Å; G572-L576 WeakPolarHBondContact O-CG 3.45Å
573L96.1Very high91.8Very high0 Ų027.9 Ų27.90%016%0.158CC..Hα-helixtrans-68.5-35.7178-64.9178.5000112.5M272 L449 L460 F487 I563 I564 F570 L576 I577M272-L573 HydrophobicContact CE-CD1 3.47Å; M272-L573 VanDerWaalsContact CE-CD1 3.47Å; M272-L573 HydrophobicContact SD-CD1 3.58Å; M272-L573 VanDerWaalsContact SD-CD1 3.58Å; L449-L573 HydrophobicContact CD1-CD1 4.39Å; L449-L573 HydrophobicContact CD1-CD2 4.34Å; L460-L573 HydrophobicContact CD2-CD2 4.13Å; F487-L573 HydrophobicContact CZ-CD1 4Å; F487-L573 HydrophobicContact CZ-CD2 4.45Å; F487-L573 HydrophobicContact CZ-CG 4.44Å; I563-L573 HydrophobicContact CG2-CD1 3.9Å; I563-L573 HydrophobicContact CG2-CG 4.41Å; I563-L573 PolarHBondContact O-N 3.22Å; I564-L573 PolarHBondContact O-N 2.72Å; F570-L573 HydrophobicContact CZ-CD2 4.28Å; F570-L573 HydrophobicContact CZ-CG 4.39Å; L573-L576 WeakPolarHBondContact O-CB 3.46Å; L573-L576 PolarHBondContact O-N 3.35Å; L573-I577 VanDerWaalsContact O-CG1 3.29Å; L573-I577 WeakPolarHBondContact O-CG1 3.49Å; L573-I577 PolarHBondContact O-N 2.59Å
574L96.3Very high91.2Very high1 Ų131.1 Ų31.11%0.00518%0.178CC..Hα-helixtrans-68.8-44.2-176.4-154.784.8000112.1F445 I564 L576 I577 R578 L598 I601 Q602F445-L574 HydrophobicContact CD2-CD1 4.16Å; F445-L574 HydrophobicContact CE2-CD1 4.22Å; I564-L574 HydrophobicContact CG2-CB 4.03Å; I564-L574 HydrophobicContact CG2-CD1 4.34Å; I564-L574 VanDerWaalsContact O-CB 3.27Å; I564-L574 WeakPolarHBondContact O-CB 3.24Å; I564-L574 PolarHBondContact O-N 2.96Å; L574-L576 VanDerWaalsContact C-N 3.3Å; L574-L576 PolarHBondContact O-N 2.72Å; L574-I577 PolarHBondContact O-N 3.23Å; L574-R578 WeakPolarHBondContact O-CG 3.39Å; L574-R578 PolarHBondContact O-N 3.34Å; L574-L598 HydrophobicContact CD1-CB 3.99Å; L574-L598 HydrophobicContact CD1-CD2 3.75Å; L574-L598 HydrophobicContact CD1-CG 4.32Å; L574-L598 HydrophobicContact CD2-CB 4.33Å; L574-L598 HydrophobicContact CG-CB 4.31Å; L574-I601 HydrophobicContact CD1-CB 4.36Å; L574-I601 HydrophobicContact CD1-CG2 4.38Å; L574-Q602 HydrophobicContact CD2-CB 3.56Å; L574-Q602 HydrophobicContact CD2-CG 4.09Å
575P94.7Very high90.5Very high20 Ų2032.2 Ų32.213%0.1319%0.19CC..Hα-helixtrans-61.2-36.5173.2-30.743.4000113.5C506 P571 G572 R578 H579C506-P575 HydrophobicContact CB-CB 4.45Å; P571-P575 WeakPolarHBondContact O-CD 3.41Å; P571-P575 WeakPolarHBondContact O-CG 3.15Å; G572-P575 WeakPolarHBondContact O-CD 3.3Å; P575-R578 PolarHBondContact O-N 3.31Å; P575-H579 WeakPolarHBondContact O-CB 3.45Å; P575-H579 PolarHBondContact O-N 3.08Å
576L93.5Very high89.8Confident1 Ų133.5 Ų33.51%0.00520%0.204CC..Hα-helixtrans-62-43.5173.1-66173.1000111.9T452 L458 L502 F570 P571 G572 L573 L574 H579 Y580T452-L576 HydrophobicContact CG2-CB 4.04Å; L458-L576 HydrophobicContact CD1-CD1 4.16Å; L458-L576 HydrophobicContact CD2-CD1 4.37Å; L502-L576 HydrophobicContact CD2-CD2 3.17Å; F570-L576 HydrophobicContact CE2-CD1 4.46Å; P571-L576 HydrophobicContact CG-CD1 4.47Å; P571-L576 HydrophobicContact CG-CD2 4.04Å; P571-L576 HydrophobicContact CG-CG 4.2Å; G572-L576 VanDerWaalsContact O-CG 3.3Å; G572-L576 WeakPolarHBondContact O-CG 3.45Å; L573-L576 WeakPolarHBondContact O-CB 3.46Å; L573-L576 PolarHBondContact O-N 3.35Å; L574-L576 VanDerWaalsContact C-N 3.3Å; L574-L576 PolarHBondContact O-N 2.72Å; L576-H579 WeakPolarHBondContact O-CB 3.21Å; L576-H579 PolarHBondContact O-N 2.93Å; L576-Y580 PolarHBondContact O-N 2.92Å
577I95.2Very high89.5Confident0 Ų038.7 Ų38.70%023%0.228CC..Hα-helixtrans-62.8-44.6176.3-72.3164.5000111.1F445 L448 L449 T452 L573 L574 H579 Y580 V581 L598F445-I577 HydrophobicContact CD2-CD1 3.73Å; F445-I577 HydrophobicContact CE2-CD1 3.52Å; L448-I577 HydrophobicContact CB-CG2 3.67Å; L448-I577 HydrophobicContact CD1-CG2 3.94Å; L448-I577 HydrophobicContact CG-CG2 4.44Å; L449-I577 HydrophobicContact CB-CD1 3.97Å; L449-I577 HydrophobicContact CD1-CD1 4.23Å; T452-I577 HydrophobicContact CG2-CG1 4.3Å; L573-I577 VanDerWaalsContact O-CG1 3.29Å; L573-I577 WeakPolarHBondContact O-CG1 3.49Å; L573-I577 PolarHBondContact O-N 2.59Å; L574-I577 PolarHBondContact O-N 3.23Å; I577-H579 VanDerWaalsContact C-N 3.28Å; I577-H579 PolarHBondContact O-N 2.87Å; I577-Y580 WeakPolarHBondContact O-CB 3.46Å; I577-Y580 PolarHBondContact O-N 3.39Å; I577-V581 HydrophobicContact CG2-CG2 4.49Å; I577-V581 WeakPolarHBondContact O-CG2 3.27Å; I577-V581 PolarHBondContact O-N 3.09Å; I577-L598 HydrophobicContact CG2-CD1 3.83Å; I577-L598 HydrophobicContact CG2-CD2 4.15Å
578R94.9Very high89.4Confident3 Ų342 Ų421%0.01124%0.243CC..Hα-helixtrans-64-37.3178.4-68.6-173.9-163.1-97.711.2111.6Y515 L574 P575 V581 Q582 N595 L598 D599Y515-R578 VanDerWaalsContact CE2-CZ 3.41Å; Y515-R578 VanDerWaalsContact CZ-CD 3.44Å; Y515-R578 WeakPolarHBondContact OH-CD 3.39Å; L574-R578 WeakPolarHBondContact O-CG 3.39Å; L574-R578 PolarHBondContact O-N 3.34Å; P575-R578 PolarHBondContact O-N 3.31Å; R578-V581 PolarHBondContact O-N 3.38Å; R578-Q582 WeakPolarHBondContact O-CG 3.46Å; R578-Q582 PolarHBondContact O-N 2.96Å; R578-N595 PolarHBondContact NH1-O 3.07Å; R578-N595 PolarHBondContact NH1-OD1 3.16Å; R578-L598 HydrophobicContact CG-CD1 3.75Å; R578-D599 IonicContact CZ-OD1 3.08Å; R578-D599 IonicContact NH1-OD1 2.77Å; R578-D599 PolarHBondContact NH1-OD1 3.44Å; R578-D599 IonicContact NH2-OD1 3.22Å; R578-D599 PolarHBondContact NH2-OD1 3.5Å
579H91.4Very high89.7Confident27 Ų2741.7 Ų41.713%0.12523%0.227CC..Hα-helixtrans-61.4-46172.7-176.945.2000111.5F456 F509 P575 L576 I577 V581 Q582 E583F456-H579 AromaticContact CZ-CD2 3.66Å; F509-H579 HydrophobicContact CE2-CB 4.3Å; P575-H579 WeakPolarHBondContact O-CB 3.45Å; P575-H579 PolarHBondContact O-N 3.08Å; L576-H579 WeakPolarHBondContact O-CB 3.21Å; L576-H579 PolarHBondContact O-N 2.93Å; I577-H579 VanDerWaalsContact C-N 3.28Å; I577-H579 PolarHBondContact O-N 2.87Å; H579-V581 VanDerWaalsContact C-N 3.34Å; H579-V581 PolarHBondContact O-N 2.81Å; H579-Q582 PolarHBondContact O-N 3.2Å; H579-E583 IonicContact CE1-OE1 2.61Å; H579-E583 PolarHBondContact CE1-OE1 3.02Å; H579-E583 VanDerWaalsContact CE1-OE1 3.24Å; H579-E583 IonicContact NE2-OE1 3.41Å; H579-E583 PolarHBondContact NE2-OE1 3.25Å; H579-E583 WeakPolarHBondContact O-CG 3.1Å; H579-E583 PolarHBondContact O-N 3.07Å
580Y91.2Very high90.2Very high34 Ų3436.8 Ų36.813%0.13320%0.197CC..Hα-helixtrans-56.2-45.7174170.1-102.3000112.7L448 R451 K455 L576 I577 Q582 E583 T584L448-Y580 HydrophobicContact CD2-CD1 4.21Å; L448-Y580 HydrophobicContact CD2-CE1 4.03Å; R451-Y580 HydrophobicContact CB-CD1 4.4Å; R451-Y580 HydrophobicContact CB-CE1 3.61Å; R451-Y580 HydrophobicContact CB-CE2 4.22Å; R451-Y580 WeakPolarHBondContact CB-OH 3.39Å; R451-Y580 HydrophobicContact CG-CE1 4.38Å; K455-Y580 HydrophobicContact CB-CD2 3.82Å; K455-Y580 HydrophobicContact CB-CE2 3.84Å; K455-Y580 HydrophobicContact CG-CD2 3.79Å; K455-Y580 HydrophobicContact CG-CE2 3.97Å; L576-Y580 PolarHBondContact O-N 2.92Å; I577-Y580 WeakPolarHBondContact O-CB 3.46Å; I577-Y580 PolarHBondContact O-N 3.39Å; Y580-Q582 VanDerWaalsContact C-N 3.34Å; Y580-Q582 PolarHBondContact O-N 2.84Å; Y580-E583 PolarHBondContact O-N 2.96Å; Y580-T584 WeakPolarHBondContact CE2-OG1 3.33Å; Y580-T584 WeakPolarHBondContact O-CB 3.32Å; Y580-T584 PolarHBondContact O-N 3.28Å; Y580-T584 PolarHBondContact O-OG1 3.3Å
581V92.5Very high90.4Very high1 Ų137.6 Ų37.61%0.00620%0.202CC..Hα-helixtrans-61.5-43.6179170.30000111L112 L448 I577 R578 H579 T584 G585 I591 I594L112-V581 HydrophobicContact CD1-CG1 4.19Å; L448-V581 HydrophobicContact CD1-CG2 3.78Å; L448-V581 HydrophobicContact CD2-CG2 3.91Å; L448-V581 HydrophobicContact CG-CG2 4.45Å; I577-V581 HydrophobicContact CG2-CG2 4.49Å; I577-V581 WeakPolarHBondContact O-CG2 3.27Å; I577-V581 PolarHBondContact O-N 3.09Å; R578-V581 PolarHBondContact O-N 3.38Å; H579-V581 VanDerWaalsContact C-N 3.34Å; H579-V581 PolarHBondContact O-N 2.81Å; V581-T584 PolarHBondContact O-N 3.34Å; V581-G585 PolarHBondContact O-N 3.45Å; V581-G585 VanDerWaalsContact O-N 3.13Å; V581-I591 HydrophobicContact CG1-CG1 4.27Å; V581-I591 HydrophobicContact CG1-CG2 4.28Å; V581-I594 HydrophobicContact CG1-CD1 4.39Å; V581-I594 HydrophobicContact CG1-CG2 4.28Å; V581-I594 HydrophobicContact CG2-CG2 3.97Å
582Q88.5Confident90.5Very high80 Ų8039.2 Ų39.237%0.37421%0.209SC..Hα-helixtrans-67.4-42.3178.8-72.4176.65.200112.9F509 R578 H579 Y580 T584 G585F509-Q582 VanDerWaalsContact CE1-CD 3.46Å; R578-Q582 WeakPolarHBondContact O-CG 3.46Å; R578-Q582 PolarHBondContact O-N 2.96Å; H579-Q582 PolarHBondContact O-N 3.2Å; Y580-Q582 VanDerWaalsContact C-N 3.34Å; Y580-Q582 PolarHBondContact O-N 2.84Å; Q582-T584 VanDerWaalsContact C-N 3.33Å; Q582-G585 PolarHBondContact O-N 2.77Å
583E86.6Confident90.5Very high105 Ų10539.3 Ų39.349%0.49121%0.209SC..Hα-helixtrans-66-36.9176.6-72.5-163.2154.100112.5F456 H579 Y580 G585F456-E583 WeakPolarHBondContact CE1-OE2 3.43Å; H579-E583 IonicContact CE1-OE1 2.61Å; H579-E583 PolarHBondContact CE1-OE1 3.02Å; H579-E583 VanDerWaalsContact CE1-OE1 3.24Å; H579-E583 IonicContact NE2-OE1 3.41Å; H579-E583 PolarHBondContact NE2-OE1 3.25Å; H579-E583 WeakPolarHBondContact O-CG 3.1Å; H579-E583 PolarHBondContact O-N 3.07Å; Y580-E583 PolarHBondContact O-N 2.96Å; E583-G585 VanDerWaalsContact C-N 3.26Å; E583-G585 PolarHBondContact O-N 2.8Å
584T86.6Confident90.4Very high67 Ų6739.3 Ų39.341%0.41121%0.209SC..Hα-helixtrans-67.4-32.7178.2-580000111.1L112 Y580 V581 Q582L112-T584 HydrophobicContact CD1-CG2 4.05Å; L112-T584 HydrophobicContact CD2-CG2 4.47Å; L112-T584 HydrophobicContact CG-CG2 4.01Å; Y580-T584 WeakPolarHBondContact CE2-OG1 3.33Å; Y580-T584 WeakPolarHBondContact O-CB 3.32Å; Y580-T584 PolarHBondContact O-N 3.28Å; Y580-T584 PolarHBondContact O-OG1 3.3Å; V581-T584 PolarHBondContact O-N 3.34Å; Q582-T584 VanDerWaalsContact C-N 3.33Å
585G82.3Confident90.3Very high24 Ų2439.8 Ų39.825%0.24721%0.212CC..  trans67.1170.3-175.900000112.8L112 V581 Q582 E583L112-G585 WeakPolarHBondContact CD1-O 3.1Å; V581-G585 PolarHBondContact O-N 3.45Å; V581-G585 VanDerWaalsContact O-N 3.13Å; Q582-G585 PolarHBondContact O-N 2.77Å; E583-G585 VanDerWaalsContact C-N 3.26Å; E583-G585 PolarHBondContact O-N 2.8Å
586G83.3Confident90.3Very high34 Ų3439.2 Ų39.235%0.35121%0.208SC..  trans164.5179-176.700000110.6
587H87.5Confident90.4Very high114 Ų11439.1 Ų39.153%0.52821%0.208SC..  trans-62.5138.8172.9-67-60.6000110.5D113 E589 T590 I591D113-H587 IonicContact OD1-CD2 3.44Å; D113-H587 PolarHBondContact OD1-CD2 3.42Å; D113-H587 IonicContact OD2-CD2 2.66Å; D113-H587 PolarHBondContact OD2-CD2 3.12Å; D113-H587 IonicContact OD2-NE2 3.48Å; H587-E589 VanDerWaalsContact C-N 3.26Å; H587-E589 PolarHBondContact O-N 3.03Å; H587-T590 WeakPolarHBondContact O-CA 3.43Å; H587-T590 VanDerWaalsContact O-CB 3.25Å; H587-T590 WeakPolarHBondContact O-CB 3.07Å; H587-T590 PolarHBondContact O-N 2.81Å; H587-I591 PolarHBondContact O-N 3.34Å
588L87Confident90.5Very high113 Ų11339.1 Ų39.159%0.59221%0.208SC*.Hα-helixtrans-54.5-43.3-178.8-70.8170.5000111.9F528 T590 I591 D592F528-L588 HydrophobicContact CZ-CD2 4.43Å; L588-T590 VanDerWaalsContact C-N 3.25Å; L588-T590 PolarHBondContact O-N 3.26Å; L588-I591 PolarHBondContact O-N 3.28Å; L588-I591 VanDerWaalsContact O-N 3.1Å; L588-D592 WeakPolarHBondContact O-CB 3.3Å; L588-D592 VanDerWaalsContact O-CG 3.28Å; L588-D592 PolarHBondContact O-N 3.18Å
589E87.3Confident90.6Very high120 Ų12040 Ų4056%0.56121%0.213SC*.Hα-helixtrans-54.2-40.8175-63.1173178.500112.5H587 L593 K673H587-E589 VanDerWaalsContact C-N 3.26Å; H587-E589 PolarHBondContact O-N 3.03Å; E589-L593 WeakPolarHBondContact O-CB 3.49Å; E589-L593 PolarHBondContact O-N 2.71Å; E589-K673 IonicContact OE2-NZ 3.18Å; E589-K673 PolarHBondContact OE2-NZ 3.17Å
590T89.8Confident90.9Very high1 Ų138.8 Ų38.81%0.00621%0.207CC..Hα-helixtrans-68.3-44.6178.1-51.60000111.2L112 D113 N116 H587 L588 D592 L593 I594L112-T590 HydrophobicContact CB-CG2 4.1Å; L112-T590 WeakPolarHBondContact O-CG2 3.43Å; D113-T590 PolarHBondContact OD1-OG1 3.15Å; N116-T590 PolarHBondContact ND2-OG1 3.32Å; N116-T590 WeakPolarHBondContact OD1-CA 3.37Å; H587-T590 WeakPolarHBondContact O-CA 3.43Å; H587-T590 VanDerWaalsContact O-CB 3.25Å; H587-T590 WeakPolarHBondContact O-CB 3.07Å; H587-T590 PolarHBondContact O-N 2.81Å; L588-T590 VanDerWaalsContact C-N 3.25Å; L588-T590 PolarHBondContact O-N 3.26Å; T590-D592 VanDerWaalsContact C-N 3.35Å; T590-L593 PolarHBondContact O-N 2.89Å; T590-I594 HydrophobicContact CG2-CD1 4.04Å; T590-I594 VanDerWaalsContact O-CG1 3.29Å; T590-I594 WeakPolarHBondContact O-CG1 3.29Å; T590-I594 PolarHBondContact O-N 2.85Å
591I91.6Very high91.3Very high22 Ų2237.1 Ų37.111%0.11320%0.201CC..Hα-helixtrans-64.8-42.1179.6-66.2172.4000110.3V581 H587 L588 I594 N595V581-I591 HydrophobicContact CG1-CG1 4.27Å; V581-I591 HydrophobicContact CG1-CG2 4.28Å; H587-I591 PolarHBondContact O-N 3.34Å; L588-I591 PolarHBondContact O-N 3.28Å; L588-I591 VanDerWaalsContact O-N 3.1Å; I591-I594 PolarHBondContact O-N 3.45Å; I591-N595 WeakPolarHBondContact O-CB 3.49Å; I591-N595 PolarHBondContact O-N 3.4Å; I591-N595 PolarHBondContact O-ND2 3.1Å; I591-N595 VanDerWaalsContact O-ND2 3.11Å
592D91Very high91.5Very high56 Ų5638.9 Ų38.930%0.29921%0.209SC..Hα-helixtrans-63.4-43.4177.4-69.7-18.6000111.3L588 T590 N595 S596 V663L588-D592 WeakPolarHBondContact O-CB 3.3Å; L588-D592 VanDerWaalsContact O-CG 3.28Å; L588-D592 PolarHBondContact O-N 3.18Å; T590-D592 VanDerWaalsContact C-N 3.35Å; D592-N595 PolarHBondContact O-N 3.14Å; D592-S596 PolarHBondContact O-N 3.26Å; D592-V663 HydrophobicContact CB-CG2 4.29Å
593L92.7Very high92Very high2 Ų236.5 Ų36.51%0.0120%0.197CC..Hα-helixtrans-61.6-47.6174.6179.662.5000111.9N116 E589 T590 N595 S596 Y597 V663 V665N116-L593 HydrophobicContact CB-CD2 4.36Å; N116-L593 WeakPolarHBondContact OD1-CD2 3.42Å; E589-L593 WeakPolarHBondContact O-CB 3.49Å; E589-L593 PolarHBondContact O-N 2.71Å; T590-L593 PolarHBondContact O-N 2.89Å; L593-N595 VanDerWaalsContact C-N 3.27Å; L593-N595 PolarHBondContact O-N 3.3Å; L593-S596 WeakPolarHBondContact O-CB 3.37Å; L593-S596 PolarHBondContact O-N 3.27Å; L593-S596 VanDerWaalsContact O-N 3.12Å; L593-Y597 HydrophobicContact CD1-CE1 4.01Å; L593-Y597 HydrophobicContact CD1-CE2 3.99Å; L593-Y597 HydrophobicContact CD2-CE2 3.9Å; L593-Y597 HydrophobicContact CG-CD2 4.22Å; L593-Y597 HydrophobicContact CG-CE2 3.6Å; L593-Y597 PolarHBondContact O-N 2.66Å; L593-V663 HydrophobicContact CB-CG1 4.45Å; L593-V663 HydrophobicContact CD1-CB 4.27Å; L593-V663 HydrophobicContact CD1-CG1 4.36Å; L593-V665 HydrophobicContact CD1-CG2 3.42Å; L593-V665 VanDerWaalsContact CD1-CG2 3.42Å; L593-V665 HydrophobicContact CD2-CG1 4.48Å; L593-V665 HydrophobicContact CD2-CG2 3.5Å; L593-V665 HydrophobicContact CG-CG2 4.09Å
594I94.1Very high92.6Very high0 Ų031.6 Ų31.60%017%0.174CC..Hα-helixtrans-56.7-45.5176.2-72.8167.7000110L112 F115 T444 L448 V581 T590 I591 S596 Y597 L598L112-I594 HydrophobicContact CB-CD1 4.4Å; L112-I594 HydrophobicContact CD1-CD1 4.44Å; L112-I594 HydrophobicContact CD2-CD1 4.33Å; F115-I594 HydrophobicContact CB-CD1 4.25Å; F115-I594 HydrophobicContact CB-CG1 4.07Å; F115-I594 HydrophobicContact CD2-CD1 3.86Å; F115-I594 HydrophobicContact CD2-CG1 4.41Å; F115-I594 HydrophobicContact CG-CD1 4.25Å; F115-I594 HydrophobicContact CG-CG1 4.32Å; T444-I594 HydrophobicContact CG2-CG1 4.3Å; T444-I594 HydrophobicContact CG2-CG2 4.34Å; L448-I594 HydrophobicContact CD1-CG2 3.53Å; V581-I594 HydrophobicContact CG1-CD1 4.39Å; V581-I594 HydrophobicContact CG1-CG2 4.28Å; V581-I594 HydrophobicContact CG2-CG2 3.97Å; T590-I594 HydrophobicContact CG2-CD1 4.04Å; T590-I594 VanDerWaalsContact O-CG1 3.29Å; T590-I594 WeakPolarHBondContact O-CG1 3.29Å; T590-I594 PolarHBondContact O-N 2.85Å; I591-I594 PolarHBondContact O-N 3.45Å; I594-S596 VanDerWaalsContact C-N 3.31Å; I594-S596 PolarHBondContact O-N 3.45Å; I594-Y597 WeakPolarHBondContact O-CB 3.27Å; I594-Y597 PolarHBondContact O-N 3.04Å; I594-L598 HydrophobicContact CG2-CD1 3.9Å; I594-L598 HydrophobicContact CG2-CG 4.27Å; I594-L598 VanDerWaalsContact O-CG 3.3Å; I594-L598 WeakPolarHBondContact O-CG 3.11Å; I594-L598 PolarHBondContact O-N 3.46Å
595N94.3Very high93.1Very high12 Ų1228.5 Ų28.56%0.06416%0.156CC..Hα-helixtrans-62.7-38.8178.2-76.7-43.1000112.2Y515 R578 I591 D592 L593 Y597 L598 D599Y515-N595 HydrophobicContact CG-CB 4.49Å; R578-N595 PolarHBondContact NH1-O 3.07Å; R578-N595 PolarHBondContact NH1-OD1 3.16Å; I591-N595 WeakPolarHBondContact O-CB 3.49Å; I591-N595 PolarHBondContact O-N 3.4Å; I591-N595 PolarHBondContact O-ND2 3.1Å; I591-N595 VanDerWaalsContact O-ND2 3.11Å; D592-N595 PolarHBondContact O-N 3.14Å; L593-N595 VanDerWaalsContact C-N 3.27Å; L593-N595 PolarHBondContact O-N 3.3Å; N595-Y597 VanDerWaalsContact C-N 3.31Å; N595-Y597 PolarHBondContact O-N 3.23Å; N595-L598 PolarHBondContact O-N 2.9Å; N595-D599 VanDerWaalsContact O-CG 3.27Å; N595-D599 PolarHBondContact O-N 3.18Å
596S94.8Very high93.9Very high7 Ų729.9 Ų29.95%0.04916%0.162CC..Hα-helixtrans-61.4-38.3174.5-176.90000112.5D592 L593 I594 S662 V663D592-S596 PolarHBondContact O-N 3.26Å; L593-S596 WeakPolarHBondContact O-CB 3.37Å; L593-S596 PolarHBondContact O-N 3.27Å; L593-S596 VanDerWaalsContact O-N 3.12Å; I594-S596 VanDerWaalsContact C-N 3.31Å; I594-S596 PolarHBondContact O-N 3.45Å; S596-S662 WeakPolarHBondContact OG-CA 3.39Å; S596-V663 PolarHBondContact OG-N 2.92Å
597Y96.8Very high94.6Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-67-45173.3-69.2-34.2000112E119 F437 A440 A441 T444 L593 I594 N595 D599 L600E119-Y597 VanDerWaalsContact CB-OH 3.32Å; E119-Y597 WeakPolarHBondContact CB-OH 3.46Å; E119-Y597 PolarHBondContact OE2-OH 2.92Å; E119-Y597 VanDerWaalsContact OE2-OH 3.07Å; F437-Y597 AromaticContact CD2-CD1 3.79Å; F437-Y597 HydrophobicContact CD2-CD1 3.79Å; F437-Y597 AromaticContact CD2-CE1 3.58Å; F437-Y597 HydrophobicContact CD2-CE1 3.58Å; F437-Y597 AromaticContact CE2-CD1 3.52Å; F437-Y597 HydrophobicContact CE2-CD1 3.52Å; F437-Y597 AromaticContact CE2-CE1 3.77Å; F437-Y597 HydrophobicContact CE2-CE1 3.77Å; F437-Y597 HydrophobicContact CG-CE1 4.47Å; F437-Y597 HydrophobicContact CZ-CD1 4.21Å; A440-Y597 HydrophobicContact CB-CE1 4.03Å; A441-Y597 HydrophobicContact CB-CD1 3.76Å; A441-Y597 HydrophobicContact CB-CG 3.96Å; T444-Y597 HydrophobicContact CG2-CD2 4.02Å; T444-Y597 WeakPolarHBondContact OG1-CD2 3.37Å; L593-Y597 HydrophobicContact CD1-CE1 4.01Å; L593-Y597 HydrophobicContact CD1-CE2 3.99Å; L593-Y597 HydrophobicContact CD2-CE2 3.9Å; L593-Y597 HydrophobicContact CG-CD2 4.22Å; L593-Y597 HydrophobicContact CG-CE2 3.6Å; L593-Y597 PolarHBondContact O-N 2.66Å; I594-Y597 WeakPolarHBondContact O-CB 3.27Å; I594-Y597 PolarHBondContact O-N 3.04Å; N595-Y597 VanDerWaalsContact C-N 3.31Å; N595-Y597 PolarHBondContact O-N 3.23Å; Y597-D599 VanDerWaalsContact C-N 3.25Å; Y597-D599 PolarHBondContact O-N 3.24Å; Y597-L600 WeakPolarHBondContact O-CB 3.39Å; Y597-L600 PolarHBondContact O-N 2.84Å
598L96.7Very high95.1Very high0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-65.2-30.4179.5-64.7178000111.9F445 L574 I577 R578 I594 N595 L600 I601 Q602F445-L598 HydrophobicContact CB-CD2 4.43Å; F445-L598 HydrophobicContact CD2-CD2 4.27Å; L574-L598 HydrophobicContact CD1-CB 3.99Å; L574-L598 HydrophobicContact CD1-CD2 3.75Å; L574-L598 HydrophobicContact CD1-CG 4.32Å; L574-L598 HydrophobicContact CD2-CB 4.33Å; L574-L598 HydrophobicContact CG-CB 4.31Å; I577-L598 HydrophobicContact CG2-CD1 3.83Å; I577-L598 HydrophobicContact CG2-CD2 4.15Å; R578-L598 HydrophobicContact CG-CD1 3.75Å; I594-L598 HydrophobicContact CG2-CD1 3.9Å; I594-L598 HydrophobicContact CG2-CG 4.27Å; I594-L598 VanDerWaalsContact O-CG 3.3Å; I594-L598 WeakPolarHBondContact O-CG 3.11Å; I594-L598 PolarHBondContact O-N 3.46Å; N595-L598 PolarHBondContact O-N 2.9Å; L598-L600 VanDerWaalsContact C-N 3.32Å; L598-L600 PolarHBondContact O-N 2.76Å; L598-I601 PolarHBondContact O-N 2.89Å; L598-Q602 WeakPolarHBondContact O-CB 3.46Å; L598-Q602 PolarHBondContact O-N 2.94Å
599D96.9Very high95.6Very high22 Ų2225.1 Ų25.112%0.11814%0.137CC..Hα-helixtrans-62.6-35.7174.1-76.63.4000112.4R578 N595 Y597 I601 Q602 K603R578-D599 IonicContact CZ-OD1 3.08Å; R578-D599 IonicContact NH1-OD1 2.77Å; R578-D599 PolarHBondContact NH1-OD1 3.44Å; R578-D599 IonicContact NH2-OD1 3.22Å; R578-D599 PolarHBondContact NH2-OD1 3.5Å; N595-D599 VanDerWaalsContact O-CG 3.27Å; N595-D599 PolarHBondContact O-N 3.18Å; Y597-D599 VanDerWaalsContact C-N 3.25Å; Y597-D599 PolarHBondContact O-N 3.24Å; D599-I601 VanDerWaalsContact C-N 3.34Å; D599-I601 PolarHBondContact O-N 3.45Å; D599-Q602 PolarHBondContact O-N 3.44Å; D599-K603 WeakPolarHBondContact O-CB 3.4Å; D599-K603 WeakPolarHBondContact O-CG 3.29Å; D599-K603 PolarHBondContact O-N 3.45Å
600L97.9Very high96.2Very high0 Ų021.8 Ų21.80%012%0.122CC..Hα-helixtrans-59.5-47.7172.8177.772.3000110.6F437 E438 A441 Y597 L598 K603 R604 L609F437-L600 HydrophobicContact CE1-CB 4.22Å; F437-L600 HydrophobicContact CE1-CD1 4.42Å; F437-L600 HydrophobicContact CE1-CD2 4.08Å; F437-L600 HydrophobicContact CE1-CG 4.47Å; F437-L600 HydrophobicContact CZ-CB 4.48Å; E438-L600 HydrophobicContact CB-CD2 3.95Å; E438-L600 HydrophobicContact CG-CD2 3.78Å; A441-L600 HydrophobicContact CB-CD2 3.74Å; Y597-L600 WeakPolarHBondContact O-CB 3.39Å; Y597-L600 PolarHBondContact O-N 2.84Å; L598-L600 VanDerWaalsContact C-N 3.32Å; L598-L600 PolarHBondContact O-N 2.76Å; L600-K603 PolarHBondContact O-N 3.36Å; L600-R604 WeakPolarHBondContact O-CG 3.37Å; L600-R604 PolarHBondContact O-N 3.35Å; L600-L609 HydrophobicContact CD1-CD1 3.93Å
601I98.5Very high96.6Very high0 Ų021.8 Ų21.80%012%0.122CC..Hα-helixtrans-64.9-45-178.9-52.5-57.1000110.6L279 F442 F445 I564 L574 L598 D599 K603 R604 A605L279-I601 HydrophobicContact CD1-CG2 4.27Å; F442-I601 HydrophobicContact CD1-CD1 3.82Å; F442-I601 HydrophobicContact CD2-CD1 4.41Å; F442-I601 HydrophobicContact CE1-CD1 3.67Å; F442-I601 HydrophobicContact CE2-CD1 4.27Å; F442-I601 HydrophobicContact CG-CD1 4.19Å; F442-I601 HydrophobicContact CZ-CD1 3.9Å; F445-I601 HydrophobicContact CB-CG1 4.09Å; F445-I601 HydrophobicContact CD2-CG2 4.28Å; F445-I601 HydrophobicContact CE2-CG2 4.38Å; F445-I601 HydrophobicContact CG-CG1 4.27Å; F445-I601 HydrophobicContact CG-CG2 4.35Å; I564-I601 HydrophobicContact CG2-CG2 4.13Å; L574-I601 HydrophobicContact CD1-CB 4.36Å; L574-I601 HydrophobicContact CD1-CG2 4.38Å; L598-I601 PolarHBondContact O-N 2.89Å; D599-I601 VanDerWaalsContact C-N 3.34Å; D599-I601 PolarHBondContact O-N 3.45Å; I601-K603 VanDerWaalsContact C-N 3.35Å; I601-K603 PolarHBondContact O-N 3.2Å; I601-R604 PolarHBondContact O-N 3.4Å; I601-A605 WeakPolarHBondContact O-CB 3.3Å; I601-A605 PolarHBondContact O-N 3.34Å
602Q98.1Very high96.9Very high38 Ų3820.9 Ų20.918%0.17812%0.118CC..Hα-helixtrans-53.6-51.5175.6-175.8169.8-49.500111.7N565 L574 L598 D599 A605 S606N565-Q602 PolarHBondContact ND2-O 3.31Å; N565-Q602 WeakPolarHBondContact OD1-CG 3.32Å; L574-Q602 HydrophobicContact CD2-CB 3.56Å; L574-Q602 HydrophobicContact CD2-CG 4.09Å; L598-Q602 WeakPolarHBondContact O-CB 3.46Å; L598-Q602 PolarHBondContact O-N 2.94Å; D599-Q602 PolarHBondContact O-N 3.44Å; Q602-A605 PolarHBondContact O-N 3.05Å; Q602-S606 PolarHBondContact O-N 3.47Å; Q602-S606 PolarHBondContact O-OG 3.19Å
603K98.2Very high97.3Very high30 Ų3018.2 Ų18.213%0.1310%0.103CC..Hα-helixtrans-71.1-36.5-174-70.8-178.8177.8-144.20112.1D599 L600 I601 S606 G607 E608 L609D599-K603 WeakPolarHBondContact O-CB 3.4Å; D599-K603 WeakPolarHBondContact O-CG 3.29Å; D599-K603 PolarHBondContact O-N 3.45Å; L600-K603 PolarHBondContact O-N 3.36Å; I601-K603 VanDerWaalsContact C-N 3.35Å; I601-K603 PolarHBondContact O-N 3.2Å; K603-S606 PolarHBondContact O-N 3.43Å; K603-S606 PolarHBondContact O-OG 3.28Å; K603-G607 PolarHBondContact O-N 3.45Å; K603-G607 VanDerWaalsContact O-N 3.08Å; K603-E608 HydrophobicContact CB-CB 4.12Å; K603-E608 WeakPolarHBondContact CD-OE1 3.5Å; K603-E608 WeakPolarHBondContact CE-OE1 3.46Å; K603-E608 HydrophobicContact CG-CB 4.36Å; K603-E608 HydrophobicContact CG-CG 4.48Å; K603-E608 IonicContact NZ-OE1 2.88Å; K603-E608 PolarHBondContact NZ-OE1 2.78Å; K603-E608 PolarHBondContact O-N 3.04Å; K603-L609 HydrophobicContact CB-CB 4.03Å; K603-L609 HydrophobicContact CB-CD1 3.76Å; K603-L609 HydrophobicContact CB-CG 3.72Å; K603-L609 HydrophobicContact CD-CD1 3.98Å; K603-L609 HydrophobicContact CD-CG 4.2Å; K603-L609 PolarHBondContact O-N 3.44Å; K603-L609 VanDerWaalsContact O-N 3.15Å
604R98.5Very high97.6Very high1 Ų120.7 Ų20.70%0.00411%0.114CC..Hα-helixtrans-64.3-44.2171-75.3-176.6175-173.51.8112.5L279 E438 L600 I601 S606 G607 L609L279-R604 HydrophobicContact CD2-CB 4.39Å; E438-R604 IonicContact OE1-CZ 2.63Å; E438-R604 IonicContact OE1-NH2 2.81Å; E438-R604 PolarHBondContact OE1-NH2 2.79Å; L600-R604 WeakPolarHBondContact O-CG 3.37Å; L600-R604 PolarHBondContact O-N 3.35Å; I601-R604 PolarHBondContact O-N 3.4Å; R604-S606 VanDerWaalsContact C-N 3.27Å; R604-S606 PolarHBondContact O-N 3.23Å; R604-G607 PolarHBondContact O-N 3Å; R604-L609 HydrophobicContact CG-CB 4.13Å
605A98.7Very high97.8Very high2 Ų220.8 Ų20.82%0.01711%0.114CC..Hα-helixtrans-60.7-37.9177.600000112.1L279 V560 N561 I564 I601 Q602L279-A605 HydrophobicContact CD2-CB 3.84Å; V560-A605 HydrophobicContact CG1-CB 4.12Å; N561-A605 WeakPolarHBondContact CA-O 3.32Å; N561-A605 VanDerWaalsContact CB-O 3.27Å; N561-A605 WeakPolarHBondContact CB-O 3.24Å; N561-A605 PolarHBondContact N-O 3.05Å; I564-A605 HydrophobicContact CB-CB 3.68Å; I564-A605 HydrophobicContact CG1-CB 3.93Å; I564-A605 HydrophobicContact CG2-CB 3.85Å; I601-A605 WeakPolarHBondContact O-CB 3.3Å; I601-A605 PolarHBondContact O-N 3.34Å; Q602-A605 PolarHBondContact O-N 3.05Å
606S98.3Very high98Very high54 Ų5420.4 Ų20.438%0.37811%0.112SC..Hα-helixtrans-79.7-15.5178.671.10000114.9N561 Q602 K603 R604 E608N561-S606 WeakPolarHBondContact OD1-CA 3.12Å; Q602-S606 PolarHBondContact O-N 3.47Å; Q602-S606 PolarHBondContact O-OG 3.19Å; K603-S606 PolarHBondContact O-N 3.43Å; K603-S606 PolarHBondContact O-OG 3.28Å; R604-S606 VanDerWaalsContact C-N 3.27Å; R604-S606 PolarHBondContact O-N 3.23Å; S606-E608 VanDerWaalsContact C-N 3.34Å; S606-E608 PolarHBondContact OG-N 2.98Å
607G98Very high98.2Very high35 Ų3520.6 Ų20.636%0.36111%0.112SC..THydrogen-bonded Turntrans80.65.4-171.800000115.7L481 K603 R604 L609L481-G607 VanDerWaalsContact CD2-CA 3.41Å; K603-G607 PolarHBondContact O-N 3.45Å; K603-G607 VanDerWaalsContact O-N 3.08Å; R604-G607 PolarHBondContact O-N 3Å; G607-L609 VanDerWaalsContact C-N 3.29Å
608E97.9Very high98.3Very high119 Ų11921.8 Ų21.856%0.55612%0.12SC*.SBendtrans-62.2-38.8169.8-174.5-172144.100111.2K603 S606K603-E608 HydrophobicContact CB-CB 4.12Å; K603-E608 WeakPolarHBondContact CD-OE1 3.5Å; K603-E608 WeakPolarHBondContact CE-OE1 3.46Å; K603-E608 HydrophobicContact CG-CB 4.36Å; K603-E608 HydrophobicContact CG-CG 4.48Å; K603-E608 IonicContact NZ-OE1 2.88Å; K603-E608 PolarHBondContact NZ-OE1 2.78Å; K603-E608 PolarHBondContact O-N 3.04Å; S606-E608 VanDerWaalsContact C-N 3.34Å; S606-E608 PolarHBondContact OG-N 2.98Å
609L98.4Very high98.4Very high6 Ų625.7 Ų25.73%0.03114%0.135CC..SBendtrans-110.6141.8171.1-70.2179.6000110.8L600 K603 R604 G607 P655 P659L600-L609 HydrophobicContact CD1-CD1 3.93Å; K603-L609 HydrophobicContact CB-CB 4.03Å; K603-L609 HydrophobicContact CB-CD1 3.76Å; K603-L609 HydrophobicContact CB-CG 3.72Å; K603-L609 HydrophobicContact CD-CD1 3.98Å; K603-L609 HydrophobicContact CD-CG 4.2Å; K603-L609 PolarHBondContact O-N 3.44Å; K603-L609 VanDerWaalsContact O-N 3.15Å; R604-L609 HydrophobicContact CG-CB 4.13Å; G607-L609 VanDerWaalsContact C-N 3.29Å; L609-P655 WeakPolarHBondContact CD2-O 3.39Å; L609-P659 HydrophobicContact CD1-CB 4.36Å
610M98.6Very high98.4Very high50 Ų5024.7 Ų24.725%0.24613%0.13CC..  trans-72.1151.5173.7-60.8-168.9-179.100110.9K614 W615 E656M610-K614 HydrophobicContact CB-CB 4.27Å; M610-K614 HydrophobicContact CB-CD 4.3Å; M610-K614 HydrophobicContact CB-CG 4.39Å; M610-K614 HydrophobicContact CG-CD 4.04Å; M610-K614 HydrophobicContact CG-CG 4.29Å; M610-K614 HydrophobicContact SD-CD 4.35Å; M610-K614 HydrophobicContact SD-CG 4.1Å; M610-W615 HydrophobicContact CB-CB 4.2Å; M610-W615 HydrophobicContact SD-CB 4.39Å; M610-E656 WeakPolarHBondContact CB-O 3.37Å; M610-E656 HydrophobicContact CE-CB 4.25Å; M610-E656 HydrophobicContact CE-CG 4.49Å; M610-E656 HydrophobicContact CG-CB 4.38Å; M610-E656 WeakPolarHBondContact CG-O 3.34Å; M610-E656 PolarHBondContact N-O 3.15Å; M610-E656 HydrophobicContact SD-CB 4.34Å; M610-E656 HydrophobicContact SD-CG 4.19Å
611T98.8Very high98.4Very high2 Ų227.7 Ų27.71%0.01215%0.145CC..  trans-71.8159.3159600000109.9A281 V480 A613 K614 W615A281-T611 HydrophobicContact CB-CG2 4.12Å; A281-T611 WeakPolarHBondContact O-CB 3.46Å; V480-T611 HydrophobicContact CG1-CG2 3.8Å; T611-A613 PolarHBondContact O-N 3.11Å; T611-K614 PolarHBondContact O-N 3.23Å; T611-K614 WeakPolarHBondContact OG1-CB 3.45Å; T611-K614 PolarHBondContact OG1-N 2.77Å; T611-W615 WeakPolarHBondContact O-CB 3.5Å; T611-W615 PolarHBondContact O-N 2.71Å
612T98.8Very high98.4Very high3 Ų334.9 Ų34.92%0.01818%0.176CC..Hα-helixtrans-57.7-38.1176.4-56.40000111.3A281 A282 Q433 L434 W615 M616A281-T612 PolarHBondContact O-N 3.48Å; A282-T612 HydrophobicContact CB-CG2 4.03Å; Q433-T612 PolarHBondContact OE1-OG1 3.42Å; L434-T612 HydrophobicContact CD1-CG2 4.25Å; L434-T612 HydrophobicContact CD2-CG2 4.29Å; L434-T612 HydrophobicContact CG-CG2 3.93Å; T612-W615 PolarHBondContact O-N 3.16Å; T612-M616 VanDerWaalsContact O-CB 3.29Å; T612-M616 WeakPolarHBondContact O-CB 3.4Å; T612-M616 PolarHBondContact O-N 3.3Å
613A98.9Very high98.5Very high0 Ų034.6 Ų34.60%017%0.174CC..Hα-helixtrans-61.9-49.8175.900000112.2A281 P284 D294 T611 W615 M616 R617A281-A613 HydrophobicContact CB-CB 4.15Å; A281-A613 WeakPolarHBondContact O-CB 3.43Å; A281-A613 PolarHBondContact O-N 3.03Å; P284-A613 HydrophobicContact CB-CB 4.06Å; P284-A613 WeakPolarHBondContact CB-O 3.43Å; P284-A613 HydrophobicContact CG-CB 4.29Å; D294-A613 HydrophobicContact CB-CB 3.84Å; T611-A613 PolarHBondContact O-N 3.11Å; A613-W615 PolarHBondContact O-N 2.73Å; A613-M616 PolarHBondContact O-N 2.89Å; A613-R617 VanDerWaalsContact O-CB 3.23Å; A613-R617 WeakPolarHBondContact O-CB 3.23Å; A613-R617 PolarHBondContact O-N 3.45Å
614K98.7Very high98.4Very high54 Ų5439.4 Ų39.424%0.23521%0.206CC..Hα-helixtrans-63.4-42.9178.8-176.2178.3-167.267.60111.8D478 L481 M610 T611 S618D478-K614 WeakPolarHBondContact OD1-CD 3.44Å; D478-K614 IonicContact OD1-NZ 3.12Å; D478-K614 PolarHBondContact OD1-NZ 3.23Å; D478-K614 IonicContact OD2-NZ 3.17Å; D478-K614 PolarHBondContact OD2-NZ 2.76Å; L481-K614 HydrophobicContact CD1-CD 3.83Å; M610-K614 HydrophobicContact CB-CB 4.27Å; M610-K614 HydrophobicContact CB-CD 4.3Å; M610-K614 HydrophobicContact CB-CG 4.39Å; M610-K614 HydrophobicContact CG-CD 4.04Å; M610-K614 HydrophobicContact CG-CG 4.29Å; M610-K614 HydrophobicContact SD-CD 4.35Å; M610-K614 HydrophobicContact SD-CG 4.1Å; T611-K614 PolarHBondContact O-N 3.23Å; T611-K614 WeakPolarHBondContact OG1-CB 3.45Å; T611-K614 PolarHBondContact OG1-N 2.77Å; K614-S618 WeakPolarHBondContact O-CB 3.44Å; K614-S618 PolarHBondContact O-N 2.88Å
615W98.7Very high98.4Very high1 Ų142.9 Ų42.90%0.00423%0.225CC..Hα-helixtrans-59.8-56.5176.817480.9000110.7L434 M610 T611 T612 A613 R617 S618 R619 E643 I647 P654 L657L434-W615 HydrophobicContact CD1-CE3 4.32Å; L434-W615 HydrophobicContact CD1-CZ3 3.95Å; M610-W615 HydrophobicContact CB-CB 4.2Å; M610-W615 HydrophobicContact SD-CB 4.39Å; T611-W615 WeakPolarHBondContact O-CB 3.5Å; T611-W615 PolarHBondContact O-N 2.71Å; T612-W615 PolarHBondContact O-N 3.16Å; A613-W615 PolarHBondContact O-N 2.73Å; W615-R617 VanDerWaalsContact C-N 3.31Å; W615-R617 PolarHBondContact O-N 2.79Å; W615-S618 WeakPolarHBondContact O-CA 3.41Å; W615-S618 WeakPolarHBondContact O-CB 3.42Å; W615-S618 PolarHBondContact O-N 3.24Å; W615-R619 HydrophobicContact CD2-CG 4.01Å; W615-R619 HydrophobicContact CE3-CG 4.46Å; W615-R619 HydrophobicContact CH2-CG 4.11Å; W615-R619 HydrophobicContact CZ2-CG 3.63Å; W615-R619 WeakPolarHBondContact O-CG 3.26Å; W615-R619 PolarHBondContact O-N 3.09Å; W615-E643 HydrophobicContact CH2-CB 4.37Å; W615-E643 HydrophobicContact CH2-CG 4.01Å; W615-E643 HydrophobicContact CZ2-CG 4Å; W615-I647 HydrophobicContact CH2-CD1 3.32Å; W615-I647 HydrophobicContact CZ2-CD1 3.33Å; W615-I647 HydrophobicContact CZ3-CD1 4.02Å; W615-P654 HydrophobicContact CZ2-CG 4.34Å; W615-L657 HydrophobicContact CB-CD1 4Å; W615-L657 HydrophobicContact CD2-CD2 3.96Å; W615-L657 HydrophobicContact CE3-CD2 4.26Å; W615-L657 HydrophobicContact CG-CB 4.24Å; W615-L657 HydrophobicContact CG-CD1 4.27Å; W615-L657 HydrophobicContact CG-CD2 4.11Å; W615-L657 HydrophobicContact CG-CG 4.44Å
616M98.6Very high98.4Very high5 Ų543.6 Ų43.63%0.02523%0.227CC..Hα-helixtrans-59.9-41.5-178.3179.6-176.4-64.200111.7P146 P284 T612 A613 S618 R619 I620 I640P146-M616 HydrophobicContact CG-SD 4.14Å; P284-M616 HydrophobicContact CG-CB 3.99Å; P284-M616 HydrophobicContact CG-CG 4.02Å; P284-M616 HydrophobicContact CG-SD 3.73Å; T612-M616 VanDerWaalsContact O-CB 3.29Å; T612-M616 WeakPolarHBondContact O-CB 3.4Å; T612-M616 PolarHBondContact O-N 3.3Å; A613-M616 PolarHBondContact O-N 2.89Å; M616-S618 PolarHBondContact O-N 3.02Å; M616-R619 PolarHBondContact O-N 3.28Å; M616-I620 HydrophobicContact CG-CD1 3.98Å; M616-I620 WeakPolarHBondContact O-CG1 3.47Å; M616-I620 PolarHBondContact O-N 2.82Å; M616-I640 HydrophobicContact CE-CG2 4.31Å; M616-I640 HydrophobicContact CG-CG2 3.83Å; M616-I640 HydrophobicContact SD-CG2 4.26Å
617R98.6Very high98.4Very high10 Ų1048 Ų484%0.03824%0.24CC..Hα-helixtrans-58.5-46.9172.4-174-176.4-51.6-72.61.7111.8P284 L290 L291 W293 D294 A613 W615 R619 I620 M621P284-R617 VanDerWaalsContact CA-NH2 3.35Å; P284-R617 HydrophobicContact CB-CB 4.19Å; P284-R617 VanDerWaalsContact CB-NH2 3.3Å; P284-R617 PolarHBondContact O-NH1 3.41Å; L290-R617 HydrophobicContact CD1-CG 4.42Å; L290-R617 HydrophobicContact CD2-CG 4.16Å; L291-R617 PolarHBondContact O-NH1 2.9Å; L291-R617 PolarHBondContact O-NH2 3.17Å; W293-R617 PolarHBondContact O-NH2 2.79Å; D294-R617 IonicContact OD1-CZ 3.59Å; D294-R617 IonicContact OD1-NE 3.47Å; D294-R617 IonicContact OD1-NH2 3.47Å; D294-R617 PolarHBondContact OD1-NH2 3.42Å; A613-R617 VanDerWaalsContact O-CB 3.23Å; A613-R617 WeakPolarHBondContact O-CB 3.23Å; A613-R617 PolarHBondContact O-N 3.45Å; W615-R617 VanDerWaalsContact C-N 3.31Å; W615-R617 PolarHBondContact O-N 2.79Å; R617-R619 VanDerWaalsContact C-N 3.27Å; R617-R619 PolarHBondContact O-N 3.25Å; R617-I620 PolarHBondContact O-N 2.88Å; R617-M621 HydrophobicContact CG-CG 4.47Å; R617-M621 HydrophobicContact CG-SD 3.94Å; R617-M621 WeakPolarHBondContact O-CB 3.35Å; R617-M621 VanDerWaalsContact O-CG 3.27Å; R617-M621 WeakPolarHBondContact O-CG 3.45Å; R617-M621 PolarHBondContact O-N 2.61Å
618S98.3Very high98.4Very high25 Ų2549.3 Ų49.318%0.17524%0.238CC..Hα-helixtrans-61.6-35.7176.3178.50000112.4K614 W615 M616 K622K614-S618 WeakPolarHBondContact O-CB 3.44Å; K614-S618 PolarHBondContact O-N 2.88Å; W615-S618 WeakPolarHBondContact O-CA 3.41Å; W615-S618 WeakPolarHBondContact O-CB 3.42Å; W615-S618 PolarHBondContact O-N 3.24Å; M616-S618 PolarHBondContact O-N 3.02Å; S618-K622 WeakPolarHBondContact O-CB 3.49Å; S618-K622 WeakPolarHBondContact O-CD 3.44Å; S618-K622 VanDerWaalsContact O-CG 3.27Å; S618-K622 WeakPolarHBondContact O-CG 3.42Å; S618-K622 PolarHBondContact O-N 2.84Å; S618-K622 WeakPolarHBondContact OG-CE 3.34Å; S618-K622 PolarHBondContact OG-NZ 3.08Å; S618-K622 VanDerWaalsContact OG-NZ 3.1Å
619R98.2Very high98.4Very high83 Ų8345.5 Ų45.531%0.31322%0.222SC..Hα-helixtrans-68.7-46177.8-62.2-53.8-63.4171.30.6111.1W615 M616 R617 M621 K622 H623 I640 E643W615-R619 HydrophobicContact CD2-CG 4.01Å; W615-R619 HydrophobicContact CE3-CG 4.46Å; W615-R619 HydrophobicContact CH2-CG 4.11Å; W615-R619 HydrophobicContact CZ2-CG 3.63Å; W615-R619 WeakPolarHBondContact O-CG 3.26Å; W615-R619 PolarHBondContact O-N 3.09Å; M616-R619 PolarHBondContact O-N 3.28Å; R617-R619 VanDerWaalsContact C-N 3.27Å; R617-R619 PolarHBondContact O-N 3.25Å; R619-M621 PolarHBondContact O-N 3Å; R619-K622 PolarHBondContact O-N 3.47Å; R619-H623 PolarHBondContact O-N 3.1Å; R619-H623 VanDerWaalsContact O-N 3.17Å; R619-I640 HydrophobicContact CB-CD1 3.34Å; R619-I640 HydrophobicContact CG-CD1 4.42Å; R619-E643 IonicContact CZ-OE1 2.76Å; R619-E643 VanDerWaalsContact CZ-OE1 3.28Å; R619-E643 IonicContact CZ-OE2 3.02Å; R619-E643 IonicContact NE-OE1 3.19Å; R619-E643 PolarHBondContact NE-OE1 3.19Å; R619-E643 VanDerWaalsContact NE-OE1 3.12Å; R619-E643 IonicContact NE-OE2 3.28Å; R619-E643 PolarHBondContact NE-OE2 2.84Å; R619-E643 IonicContact NH2-OE1 2.61Å; R619-E643 PolarHBondContact NH2-OE1 3.46Å; R619-E643 IonicContact NH2-OE2 3.69Å; R619-E643 PolarHBondContact NH2-OE2 2.91Å
620I98.6Very high98.4Very high0 Ų045.2 Ų45.20%022%0.221CC..Hα-helixtrans-57.9-49.5175.3-69.4162.8000110.6L290 M616 R617 K622 H623 Y626 I632 I636 I640L290-I620 HydrophobicContact CD1-CG2 4Å; L290-I620 HydrophobicContact CD2-CB 4.38Å; L290-I620 HydrophobicContact CD2-CD1 3.75Å; L290-I620 HydrophobicContact CD2-CG2 4.1Å; L290-I620 HydrophobicContact CG-CG2 4.15Å; M616-I620 HydrophobicContact CG-CD1 3.98Å; M616-I620 WeakPolarHBondContact O-CG1 3.47Å; M616-I620 PolarHBondContact O-N 2.82Å; R617-I620 PolarHBondContact O-N 2.88Å; I620-K622 PolarHBondContact O-N 2.91Å; I620-H623 WeakPolarHBondContact O-CB 3.28Å; I620-H623 PolarHBondContact O-N 2.88Å; I620-Y626 HydrophobicContact CG2-CD2 4.11Å; I620-Y626 HydrophobicContact CG2-CE2 4.26Å; I620-Y626 VanDerWaalsContact O-CB 3.3Å; I620-Y626 WeakPolarHBondContact O-CB 3.24Å; I620-I632 HydrophobicContact CD1-CD1 3.87Å; I620-I632 HydrophobicContact CD1-CG1 4.4Å; I620-I632 HydrophobicContact CG2-CG1 4.12Å; I620-I636 HydrophobicContact CB-CG2 4.44Å; I620-I636 HydrophobicContact CG1-CG2 4.08Å; I620-I636 HydrophobicContact CG2-CG2 4.18Å; I620-I640 HydrophobicContact CG1-CD1 4.01Å; I620-I640 HydrophobicContact CG1-CG1 3.87Å
621M98.2Very high98.3Very high64 Ų6447 Ų4732%0.31523%0.225SC..Hα-helixtrans-65.9-22.5-177.1-69.2176.774.900114.1Y206 L290 R617 R619 Y626Y206-M621 HydrophobicContact CE1-CE 3.98Å; Y206-M621 HydrophobicContact CE1-SD 4.18Å; Y206-M621 VanDerWaalsContact OH-CE 3.27Å; Y206-M621 WeakPolarHBondContact OH-CE 3.49Å; L290-M621 HydrophobicContact CD1-CG 4.02Å; R617-M621 HydrophobicContact CG-CG 4.47Å; R617-M621 HydrophobicContact CG-SD 3.94Å; R617-M621 WeakPolarHBondContact O-CB 3.35Å; R617-M621 VanDerWaalsContact O-CG 3.27Å; R617-M621 WeakPolarHBondContact O-CG 3.45Å; R617-M621 PolarHBondContact O-N 2.61Å; R619-M621 PolarHBondContact O-N 3Å; M621-Y626 HydrophobicContact CB-CD1 4.4Å; M621-Y626 HydrophobicContact CB-CE1 4.2Å; M621-Y626 HydrophobicContact CG-CE1 3.97Å
622K98.1Very high98.3Very high150 Ų15047 Ų4765%0.65223%0.225SC*.THydrogen-bonded Turntrans-93.7-4.9176.6-71.3172.1-178.8163.70112.9S618 R619 I620S618-K622 WeakPolarHBondContact O-CB 3.49Å; S618-K622 WeakPolarHBondContact O-CD 3.44Å; S618-K622 VanDerWaalsContact O-CG 3.27Å; S618-K622 WeakPolarHBondContact O-CG 3.42Å; S618-K622 PolarHBondContact O-N 2.84Å; S618-K622 WeakPolarHBondContact OG-CE 3.34Å; S618-K622 PolarHBondContact OG-NZ 3.08Å; S618-K622 VanDerWaalsContact OG-NZ 3.1Å; R619-K622 PolarHBondContact O-N 3.47Å; I620-K622 PolarHBondContact O-N 2.91Å
623H98.6Very high98.2Very high33 Ų3348 Ų4815%0.15323%0.233CC..  trans-68139.3-178.4-164.8-78.8000110.8R619 I620 D625 Y626 I636 D639R619-H623 PolarHBondContact O-N 3.1Å; R619-H623 VanDerWaalsContact O-N 3.17Å; I620-H623 WeakPolarHBondContact O-CB 3.28Å; I620-H623 PolarHBondContact O-N 2.88Å; H623-D625 PolarHBondContact ND1-N 3Å; H623-D625 VanDerWaalsContact ND1-N 3.14Å; H623-D625 PolarHBondContact O-N 3.47Å; H623-Y626 WeakPolarHBondContact O-CB 3.46Å; H623-Y626 PolarHBondContact O-N 3.4Å; H623-I636 HydrophobicContact CB-CG1 4.3Å; H623-I636 HydrophobicContact CB-CG2 4.4Å; H623-I636 WeakPolarHBondContact ND1-CG1 3.25Å; H623-D639 IonicContact CE1-OD2 2.8Å; H623-D639 IonicContact NE2-OD2 2.7Å; H623-D639 PolarHBondContact NE2-OD2 2.8Å
624T97.9Very high98.1Very high131 Ų13149.6 Ų49.680%0.80424%0.244SC*.THydrogen-bonded Turntrans-60.6-33.1-175.950.80000113.4Y626T624-Y626 VanDerWaalsContact C-N 3.33Å
625D97.8Very high98.1Very high74 Ų7451.2 Ų51.240%0.39625%0.252SS..THydrogen-bonded Turntrans-84.1-6.5-179.4-64.47.4000113.7H623 Q635 I636H623-D625 PolarHBondContact ND1-N 3Å; H623-D625 VanDerWaalsContact ND1-N 3.14Å; H623-D625 PolarHBondContact O-N 3.47Å; D625-Q635 WeakPolarHBondContact OD2-CG 3.47Å; D625-I636 HydrophobicContact CB-CD1 4.27Å; D625-I636 HydrophobicContact CB-CG1 4.03Å
626Y98.6Very high98.1Very high16 Ų1651.2 Ų51.26%0.06325%0.252CS..  trans-77.4130.8179.8-176.4-115.4000110.7D208 L290 I620 M621 H623 T624 S630 Y631 I636D208-Y626 VanDerWaalsContact OD2-CE1 3.24Å; D208-Y626 WeakPolarHBondContact OD2-CE1 3.46Å; D208-Y626 PolarHBondContact OD2-OH 2.98Å; L290-Y626 HydrophobicContact CD1-CE2 4.26Å; L290-Y626 WeakPolarHBondContact CD1-OH 3.35Å; I620-Y626 HydrophobicContact CG2-CD2 4.11Å; I620-Y626 HydrophobicContact CG2-CE2 4.26Å; I620-Y626 VanDerWaalsContact O-CB 3.3Å; I620-Y626 WeakPolarHBondContact O-CB 3.24Å; M621-Y626 HydrophobicContact CB-CD1 4.4Å; M621-Y626 HydrophobicContact CB-CE1 4.2Å; M621-Y626 HydrophobicContact CG-CE1 3.97Å; H623-Y626 WeakPolarHBondContact O-CB 3.46Å; H623-Y626 PolarHBondContact O-N 3.4Å; T624-Y626 VanDerWaalsContact C-N 3.33Å; Y626-S630 VanDerWaalsContact OH-CA 3.32Å; Y626-S630 WeakPolarHBondContact OH-CA 3.31Å; Y626-S630 PolarHBondContact OH-N 3.4Å; Y626-S630 VanDerWaalsContact OH-N 3.15Å; Y626-Y631 WeakPolarHBondContact CD2-O 3.31Å; Y626-I636 HydrophobicContact CD2-CD1 4.32Å
627K98.2Very high98.1Very high148 Ų14851 Ų5164%0.64325%0.251SS*.  trans-106.918.1-170.1-61.3178.8-177.5174.50113.8D629K627-D629 HydrophobicContact CB-CB 4.48Å; K627-D629 PolarHBondContact O-N 3.39Å
628N98.1Very high98.1Very high61 Ų6150.9 Ų50.933%0.32625%0.252SS..SBendtrans55.929.2-173.3-57.5109.8000113.4D208 I209 C210 T211D208-N628 VanDerWaalsContact CB-O 3.26Å; D208-N628 WeakPolarHBondContact CB-O 3.41Å; D208-N628 VanDerWaalsContact OD2-CA 3.3Å; D208-N628 WeakPolarHBondContact OD2-CA 3.42Å; D208-N628 PolarHBondContact OD2-ND2 3.38Å; I209-N628 HydrophobicContact CB-CB 4.24Å; I209-N628 PolarHBondContact N-O 2.95Å; C210-N628 CarbonylContact C-O 3.52Å; C210-N628 VanDerWaalsContact CA-O 3.27Å; C210-N628 WeakPolarHBondContact CA-O 3.01Å; C210-N628 HydrophobicContact CB-CB 4.48Å; C210-N628 VanDerWaalsContact CB-O 3.24Å; C210-N628 WeakPolarHBondContact CB-O 3.44Å; C210-N628 PolarHBondContact N-O 3.25Å; T211-N628 PolarHBondContact N-O 3.05Å
629D97.4Very high98.1Very high40 Ų4052.6 Ų52.621%0.21426%0.259CS..SBendtrans-1129.3-174.961.7-5.5000112.6C210 K627 Y631C210-D629 HydrophobicContact CB-CB 4.15Å; K627-D629 HydrophobicContact CB-CB 4.48Å; K627-D629 PolarHBondContact O-N 3.39Å; D629-Y631 PolarHBondContact O-N 3.13Å; D629-Y631 WeakPolarHBondContact OD1-CB 3.25Å; D629-Y631 PolarHBondContact OD1-N 3.41Å
630S98.2Very high98.1Very high0 Ų048.8 Ų48.80%025%0.245CC..SBendtrans63.73.7-172-61.30000115.4Y206 T211 Y289 L290 Y626Y206-S630 WeakPolarHBondContact CD1-OG 3.42Å; Y206-S630 WeakPolarHBondContact O-CB 3.11Å; Y206-S630 PolarHBondContact O-OG 3.23Å; T211-S630 PolarHBondContact OG1-OG 2.87Å; Y289-S630 CarbonylContact C-O 3.58Å; Y289-S630 WeakPolarHBondContact CA-O 3.16Å; L290-S630 PolarHBondContact N-O 3.01Å; Y626-S630 VanDerWaalsContact OH-CA 3.32Å; Y626-S630 WeakPolarHBondContact OH-CA 3.31Å; Y626-S630 PolarHBondContact OH-N 3.4Å; Y626-S630 VanDerWaalsContact OH-N 3.15Å
631Y97.9Very high98.1Very high87 Ų8748.8 Ų48.834%0.34125%0.245SC..BIsolated β-bridgetrans-86.1139.9179.7-178.4-105.5000112.1R147 G288 Y289 Y626 D629R147-Y631 PolarHBondContact NH1-OH 2.73Å; G288-Y631 WeakPolarHBondContact O-CD2 3.44Å; Y289-Y631 HydrophobicContact CD1-CD2 4.29Å; Y289-Y631 AromaticContact CE1-CD2 3.82Å; Y289-Y631 HydrophobicContact CE1-CD2 3.82Å; Y626-Y631 WeakPolarHBondContact CD2-O 3.31Å; D629-Y631 PolarHBondContact O-N 3.13Å; D629-Y631 WeakPolarHBondContact OD1-CB 3.25Å; D629-Y631 PolarHBondContact OD1-N 3.41Å
632I98.2Very high98Very high1 Ų151.8 Ų51.81%0.00526%0.256CS..  trans-114.7104178.9-56.2169.6000107.6P146 R147 A285 G288 L290 I620 I636 N637P146-I632 HydrophobicContact CB-CD1 4.29Å; R147-I632 HydrophobicContact CG-CG2 4.44Å; R147-I632 PolarHBondContact NH1-O 2.94Å; A285-I632 HydrophobicContact CB-CD1 3.37Å; G288-I632 PolarHBondContact O-N 3.49Å; L290-I632 HydrophobicContact CD2-CD1 4.22Å; L290-I632 HydrophobicContact CG-CD1 4.36Å; I620-I632 HydrophobicContact CD1-CD1 3.87Å; I620-I632 HydrophobicContact CD1-CG1 4.4Å; I620-I632 HydrophobicContact CG2-CG1 4.12Å; I632-I636 HydrophobicContact CG2-CB 4.01Å; I632-I636 HydrophobicContact CG2-CG2 3.81Å; I632-N637 HydrophobicContact CG2-CB 4.25Å
633S97.4Very high98Very high26 Ų2646.4 Ų46.418%0.18223%0.233CC..  trans-68.6167.1177.775.40000112.3Q635 I636 N637S633-Q635 PolarHBondContact O-N 3.28Å; S633-Q635 PolarHBondContact OG-N 3.5Å; S633-I636 PolarHBondContact O-N 3.14Å; S633-I636 WeakPolarHBondContact OG-CG1 3.31Å; S633-I636 PolarHBondContact OG-N 3.04Å; S633-N637 WeakPolarHBondContact O-CB 3.47Å; S633-N637 PolarHBondContact O-N 2.9Å
634S96.9Very high98Very high33 Ų3344.8 Ų44.823%0.23123%0.226CC..Hα-helixtrans-58.9-36.6174.6-167.80000111.8N637 S638S634-N637 PolarHBondContact O-N 2.7Å; S634-S638 WeakPolarHBondContact O-CB 3.47Å; S634-S638 PolarHBondContact O-N 2.78Å; S634-S638 PolarHBondContact O-OG 3Å
635Q97.7Very high98Very high87 Ų8740 Ų4041%0.40719%0.193SC..Hα-helixtrans-64-52.7175.2-173.359.847.800111.8D625 S633 N637 S638 D639D625-Q635 WeakPolarHBondContact OD2-CG 3.47Å; S633-Q635 PolarHBondContact O-N 3.28Å; S633-Q635 PolarHBondContact OG-N 3.5Å; Q635-N637 VanDerWaalsContact C-N 3.27Å; Q635-N637 PolarHBondContact O-N 3.48Å; Q635-S638 PolarHBondContact O-N 3.39Å; Q635-S638 VanDerWaalsContact O-N 3.07Å; Q635-D639 VanDerWaalsContact NE2-CG 3.3Å; Q635-D639 PolarHBondContact NE2-OD1 3.13Å; Q635-D639 PolarHBondContact NE2-OD2 2.96Å; Q635-D639 PolarHBondContact O-N 3.32Å
636I98.4Very high98Very high1 Ų137.9 Ų37.91%0.00518%0.181CC..Hα-helixtrans-55.5-46.2177.9-62.5169000110.1I620 H623 D625 Y626 I632 S633 S638 D639 I640I620-I636 HydrophobicContact CB-CG2 4.44Å; I620-I636 HydrophobicContact CG1-CG2 4.08Å; I620-I636 HydrophobicContact CG2-CG2 4.18Å; H623-I636 HydrophobicContact CB-CG1 4.3Å; H623-I636 HydrophobicContact CB-CG2 4.4Å; H623-I636 WeakPolarHBondContact ND1-CG1 3.25Å; D625-I636 HydrophobicContact CB-CD1 4.27Å; D625-I636 HydrophobicContact CB-CG1 4.03Å; Y626-I636 HydrophobicContact CD2-CD1 4.32Å; I632-I636 HydrophobicContact CG2-CB 4.01Å; I632-I636 HydrophobicContact CG2-CG2 3.81Å; S633-I636 PolarHBondContact O-N 3.14Å; S633-I636 WeakPolarHBondContact OG-CG1 3.31Å; S633-I636 PolarHBondContact OG-N 3.04Å; I636-S638 VanDerWaalsContact C-N 3.34Å; I636-S638 PolarHBondContact O-N 2.76Å; I636-D639 PolarHBondContact O-N 3.08Å; I636-I640 HydrophobicContact CG2-CG1 4.23Å; I636-I640 WeakPolarHBondContact O-CB 3.29Å; I636-I640 WeakPolarHBondContact O-CG1 3.49Å; I636-I640 PolarHBondContact O-N 2.84Å
637N98.6Very high98Very high2 Ų237.2 Ų37.21%0.01118%0.179CC..Hα-helixtrans-59.4-45.4178.6-179.780.5000112A65 F145 R147 I632 S633 S634 Q635 I640 I641A65-N637 PolarHBondContact O-ND2 3.19Å; F145-N637 VanDerWaalsContact CZ-ND2 3.31Å; F145-N637 WeakPolarHBondContact CZ-ND2 3.26Å; R147-N637 HydrophobicContact CG-CB 3.81Å; I632-N637 HydrophobicContact CG2-CB 4.25Å; S633-N637 WeakPolarHBondContact O-CB 3.47Å; S633-N637 PolarHBondContact O-N 2.9Å; S634-N637 PolarHBondContact O-N 2.7Å; Q635-N637 VanDerWaalsContact C-N 3.27Å; Q635-N637 PolarHBondContact O-N 3.48Å; N637-I640 PolarHBondContact O-N 3.32Å; N637-I641 WeakPolarHBondContact O-CB 3.45Å; N637-I641 WeakPolarHBondContact O-CG1 3.48Å; N637-I641 PolarHBondContact O-N 3.36Å
638S98.3Very high97.9Very high7 Ų730.9 Ų30.95%0.04915%0.153CC..Hα-helixtrans-64.6-42.5-177.8-56.80000112H63 A64 A65 S634 Q635 I636 I641 K642H63-S638 WeakPolarHBondContact O-CB 3.44Å; A64-S638 WeakPolarHBondContact CA-OG 3.2Å; A65-S638 PolarHBondContact N-OG 3.15Å; S634-S638 WeakPolarHBondContact O-CB 3.47Å; S634-S638 PolarHBondContact O-N 2.78Å; S634-S638 PolarHBondContact O-OG 3Å; Q635-S638 PolarHBondContact O-N 3.39Å; Q635-S638 VanDerWaalsContact O-N 3.07Å; I636-S638 VanDerWaalsContact C-N 3.34Å; I636-S638 PolarHBondContact O-N 2.76Å; S638-I641 PolarHBondContact O-N 2.79Å; S638-K642 WeakPolarHBondContact O-CB 3.21Å; S638-K642 PolarHBondContact O-N 3.49Å
639D98.2Very high97.7Very high60 Ų6034.4 Ų34.432%0.32116%0.161SC..Hα-helixtrans-67.3-41.3177.9-68.4-31.9000112H623 Q635 I636 K642 E643H623-D639 IonicContact CE1-OD2 2.8Å; H623-D639 IonicContact NE2-OD2 2.7Å; H623-D639 PolarHBondContact NE2-OD2 2.8Å; Q635-D639 VanDerWaalsContact NE2-CG 3.3Å; Q635-D639 PolarHBondContact NE2-OD1 3.13Å; Q635-D639 PolarHBondContact NE2-OD2 2.96Å; Q635-D639 PolarHBondContact O-N 3.32Å; I636-D639 PolarHBondContact O-N 3.08Å; D639-K642 PolarHBondContact O-N 2.73Å; D639-E643 WeakPolarHBondContact O-CB 3.49Å; D639-E643 PolarHBondContact O-N 2.95Å
640I98.3Very high97.4Very high4 Ų435.2 Ų35.22%0.02118%0.179CC..Hα-helixtrans-64.8-44.5175.4-66.7-66.2000111.5M616 R619 I620 I636 N637 K642 E643 C644M616-I640 HydrophobicContact CE-CG2 4.31Å; M616-I640 HydrophobicContact CG-CG2 3.83Å; M616-I640 HydrophobicContact SD-CG2 4.26Å; R619-I640 HydrophobicContact CB-CD1 3.34Å; R619-I640 HydrophobicContact CG-CD1 4.42Å; I620-I640 HydrophobicContact CG1-CD1 4.01Å; I620-I640 HydrophobicContact CG1-CG1 3.87Å; I636-I640 HydrophobicContact CG2-CG1 4.23Å; I636-I640 WeakPolarHBondContact O-CB 3.29Å; I636-I640 WeakPolarHBondContact O-CG1 3.49Å; I636-I640 PolarHBondContact O-N 2.84Å; N637-I640 PolarHBondContact O-N 3.32Å; I640-K642 VanDerWaalsContact C-N 3.33Å; I640-K642 PolarHBondContact O-N 2.96Å; I640-E643 PolarHBondContact O-N 3.38Å; I640-C644 WeakPolarHBondContact O-CB 3.43Å; I640-C644 PolarHBondContact O-N 2.98Å; I640-C644 PolarHBondContact O-SG 3.23Å
641I98.5Very high97.3Very high0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-64.1-40.1178.8-71.7-65.5000111.2V56 I58 A65 I138 L140 I142 F145 N637 S638 C644 W645V56-I641 HydrophobicContact CG1-CG2 4.05Å; I58-I641 HydrophobicContact CD1-CG2 4.14Å; A65-I641 HydrophobicContact CB-CB 3.82Å; A65-I641 HydrophobicContact CB-CG1 4.05Å; A65-I641 HydrophobicContact CB-CG2 3.7Å; I138-I641 HydrophobicContact CD1-CG2 4.38Å; L140-I641 HydrophobicContact CD1-CD1 4.22Å; L140-I641 HydrophobicContact CD1-CG2 3.84Å; I142-I641 HydrophobicContact CD1-CD1 4Å; F145-I641 HydrophobicContact CD2-CD1 3.98Å; F145-I641 HydrophobicContact CE2-CD1 3.89Å; F145-I641 HydrophobicContact CE2-CG1 4.01Å; N637-I641 WeakPolarHBondContact O-CB 3.45Å; N637-I641 WeakPolarHBondContact O-CG1 3.48Å; N637-I641 PolarHBondContact O-N 3.36Å; S638-I641 PolarHBondContact O-N 2.79Å; I641-C644 WeakPolarHBondContact O-CB 3.31Å; I641-C644 PolarHBondContact O-N 3.26Å; I641-W645 PolarHBondContact O-N 3.25Å
642K97.6Very high97.1Very high126 Ų12638.2 Ų38.255%0.54820%0.204SC..Hα-helixtrans-62-45.9173.4-177.1-178.9177.9-177.40111.4S638 D639 I640 C644 W645 D646S638-K642 WeakPolarHBondContact O-CB 3.21Å; S638-K642 PolarHBondContact O-N 3.49Å; D639-K642 PolarHBondContact O-N 2.73Å; I640-K642 VanDerWaalsContact C-N 3.33Å; I640-K642 PolarHBondContact O-N 2.96Å; K642-C644 VanDerWaalsContact C-N 3.35Å; K642-C644 PolarHBondContact O-N 3.29Å; K642-W645 WeakPolarHBondContact O-CB 3.49Å; K642-W645 PolarHBondContact O-N 3.29Å; K642-W645 VanDerWaalsContact O-N 3.12Å; K642-D646 PolarHBondContact O-N 3.03Å
643E97.9Very high97Very high37 Ų3743.4 Ų43.417%0.17322%0.223CC..Hα-helixtrans-61.3-43.4177-162.8172.5177.200111.1W615 R619 D639 I640 W645 D646 I647 I652W615-E643 HydrophobicContact CH2-CB 4.37Å; W615-E643 HydrophobicContact CH2-CG 4.01Å; W615-E643 HydrophobicContact CZ2-CG 4Å; R619-E643 IonicContact CZ-OE1 2.76Å; R619-E643 VanDerWaalsContact CZ-OE1 3.28Å; R619-E643 IonicContact CZ-OE2 3.02Å; R619-E643 IonicContact NE-OE1 3.19Å; R619-E643 PolarHBondContact NE-OE1 3.19Å; R619-E643 VanDerWaalsContact NE-OE1 3.12Å; R619-E643 IonicContact NE-OE2 3.28Å; R619-E643 PolarHBondContact NE-OE2 2.84Å; R619-E643 IonicContact NH2-OE1 2.61Å; R619-E643 PolarHBondContact NH2-OE1 3.46Å; R619-E643 IonicContact NH2-OE2 3.69Å; R619-E643 PolarHBondContact NH2-OE2 2.91Å; D639-E643 WeakPolarHBondContact O-CB 3.49Å; D639-E643 PolarHBondContact O-N 2.95Å; I640-E643 PolarHBondContact O-N 3.38Å; E643-W645 VanDerWaalsContact C-N 3.3Å; E643-W645 PolarHBondContact O-N 3.31Å; E643-D646 PolarHBondContact O-N 3.34Å; E643-I647 WeakPolarHBondContact O-CG1 3.32Å; E643-I647 PolarHBondContact O-N 2.83Å; E643-I652 HydrophobicContact CG-CD1 3.45Å; E643-I652 VanDerWaalsContact CG-CD1 3.45Å
644C98.5Very high96.9Very high0 Ų042.7 Ų42.70%022%0.218CC..Hα-helixtrans-56.1-43.5172.2-72.30000112L140 L434 I640 I641 K642 I647 T648L140-C644 HydrophobicContact CD2-CB 4.3Å; L434-C644 HydrophobicContact CD1-CB 4.38Å; L434-C644 HydrophobicContact CD2-CB 4.01Å; I640-C644 WeakPolarHBondContact O-CB 3.43Å; I640-C644 PolarHBondContact O-N 2.98Å; I640-C644 PolarHBondContact O-SG 3.23Å; I641-C644 WeakPolarHBondContact O-CB 3.31Å; I641-C644 PolarHBondContact O-N 3.26Å; K642-C644 VanDerWaalsContact C-N 3.35Å; K642-C644 PolarHBondContact O-N 3.29Å; C644-I647 WeakPolarHBondContact O-CB 3.44Å; C644-I647 PolarHBondContact O-N 3.01Å; C644-T648 PolarHBondContact O-N 3.08Å; C644-T648 PolarHBondContact O-OG1 3.29Å; C644-T648 VanDerWaalsContact O-OG1 3.05Å
645W97.4Very high96.9Very high31 Ų3144.3 Ų44.312%0.11723%0.228CC..Hα-helixtrans-67.3-38.6178.3-177.1-131.6000113.2V130 I138 A139 L140 I641 K642 E643 I647 T648 R649V130-W645 HydrophobicContact CG2-CH2 4.06Å; I138-W645 HydrophobicContact CB-CD2 4.02Å; I138-W645 HydrophobicContact CB-CE3 4.35Å; I138-W645 HydrophobicContact CB-CG 4.46Å; I138-W645 HydrophobicContact CB-CH2 4.45Å; I138-W645 HydrophobicContact CB-CZ2 4.11Å; I138-W645 HydrophobicContact CD1-CB 3.77Å; I138-W645 HydrophobicContact CD1-CD2 4Å; I138-W645 HydrophobicContact CD1-CE3 4.46Å; I138-W645 HydrophobicContact CD1-CG 3.69Å; I138-W645 HydrophobicContact CG2-CD2 4.07Å; I138-W645 HydrophobicContact CG2-CG 4.27Å; I138-W645 HydrophobicContact CG2-CZ2 3.94Å; A139-W645 WeakPolarHBondContact O-CZ3 3.34Å; L140-W645 HydrophobicContact CD2-CB 4.1Å; L140-W645 HydrophobicContact CD2-CE3 3.78Å; L140-W645 HydrophobicContact CG-CE3 4.48Å; I641-W645 PolarHBondContact O-N 3.25Å; K642-W645 WeakPolarHBondContact O-CB 3.49Å; K642-W645 PolarHBondContact O-N 3.29Å; K642-W645 VanDerWaalsContact O-N 3.12Å; E643-W645 VanDerWaalsContact C-N 3.3Å; E643-W645 PolarHBondContact O-N 3.31Å; W645-I647 VanDerWaalsContact C-N 3.28Å; W645-I647 PolarHBondContact O-N 3.34Å; W645-T648 HydrophobicContact CE3-CG2 3.9Å; W645-T648 HydrophobicContact CZ3-CG2 3.7Å; W645-T648 PolarHBondContact O-N 2.74Å; W645-R649 HydrophobicContact CD2-CG 4Å; W645-R649 HydrophobicContact CE3-CG 4.16Å; W645-R649 HydrophobicContact CH2-CG 3.96Å; W645-R649 HydrophobicContact CZ2-CG 3.79Å; W645-R649 HydrophobicContact CZ3-CG 4.15Å; W645-R649 VanDerWaalsContact NE1-CZ 3.28Å; W645-R649 WeakPolarHBondContact O-CG 3.45Å; W645-R649 PolarHBondContact O-N 3.06Å
646D97.8Very high96.8Very high29 Ų2943.1 Ų43.116%0.15522%0.222CC..Hα-helixtrans-64.3-35.8174.8-70.7-21.5000111.4K642 E643 R649 G650 V651 I652K642-D646 PolarHBondContact O-N 3.03Å; E643-D646 PolarHBondContact O-N 3.34Å; D646-R649 IonicContact OD1-CZ 3.24Å; D646-R649 IonicContact OD1-NE 3.66Å; D646-R649 IonicContact OD1-NH2 3.58Å; D646-R649 PolarHBondContact OD1-NH2 2.94Å; D646-G650 PolarHBondContact O-N 3.17Å; D646-V651 HydrophobicContact CB-CB 4.11Å; D646-V651 HydrophobicContact CB-CG1 4.46Å; D646-V651 WeakPolarHBondContact O-CB 3.08Å; D646-V651 PolarHBondContact O-N 3.25Å; D646-I652 HydrophobicContact CB-CD1 3.85Å; D646-I652 HydrophobicContact CB-CG1 3.76Å; D646-I652 HydrophobicContact CB-CG2 4.41Å; D646-I652 PolarHBondContact O-N 3.21Å
647I97.8Very high96.8Very high2 Ų243 Ų431%0.0122%0.222CC..Hα-helixtrans-66.5-50.3172-66.2165.4000111L434 T435 W615 E643 C644 W645 R649 G650 I652 P654 L657 L658L434-I647 HydrophobicContact CB-CG2 4.15Å; L434-I647 HydrophobicContact CD1-CB 4.36Å; L434-I647 HydrophobicContact CD1-CD1 3.93Å; L434-I647 HydrophobicContact CD1-CG2 4.14Å; T435-I647 HydrophobicContact CG2-CG2 3.75Å; W615-I647 HydrophobicContact CH2-CD1 3.32Å; W615-I647 HydrophobicContact CZ2-CD1 3.33Å; W615-I647 HydrophobicContact CZ3-CD1 4.02Å; E643-I647 WeakPolarHBondContact O-CG1 3.32Å; E643-I647 PolarHBondContact O-N 2.83Å; C644-I647 WeakPolarHBondContact O-CB 3.44Å; C644-I647 PolarHBondContact O-N 3.01Å; W645-I647 VanDerWaalsContact C-N 3.28Å; W645-I647 PolarHBondContact O-N 3.34Å; I647-R649 PolarHBondContact O-N 3.25Å; I647-G650 PolarHBondContact O-N 3.47Å; I647-I652 HydrophobicContact CB-CG1 4.47Å; I647-I652 HydrophobicContact CD1-CD1 4.42Å; I647-I652 HydrophobicContact CG1-CD1 3.8Å; I647-I652 HydrophobicContact CG1-CG1 3.55Å; I647-P654 HydrophobicContact CD1-CG 3.72Å; I647-P654 HydrophobicContact CG1-CG 3.95Å; I647-L657 HydrophobicContact CD1-CD2 4.16Å; I647-L658 HydrophobicContact CG2-CD1 4.07Å
648T96.2Very high96.7Very high15 Ų1543.3 Ų43.39%0.09222%0.223CC..Hα-helixtrans-55.1-37.3179.8-650000111.8L434 C644 W645L434-T648 WeakPolarHBondContact O-CB 3.3Å; L434-T648 PolarHBondContact O-OG1 2.85Å; C644-T648 PolarHBondContact O-N 3.08Å; C644-T648 PolarHBondContact O-OG1 3.29Å; C644-T648 VanDerWaalsContact O-OG1 3.05Å; W645-T648 HydrophobicContact CE3-CG2 3.9Å; W645-T648 HydrophobicContact CZ3-CG2 3.7Å; W645-T648 PolarHBondContact O-N 2.74Å
649R94Very high96.4Very high135 Ų13543.4 Ų43.451%0.50922%0.224SC..THydrogen-bonded Turntrans-83-9.1177.5-67.3-172.6-65.4177.23114.5W645 D646 I647 V651W645-R649 HydrophobicContact CD2-CG 4Å; W645-R649 HydrophobicContact CE3-CG 4.16Å; W645-R649 HydrophobicContact CH2-CG 3.96Å; W645-R649 HydrophobicContact CZ2-CG 3.79Å; W645-R649 HydrophobicContact CZ3-CG 4.15Å; W645-R649 VanDerWaalsContact NE1-CZ 3.28Å; W645-R649 WeakPolarHBondContact O-CG 3.45Å; W645-R649 PolarHBondContact O-N 3.06Å; D646-R649 IonicContact OD1-CZ 3.24Å; D646-R649 IonicContact OD1-NE 3.66Å; D646-R649 IonicContact OD1-NH2 3.58Å; D646-R649 PolarHBondContact OD1-NH2 2.94Å; I647-R649 PolarHBondContact O-N 3.25Å; R649-V651 VanDerWaalsContact C-N 3.3Å; R649-V651 HydrophobicContact CB-CG2 4Å
650G92.3Very high95.6Very high57 Ų5747.5 Ų47.559%0.58824%0.24SC*.THydrogen-bonded Turntrans72.818.3-174.300000114.4D646 I647 I652D646-G650 PolarHBondContact O-N 3.17Å; I647-G650 PolarHBondContact O-N 3.47Å; G650-I652 VanDerWaalsContact C-N 3.35Å
651V94.8Very high94.3Very high94 Ų9454.1 Ų54.157%0.5728%0.276SS*.SBendtrans-68.1-40.4173.1176.10000110.1D646 R649D646-V651 HydrophobicContact CB-CB 4.11Å; D646-V651 HydrophobicContact CB-CG1 4.46Å; D646-V651 WeakPolarHBondContact O-CB 3.08Å; D646-V651 PolarHBondContact O-N 3.25Å; R649-V651 VanDerWaalsContact C-N 3.3Å; R649-V651 HydrophobicContact CB-CG2 4Å
652I94.3Very high93.1Very high56 Ų5655 Ų5529%0.28728%0.282SS..  trans-122.9150.6171.366.4179.2000109.5E643 D646 I647 G650E643-I652 HydrophobicContact CG-CD1 3.45Å; E643-I652 VanDerWaalsContact CG-CD1 3.45Å; D646-I652 HydrophobicContact CB-CD1 3.85Å; D646-I652 HydrophobicContact CB-CG1 3.76Å; D646-I652 HydrophobicContact CB-CG2 4.41Å; D646-I652 PolarHBondContact O-N 3.21Å; I647-I652 HydrophobicContact CB-CG1 4.47Å; I647-I652 HydrophobicContact CD1-CD1 4.42Å; I647-I652 HydrophobicContact CG1-CD1 3.8Å; I647-I652 HydrophobicContact CG1-CG1 3.55Å; G650-I652 VanDerWaalsContact C-N 3.35Å
653R95Very high92Very high109 Ų10951.7 Ų51.741%0.41127%0.273SS..  trans-139.684.3-178.7-164.9179.2179.4134.99.4109.7L658 P659 S662R653-L658 HydrophobicContact CG-CB 3.99Å; R653-L658 HydrophobicContact CG-CD1 3.72Å; R653-P659 PolarHBondContact NE-O 2.97Å; R653-P659 PolarHBondContact NH2-O 3.42Å; R653-S662 VanDerWaalsContact CZ-OG 3.28Å; R653-S662 PolarHBondContact NH1-OG 3.38Å; R653-S662 VanDerWaalsContact NH1-OG 3.09Å; R653-S662 PolarHBondContact NH2-OG 2.86Å
654P96.3Very high90.8Very high11 Ų1156.6 Ų56.67%0.07130%0.298CS..  trans-62122.4-174.8-2131.4000110.7W615 I647 E656 L657 L658W615-P654 HydrophobicContact CZ2-CG 4.34Å; I647-P654 HydrophobicContact CD1-CG 3.72Å; I647-P654 HydrophobicContact CG1-CG 3.95Å; P654-E656 HydrophobicContact CB-CG 4.39Å; P654-E656 PolarHBondContact O-N 3.34Å; P654-L657 HydrophobicContact CB-CB 4.15Å; P654-L657 PolarHBondContact O-N 2.96Å; P654-L658 PolarHBondContact O-N 2.98Å
655P96.2Very high89.6Confident68 Ų6857.3 Ų57.344%0.44230%0.303SS..THydrogen-bonded Turntrans-65.9-22.4-177.428.1-36.8000113L609 L657 H660L609-P655 WeakPolarHBondContact CD2-O 3.39Å; P655-L657 VanDerWaalsContact C-N 3.31Å; P655-H660 VanDerWaalsContact CB-CE1 3.49Å; P655-H660 WeakPolarHBondContact CB-CE1 3.42Å
656E96.7Very high88.4Confident61 Ų6160.2 Ų60.229%0.28532%0.32SS..THydrogen-bonded Turntrans-75.7-16.417467.9-89.5-154.200113.7M610 P654M610-E656 WeakPolarHBondContact CB-O 3.37Å; M610-E656 HydrophobicContact CE-CB 4.25Å; M610-E656 HydrophobicContact CE-CG 4.49Å; M610-E656 HydrophobicContact CG-CB 4.38Å; M610-E656 WeakPolarHBondContact CG-O 3.34Å; M610-E656 PolarHBondContact N-O 3.15Å; M610-E656 HydrophobicContact SD-CB 4.34Å; M610-E656 HydrophobicContact SD-CG 4.19Å; P654-E656 HydrophobicContact CB-CG 4.39Å; P654-E656 PolarHBondContact O-N 3.34Å
657L97.3Very high87.4Confident0 Ų060.7 Ų60.70%033%0.326CS..THydrogen-bonded Turntrans-111.1-37.6-176.6-179.164.3000112.5L434 W615 I647 P654 P655L434-L657 HydrophobicContact CD1-CD2 4.09Å; W615-L657 HydrophobicContact CB-CD1 4Å; W615-L657 HydrophobicContact CD2-CD2 3.96Å; W615-L657 HydrophobicContact CE3-CD2 4.26Å; W615-L657 HydrophobicContact CG-CB 4.24Å; W615-L657 HydrophobicContact CG-CD1 4.27Å; W615-L657 HydrophobicContact CG-CD2 4.11Å; W615-L657 HydrophobicContact CG-CG 4.44Å; I647-L657 HydrophobicContact CD1-CD2 4.16Å; P654-L657 HydrophobicContact CB-CB 4.15Å; P654-L657 PolarHBondContact O-N 2.96Å; P655-L657 VanDerWaalsContact C-N 3.31Å
658L96.5Very high85.8Confident8 Ų865.1 Ų65.14%0.04236%0.357CS..SBendtrans-122.9142.9-173-65.5174000111.2T435 E438 I647 R653 P654T435-L658 HydrophobicContact CG2-CD1 4.16Å; E438-L658 HydrophobicContact CG-CD2 3.66Å; I647-L658 HydrophobicContact CG2-CD1 4.07Å; R653-L658 HydrophobicContact CG-CB 3.99Å; R653-L658 HydrophobicContact CG-CD1 3.72Å; P654-L658 PolarHBondContact O-N 2.98Å
659P92.7Very high83.6Confident8 Ų866.6 Ų66.65%0.05237%0.368CS..  trans-65.9145.1175.827.5-33.4000111.4F437 L609 R653F437-P659 HydrophobicContact CE1-CG 3.95Å; F437-P659 HydrophobicContact CZ-CG 4.03Å; L609-P659 HydrophobicContact CD1-CB 4.36Å; R653-P659 PolarHBondContact NE-O 2.97Å; R653-P659 PolarHBondContact NH2-O 3.42Å
660H81.3Confident81.6Confident146 Ų14661.3 Ų61.368%0.67635%0.349SS*.SBendtrans-63.6-46.5176.2-75.3-68.7000112.6P655 S662P655-H660 VanDerWaalsContact CB-CE1 3.49Å; P655-H660 WeakPolarHBondContact CB-CE1 3.42Å; H660-S662 PolarHBondContact O-N 2.93Å
661D71.2Confident79.1Confident143 Ų14362.7 Ų62.777%0.76535%0.35SS*.SBendtrans-104.454.2-169.2-58.6-37.6000112.5
662S74.1Confident76.1Confident19 Ų1963 Ų6313%0.13336%0.356CS..PPolyproline II helixtrans-77.2133.917569.30000111.7S596 R653 H660 I664S596-S662 WeakPolarHBondContact OG-CA 3.39Å; R653-S662 VanDerWaalsContact CZ-OG 3.28Å; R653-S662 PolarHBondContact NH1-OG 3.38Å; R653-S662 VanDerWaalsContact NH1-OG 3.09Å; R653-S662 PolarHBondContact NH2-OG 2.86Å; H660-S662 PolarHBondContact O-N 2.93Å; S662-I664 PolarHBondContact O-N 3.33Å
663V73.6Confident73.2Confident57 Ų5765.3 Ų65.335%0.34536%0.364SS..PPolyproline II helixtrans-62.4123.6169178.80000109D592 L593 S596D592-V663 HydrophobicContact CB-CG2 4.29Å; L593-V663 HydrophobicContact CB-CG1 4.45Å; L593-V663 HydrophobicContact CD1-CB 4.27Å; L593-V663 HydrophobicContact CD1-CG1 4.36Å; S596-V663 PolarHBondContact OG-N 2.92Å
664I72.5Confident70.5Confident139 Ų13963.6 Ų63.671%0.71336%0.362SS*.PPolyproline II helixtrans-84.4119.7178.2-61.2175.3000108.9S662 N666S662-I664 PolarHBondContact O-N 3.33Å; I664-N666 PolarHBondContact O-N 3.4Å
665V73.7Confident67.4Low15 Ų1570.3 Ų70.39%0.09139%0.394CS..PPolyproline II helixtrans-72120.5174.6-167.60000110.5E119 C120 L593 C667 L670E119-V665 HydrophobicContact CB-CG2 4.48Å; C120-V665 WeakPolarHBondContact SG-CG1 3.34Å; L593-V665 HydrophobicContact CD1-CG2 3.42Å; L593-V665 VanDerWaalsContact CD1-CG2 3.42Å; L593-V665 HydrophobicContact CD2-CG1 4.48Å; L593-V665 HydrophobicContact CD2-CG2 3.5Å; L593-V665 HydrophobicContact CG-CG2 4.09Å; V665-C667 PolarHBondContact O-N 2.92Å; V665-C667 VanDerWaalsContact O-N 3.11Å; V665-L670 HydrophobicContact CG1-CD1 4.07Å
666N73Confident64.3Low92 Ų9274.5 Ų74.549%0.49241%0.406SS..  trans-81.886.7172.4-174.3-2.4000111.7I664 S668 S669I664-N666 PolarHBondContact O-N 3.4Å; N666-S668 PolarHBondContact O-N 2.78Å; N666-S668 PolarHBondContact OD1-N 2.85Å; N666-S668 PolarHBondContact OD1-OG 3.26Å; N666-S669 PolarHBondContact O-N 3.29Å; N666-S669 VanDerWaalsContact O-N 3.15Å; N666-S669 PolarHBondContact O-OG 3.42Å
667C75.5Confident61.3Low40 Ų4075.6 Ų75.627%0.2741%0.413SS..THydrogen-bonded Turntrans-62-22.3-178.9-59.90000114.8C120 V665 S669C120-C667 WeakPolarHBondContact CA-SG 3.48Å; C120-C667 HydrophobicContact CB-CB 3.73Å; C120-C667 WeakPolarHBondContact CB-SG 3.46Å; C120-C667 WeakPolarHBondContact SG-CA 3.38Å; C120-C667 WeakPolarHBondContact SG-CB 3.45Å; C120-C667 CovalentContact SG-SG 2.04Å; C120-C667 PolarHBondContact SG-SG 3.33Å; V665-C667 PolarHBondContact O-N 2.92Å; V665-C667 VanDerWaalsContact O-N 3.11Å; C667-S669 VanDerWaalsContact C-N 3.31Å; C667-S669 PolarHBondContact O-N 3.19Å
668S64Low58.1Low95 Ų9582.5 Ų82.566%0.66444%0.444SS*.THydrogen-bonded Turntrans-72.5-23.9178.169.50000113.3N666N666-S668 PolarHBondContact O-N 2.78Å; N666-S668 PolarHBondContact OD1-N 2.85Å; N666-S668 PolarHBondContact OD1-OG 3.26Å
669S51.2Low55Low46 Ų4685.9 Ų85.932%0.32247%0.468SS..SBendtrans-84.9-15.8-176.871.90000114.2N666 C667N666-S669 PolarHBondContact O-N 3.29Å; N666-S669 VanDerWaalsContact O-N 3.15Å; N666-S669 PolarHBondContact O-OG 3.42Å; C667-S669 VanDerWaalsContact C-N 3.31Å; C667-S669 PolarHBondContact O-N 3.19Å
670L50.9Low52Low23 Ų2393.4 Ų93.412%0.1250%0.502CS..Hα-helixtrans-74.6-29.4-170.8-90.3129.3000114.3N116 T117 C120 V665 C672 K673 L674N116-L670 HydrophobicContact CB-CD2 4.14Å; N116-L670 WeakPolarHBondContact O-CD1 3.37Å; T117-L670 HydrophobicContact CG2-CD2 3.64Å; C120-L670 HydrophobicContact CB-CD1 4.38Å; C120-L670 VanDerWaalsContact SG-CD1 3.58Å; V665-L670 HydrophobicContact CG1-CD1 4.07Å; L670-C672 PolarHBondContact O-N 2.93Å; L670-K673 PolarHBondContact O-N 3.45Å; L670-L674 HydrophobicContact CD2-CD1 4.22Å; L670-L674 PolarHBondContact O-N 2.84Å; L670-L674 VanDerWaalsContact O-N 3.13Å
671S41.3Very low49.4Very low87 Ų8791.8 Ų91.861%0.60851%0.506SS*.Hα-helixtrans-59.6-33.4177.2640000111.9
672C30.8Very low47.2Very low100 Ų10091.7 Ų91.768%0.67651%0.506SS*.Hα-helixtrans-78.6-35.3-179.4-127.60000113L670L670-C672 PolarHBondContact O-N 2.93Å
673K34.2Very low44.9Very low105 Ų105100.1 Ų100.146%0.45754%0.543SS..Hα-helixtrans-77.7-36.6-178.6-73.4-175.8179.7178.80112.5E589 L670 K676E589-K673 IonicContact OE2-NZ 3.18Å; E589-K673 PolarHBondContact OE2-NZ 3.17Å; L670-K673 PolarHBondContact O-N 3.45Å; K673-K676 PolarHBondContact O-N 2.69Å
674L38.1Very low42.6Very low73 Ų73102.4 Ų102.438%0.38256%0.561SS.*Hα-helixtrans-72.8-31.9-178.9-85.8154.2000113.9T117 L670 K676 N677 F678T117-L674 HydrophobicContact CG2-CD1 3.82Å; L670-L674 HydrophobicContact CD2-CD1 4.22Å; L670-L674 PolarHBondContact O-N 2.84Å; L670-L674 VanDerWaalsContact O-N 3.13Å; L674-K676 VanDerWaalsContact C-N 3.26Å; L674-K676 PolarHBondContact O-N 3.42Å; L674-N677 PolarHBondContact O-N 3.29Å; L674-F678 HydrophobicContact CD2-CD2 4.42Å; L674-F678 HydrophobicContact CD2-CE2 4.27Å; L674-F678 PolarHBondContact O-N 2.86Å; L674-F678 VanDerWaalsContact O-N 3.1Å
675M29.9Very low40.5Very low152 Ų152103.3 Ų103.375%0.74956%0.56SS**Hα-helixtrans-64.1-31.2175.8-76.4-144.8-167.500113S679M675-S679 PolarHBondContact O-N 2.9Å; M675-S679 PolarHBondContact O-OG 2.63Å
676K32.6Very low38.2Very low156 Ų156111.9 Ų111.968%0.67860%0.596SS**Hα-helixtrans-71.7-39.2176.8-77.6-174.5173.9-1770112.7K673 L674 S679K673-K676 PolarHBondContact O-N 2.69Å; L674-K676 VanDerWaalsContact C-N 3.26Å; L674-K676 PolarHBondContact O-N 3.42Å; K676-S679 PolarHBondContact O-OG 3.35Å; K676-S679 VanDerWaalsContact O-OG 3.04Å
677N33.4Very low36Very low83 Ų83116.5 Ų116.544%0.44461%0.608SS.*Hα-helixtrans-80.7-19-179.7-71.4-5.4000113.6L674L674-N677 PolarHBondContact O-N 3.29Å
678F30.7Very low33.6Very low146 Ų146120.5 Ų120.564%0.6463%0.632SS**Hα-helixtrans-81-22173.1-99.1-87.3000113.7L674 E680L674-F678 HydrophobicContact CD2-CD2 4.42Å; L674-F678 HydrophobicContact CD2-CE2 4.27Å; L674-F678 PolarHBondContact O-N 2.86Å; L674-F678 VanDerWaalsContact O-N 3.1Å; F678-E680 VanDerWaalsContact C-N 3.32Å; F678-E680 PolarHBondContact O-N 2.57Å
679S30.5Very low31.8Very low78 Ų78122.7 Ų122.755%0.54564%0.641SS.*THydrogen-bonded Turntrans-78.2-12.9-178.3270000114M675 K676M675-S679 PolarHBondContact O-N 2.9Å; M675-S679 PolarHBondContact O-OG 2.63Å; K676-S679 PolarHBondContact O-OG 3.35Å; K676-S679 VanDerWaalsContact O-OG 3.04Å
680E30Very low30.7Very low167 Ų167124.4 Ų124.478%0.7866%0.657SS**THydrogen-bonded Turntrans-98.811.3-177.6-69.4-175169.400115.1F678F678-E680 VanDerWaalsContact C-N 3.32Å; F678-E680 PolarHBondContact O-N 2.57Å
681C26.7Very low29.6Very low111 Ų111130.8 Ų130.875%0.7569%0.691SS**SBendtrans-124.617-180-90.80000115.1
682N24.6Very low29.1Very low142 Ų142134.8 Ų134.876%0.75970%0.7SS**  trans-147.249.2174.5-98.5-23.2000112.4S684N682-S684 VanDerWaalsContact C-N 3.3Å; N682-S684 PolarHBondContact O-N 2.94Å
683E25.9Very low29.3Very low195 Ų195137.3 Ų137.391%0.91171%0.707SS**  trans-89.973.5160.1-75.9-162.7160.700110.6
684S26.3Very low29Very low105 Ų105138.8 Ų138.873%0.73472%0.72SS**  trans-125.155.5151.469.80000109N682N682-S684 VanDerWaalsContact C-N 3.3Å; N682-S684 PolarHBondContact O-N 2.94Å
685K27.4Very low28.8Very low158 Ų158142 Ų14269%0.68774%0.737SS**  trans-102.594.4157.4-78.6-168.4-180179.40108.1Y687K685-Y687 VanDerWaalsContact C-N 3.25Å; K685-Y687 HydrophobicContact CB-CD2 4.03Å; K685-Y687 HydrophobicContact CB-CE2 4.07Å; K685-Y687 HydrophobicContact CD-CE2 3.79Å; K685-Y687 HydrophobicContact CG-CE2 4.5Å; K685-Y687 PolarHBondContact O-N 2.93Å
686K25.6Very low28.9Very low196 Ų196147.3 Ų147.385%0.85276%0.76SS**  trans-55.795154.2-78.5-178.9174-179.70107.7
687Y26Very low28.7Very low188 Ų188146.9 Ų146.974%0.73776%0.764SS**  trans-95.291.6150.8-79.7-77.4000106.8K685 V689K685-Y687 VanDerWaalsContact C-N 3.25Å; K685-Y687 HydrophobicContact CB-CD2 4.03Å; K685-Y687 HydrophobicContact CB-CE2 4.07Å; K685-Y687 HydrophobicContact CD-CE2 3.79Å; K685-Y687 HydrophobicContact CG-CE2 4.5Å; K685-Y687 PolarHBondContact O-N 2.93Å; Y687-V689 PolarHBondContact O-N 3.49Å
688T24.9Very low28.4Very low125 Ų125150.2 Ų150.277%0.76778%0.781SS**  trans-79.9102.2160.839.50000108
689V26.4Very low28.3Very low141 Ų141150.4 Ų150.486%0.85579%0.789SS**  trans-150.3131.7150.8-175.50000109.1Y687Y687-V689 PolarHBondContact O-N 3.49Å
690A29.5Very low28.2Very low81 Ų81154.7 Ų154.767%0.66980%0.803SS**  trans82.682.5165.200000118.4H692A690-H692 PolarHBondContact O-N 3.36Å
691D26.8Very low28.1Very low157 Ų157153.9 Ų153.984%0.8480%0.804SS**  trans-60.3113.3140.7-84.6-39.6000109.2
692H31.8Very low28.1Very low172 Ų172156.8 Ų156.880%0.79681%0.808SS**  trans-121.990.8152.9-93.4-55.4000107.3A690A690-H692 PolarHBondContact O-N 3.36Å
693N33.1Very low28.4Very low152 Ų152157.9 Ų157.981%0.81381%0.811SS**  trans-90.9113.4155.2-87.2-20.6000107.9
694N29.6Very low28.6Very low137 Ų137155 Ų15573%0.73380%0.804SS**  trans-71155.3152.8-86.7-19.3000109.4
695D32.4Very low28.8Very low139 Ų139159.2 Ų159.274%0.74381%0.81SS**  trans79.977.9160.3-52.7-26.1000117.7
696H31.8Very low28.9Very low264 Ų264159.3 Ų159.3100%1.22282%0.821SS**  177.10108-93.9-51.6000113.4

Retrieved 696 of 696 residues in 275.9 ms (Link to these results)

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