A0A096N2D3_PAPAN Loading...

Mitogen-activated protein kinase 4

AlphaFold DB , UniProt , Accession A0A096N2D3, Species PAPAN (Papio anubis, Olive baboon), Gene MAPK4, Length 587 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
1M43.6Very low58.8Low224 Ų22496 Ų96100%1.10353%0.531SS*.  0-34.80-80.1179.417400112.3E3 K4M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.5Å; M1-K4 PolarHBondContact O-N 3.49Å
2A40.6Very low60.4Low64 Ų6497.5 Ų97.553%0.52952%0.524SS..Hα-helixtrans-53.6-40.2174.400000114.8K4 G5A2-K4 VanDerWaalsContact C-N 3.28Å; A2-K4 PolarHBondContact O-N 3.45Å; A2-G5 PolarHBondContact O-N 3.33Å
3E43.7Very low62.1Low170 Ų17092.9 Ų92.979%0.79451%0.514SS*.Hα-helixtrans-64.7-24.8-179.4-69.7-178.4162.800114.6M1 C7M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.5Å; E3-C7 PolarHBondContact O-SG 3.3Å
4K50Low63.8Low174 Ų17487.5 Ų87.576%0.75748%0.482SS*.Hα-helixtrans-80.1-28.4178.9-88.5-175.1176.2-179.80112.9M1 A2M1-K4 PolarHBondContact O-N 3.49Å; A2-K4 VanDerWaalsContact C-N 3.28Å; A2-K4 PolarHBondContact O-N 3.45Å
5G50Low65.4Low11 Ų1186.1 Ų86.111%0.11347%0.473CS..Hα-helixtrans-71.6-45.6-179.600000112.4A2 C7 I8A2-G5 PolarHBondContact O-N 3.33Å; G5-C7 PolarHBondContact O-N 3.36Å; G5-I8 PolarHBondContact O-N 3.4Å; G5-I8 VanDerWaalsContact O-N 3.14Å
6D57.5Low66.6Low77 Ų7781.1 Ų81.141%0.41245%0.445SS..Hα-helixtrans-66.3-26.6177.5-75.4-14.4000113I8 S10D6-I8 VanDerWaalsContact C-N 3.33Å; D6-I8 PolarHBondContact O-N 3.24Å; D6-S10 WeakPolarHBondContact O-CB 3.29Å; D6-S10 PolarHBondContact O-N 3.11Å; D6-S10 VanDerWaalsContact O-N 3.09Å; D6-S10 PolarHBondContact O-OG 3.27Å
7C63.5Low67.6Low75 Ų7578.8 Ų78.851%0.50745%0.445SS..Hα-helixtrans-63-37.6173.4-74.60000112E3 G5 S10 V11E3-C7 PolarHBondContact O-SG 3.3Å; G5-C7 PolarHBondContact O-N 3.36Å; C7-S10 PolarHBondContact O-N 3.31Å; C7-V11 WeakPolarHBondContact O-CB 3.39Å; C7-V11 WeakPolarHBondContact O-CG2 3.23Å; C7-V11 PolarHBondContact O-N 2.72Å
8I73.1Confident68.6Low57 Ų5778.4 Ų78.429%0.29246%0.461SS..Hα-helixtrans-67.4-47.8180-65.4175.7000110.2G5 D6 S10 V11 Y12 L35G5-I8 PolarHBondContact O-N 3.4Å; G5-I8 VanDerWaalsContact O-N 3.14Å; D6-I8 VanDerWaalsContact C-N 3.33Å; D6-I8 PolarHBondContact O-N 3.24Å; I8-S10 VanDerWaalsContact C-N 3.28Å; I8-S10 PolarHBondContact O-N 3.16Å; I8-V11 PolarHBondContact O-N 2.89Å; I8-Y12 HydrophobicContact CG2-CD2 3.94Å; I8-Y12 HydrophobicContact CG2-CE2 4.11Å; I8-Y12 VanDerWaalsContact O-CD2 3.29Å; I8-Y12 WeakPolarHBondContact O-CD2 3.48Å; I8-Y12 PolarHBondContact O-N 3.39Å; I8-Y12 VanDerWaalsContact O-N 3.12Å; I8-L35 HydrophobicContact CG2-CD2 4.22Å
9A73.4Confident69.8Low5 Ų577.1 Ų77.14%0.04145%0.447CS..Hα-helixtrans-55.7-46.5176.300000111.3V11 Y12 G13 Y14 F23 L35A9-V11 PolarHBondContact O-N 2.96Å; A9-Y12 CarbonylContact O-C 3.59Å; A9-Y12 PolarHBondContact O-N 3.35Å; A9-G13 PolarHBondContact O-N 2.86Å; A9-Y14 PolarHBondContact O-N 3.25Å; A9-F23 HydrophobicContact CB-CB 4.17Å; A9-F23 HydrophobicContact CB-CD1 4.26Å; A9-F23 HydrophobicContact CB-CD2 3.55Å; A9-F23 HydrophobicContact CB-CE2 3.86Å; A9-F23 HydrophobicContact CB-CG 3.74Å; A9-F23 HydrophobicContact CB-CZ 4.34Å; A9-L35 HydrophobicContact CB-CD1 4.44Å
10S74.9Confident70.9Confident88 Ų8873.3 Ų73.362%0.61543%0.426SS*.Hα-helixtrans-62.6-42178.4-57.30000112.8D6 C7 I8 Y12 G13D6-S10 WeakPolarHBondContact O-CB 3.29Å; D6-S10 PolarHBondContact O-N 3.11Å; D6-S10 VanDerWaalsContact O-N 3.09Å; D6-S10 PolarHBondContact O-OG 3.27Å; C7-S10 PolarHBondContact O-N 3.31Å; I8-S10 VanDerWaalsContact C-N 3.28Å; I8-S10 PolarHBondContact O-N 3.16Å; S10-Y12 VanDerWaalsContact C-N 3.32Å; S10-Y12 PolarHBondContact O-N 3Å; S10-G13 PolarHBondContact O-N 3.42Å; S10-G13 VanDerWaalsContact O-N 3.09Å
11V76.6Confident71.9Confident111 Ų11171.9 Ų71.967%0.67342%0.418SS*.Hα-helixtrans-62.2-37.9178.4166.20000112C7 I8 A9 G13C7-V11 WeakPolarHBondContact O-CB 3.39Å; C7-V11 WeakPolarHBondContact O-CG2 3.23Å; C7-V11 PolarHBondContact O-N 2.72Å; I8-V11 PolarHBondContact O-N 2.89Å; A9-V11 PolarHBondContact O-N 2.96Å; V11-G13 VanDerWaalsContact C-N 3.31Å
12Y78.5Confident74.1Confident114 Ų11465.2 Ų65.245%0.44739%0.387SS..THydrogen-bonded Turntrans-92.99.6177.3-66.5-80.4000113.1I8 A9 S10 Y14 L33 K50I8-Y12 HydrophobicContact CG2-CD2 3.94Å; I8-Y12 HydrophobicContact CG2-CE2 4.11Å; I8-Y12 VanDerWaalsContact O-CD2 3.29Å; I8-Y12 WeakPolarHBondContact O-CD2 3.48Å; I8-Y12 PolarHBondContact O-N 3.39Å; I8-Y12 VanDerWaalsContact O-N 3.12Å; A9-Y12 CarbonylContact O-C 3.59Å; A9-Y12 PolarHBondContact O-N 3.35Å; S10-Y12 VanDerWaalsContact C-N 3.32Å; S10-Y12 PolarHBondContact O-N 3Å; Y12-Y14 VanDerWaalsContact C-N 3.33Å; Y12-Y14 PolarHBondContact O-N 3.06Å; Y12-L33 HydrophobicContact CD1-CB 4.47Å; Y12-L33 HydrophobicContact CD1-CD2 3.71Å; Y12-L33 HydrophobicContact CD2-CD2 3.4Å; Y12-L33 HydrophobicContact CE1-CD2 3.9Å; Y12-L33 HydrophobicContact CE2-CD2 3.62Å; Y12-L33 HydrophobicContact CG-CD2 3.46Å; Y12-L33 VanDerWaalsContact CG-CD2 3.46Å; Y12-K50 PolarHBondContact O-NZ 3.05Å
13G82.6Confident76.5Confident38 Ų3862.6 Ų62.639%0.39236%0.363SS..THydrogen-bonded Turntrans64.930.7175.600000114.2A9 S10 V11 K50 Y102A9-G13 PolarHBondContact O-N 2.86Å; S10-G13 PolarHBondContact O-N 3.42Å; S10-G13 VanDerWaalsContact O-N 3.09Å; V11-G13 VanDerWaalsContact C-N 3.31Å; G13-K50 VanDerWaalsContact C-NZ 3.3Å; G13-K50 PolarHBondContact O-NZ 2.68Å; G13-Y102 PolarHBondContact O-OH 2.98Å
14Y86Confident78.8Confident17 Ų1759.9 Ų59.97%0.06735%0.351CS..  trans-74.8118.8168.4-84.6-110.5000109.1A9 Y12 L16 L33 L35 V48 K50 Y102A9-Y14 PolarHBondContact O-N 3.25Å; Y12-Y14 VanDerWaalsContact C-N 3.33Å; Y12-Y14 PolarHBondContact O-N 3.06Å; Y14-L16 HydrophobicContact CD1-CD1 4.24Å; Y14-L33 PolarHBondContact OH-O 3.4Å; Y14-L35 HydrophobicContact CD1-CD1 3.89Å; Y14-L35 HydrophobicContact CD2-CD1 3.63Å; Y14-L35 HydrophobicContact CD2-CG 4.43Å; Y14-L35 HydrophobicContact CE1-CB 4.49Å; Y14-L35 HydrophobicContact CE1-CD1 3.98Å; Y14-L35 HydrophobicContact CE1-CG 4.24Å; Y14-L35 HydrophobicContact CE2-CD1 3.73Å; Y14-L35 HydrophobicContact CE2-CG 4.03Å; Y14-L35 HydrophobicContact CG-CD1 3.71Å; Y14-V48 HydrophobicContact CD1-CG1 4.09Å; Y14-V48 HydrophobicContact CE1-CB 4.19Å; Y14-V48 HydrophobicContact CE1-CG1 3.66Å; Y14-V48 PolarHBondContact OH-O 3.16Å; Y14-K50 HydrophobicContact CD2-CD 4.02Å; Y14-K50 HydrophobicContact CE1-CB 3.79Å; Y14-K50 HydrophobicContact CE2-CB 3.8Å; Y14-K50 HydrophobicContact CE2-CD 3.93Å; Y14-K50 VanDerWaalsContact OH-CB 3.32Å; Y14-K50 WeakPolarHBondContact OH-CB 3.29Å; Y14-K50 PolarHBondContact OH-N 3.06Å; Y14-K50 VanDerWaalsContact OH-N 3.09Å; Y14-Y102 AromaticContact CD1-CD1 3.78Å; Y14-Y102 HydrophobicContact CD1-CD1 3.78Å; Y14-Y102 AromaticContact CD1-CE1 3.58Å; Y14-Y102 HydrophobicContact CD1-CE1 3.58Å; Y14-Y102 AromaticContact CE1-CD1 3.93Å; Y14-Y102 HydrophobicContact CE1-CD1 3.93Å; Y14-Y102 HydrophobicContact CE1-CE1 4.06Å; Y14-Y102 AromaticContact CG-CE1 3.97Å; Y14-Y102 HydrophobicContact CG-CE1 3.97Å
15D87.1Confident80.7Confident66 Ų6655.3 Ų55.335%0.35334%0.339SS..  trans-121.686.8178.7178.517.3000108.9P86 K87 Y102D15-P86 CarbonylContact O-C 3.56Å; D15-K87 PolarHBondContact O-N 2.88Å; D15-K87 VanDerWaalsContact OD2-CG 3.26Å; D15-K87 WeakPolarHBondContact OD2-CG 3.31Å; D15-K87 PolarHBondContact OD2-N 3Å; D15-Y102 PolarHBondContact N-OH 2.99Å; D15-Y102 WeakPolarHBondContact O-CE2 3.15Å
16L84.9Confident82.4Confident6 Ų656.9 Ų56.93%0.03134%0.344CS..  trans-117.912.4-176.6-81.4173.7000113.6Y14 F20 F23 V48 L84 Y102Y14-L16 HydrophobicContact CD1-CD1 4.24Å; L16-F20 HydrophobicContact CB-CD2 3.88Å; L16-F20 HydrophobicContact CD1-CD2 4.26Å; L16-F20 HydrophobicContact CD2-CE2 4.45Å; L16-F20 HydrophobicContact CG-CD2 4.47Å; L16-F23 HydrophobicContact CD1-CE1 4.48Å; L16-F23 HydrophobicContact CD1-CZ 4.48Å; L16-V48 HydrophobicContact CD1-CG1 3.41Å; L16-V48 VanDerWaalsContact CD1-CG1 3.41Å; L16-V48 HydrophobicContact CD1-CG2 4.5Å; L16-L84 HydrophobicContact CD2-CB 3.94Å; L16-L84 HydrophobicContact CD2-CD1 3.89Å; L16-Y102 HydrophobicContact CD1-CD1 3.94Å; L16-Y102 HydrophobicContact CD1-CE1 4.48Å; L16-Y102 HydrophobicContact CD1-CG 4.04Å; L16-Y102 HydrophobicContact CD2-CD1 4.23Å; L16-Y102 HydrophobicContact CD2-CD2 3.5Å; L16-Y102 VanDerWaalsContact CD2-CD2 3.5Å; L16-Y102 HydrophobicContact CD2-CE2 4.14Å; L16-Y102 HydrophobicContact CD2-CG 3.56Å; L16-Y102 HydrophobicContact CG-CD1 4.01Å; L16-Y102 HydrophobicContact CG-CD2 3.99Å; L16-Y102 HydrophobicContact CG-CE1 4.28Å; L16-Y102 HydrophobicContact CG-CE2 4.27Å; L16-Y102 HydrophobicContact CG-CG 3.86Å
17G84.1Confident83.4Confident42 Ų4254.4 Ų54.443%0.43334%0.337SS..G310 helixtrans64.2-166.2-175.400000113.2R19G17-R19 VanDerWaalsContact C-N 3.31Å; G17-R19 PolarHBondContact O-N 3Å
18G85.7Confident83.9Confident72 Ų7258.3 Ų58.374%0.74235%0.345SS*.G310 helixtrans-83.55-175.500000115.8
19R90.7Very high83.5Confident53 Ų5357 Ų5720%0.235%0.346CS..G310 helixtrans-74.3-40.2-178174178.5173.6-166-3.8112.2G17 D39 S40 R41 E82G17-R19 VanDerWaalsContact C-N 3.31Å; G17-R19 PolarHBondContact O-N 3Å; R19-D39 WeakPolarHBondContact CG-OD1 3.46Å; R19-D39 IonicContact CZ-OD1 2.78Å; R19-D39 IonicContact CZ-OD2 2.74Å; R19-D39 IonicContact NE-OD1 3.76Å; R19-D39 PolarHBondContact NE-OD1 2.7Å; R19-D39 IonicContact NE-OD2 2.64Å; R19-D39 IonicContact NH2-OD1 3.24Å; R19-D39 PolarHBondContact NH2-OD1 3.32Å; R19-D39 IonicContact NH2-OD2 3.15Å; R19-D39 PolarHBondContact NH2-OD2 3.23Å; R19-S40 WeakPolarHBondContact O-CB 3.33Å; R19-S40 PolarHBondContact O-N 3.35Å; R19-S40 PolarHBondContact O-OG 3.19Å; R19-R41 HydrophobicContact CG-CB 4.29Å; R19-E82 IonicContact CZ-OE1 2.72Å; R19-E82 IonicContact CZ-OE2 3.02Å; R19-E82 IonicContact NH1-OE1 2.83Å; R19-E82 PolarHBondContact NH1-OE1 3.28Å; R19-E82 IonicContact NH1-OE2 3.49Å; R19-E82 PolarHBondContact NH1-OE2 3.29Å; R19-E82 IonicContact NH2-OE1 2.76Å; R19-E82 PolarHBondContact NH2-OE1 2.94Å; R19-E82 IonicContact NH2-OE2 3.59Å
20F92.3Very high83Confident2 Ų262 Ų621%0.00938%0.375CS..EExtended strand (participates in β ladder)trans-100.9126.1-177.5-61-86000108L16 F23 A37 M38 D39 V46 L84 V104L16-F20 HydrophobicContact CB-CD2 3.88Å; L16-F20 HydrophobicContact CD1-CD2 4.26Å; L16-F20 HydrophobicContact CD2-CE2 4.45Å; L16-F20 HydrophobicContact CG-CD2 4.47Å; F20-F23 HydrophobicContact CB-CE1 4.17Å; F20-F23 HydrophobicContact CB-CE2 4.15Å; F20-F23 HydrophobicContact CB-CZ 3.51Å; F20-F23 WeakPolarHBondContact O-CE2 3.15Å; F20-A37 HydrophobicContact CB-CB 4.05Å; F20-A37 HydrophobicContact CD1-CB 4.36Å; F20-M38 WeakPolarHBondContact CA-O 3.28Å; F20-D39 HydrophobicContact CD1-CB 4.12Å; F20-D39 HydrophobicContact CE1-CB 3.91Å; F20-V46 HydrophobicContact CD1-CG2 3.96Å; F20-V46 HydrophobicContact CE1-CG2 4Å; F20-L84 HydrophobicContact CE2-CD1 3.41Å; F20-L84 VanDerWaalsContact CE2-CD1 3.41Å; F20-L84 HydrophobicContact CZ-CD1 3.64Å; F20-V104 HydrophobicContact CE1-CG1 3.91Å; F20-V104 HydrophobicContact CE1-CG2 4.12Å; F20-V104 HydrophobicContact CZ-CG1 4.27Å; F20-V104 HydrophobicContact CZ-CG2 3.84Å
21V91.3Very high82.4Confident43 Ų4360.7 Ų60.726%0.26136%0.362SS..EExtended strand (participates in β ladder)trans-130.3172.1-176.1-59.70000110.5F23 A37 M38V21-F23 PolarHBondContact O-N 3.16Å; V21-A37 WeakPolarHBondContact O-CA 3.5Å; V21-M38 HydrophobicContact CG2-CB 3.92Å; V21-M38 HydrophobicContact CG2-CG 4.28Å; V21-M38 PolarHBondContact N-O 3.12Å; V21-M38 PolarHBondContact O-N 2.95Å
22D90.6Very high82.3Confident84 Ų8456.9 Ų56.945%0.44935%0.345SS..EExtended strand (participates in β ladder)trans56.646.4176.2-61.4-39.1000114Q24D22-Q24 PolarHBondContact O-N 3.19Å
23F91.1Very high82.6Confident9 Ų952.1 Ų52.14%0.03933%0.327CS..EExtended strand (participates in β ladder)trans-62.2131-178.8-70.4-86.6000112.9A9 L16 F20 V21 L35 S36 A37A9-F23 HydrophobicContact CB-CB 4.17Å; A9-F23 HydrophobicContact CB-CD1 4.26Å; A9-F23 HydrophobicContact CB-CD2 3.55Å; A9-F23 HydrophobicContact CB-CE2 3.86Å; A9-F23 HydrophobicContact CB-CG 3.74Å; A9-F23 HydrophobicContact CB-CZ 4.34Å; L16-F23 HydrophobicContact CD1-CE1 4.48Å; L16-F23 HydrophobicContact CD1-CZ 4.48Å; F20-F23 HydrophobicContact CB-CE1 4.17Å; F20-F23 HydrophobicContact CB-CE2 4.15Å; F20-F23 HydrophobicContact CB-CZ 3.51Å; F20-F23 WeakPolarHBondContact O-CE2 3.15Å; V21-F23 PolarHBondContact O-N 3.16Å; F23-L35 HydrophobicContact CB-CD1 4.3Å; F23-L35 HydrophobicContact CD1-CB 3.96Å; F23-L35 HydrophobicContact CD1-CD1 3.76Å; F23-L35 HydrophobicContact CE1-CD1 4.46Å; F23-L35 HydrophobicContact CG-CD1 4.32Å; F23-S36 VanDerWaalsContact CA-O 3.25Å; F23-S36 WeakPolarHBondContact CA-O 3.31Å; F23-A37 HydrophobicContact CD1-CB 3.72Å; F23-A37 HydrophobicContact CE1-CB 3.64Å; F23-A37 HydrophobicContact CG-CB 4.37Å; F23-A37 HydrophobicContact CZ-CB 4.23Å
24Q90.4Very high82.9Confident114 Ų11451.4 Ų51.453%0.53332%0.315SS..EExtended strand (participates in β ladder)trans-133.9139.7173.3-60-176.5-10.100111.4D22 L26 L35 S36D22-Q24 PolarHBondContact O-N 3.19Å; Q24-L26 PolarHBondContact O-N 2.82Å; Q24-L35 CarbonylContact O-C 3.54Å; Q24-L35 WeakPolarHBondContact O-CA 3.5Å; Q24-S36 PolarHBondContact N-O 2.97Å; Q24-S36 PolarHBondContact O-N 3.29Å; Q24-S36 PolarHBondContact O-OG 3.34Å
25P89.6Confident83.3Confident78 Ų7850.6 Ų50.651%0.50631%0.312SS..EExtended strand (participates in β ladder)trans-65.3130.7177.428-33.9000111.4L33 L35P25-L33 HydrophobicContact CB-CD1 3.98Å; P25-L35 HydrophobicContact CB-CD2 4.33Å
26L85.8Confident83.6Confident44 Ų4447.5 Ų47.523%0.2330%0.296CS..EExtended strand (participates in β ladder)trans-102.1-37.3174.4-68.8178.2000113Q24 V34 A47 Y107 R114Q24-L26 PolarHBondContact O-N 2.82Å; L26-V34 HydrophobicContact CD1-CG1 4.39Å; L26-V34 PolarHBondContact N-O 2.68Å; L26-A47 HydrophobicContact CD1-CB 3.86Å; L26-Y107 HydrophobicContact CD1-CD2 4.11Å; L26-Y107 HydrophobicContact CD1-CE2 4.1Å; L26-Y107 HydrophobicContact CD2-CD2 4.5Å; L26-Y107 HydrophobicContact CD2-CE2 3.69Å; L26-R114 PolarHBondContact O-NH2 3.44Å
27G79.3Confident84.1Confident24 Ų2447.4 Ų47.425%0.24730%0.295CS..EExtended strand (participates in β ladder)trans170.1174-178.100000112V34G27-V34 PolarHBondContact O-N 3.06Å
28F73.4Confident84.7Confident158 Ų15848.5 Ų48.569%0.69329%0.29SS*.EExtended strand (participates in β ladder)trans-104.8118.5175.1-68.8-90.9000109.2L33F28-L33 HydrophobicContact CD1-CB 4.09Å; F28-L33 HydrophobicContact CD1-CD1 4.22Å; F28-L33 HydrophobicContact CD2-CD1 4.38Å; F28-L33 HydrophobicContact CE1-CB 3.94Å; F28-L33 HydrophobicContact CE1-CD1 3.91Å; F28-L33 HydrophobicContact CE1-CG 4.47Å; F28-L33 HydrophobicContact CE2-CD1 4.08Å; F28-L33 HydrophobicContact CG-CD1 4.45Å; F28-L33 HydrophobicContact CZ-CD1 3.83Å
29G65.6Low85.1Confident29 Ų2945.1 Ų45.130%0.29926%0.255SS..EExtended strand (participates in β ladder)trans-94.3179.6168.100000111.6N31 G32G29-N31 PolarHBondContact O-N 3.2Å; G29-G32 PolarHBondContact N-O 3.35Å; G29-G32 PolarHBondContact O-N 3.24Å
30V61.6Low85.2Confident109 Ų10945.6 Ų45.666%0.66127%0.267SS*.THydrogen-bonded Turntrans-58.4-32.5177.2-177.30000112G32V30-G32 VanDerWaalsContact C-N 3.34Å
31N63.8Low85.2Confident61 Ų6154.9 Ų54.933%0.32630%0.301SS..THydrogen-bonded Turntrans-90.65.1179.7-60.7-22000113.3G29 I51G29-N31 PolarHBondContact O-N 3.2Å; N31-I51 HydrophobicContact CB-CG1 4.4Å
32G74.3Confident85.2Confident31 Ų3154.9 Ų54.932%0.3231%0.306SS..EExtended strand (participates in β ladder)trans113.4-165.7178.300000114.5G29 V30 V34G29-G32 PolarHBondContact N-O 3.35Å; G29-G32 PolarHBondContact O-N 3.24Å; V30-G32 VanDerWaalsContact C-N 3.34Å; G32-V34 PolarHBondContact O-N 2.94Å
33L84Confident85.3Confident14 Ų1456 Ų567%0.07332%0.319CS..EExtended strand (participates in β ladder)trans-61.4130.8-178.6-178.769000110.9Y12 Y14 P25 F28 L35Y12-L33 HydrophobicContact CD1-CB 4.47Å; Y12-L33 HydrophobicContact CD1-CD2 3.71Å; Y12-L33 HydrophobicContact CD2-CD2 3.4Å; Y12-L33 HydrophobicContact CE1-CD2 3.9Å; Y12-L33 HydrophobicContact CE2-CD2 3.62Å; Y12-L33 HydrophobicContact CG-CD2 3.46Å; Y12-L33 VanDerWaalsContact CG-CD2 3.46Å; Y14-L33 PolarHBondContact OH-O 3.4Å; P25-L33 HydrophobicContact CB-CD1 3.98Å; F28-L33 HydrophobicContact CD1-CB 4.09Å; F28-L33 HydrophobicContact CD1-CD1 4.22Å; F28-L33 HydrophobicContact CD2-CD1 4.38Å; F28-L33 HydrophobicContact CE1-CB 3.94Å; F28-L33 HydrophobicContact CE1-CD1 3.91Å; F28-L33 HydrophobicContact CE1-CG 4.47Å; F28-L33 HydrophobicContact CE2-CD1 4.08Å; F28-L33 HydrophobicContact CG-CD1 4.45Å; F28-L33 HydrophobicContact CZ-CD1 3.83Å; L33-L35 HydrophobicContact CD2-CD2 3.55Å; L33-L35 HydrophobicContact CD2-CG 4.38Å; L33-L35 HydrophobicContact CG-CD2 3.84Å; L33-L35 HydrophobicContact CG-CG 4.46Å
34V90.1Very high85.5Confident23 Ų2359.8 Ų59.814%0.13933%0.333CS..EExtended strand (participates in β ladder)trans-99.8133.6169.5-177.50000108.4L26 G27 G32 A47 K49L26-V34 HydrophobicContact CD1-CG1 4.39Å; L26-V34 PolarHBondContact N-O 2.68Å; G27-V34 PolarHBondContact O-N 3.06Å; G32-V34 PolarHBondContact O-N 2.94Å; V34-A47 HydrophobicContact CG1-CB 4.49Å; V34-K49 HydrophobicContact CG2-CB 4.4Å; V34-K49 HydrophobicContact CG2-CG 4.25Å
35L92.8Very high85.7Confident0 Ų058.6 Ų58.60%033%0.326CS..EExtended strand (participates in β ladder)trans-111.6146.4179.6-60.2179000110.4I8 A9 Y14 F23 Q24 P25 L33 A47 V48I8-L35 HydrophobicContact CG2-CD2 4.22Å; A9-L35 HydrophobicContact CB-CD1 4.44Å; Y14-L35 HydrophobicContact CD1-CD1 3.89Å; Y14-L35 HydrophobicContact CD2-CD1 3.63Å; Y14-L35 HydrophobicContact CD2-CG 4.43Å; Y14-L35 HydrophobicContact CE1-CB 4.49Å; Y14-L35 HydrophobicContact CE1-CD1 3.98Å; Y14-L35 HydrophobicContact CE1-CG 4.24Å; Y14-L35 HydrophobicContact CE2-CD1 3.73Å; Y14-L35 HydrophobicContact CE2-CG 4.03Å; Y14-L35 HydrophobicContact CG-CD1 3.71Å; F23-L35 HydrophobicContact CB-CD1 4.3Å; F23-L35 HydrophobicContact CD1-CB 3.96Å; F23-L35 HydrophobicContact CD1-CD1 3.76Å; F23-L35 HydrophobicContact CE1-CD1 4.46Å; F23-L35 HydrophobicContact CG-CD1 4.32Å; Q24-L35 CarbonylContact O-C 3.54Å; Q24-L35 WeakPolarHBondContact O-CA 3.5Å; P25-L35 HydrophobicContact CB-CD2 4.33Å; L33-L35 HydrophobicContact CD2-CD2 3.55Å; L33-L35 HydrophobicContact CD2-CG 4.38Å; L33-L35 HydrophobicContact CG-CD2 3.84Å; L33-L35 HydrophobicContact CG-CG 4.46Å; L35-A47 CarbonylContact O-C 3.6Å; L35-A47 WeakPolarHBondContact O-CA 3.41Å; L35-V48 PolarHBondContact N-O 2.65Å; L35-V48 PolarHBondContact O-N 3.13Å
36S94.7Very high86.1Confident2 Ų254.9 Ų54.91%0.01430%0.302CS..EExtended strand (participates in β ladder)trans-86.4151.4157.256.50000109.3F23 Q24 V46F23-S36 VanDerWaalsContact CA-O 3.25Å; F23-S36 WeakPolarHBondContact CA-O 3.31Å; Q24-S36 PolarHBondContact N-O 2.97Å; Q24-S36 PolarHBondContact O-N 3.29Å; Q24-S36 PolarHBondContact O-OG 3.34Å; S36-V46 CarbonylContact C-O 3.52Å; S36-V46 WeakPolarHBondContact CA-O 3.33Å
37A95.4Very high86.5Confident3 Ų353 Ų533%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-147.816017300000110.4F20 V21 F23 K45 V46 V48F20-A37 HydrophobicContact CB-CB 4.05Å; F20-A37 HydrophobicContact CD1-CB 4.36Å; V21-A37 WeakPolarHBondContact O-CA 3.5Å; F23-A37 HydrophobicContact CD1-CB 3.72Å; F23-A37 HydrophobicContact CE1-CB 3.64Å; F23-A37 HydrophobicContact CG-CB 4.37Å; F23-A37 HydrophobicContact CZ-CB 4.23Å; A37-K45 WeakPolarHBondContact O-CA 3.27Å; A37-V46 HydrophobicContact CB-CG2 4.21Å; A37-V46 PolarHBondContact N-O 3.32Å; A37-V46 WeakPolarHBondContact O-CG2 3.45Å; A37-V46 PolarHBondContact O-N 3.08Å; A37-V48 HydrophobicContact CB-CG2 4.19Å
38M95.7Very high87.2Confident66 Ų6651.8 Ų51.833%0.32528%0.281SS..EExtended strand (participates in β ladder)trans-89.9116.3166.2-179.188.3-70.100108.7F20 V21 S40 R44 K45F20-M38 WeakPolarHBondContact CA-O 3.28Å; V21-M38 HydrophobicContact CG2-CB 3.92Å; V21-M38 HydrophobicContact CG2-CG 4.28Å; V21-M38 PolarHBondContact N-O 3.12Å; V21-M38 PolarHBondContact O-N 2.95Å; M38-S40 PolarHBondContact O-N 3Å; M38-R44 VanDerWaalsContact CE-CA 3.45Å; M38-R44 WeakPolarHBondContact CE-O 3.06Å; M38-K45 HydrophobicContact CE-CB 4.2Å
39D95.4Very high88.1Confident0 Ų044.9 Ų44.90%025%0.25CS..EExtended strand (participates in β ladder)trans-79.1103.9170.5-179.7-1.3000108.9R19 F20 R41 A42 C43 R44 V46R19-D39 WeakPolarHBondContact CG-OD1 3.46Å; R19-D39 IonicContact CZ-OD1 2.78Å; R19-D39 IonicContact CZ-OD2 2.74Å; R19-D39 IonicContact NE-OD1 3.76Å; R19-D39 PolarHBondContact NE-OD1 2.7Å; R19-D39 IonicContact NE-OD2 2.64Å; R19-D39 IonicContact NH2-OD1 3.24Å; R19-D39 PolarHBondContact NH2-OD1 3.32Å; R19-D39 IonicContact NH2-OD2 3.15Å; R19-D39 PolarHBondContact NH2-OD2 3.23Å; F20-D39 HydrophobicContact CD1-CB 4.12Å; F20-D39 HydrophobicContact CE1-CB 3.91Å; D39-R41 PolarHBondContact O-N 3.48Å; D39-R41 WeakPolarHBondContact OD1-CB 3.37Å; D39-R41 PolarHBondContact OD1-N 3.13Å; D39-A42 HydrophobicContact CB-CB 4.41Å; D39-A42 PolarHBondContact O-N 3.5Å; D39-A42 PolarHBondContact OD1-N 2.99Å; D39-A42 VanDerWaalsContact OD2-CB 3.3Å; D39-A42 WeakPolarHBondContact OD2-CB 3.47Å; D39-C43 VanDerWaalsContact O-CA 3.25Å; D39-C43 WeakPolarHBondContact O-CA 3.44Å; D39-C43 PolarHBondContact O-N 3.24Å; D39-R44 PolarHBondContact N-O 3.43Å; D39-R44 PolarHBondContact O-N 3.08Å; D39-V46 HydrophobicContact CB-CG1 4.19Å; D39-V46 HydrophobicContact CB-CG2 4.4Å
40S92.6Very high89.2Confident64 Ų6445.8 Ų45.845%0.44825%0.246SC..THydrogen-bonded Turntrans-64.4-23.4-178.560.30000113.7R19 M38R19-S40 WeakPolarHBondContact O-CB 3.33Å; R19-S40 PolarHBondContact O-N 3.35Å; R19-S40 PolarHBondContact O-OG 3.19Å; M38-S40 PolarHBondContact O-N 3Å
41R91.4Very high90.3Very high196 Ų19640.7 Ų40.774%0.7422%0.215SC*.THydrogen-bonded Turntrans-79-44.1179.8-176.2-176.5178.3-171.60.2111.8R19 D39R19-R41 HydrophobicContact CG-CB 4.29Å; D39-R41 PolarHBondContact O-N 3.48Å; D39-R41 WeakPolarHBondContact OD1-CB 3.37Å; D39-R41 PolarHBondContact OD1-N 3.13Å
42A92Very high91.3Very high44 Ų4440 Ų4036%0.36422%0.218SC..THydrogen-bonded Turntrans-93.4-5.2-179.400000113.1D39 R44D39-A42 HydrophobicContact CB-CB 4.41Å; D39-A42 PolarHBondContact O-N 3.5Å; D39-A42 PolarHBondContact OD1-N 2.99Å; D39-A42 VanDerWaalsContact OD2-CB 3.3Å; D39-A42 WeakPolarHBondContact OD2-CB 3.47Å; A42-R44 VanDerWaalsContact C-N 3.29Å; A42-R44 HydrophobicContact CB-CG 3.91Å; A42-R44 PolarHBondContact O-N 2.85Å
43C93.3Very high91.6Very high106 Ų10638.9 Ų38.972%0.71621%0.205SC*.THydrogen-bonded Turntrans51.343.4-176.6-58.30000113.2D39D39-C43 VanDerWaalsContact O-CA 3.25Å; D39-C43 WeakPolarHBondContact O-CA 3.44Å; D39-C43 PolarHBondContact O-N 3.24Å
44R94.6Very high91.3Very high89 Ų8942.7 Ų42.734%0.33623%0.232SC..EExtended strand (participates in β ladder)trans-141.2148.2-177.969.3-178.4170.1-173.7-5113.1M38 D39 A42 V46 Y81M38-R44 VanDerWaalsContact CE-CA 3.45Å; M38-R44 WeakPolarHBondContact CE-O 3.06Å; D39-R44 PolarHBondContact N-O 3.43Å; D39-R44 PolarHBondContact O-N 3.08Å; A42-R44 VanDerWaalsContact C-N 3.29Å; A42-R44 HydrophobicContact CB-CG 3.91Å; A42-R44 PolarHBondContact O-N 2.85Å; R44-V46 HydrophobicContact CG-CG1 4.05Å; R44-Y81 VanDerWaalsContact NH2-CD1 3.34Å
45K95.6Very high90.7Very high89 Ų8945.1 Ų45.139%0.38724%0.244SC..EExtended strand (participates in β ladder)trans-74.6134.3177.5-163.7175.7-176.4-1740108.5A37 M38 Y107A37-K45 WeakPolarHBondContact O-CA 3.27Å; M38-K45 HydrophobicContact CE-CB 4.2Å; K45-Y107 HydrophobicContact CB-CD1 4.5Å; K45-Y107 HydrophobicContact CB-CG 4.42Å; K45-Y107 HydrophobicContact CD-CD1 3.84Å; K45-Y107 HydrophobicContact CD-CD2 4.2Å; K45-Y107 HydrophobicContact CD-CE1 3.83Å; K45-Y107 HydrophobicContact CD-CE2 4.22Å; K45-Y107 HydrophobicContact CD-CG 4.02Å; K45-Y107 HydrophobicContact CG-CD1 4.21Å; K45-Y107 HydrophobicContact CG-CD2 4.21Å; K45-Y107 HydrophobicContact CG-CG 3.96Å; K45-Y107 PolarHBondContact NZ-OH 3.2Å; K45-Y107 WeakPolarHBondContact O-CB 3.45Å
46V96.4Very high89.8Confident0 Ų047.3 Ų47.30%026%0.263CS..EExtended strand (participates in β ladder)trans-130.4156.3-176.9-62.80000110.4F20 S36 A37 D39 R44 V48 Y81 V104F20-V46 HydrophobicContact CD1-CG2 3.96Å; F20-V46 HydrophobicContact CE1-CG2 4Å; S36-V46 CarbonylContact C-O 3.52Å; S36-V46 WeakPolarHBondContact CA-O 3.33Å; A37-V46 HydrophobicContact CB-CG2 4.21Å; A37-V46 PolarHBondContact N-O 3.32Å; A37-V46 WeakPolarHBondContact O-CG2 3.45Å; A37-V46 PolarHBondContact O-N 3.08Å; D39-V46 HydrophobicContact CB-CG1 4.19Å; D39-V46 HydrophobicContact CB-CG2 4.4Å; R44-V46 HydrophobicContact CG-CG1 4.05Å; V46-V48 HydrophobicContact CG2-CG2 4.02Å; V46-Y81 HydrophobicContact CG1-CD2 4.02Å; V46-Y81 HydrophobicContact CG1-CE2 4.02Å; V46-V104 HydrophobicContact CB-CG1 3.85Å; V46-V104 HydrophobicContact CG1-CG1 3.98Å; V46-V104 HydrophobicContact CG2-CG1 3.95Å
47A95.6Very high88.8Confident4 Ų455.3 Ų55.33%0.03329%0.293CS..EExtended strand (participates in β ladder)trans-99.2139.1163.100000109.2L26 V34 L35 Q105L26-A47 HydrophobicContact CD1-CB 3.86Å; V34-A47 HydrophobicContact CG1-CB 4.49Å; L35-A47 CarbonylContact O-C 3.6Å; L35-A47 WeakPolarHBondContact O-CA 3.41Å; A47-Q105 HydrophobicContact CB-CG 3.81Å; A47-Q105 PolarHBondContact N-O 3.11Å; A47-Q105 PolarHBondContact O-N 3.49Å
48V94.1Very high87.9Confident0 Ų056.6 Ų56.60%030%0.301CS..EExtended strand (participates in β ladder)trans-124.1114.1-176.5-172.70000108.3Y14 L16 L35 A37 V46 Y102 I103Y14-V48 HydrophobicContact CD1-CG1 4.09Å; Y14-V48 HydrophobicContact CE1-CB 4.19Å; Y14-V48 HydrophobicContact CE1-CG1 3.66Å; Y14-V48 PolarHBondContact OH-O 3.16Å; L16-V48 HydrophobicContact CD1-CG1 3.41Å; L16-V48 VanDerWaalsContact CD1-CG1 3.41Å; L16-V48 HydrophobicContact CD1-CG2 4.5Å; L35-V48 PolarHBondContact N-O 2.65Å; L35-V48 PolarHBondContact O-N 3.13Å; A37-V48 HydrophobicContact CB-CG2 4.19Å; V46-V48 HydrophobicContact CG2-CG2 4.02Å; V48-Y102 HydrophobicContact CG1-CD1 4.26Å; V48-I103 WeakPolarHBondContact CA-O 3.34Å
49K91.1Very high87.1Confident12 Ų1254.8 Ų54.85%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-104.5113.9176.9-177.4-179.5-175.6-1740109.2V34 I51 E65 Y102 I103 D168V34-K49 HydrophobicContact CG2-CB 4.4Å; V34-K49 HydrophobicContact CG2-CG 4.25Å; K49-I51 HydrophobicContact CG-CG1 4.39Å; K49-E65 IonicContact NZ-OE1 2.92Å; K49-E65 PolarHBondContact NZ-OE1 3.07Å; K49-E65 IonicContact NZ-OE2 3.16Å; K49-Y102 WeakPolarHBondContact O-CA 3.45Å; K49-I103 HydrophobicContact CB-CB 4.37Å; K49-I103 PolarHBondContact N-O 2.94Å; K49-I103 PolarHBondContact O-N 2.79Å; K49-D168 IonicContact NZ-OD1 3.96Å; K49-D168 PolarHBondContact NZ-OD1 3.24Å
50K89.3Confident86.2Confident49 Ų4957.7 Ų57.721%0.21331%0.305CS..EExtended strand (participates in β ladder)trans-79133.8171.1-179.6177.3172.1176.30110.2Y12 G13 Y14 V100 Y102Y12-K50 PolarHBondContact O-NZ 3.05Å; G13-K50 VanDerWaalsContact C-NZ 3.3Å; G13-K50 PolarHBondContact O-NZ 2.68Å; Y14-K50 HydrophobicContact CD2-CD 4.02Å; Y14-K50 HydrophobicContact CE1-CB 3.79Å; Y14-K50 HydrophobicContact CE2-CB 3.8Å; Y14-K50 HydrophobicContact CE2-CD 3.93Å; Y14-K50 VanDerWaalsContact OH-CB 3.32Å; Y14-K50 WeakPolarHBondContact OH-CB 3.29Å; Y14-K50 PolarHBondContact OH-N 3.06Å; Y14-K50 VanDerWaalsContact OH-N 3.09Å; K50-V100 HydrophobicContact CD-CG1 4.2Å; K50-V100 HydrophobicContact CG-CG1 3.65Å; K50-Y102 HydrophobicContact CB-CD1 3.93Å; K50-Y102 HydrophobicContact CB-CE1 3.91Å; K50-Y102 HydrophobicContact CD-CE1 3.88Å; K50-Y102 HydrophobicContact CG-CD1 4.14Å; K50-Y102 HydrophobicContact CG-CE1 3.73Å
51I85.6Confident85.5Confident1 Ų157.1 Ų57.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-123.6125.7175.7-57.5-172000108.9N31 K49 L53 A62 V100 A101 I103N31-I51 HydrophobicContact CB-CG1 4.4Å; K49-I51 HydrophobicContact CG-CG1 4.39Å; I51-L53 HydrophobicContact CG2-CD2 4.4Å; I51-A62 HydrophobicContact CG2-CB 3.61Å; I51-V100 WeakPolarHBondContact O-CA 3.39Å; I51-A101 PolarHBondContact N-O 3.38Å; I51-A101 PolarHBondContact O-N 2.82Å; I51-I103 HydrophobicContact CD1-CD1 3.31Å; I51-I103 HydrophobicContact CD1-CG1 4.02Å; I51-I103 HydrophobicContact CG1-CD1 4.3Å
52A82.9Confident85Confident47 Ų4747.9 Ų47.939%0.38826%0.261SS..EExtended strand (participates in β ladder)trans-84.4127.9174.800000110.9S58A52-S58 PolarHBondContact O-OG 3.36Å
53L81.2Confident84.4Confident8 Ų847.1 Ų47.14%0.04225%0.251CS..  trans-103.155.3177.6-54.9173.6000109.2I51 M59 A62 F98 S99 A101I51-L53 HydrophobicContact CG2-CD2 4.4Å; L53-M59 HydrophobicContact CB-CE 4.21Å; L53-M59 HydrophobicContact CD2-CB 4.37Å; L53-M59 HydrophobicContact CD2-CG 4.32Å; L53-A62 HydrophobicContact CD2-CB 3.34Å; L53-F98 VanDerWaalsContact CD1-O 3.3Å; L53-F98 WeakPolarHBondContact CD1-O 3.43Å; L53-S99 PolarHBondContact N-O 3.36Å; L53-A101 HydrophobicContact CD1-CB 4.19Å
54S78.5Confident83.9Confident93 Ų9342.5 Ų42.565%0.6522%0.218SC*.  trans-73.5-37-171.744.20000114.4
55D76.9Confident83.5Confident74 Ų7438.5 Ų38.540%0.39620%0.203SC..SBendtrans-144162.5-171.665.491000110.7R57 S58 M59D55-R57 PolarHBondContact O-N 2.89Å; D55-R57 VanDerWaalsContact O-N 3.16Å; D55-R57 WeakPolarHBondContact OD1-CA 3.33Å; D55-R57 WeakPolarHBondContact OD1-CB 3.25Å; D55-R57 PolarHBondContact OD1-N 3.3Å; D55-S58 PolarHBondContact O-N 2.95Å; D55-S58 PolarHBondContact OD1-N 3.41Å; D55-S58 VanDerWaalsContact OD2-CB 3.24Å; D55-S58 WeakPolarHBondContact OD2-CB 3.42Å; D55-M59 VanDerWaalsContact O-CB 3.31Å; D55-M59 WeakPolarHBondContact O-CB 3.31Å; D55-M59 PolarHBondContact O-N 3.33Å
56A73.2Confident83.1Confident47 Ų4734.7 Ų34.739%0.38819%0.187SC..Hα-helixtrans-57.9-32-176.900000113K60 M340A56-K60 WeakPolarHBondContact O-CB 3.49Å; A56-K60 PolarHBondContact O-N 3.01Å; A56-K60 VanDerWaalsContact O-N 3.11Å; A56-M340 HydrophobicContact CB-SD 4.08Å
57R74.8Confident82.6Confident169 Ų16937.5 Ų37.564%0.63820%0.199SC*.Hα-helixtrans-71.2-55.5176.7-169.7-172.5-60.5-156.61.3109.4D55 M59 K60 H61D55-R57 PolarHBondContact O-N 2.89Å; D55-R57 VanDerWaalsContact O-N 3.16Å; D55-R57 WeakPolarHBondContact OD1-CA 3.33Å; D55-R57 WeakPolarHBondContact OD1-CB 3.25Å; D55-R57 PolarHBondContact OD1-N 3.3Å; R57-M59 VanDerWaalsContact C-N 3.26Å; R57-M59 PolarHBondContact O-N 3.43Å; R57-K60 WeakPolarHBondContact O-CB 3.35Å; R57-K60 PolarHBondContact O-N 3.2Å; R57-H61 PolarHBondContact O-CD2 2.94Å; R57-H61 VanDerWaalsContact O-CD2 3.22Å; R57-H61 PolarHBondContact O-N 3.39Å
58S76.3Confident82.3Confident30 Ų3037.3 Ų37.321%0.2120%0.198CC..Hα-helixtrans-54.2-44.6178.8-173.90000112A52 D55 K60 H61 A62A52-S58 PolarHBondContact O-OG 3.36Å; D55-S58 PolarHBondContact O-N 2.95Å; D55-S58 PolarHBondContact OD1-N 3.41Å; D55-S58 VanDerWaalsContact OD2-CB 3.24Å; D55-S58 WeakPolarHBondContact OD2-CB 3.42Å; S58-K60 VanDerWaalsContact C-N 3.32Å; S58-K60 PolarHBondContact O-N 3.01Å; S58-H61 PolarHBondContact O-N 2.84Å; S58-H61 VanDerWaalsContact O-N 3.16Å; S58-A62 WeakPolarHBondContact O-CB 3.3Å; S58-A62 PolarHBondContact O-N 2.94Å
59M77.8Confident81.9Confident29 Ų2938 Ų3814%0.14320%0.201CC..Hα-helixtrans-61.7-38177.5-175.1-173.3-75.800112.3L53 D55 R57 H61 A62 L63 L96 M340L53-M59 HydrophobicContact CB-CE 4.21Å; L53-M59 HydrophobicContact CD2-CB 4.37Å; L53-M59 HydrophobicContact CD2-CG 4.32Å; D55-M59 VanDerWaalsContact O-CB 3.31Å; D55-M59 WeakPolarHBondContact O-CB 3.31Å; D55-M59 PolarHBondContact O-N 3.33Å; R57-M59 VanDerWaalsContact C-N 3.26Å; R57-M59 PolarHBondContact O-N 3.43Å; M59-H61 VanDerWaalsContact C-N 3.34Å; M59-A62 PolarHBondContact O-N 2.82Å; M59-L63 HydrophobicContact CG-CD1 4.02Å; M59-L63 WeakPolarHBondContact O-CB 3.38Å; M59-L63 WeakPolarHBondContact O-CG 3.39Å; M59-L63 PolarHBondContact O-N 3.47Å; M59-L96 HydrophobicContact CE-CD2 4.39Å; M59-L96 HydrophobicContact CG-CD2 4.23Å; M59-L96 HydrophobicContact SD-CD2 3.29Å; M59-L96 WeakPolarHBondContact SD-CD2 3.39Å; M59-M340 VanDerWaalsContact C-CE 3.48Å; M59-M340 HydrophobicContact CB-CE 3.71Å; M59-M340 HydrophobicContact CG-CE 3.5Å; M59-M340 VanDerWaalsContact CG-CE 3.5Å; M59-M340 HydrophobicContact SD-CE 3.83Å; M59-M340 HydrophobicContact SD-SD 4.48Å
60K77.1Confident81.8Confident61 Ų6145.4 Ų45.427%0.26523%0.229SC..Hα-helixtrans-68-36177-174.1-177.9-173.6-177.80111.7A56 R57 S58 R64 M340A56-K60 WeakPolarHBondContact O-CB 3.49Å; A56-K60 PolarHBondContact O-N 3.01Å; A56-K60 VanDerWaalsContact O-N 3.11Å; R57-K60 WeakPolarHBondContact O-CB 3.35Å; R57-K60 PolarHBondContact O-N 3.2Å; S58-K60 VanDerWaalsContact C-N 3.32Å; S58-K60 PolarHBondContact O-N 3.01Å; K60-R64 WeakPolarHBondContact O-CB 3.25Å; K60-R64 PolarHBondContact O-N 3.18Å; K60-M340 VanDerWaalsContact CA-CE 3.43Å; K60-M340 HydrophobicContact CB-CE 3.71Å; K60-M340 HydrophobicContact CB-SD 4.19Å
61H78.4Confident81.8Confident51 Ų5147.5 Ų47.524%0.23624%0.235CC..Hα-helixtrans-67.9-46.4174-79.6-96.4000111R57 S58 M59 R64 E65 R173R57-H61 PolarHBondContact O-CD2 2.94Å; R57-H61 VanDerWaalsContact O-CD2 3.22Å; R57-H61 PolarHBondContact O-N 3.39Å; S58-H61 PolarHBondContact O-N 2.84Å; S58-H61 VanDerWaalsContact O-N 3.16Å; M59-H61 VanDerWaalsContact C-N 3.34Å; H61-R64 PolarHBondContact O-N 2.82Å; H61-E65 WeakPolarHBondContact O-CB 3.39Å; H61-E65 PolarHBondContact O-N 3.16Å; H61-R173 PolarHBondContact CE1-NH2 2.91Å
62A80.6Confident82.1Confident2 Ų247.8 Ų47.82%0.01724%0.237CC..Hα-helixtrans-63-47.5179.700000113.3I51 L53 S58 M59 R64 E65 I66I51-A62 HydrophobicContact CG2-CB 3.61Å; L53-A62 HydrophobicContact CD2-CB 3.34Å; S58-A62 WeakPolarHBondContact O-CB 3.3Å; S58-A62 PolarHBondContact O-N 2.94Å; M59-A62 PolarHBondContact O-N 2.82Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 3.05Å; A62-E65 PolarHBondContact O-N 3.39Å; A62-I66 WeakPolarHBondContact O-CB 3.32Å; A62-I66 WeakPolarHBondContact O-CD1 3.48Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.43Å; A62-I66 PolarHBondContact O-N 2.86Å
63L80.3Confident82.7Confident28 Ų2850.2 Ų50.215%0.14724%0.243CC..Hα-helixtrans-57.3-44.9177.6-86.3163.2000111.6M59 I66 K67 L95 L96 M340M59-L63 HydrophobicContact CG-CD1 4.02Å; M59-L63 WeakPolarHBondContact O-CB 3.38Å; M59-L63 WeakPolarHBondContact O-CG 3.39Å; M59-L63 PolarHBondContact O-N 3.47Å; L63-I66 PolarHBondContact O-N 2.96Å; L63-K67 VanDerWaalsContact O-CB 3.29Å; L63-K67 WeakPolarHBondContact O-CB 3.09Å; L63-K67 PolarHBondContact O-N 3.21Å; L63-L95 HydrophobicContact CD2-CB 3.99Å; L63-L95 HydrophobicContact CD2-CD2 3.26Å; L63-L95 HydrophobicContact CD2-CG 4.17Å; L63-L95 HydrophobicContact CG-CD2 3.7Å; L63-L96 HydrophobicContact CD1-CD2 4.1Å; L63-M340 HydrophobicContact CD1-CE 3.66Å
64R82.9Confident83.4Confident9 Ų950.5 Ų50.53%0.03425%0.245CC..Hα-helixtrans-66-46.2178.1-171.3-165.5-43.2-130.1-5.3112.1K60 H61 A62 I66 K67 I68 A172 R173 E333K60-R64 WeakPolarHBondContact O-CB 3.25Å; K60-R64 PolarHBondContact O-N 3.18Å; H61-R64 PolarHBondContact O-N 2.82Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 3.05Å; R64-I66 VanDerWaalsContact C-N 3.31Å; R64-I66 PolarHBondContact O-N 3.31Å; R64-K67 PolarHBondContact O-N 3.14Å; R64-I68 HydrophobicContact CG-CD1 3.83Å; R64-I68 HydrophobicContact CG-CG1 4.42Å; R64-I68 WeakPolarHBondContact O-CB 3.26Å; R64-I68 WeakPolarHBondContact O-CG1 3.19Å; R64-I68 PolarHBondContact O-N 3.32Å; R64-A172 VanDerWaalsContact CD-O 3.29Å; R64-A172 WeakPolarHBondContact CD-O 3.36Å; R64-R173 VanDerWaalsContact CD-NH1 3.3Å; R64-R173 VanDerWaalsContact CZ-NH1 3.32Å; R64-R173 VanDerWaalsContact NE-NH1 3.13Å; R64-R173 VanDerWaalsContact NH1-CZ 3.32Å; R64-R173 VanDerWaalsContact NH1-NE 3.15Å; R64-E333 IonicContact CZ-OE1 3.95Å; R64-E333 IonicContact CZ-OE2 3.98Å; R64-E333 IonicContact NH1-OE1 3.85Å; R64-E333 PolarHBondContact NH1-OE1 3.06Å; R64-E333 IonicContact NH1-OE2 3.33Å; R64-E333 PolarHBondContact NH1-OE2 3.46Å; R64-E333 IonicContact NH2-OE2 2.75Å
65E86.3Confident84.3Confident6 Ų650.5 Ų50.53%0.02824%0.237CC..Hα-helixtrans-53.7-52.6174.9-178.5178.3177.200109.3K49 H61 A62 K67 I68 I69 I103 F169 G170K49-E65 IonicContact NZ-OE1 2.92Å; K49-E65 PolarHBondContact NZ-OE1 3.07Å; K49-E65 IonicContact NZ-OE2 3.16Å; H61-E65 WeakPolarHBondContact O-CB 3.39Å; H61-E65 PolarHBondContact O-N 3.16Å; A62-E65 PolarHBondContact O-N 3.39Å; E65-K67 PolarHBondContact O-N 3.42Å; E65-I68 PolarHBondContact O-N 3.36Å; E65-I69 HydrophobicContact CG-CD1 4.27Å; E65-I69 HydrophobicContact CG-CG2 4.48Å; E65-I69 WeakPolarHBondContact O-CG1 3.46Å; E65-I69 WeakPolarHBondContact O-CG2 3.33Å; E65-I69 PolarHBondContact O-N 3.34Å; E65-I103 HydrophobicContact CG-CD1 4.47Å; E65-F169 HydrophobicContact CG-CB 4.47Å; E65-G170 WeakPolarHBondContact OE2-CA 3.49Å
66I85.6Confident85.3Confident8 Ų847.2 Ų47.24%0.04122%0.219CC..Hα-helixtrans-58.5-45.1177.9-69.9161.6000112.2A62 L63 R64 I69 R70 V83 L95 A101 I103A62-I66 WeakPolarHBondContact O-CB 3.32Å; A62-I66 WeakPolarHBondContact O-CD1 3.48Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.43Å; A62-I66 PolarHBondContact O-N 2.86Å; L63-I66 PolarHBondContact O-N 2.96Å; R64-I66 VanDerWaalsContact C-N 3.31Å; R64-I66 PolarHBondContact O-N 3.31Å; I66-I69 WeakPolarHBondContact O-CG1 3.47Å; I66-R70 HydrophobicContact CG2-CG 4.32Å; I66-R70 VanDerWaalsContact O-CB 3.27Å; I66-R70 WeakPolarHBondContact O-CB 3.46Å; I66-R70 WeakPolarHBondContact O-CG 3.35Å; I66-R70 PolarHBondContact O-N 3.34Å; I66-R70 VanDerWaalsContact O-N 3.09Å; I66-V83 HydrophobicContact CD1-CG1 3.85Å; I66-V83 HydrophobicContact CG1-CG1 4.11Å; I66-V83 HydrophobicContact CG1-CG2 4.29Å; I66-V83 HydrophobicContact CG2-CG2 3.93Å; I66-L95 HydrophobicContact CD1-CD1 4.37Å; I66-L95 HydrophobicContact CD1-CD2 3.68Å; I66-A101 HydrophobicContact CD1-CB 4.43Å; I66-I103 HydrophobicContact CG1-CD1 4.12Å; I66-I103 HydrophobicContact CG1-CG1 4.29Å
67K86.1Confident86.5Confident59 Ų5945.2 Ų45.226%0.25720%0.202SC..Hα-helixtrans-65.3-41.6-179.1-175.3172.6-179.4174.10111.8L63 R64 E65 F328 D332L63-K67 VanDerWaalsContact O-CB 3.29Å; L63-K67 WeakPolarHBondContact O-CB 3.09Å; L63-K67 PolarHBondContact O-N 3.21Å; R64-K67 PolarHBondContact O-N 3.14Å; E65-K67 PolarHBondContact O-N 3.42Å; K67-F328 HydrophobicContact CG-CE1 4.39Å; K67-D332 VanDerWaalsContact CE-OD1 3.32Å; K67-D332 WeakPolarHBondContact CE-OD1 3.34Å; K67-D332 PolarHBondContact NZ-O 2.74Å; K67-D332 IonicContact NZ-OD1 3.63Å; K67-D332 PolarHBondContact NZ-OD1 2.84Å
68I89.1Confident87.5Confident1 Ų137.5 Ų37.51%0.00517%0.174CC..Hα-helixtrans-65.7-58.4177.6-70.8172.7000109.7R64 E65 R70 R71 L72 V145 F169 A172 F328R64-I68 HydrophobicContact CG-CD1 3.83Å; R64-I68 HydrophobicContact CG-CG1 4.42Å; R64-I68 WeakPolarHBondContact O-CB 3.26Å; R64-I68 WeakPolarHBondContact O-CG1 3.19Å; R64-I68 PolarHBondContact O-N 3.32Å; E65-I68 PolarHBondContact O-N 3.36Å; I68-R70 VanDerWaalsContact C-N 3.29Å; I68-R70 PolarHBondContact O-N 2.93Å; I68-R71 PolarHBondContact O-N 2.87Å; I68-R71 VanDerWaalsContact O-N 3.12Å; I68-L72 HydrophobicContact CG2-CD1 3.65Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 WeakPolarHBondContact O-CG 3.42Å; I68-L72 PolarHBondContact O-N 3.11Å; I68-V145 HydrophobicContact CD1-CG1 4.27Å; I68-V145 HydrophobicContact CG2-CG1 3.93Å; I68-V145 HydrophobicContact CG2-CG2 4.29Å; I68-F169 HydrophobicContact CG2-CD1 4.01Å; I68-A172 HydrophobicContact CD1-CB 3.78Å; I68-F328 HydrophobicContact CB-CZ 4.45Å; I68-F328 HydrophobicContact CG1-CE1 4.4Å; I68-F328 HydrophobicContact CG1-CZ 4.36Å
69I87.1Confident88.4Confident13 Ų1340.2 Ų40.27%0.06718%0.182CC..Hα-helixtrans-65.5-28.6-171.768.3-165.6000113.4E65 I66 R71 V80 I103 F169E65-I69 HydrophobicContact CG-CD1 4.27Å; E65-I69 HydrophobicContact CG-CG2 4.48Å; E65-I69 WeakPolarHBondContact O-CG1 3.46Å; E65-I69 WeakPolarHBondContact O-CG2 3.33Å; E65-I69 PolarHBondContact O-N 3.34Å; I66-I69 WeakPolarHBondContact O-CG1 3.47Å; I69-R71 VanDerWaalsContact C-N 3.26Å; I69-R71 PolarHBondContact O-N 3.04Å; I69-V80 HydrophobicContact CB-CG2 3.8Å; I69-V80 HydrophobicContact CD1-CG1 4.39Å; I69-V80 HydrophobicContact CD1-CG2 3.76Å; I69-V80 HydrophobicContact CG1-CB 4.26Å; I69-V80 HydrophobicContact CG1-CG1 4.36Å; I69-V80 HydrophobicContact CG1-CG2 3.71Å; I69-I103 HydrophobicContact CD1-CD1 3.63Å; I69-I103 HydrophobicContact CD1-CG1 4.4Å; I69-I103 HydrophobicContact CD1-CG2 3.96Å; I69-F169 HydrophobicContact CG2-CB 3.57Å; I69-F169 HydrophobicContact CG2-CD2 3.64Å; I69-F169 HydrophobicContact CG2-CG 3.75Å
70R87.5Confident89.1Confident169 Ų16939.9 Ų39.964%0.63818%0.181SC*.THydrogen-bonded Turntrans-70.8-20.5177.9-78.3-176.668.9-1783.7113.7I66 I68 V83I66-R70 HydrophobicContact CG2-CG 4.32Å; I66-R70 VanDerWaalsContact O-CB 3.27Å; I66-R70 WeakPolarHBondContact O-CB 3.46Å; I66-R70 WeakPolarHBondContact O-CG 3.35Å; I66-R70 PolarHBondContact O-N 3.34Å; I66-R70 VanDerWaalsContact O-N 3.09Å; I68-R70 VanDerWaalsContact C-N 3.29Å; I68-R70 PolarHBondContact O-N 2.93Å; R70-V83 HydrophobicContact CG-CG2 4.38Å
71R89.6Confident89.9Confident92 Ų9240.1 Ų40.135%0.34718%0.181SC..THydrogen-bonded Turntrans-107.3-14.3-177.1172171.5167.6-176.9-7112.8I68 I69 H326 P327 F328I68-R71 PolarHBondContact O-N 2.87Å; I68-R71 VanDerWaalsContact O-N 3.12Å; I69-R71 VanDerWaalsContact C-N 3.26Å; I69-R71 PolarHBondContact O-N 3.04Å; R71-H326 PolarHBondContact NE-O 3.33Å; R71-H326 PolarHBondContact NH2-O 2.78Å; R71-P327 VanDerWaalsContact NH2-C 3.31Å; R71-P327 PolarHBondContact NH2-O 3.45Å; R71-F328 HydrophobicContact CB-CE1 4.45Å; R71-F328 HydrophobicContact CB-CZ 3.79Å; R71-F328 HydrophobicContact CG-CE2 4.29Å; R71-F328 HydrophobicContact CG-CZ 3.86Å
72L92.6Very high90.4Very high8 Ų839.8 Ų39.84%0.04218%0.18CC..  trans-79.1122.8169.1-62.1178.7000109.2I68 I77 Y139 I140 A143 F169 F328I68-L72 HydrophobicContact CG2-CD1 3.65Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 WeakPolarHBondContact O-CG 3.42Å; I68-L72 PolarHBondContact O-N 3.11Å; L72-I77 HydrophobicContact CB-CD1 4.2Å; L72-I77 HydrophobicContact CB-CG2 4.34Å; L72-I77 HydrophobicContact CD1-CD1 4.42Å; L72-Y139 HydrophobicContact CB-CE1 4.37Å; L72-Y139 HydrophobicContact CD2-CD1 4.22Å; L72-Y139 HydrophobicContact CD2-CE1 3.82Å; L72-I140 HydrophobicContact CD1-CG1 4.41Å; L72-A143 HydrophobicContact CD2-CB 4.05Å; L72-F169 HydrophobicContact CD1-CD1 4.06Å; L72-F169 HydrophobicContact CD1-CE1 3.48Å; L72-F169 VanDerWaalsContact CD1-CE1 3.48Å; L72-F169 HydrophobicContact CD1-CZ 3.76Å; L72-F328 HydrophobicContact CD2-CE2 4.31Å
73D94.4Very high90.9Very high97 Ų9740.1 Ų40.152%0.51918%0.182SC..  trans-139.2106.6176.4-166.328.3000107.7K79 Y139D73-K79 IonicContact OD1-NZ 3.34Å; D73-K79 PolarHBondContact OD1-NZ 3.41Å; D73-K79 IonicContact OD2-NZ 3.8Å; D73-Y139 PolarHBondContact O-OH 2.64Å
74H96.9Very high91.3Very high15 Ų1538.9 Ų38.97%0.06918%0.175CC..  trans-162.5145-173.7-176.1-90.5000109.2N76 I77 R135 Y139H74-N76 PolarHBondContact CE1-OD1 3.41Å; H74-N76 VanDerWaalsContact CE1-OD1 3.25Å; H74-N76 PolarHBondContact ND1-N 3.38Å; H74-N76 PolarHBondContact O-N 3.43Å; H74-I77 HydrophobicContact CB-CB 4.28Å; H74-I77 HydrophobicContact CB-CD1 3.75Å; H74-I77 HydrophobicContact CB-CG1 3.94Å; H74-I77 PolarHBondContact O-N 3.31Å; H74-I77 VanDerWaalsContact O-O 3.12Å; H74-R135 PolarHBondContact CE1-NH1 2.84Å; H74-R135 PolarHBondContact NE2-NH1 3.42Å; H74-Y139 HydrophobicContact CB-CD1 3.84Å; H74-Y139 HydrophobicContact CB-CD2 4.28Å; H74-Y139 HydrophobicContact CB-CE1 4.14Å; H74-Y139 HydrophobicContact CB-CG 3.91Å; H74-Y139 AromaticContact CD2-CD2 3.66Å; H74-Y139 AromaticContact CD2-CG 3.64Å; H74-Y139 AromaticContact CG-CG 3.91Å
75D97Very high91.6Very high93 Ų9338.5 Ų38.550%0.49717%0.174SC..THydrogen-bonded Turntrans-61.1-35.8-173.2-47.1-50.1000112.6I77 R135 K165D75-I77 VanDerWaalsContact C-N 3.28Å; D75-I77 PolarHBondContact O-N 3.04Å; D75-R135 IonicContact OD2-CZ 2.65Å; D75-R135 IonicContact OD2-NH1 3.5Å; D75-R135 PolarHBondContact OD2-NH1 3.33Å; D75-R135 IonicContact OD2-NH2 2.68Å; D75-R135 PolarHBondContact OD2-NH2 3.09Å; D75-R135 VanDerWaalsContact OD2-NH2 3.09Å; D75-K165 WeakPolarHBondContact O-CD 3.47Å; D75-K165 WeakPolarHBondContact O-CE 3.39Å; D75-K165 WeakPolarHBondContact O-CG 3.21Å; D75-K165 PolarHBondContact O-NZ 3.44Å; D75-K165 VanDerWaalsContact O-NZ 3.14Å
76N98.1Very high91.6Very high4 Ų439.7 Ų39.72%0.02118%0.182CC..THydrogen-bonded Turntrans-89.221.5178.2-50.7109.5000114.3H74 Q132 R135 L164 K165 I166H74-N76 PolarHBondContact CE1-OD1 3.41Å; H74-N76 VanDerWaalsContact CE1-OD1 3.25Å; H74-N76 PolarHBondContact ND1-N 3.38Å; H74-N76 PolarHBondContact O-N 3.43Å; N76-Q132 WeakPolarHBondContact CB-O 3.34Å; N76-Q132 WeakPolarHBondContact ND2-CB 3.41Å; N76-Q132 PolarHBondContact ND2-OE1 3.14Å; N76-R135 WeakPolarHBondContact OD1-CD 3.32Å; N76-R135 PolarHBondContact OD1-NH1 3.48Å; N76-L164 VanDerWaalsContact CA-O 3.28Å; N76-L164 WeakPolarHBondContact CA-O 3.29Å; N76-L164 WeakPolarHBondContact CB-O 3.46Å; N76-L164 PolarHBondContact ND2-O 3.29Å; N76-K165 WeakPolarHBondContact O-CA 3.27Å; N76-I166 PolarHBondContact O-N 2.8Å
77I97.6Very high91.6Very high5 Ų546.6 Ų46.63%0.02621%0.212CC..BIsolated β-bridgetrans-127.5135.5172.5-58.5176.9000107.8L72 H74 D75 K79 Y139 I140 F169L72-I77 HydrophobicContact CB-CD1 4.2Å; L72-I77 HydrophobicContact CB-CG2 4.34Å; L72-I77 HydrophobicContact CD1-CD1 4.42Å; H74-I77 HydrophobicContact CB-CB 4.28Å; H74-I77 HydrophobicContact CB-CD1 3.75Å; H74-I77 HydrophobicContact CB-CG1 3.94Å; H74-I77 PolarHBondContact O-N 3.31Å; H74-I77 VanDerWaalsContact O-O 3.12Å; D75-I77 VanDerWaalsContact C-N 3.28Å; D75-I77 PolarHBondContact O-N 3.04Å; I77-K79 PolarHBondContact O-N 3.37Å; I77-Y139 HydrophobicContact CD1-CD1 3.63Å; I77-Y139 HydrophobicContact CD1-CE1 4.26Å; I77-I140 HydrophobicContact CD1-CD1 3.99Å; I77-I140 HydrophobicContact CD1-CG1 3.53Å; I77-I140 HydrophobicContact CG1-CD1 4.27Å; I77-I140 HydrophobicContact CG1-CG1 4.34Å; I77-F169 HydrophobicContact CG2-CE2 3.87Å; I77-F169 HydrophobicContact CG2-CZ 3.85Å
78V96.1Very high91.4Very high8 Ų845 Ų455%0.04821%0.212CC..PPolyproline II helixtrans-59.8121.9178.2172.40000109.3V80 Q105 E106 M108 F156 K165 I166V78-V80 PolarHBondContact O-N 3.22Å; V78-Q105 HydrophobicContact CG1-CB 4.08Å; V78-Q105 HydrophobicContact CG1-CG 4.19Å; V78-E106 HydrophobicContact CG1-CB 4.21Å; V78-M108 HydrophobicContact CG2-CG 4.39Å; V78-F156 HydrophobicContact CG2-CB 4.5Å; V78-F156 HydrophobicContact CG2-CD2 3.6Å; V78-F156 HydrophobicContact CG2-CE2 4.24Å; V78-F156 HydrophobicContact CG2-CG 4.32Å; V78-K165 HydrophobicContact CG2-CB 3.77Å; V78-I166 PolarHBondContact N-O 3.26Å
79K94.8Very high91.2Very high86 Ų8647.8 Ų47.837%0.37423%0.229SC..PPolyproline II helixtrans-74.4130.4-178-168.9166.6-170.5115.40110.7D73 I77 Y81 Q105 E106D73-K79 IonicContact OD1-NZ 3.34Å; D73-K79 PolarHBondContact OD1-NZ 3.41Å; D73-K79 IonicContact OD2-NZ 3.8Å; I77-K79 PolarHBondContact O-N 3.37Å; K79-Y81 HydrophobicContact CB-CE1 4.33Å; K79-Y81 HydrophobicContact CD-CD1 4.39Å; K79-Y81 HydrophobicContact CD-CE1 3.99Å; K79-Y81 HydrophobicContact CG-CD1 4.21Å; K79-Y81 HydrophobicContact CG-CE1 4.06Å; K79-Q105 CarbonylContact O-C 3.56Å; K79-Q105 VanDerWaalsContact O-CA 3.31Å; K79-Q105 WeakPolarHBondContact O-CA 3.45Å; K79-Q105 WeakPolarHBondContact O-CB 3.43Å; K79-E106 HydrophobicContact CB-CB 4.25Å; K79-E106 PolarHBondContact N-OE2 3.2Å; K79-E106 PolarHBondContact O-N 2.85Å
80V93.4Very high90.8Very high22 Ų2252.1 Ų52.113%0.13325%0.252CS..EExtended strand (participates in β ladder)trans-94.6122.3169.3175.70000108.8I69 V78 V83 I103 Q105I69-V80 HydrophobicContact CB-CG2 3.8Å; I69-V80 HydrophobicContact CD1-CG1 4.39Å; I69-V80 HydrophobicContact CD1-CG2 3.76Å; I69-V80 HydrophobicContact CG1-CB 4.26Å; I69-V80 HydrophobicContact CG1-CG1 4.36Å; I69-V80 HydrophobicContact CG1-CG2 3.71Å; V78-V80 PolarHBondContact O-N 3.22Å; V80-V83 HydrophobicContact CG1-CG2 4.27Å; V80-I103 HydrophobicContact CG1-CG2 3.81Å; V80-I103 HydrophobicContact CG2-CG2 4.03Å; V80-Q105 HydrophobicContact CG2-CB 4.23Å
81Y92.9Very high89.9Confident66 Ų6644.6 Ų44.626%0.25923%0.225SC..EExtended strand (participates in β ladder)trans-83.7-45.4-178.3-61-48.2000111.5R44 V46 K79 V104 E106R44-Y81 VanDerWaalsContact NH2-CD1 3.34Å; V46-Y81 HydrophobicContact CG1-CD2 4.02Å; V46-Y81 HydrophobicContact CG1-CE2 4.02Å; K79-Y81 HydrophobicContact CB-CE1 4.33Å; K79-Y81 HydrophobicContact CD-CD1 4.39Å; K79-Y81 HydrophobicContact CD-CE1 3.99Å; K79-Y81 HydrophobicContact CG-CD1 4.21Å; K79-Y81 HydrophobicContact CG-CE1 4.06Å; Y81-V104 HydrophobicContact CD2-CG1 4.42Å; Y81-V104 PolarHBondContact N-O 3.01Å; Y81-E106 HydrophobicContact CE2-CB 4.29Å
82E90.3Very high88.6Confident44 Ų4448 Ų4821%0.20625%0.245CC..EExtended strand (participates in β ladder)trans-163.3163.1-178.459.7-165.812000111.1R19 L84 V104R19-E82 IonicContact CZ-OE1 2.72Å; R19-E82 IonicContact CZ-OE2 3.02Å; R19-E82 IonicContact NH1-OE1 2.83Å; R19-E82 PolarHBondContact NH1-OE1 3.28Å; R19-E82 IonicContact NH1-OE2 3.49Å; R19-E82 PolarHBondContact NH1-OE2 3.29Å; R19-E82 IonicContact NH2-OE1 2.76Å; R19-E82 PolarHBondContact NH2-OE1 2.94Å; R19-E82 IonicContact NH2-OE2 3.59Å; E82-L84 HydrophobicContact CG-CD1 4.27Å; E82-L84 HydrophobicContact CG-CD2 4.36Å; E82-L84 HydrophobicContact CG-CG 4.06Å; E82-L84 WeakPolarHBondContact OE2-CD2 3.42Å; E82-V104 HydrophobicContact CG-CB 3.76Å; E82-V104 HydrophobicContact CG-CG1 4.38Å; E82-V104 HydrophobicContact CG-CG2 3.97Å; E82-V104 PolarHBondContact N-O 3.36Å; E82-V104 PolarHBondContact O-N 2.83Å
83V89.4Confident87Confident9 Ų951.1 Ų51.16%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-123.9123.4171.6-170.10000108I66 R70 V80 L91 A101 Y102 I103I66-V83 HydrophobicContact CD1-CG1 3.85Å; I66-V83 HydrophobicContact CG1-CG1 4.11Å; I66-V83 HydrophobicContact CG1-CG2 4.29Å; I66-V83 HydrophobicContact CG2-CG2 3.93Å; R70-V83 HydrophobicContact CG-CG2 4.38Å; V80-V83 HydrophobicContact CG1-CG2 4.27Å; V83-L91 HydrophobicContact CB-CD1 4.21Å; V83-L91 HydrophobicContact CG1-CD1 3.6Å; V83-A101 HydrophobicContact CG1-CB 4.28Å; V83-Y102 CarbonylContact C-O 3.54Å; V83-Y102 VanDerWaalsContact CA-O 3.32Å; V83-Y102 WeakPolarHBondContact CA-O 3.33Å; V83-I103 HydrophobicContact CG1-CG1 4.26Å; V83-I103 HydrophobicContact CG2-CG1 4.38Å
84L90.6Very high85.6Confident3 Ų350.9 Ų50.92%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-115.4145.9-170.4-64.5175.9000111.5L16 F20 E82 T89 A101 Y102 V104L16-L84 HydrophobicContact CD2-CB 3.94Å; L16-L84 HydrophobicContact CD2-CD1 3.89Å; F20-L84 HydrophobicContact CE2-CD1 3.41Å; F20-L84 VanDerWaalsContact CE2-CD1 3.41Å; F20-L84 HydrophobicContact CZ-CD1 3.64Å; E82-L84 HydrophobicContact CG-CD1 4.27Å; E82-L84 HydrophobicContact CG-CD2 4.36Å; E82-L84 HydrophobicContact CG-CG 4.06Å; E82-L84 WeakPolarHBondContact OE2-CD2 3.42Å; L84-T89 WeakPolarHBondContact CA-O 3.25Å; L84-A101 CarbonylContact O-C 3.54Å; L84-A101 WeakPolarHBondContact O-CA 3.41Å; L84-Y102 PolarHBondContact N-O 3.23Å; L84-Y102 PolarHBondContact O-N 3.44Å; L84-V104 HydrophobicContact CD1-CG2 3.86Å; L84-V104 HydrophobicContact CG-CG2 4.37Å
85G88.7Confident84.1Confident0 Ų051.1 Ų51.10%028%0.276CS..  trans-83.6-178.1166.500000111.9G88 T89G85-G88 PolarHBondContact O-N 3.35Å; G85-T89 PolarHBondContact N-O 3.33Å
86P85.9Confident82.5Confident31 Ų3148.5 Ų48.520%0.20126%0.262CS..G310 helixtrans-51.2147.3170.1-23.634.7000112D15 G88 T89 F98D15-P86 CarbonylContact O-C 3.56Å; P86-G88 PolarHBondContact O-N 3.01Å; P86-T89 WeakPolarHBondContact O-CG2 3.44Å; P86-T89 PolarHBondContact O-N 3.49Å; P86-T89 PolarHBondContact O-OG1 2.89Å; P86-F98 HydrophobicContact CG-CD1 3.96Å
87K85.6Confident81Confident154 Ų15455 Ų5567%0.6729%0.29SS*.G310 helixtrans60.518.6-175.7-53.1179.5179.3178.70114.3D15 T89D15-K87 PolarHBondContact O-N 2.88Å; D15-K87 VanDerWaalsContact OD2-CG 3.26Å; D15-K87 WeakPolarHBondContact OD2-CG 3.31Å; D15-K87 PolarHBondContact OD2-N 3Å; K87-T89 VanDerWaalsContact C-N 3.31Å
88G82.4Confident79.8Confident26 Ų2657.1 Ų57.127%0.26830%0.3SS..G310 helixtrans70.526.9-178.500000113.5G85 P86G85-G88 PolarHBondContact O-N 3.35Å; P86-G88 PolarHBondContact O-N 3.01Å
89T84.3Confident79Confident59 Ų5960.8 Ų60.836%0.36233%0.326SS..  trans-72.7141.7177.848.40000111.3L84 G85 P86 K87L84-T89 WeakPolarHBondContact CA-O 3.25Å; G85-T89 PolarHBondContact N-O 3.33Å; P86-T89 WeakPolarHBondContact O-CG2 3.44Å; P86-T89 PolarHBondContact O-N 3.49Å; P86-T89 PolarHBondContact O-OG1 2.89Å; K87-T89 VanDerWaalsContact C-N 3.31Å
90D78.8Confident78.5Confident103 Ų10357.8 Ų57.855%0.55131%0.314SS*.BIsolated β-bridgetrans-71.5131.8175.4-175.214.5000110.3Q92D90-Q92 VanDerWaalsContact C-N 3.3Å; D90-Q92 HydrophobicContact CB-CG 4.29Å; D90-Q92 PolarHBondContact O-N 2.86Å; D90-Q92 VanDerWaalsContact O-N 3.09Å; D90-Q92 VanDerWaalsContact OD2-CG 3.24Å; D90-Q92 WeakPolarHBondContact OD2-CG 3.26Å; D90-Q92 PolarHBondContact OD2-NE2 2.88Å
91L69.2Low78.3Confident11 Ų1156.8 Ų56.86%0.05831%0.308CS..  trans-85.771.8177.9-62.9174.2000109.1V83 G93 L95 F98 A101V83-L91 HydrophobicContact CB-CD1 4.21Å; V83-L91 HydrophobicContact CG1-CD1 3.6Å; L91-G93 PolarHBondContact O-N 2.91Å; L91-L95 HydrophobicContact CB-CD1 3.92Å; L91-L95 HydrophobicContact CD1-CD1 3.38Å; L91-L95 HydrophobicContact CD1-CG 4.33Å; L91-L95 HydrophobicContact CD2-CD1 4.43Å; L91-L95 HydrophobicContact CG-CD1 4.1Å; L91-F98 HydrophobicContact CD2-CD2 3.3Å; L91-F98 HydrophobicContact CD2-CE2 3.39Å; L91-F98 HydrophobicContact CD2-CG 4.23Å; L91-F98 HydrophobicContact CD2-CZ 4.36Å; L91-A101 HydrophobicContact CD1-CB 4.22Å
92Q62.5Low78.2Confident163 Ų16353.8 Ų53.876%0.76230%0.297SS*.SBendtrans-72.253.1176.9-64.8-163.4-1.200112.9D90D90-Q92 VanDerWaalsContact C-N 3.3Å; D90-Q92 HydrophobicContact CB-CG 4.29Å; D90-Q92 PolarHBondContact O-N 2.86Å; D90-Q92 VanDerWaalsContact O-N 3.09Å; D90-Q92 VanDerWaalsContact OD2-CG 3.24Å; D90-Q92 WeakPolarHBondContact OD2-CG 3.26Å; D90-Q92 PolarHBondContact OD2-NE2 2.88Å
93G58.2Low78.3Confident74 Ų7451.7 Ų51.776%0.76329%0.287SS*.SBendtrans88-2.917900000115.1L91 L95L91-G93 PolarHBondContact O-N 2.91Å; G93-L95 VanDerWaalsContact C-N 3.34Å; G93-L95 PolarHBondContact O-N 3.3Å
94E65.6Low78.5Confident93 Ų9351.3 Ų51.344%0.43528%0.284SS..  trans-94.937.1-179.3-55.2-164.9151.200113.3L96 K97 F98E94-L96 PolarHBondContact O-N 3.1Å; E94-K97 HydrophobicContact CB-CD 4.13Å; E94-K97 HydrophobicContact CB-CG 4.22Å; E94-K97 VanDerWaalsContact CD-CE 3.42Å; E94-K97 PolarHBondContact O-N 3.35Å; E94-K97 WeakPolarHBondContact OE1-CE 3.2Å; E94-K97 IonicContact OE1-NZ 2.67Å; E94-K97 PolarHBondContact OE1-NZ 3.01Å; E94-K97 VanDerWaalsContact OE2-CD 3.25Å; E94-K97 WeakPolarHBondContact OE2-CD 3.47Å; E94-K97 VanDerWaalsContact OE2-CE 3.22Å; E94-K97 WeakPolarHBondContact OE2-CE 3.41Å; E94-K97 IonicContact OE2-NZ 2.71Å; E94-K97 PolarHBondContact OE2-NZ 3.42Å; E94-F98 HydrophobicContact CB-CE2 4.39Å; E94-F98 VanDerWaalsContact O-CD2 3.26Å; E94-F98 WeakPolarHBondContact O-CD2 3.3Å; E94-F98 WeakPolarHBondContact O-CE2 3.24Å
95L64Low78.7Confident19 Ų1952.5 Ų52.510%0.09929%0.29CS..G310 helixtrans-55.9-29.1-176.3-137.791.7000112.9L63 I66 L91 G93 K97L63-L95 HydrophobicContact CD2-CB 3.99Å; L63-L95 HydrophobicContact CD2-CD2 3.26Å; L63-L95 HydrophobicContact CD2-CG 4.17Å; L63-L95 HydrophobicContact CG-CD2 3.7Å; I66-L95 HydrophobicContact CD1-CD1 4.37Å; I66-L95 HydrophobicContact CD1-CD2 3.68Å; L91-L95 HydrophobicContact CB-CD1 3.92Å; L91-L95 HydrophobicContact CD1-CD1 3.38Å; L91-L95 HydrophobicContact CD1-CG 4.33Å; L91-L95 HydrophobicContact CD2-CD1 4.43Å; L91-L95 HydrophobicContact CG-CD1 4.1Å; G93-L95 VanDerWaalsContact C-N 3.34Å; G93-L95 PolarHBondContact O-N 3.3Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 3.13Å
96L63.3Low79Confident38 Ų3854.4 Ų54.420%0.19930%0.299CS..G310 helixtrans-77.9-11.2-176-55.8170.9000113.8M59 L63 E94 F98 L339 N343M59-L96 HydrophobicContact CE-CD2 4.39Å; M59-L96 HydrophobicContact CG-CD2 4.23Å; M59-L96 HydrophobicContact SD-CD2 3.29Å; M59-L96 WeakPolarHBondContact SD-CD2 3.39Å; L63-L96 HydrophobicContact CD1-CD2 4.1Å; E94-L96 PolarHBondContact O-N 3.1Å; L96-F98 VanDerWaalsContact C-N 3.33Å; L96-L339 HydrophobicContact CD1-CB 4.45Å; L96-L339 HydrophobicContact CD1-CD2 3.88Å; L96-N343 WeakPolarHBondContact CB-ND2 3.36Å; L96-N343 HydrophobicContact CD1-CB 4.46Å; L96-N343 VanDerWaalsContact CD1-ND2 3.26Å; L96-N343 WeakPolarHBondContact CD1-ND2 3.5Å
97K68.3Low79.5Confident140 Ų14056 Ų5661%0.60930%0.301SS*.G310 helixtrans-84.2-11.1177.5-66.1-168.1-169.2169.50113.2E94 L95E94-K97 HydrophobicContact CB-CD 4.13Å; E94-K97 HydrophobicContact CB-CG 4.22Å; E94-K97 VanDerWaalsContact CD-CE 3.42Å; E94-K97 PolarHBondContact O-N 3.35Å; E94-K97 WeakPolarHBondContact OE1-CE 3.2Å; E94-K97 IonicContact OE1-NZ 2.67Å; E94-K97 PolarHBondContact OE1-NZ 3.01Å; E94-K97 VanDerWaalsContact OE2-CD 3.25Å; E94-K97 WeakPolarHBondContact OE2-CD 3.47Å; E94-K97 VanDerWaalsContact OE2-CE 3.22Å; E94-K97 WeakPolarHBondContact OE2-CE 3.41Å; E94-K97 IonicContact OE2-NZ 2.71Å; E94-K97 PolarHBondContact OE2-NZ 3.42Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 3.13Å
98F70.8Confident79.9Confident51 Ų5149.7 Ų49.722%0.22427%0.274CS..  trans-112.6141.3-173-55.3-73.5000111L53 P86 L91 E94 L96 V100L53-F98 VanDerWaalsContact CD1-O 3.3Å; L53-F98 WeakPolarHBondContact CD1-O 3.43Å; P86-F98 HydrophobicContact CG-CD1 3.96Å; L91-F98 HydrophobicContact CD2-CD2 3.3Å; L91-F98 HydrophobicContact CD2-CE2 3.39Å; L91-F98 HydrophobicContact CD2-CG 4.23Å; L91-F98 HydrophobicContact CD2-CZ 4.36Å; E94-F98 HydrophobicContact CB-CE2 4.39Å; E94-F98 VanDerWaalsContact O-CD2 3.26Å; E94-F98 WeakPolarHBondContact O-CD2 3.3Å; E94-F98 WeakPolarHBondContact O-CE2 3.24Å; L96-F98 VanDerWaalsContact C-N 3.33Å; F98-V100 VanDerWaalsContact C-N 3.3Å
99S79.5Confident80.3Confident85 Ų8551.5 Ų51.559%0.59428%0.276SS*.SBendtrans-83-9.2173.556.20000112.9L53L53-S99 PolarHBondContact N-O 3.36Å
100V85.9Confident80.7Confident22 Ų2250 Ų5013%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-145.1139.4-177.11790000109.5K50 I51 F98 Y102K50-V100 HydrophobicContact CD-CG1 4.2Å; K50-V100 HydrophobicContact CG-CG1 3.65Å; I51-V100 WeakPolarHBondContact O-CA 3.39Å; F98-V100 VanDerWaalsContact C-N 3.3Å; V100-Y102 HydrophobicContact CG1-CD2 4.4Å; V100-Y102 HydrophobicContact CG1-CE1 4.14Å; V100-Y102 HydrophobicContact CG1-CE2 3.82Å
101A88.5Confident81.5Confident1 Ų146 Ų461%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-123151166.600000110.2I51 L53 I66 V83 L84 L91I51-A101 PolarHBondContact N-O 3.38Å; I51-A101 PolarHBondContact O-N 2.82Å; L53-A101 HydrophobicContact CD1-CB 4.19Å; I66-A101 HydrophobicContact CD1-CB 4.43Å; V83-A101 HydrophobicContact CG1-CB 4.28Å; L84-A101 CarbonylContact O-C 3.54Å; L84-A101 WeakPolarHBondContact O-CA 3.41Å; L91-A101 HydrophobicContact CD1-CB 4.22Å
102Y90.9Very high82.8Confident4 Ų445.5 Ų45.52%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-119.3119.1176.7-58.6-86.2000109G13 Y14 D15 L16 V48 K49 K50 V83 L84 V100G13-Y102 PolarHBondContact O-OH 2.98Å; Y14-Y102 AromaticContact CD1-CD1 3.78Å; Y14-Y102 HydrophobicContact CD1-CD1 3.78Å; Y14-Y102 AromaticContact CD1-CE1 3.58Å; Y14-Y102 HydrophobicContact CD1-CE1 3.58Å; Y14-Y102 AromaticContact CE1-CD1 3.93Å; Y14-Y102 HydrophobicContact CE1-CD1 3.93Å; Y14-Y102 HydrophobicContact CE1-CE1 4.06Å; Y14-Y102 AromaticContact CG-CE1 3.97Å; Y14-Y102 HydrophobicContact CG-CE1 3.97Å; D15-Y102 PolarHBondContact N-OH 2.99Å; D15-Y102 WeakPolarHBondContact O-CE2 3.15Å; L16-Y102 HydrophobicContact CD1-CD1 3.94Å; L16-Y102 HydrophobicContact CD1-CE1 4.48Å; L16-Y102 HydrophobicContact CD1-CG 4.04Å; L16-Y102 HydrophobicContact CD2-CD1 4.23Å; L16-Y102 HydrophobicContact CD2-CD2 3.5Å; L16-Y102 VanDerWaalsContact CD2-CD2 3.5Å; L16-Y102 HydrophobicContact CD2-CE2 4.14Å; L16-Y102 HydrophobicContact CD2-CG 3.56Å; L16-Y102 HydrophobicContact CG-CD1 4.01Å; L16-Y102 HydrophobicContact CG-CD2 3.99Å; L16-Y102 HydrophobicContact CG-CE1 4.28Å; L16-Y102 HydrophobicContact CG-CE2 4.27Å; L16-Y102 HydrophobicContact CG-CG 3.86Å; V48-Y102 HydrophobicContact CG1-CD1 4.26Å; K49-Y102 WeakPolarHBondContact O-CA 3.45Å; K50-Y102 HydrophobicContact CB-CD1 3.93Å; K50-Y102 HydrophobicContact CB-CE1 3.91Å; K50-Y102 HydrophobicContact CD-CE1 3.88Å; K50-Y102 HydrophobicContact CG-CD1 4.14Å; K50-Y102 HydrophobicContact CG-CE1 3.73Å; V83-Y102 CarbonylContact C-O 3.54Å; V83-Y102 VanDerWaalsContact CA-O 3.32Å; V83-Y102 WeakPolarHBondContact CA-O 3.33Å; L84-Y102 PolarHBondContact N-O 3.23Å; L84-Y102 PolarHBondContact O-N 3.44Å; V100-Y102 HydrophobicContact CG1-CD2 4.4Å; V100-Y102 HydrophobicContact CG1-CE1 4.14Å; V100-Y102 HydrophobicContact CG1-CE2 3.82Å
103I91.8Very high84.3Confident0 Ų039.1 Ų39.10%022%0.218CC..EExtended strand (participates in β ladder)trans-90.2117172.6-58.4175.6000107.5V48 K49 I51 E65 I66 I69 V80 V83V48-I103 WeakPolarHBondContact CA-O 3.34Å; K49-I103 HydrophobicContact CB-CB 4.37Å; K49-I103 PolarHBondContact N-O 2.94Å; K49-I103 PolarHBondContact O-N 2.79Å; I51-I103 HydrophobicContact CD1-CD1 3.31Å; I51-I103 HydrophobicContact CD1-CG1 4.02Å; I51-I103 HydrophobicContact CG1-CD1 4.3Å; E65-I103 HydrophobicContact CG-CD1 4.47Å; I66-I103 HydrophobicContact CG1-CD1 4.12Å; I66-I103 HydrophobicContact CG1-CG1 4.29Å; I69-I103 HydrophobicContact CD1-CD1 3.63Å; I69-I103 HydrophobicContact CD1-CG1 4.4Å; I69-I103 HydrophobicContact CD1-CG2 3.96Å; V80-I103 HydrophobicContact CG1-CG2 3.81Å; V80-I103 HydrophobicContact CG2-CG2 4.03Å; V83-I103 HydrophobicContact CG1-CG1 4.26Å; V83-I103 HydrophobicContact CG2-CG1 4.38Å
104V94.2Very high85.9Confident0 Ų040.5 Ų40.50%020%0.2CC..EExtended strand (participates in β ladder)trans-97.5117.3174.2-176.30000107.7F20 V46 Y81 E82 L84F20-V104 HydrophobicContact CE1-CG1 3.91Å; F20-V104 HydrophobicContact CE1-CG2 4.12Å; F20-V104 HydrophobicContact CZ-CG1 4.27Å; F20-V104 HydrophobicContact CZ-CG2 3.84Å; V46-V104 HydrophobicContact CB-CG1 3.85Å; V46-V104 HydrophobicContact CG1-CG1 3.98Å; V46-V104 HydrophobicContact CG2-CG1 3.95Å; Y81-V104 HydrophobicContact CD2-CG1 4.42Å; Y81-V104 PolarHBondContact N-O 3.01Å; E82-V104 HydrophobicContact CG-CB 3.76Å; E82-V104 HydrophobicContact CG-CG1 4.38Å; E82-V104 HydrophobicContact CG-CG2 3.97Å; E82-V104 PolarHBondContact N-O 3.36Å; E82-V104 PolarHBondContact O-N 2.83Å; L84-V104 HydrophobicContact CD1-CG2 3.86Å; L84-V104 HydrophobicContact CG-CG2 4.37Å
105Q95.1Very high87.3Confident29 Ų2937.6 Ų37.614%0.13619%0.187CC..EExtended strand (participates in β ladder)trans-131.5169.2-172.569.2-173.314.700111.7A47 V78 K79 V80 Y107A47-Q105 HydrophobicContact CB-CG 3.81Å; A47-Q105 PolarHBondContact N-O 3.11Å; A47-Q105 PolarHBondContact O-N 3.49Å; V78-Q105 HydrophobicContact CG1-CB 4.08Å; V78-Q105 HydrophobicContact CG1-CG 4.19Å; K79-Q105 CarbonylContact O-C 3.56Å; K79-Q105 VanDerWaalsContact O-CA 3.31Å; K79-Q105 WeakPolarHBondContact O-CA 3.45Å; K79-Q105 WeakPolarHBondContact O-CB 3.43Å; V80-Q105 HydrophobicContact CG2-CB 4.23Å; Q105-Y107 PolarHBondContact O-N 2.86Å
106E94.9Very high88.7Confident40 Ų4037.4 Ų37.419%0.18719%0.186CC..EExtended strand (participates in β ladder)trans-52.7131.3173.1-172.7173.4-16100110.9V78 K79 Y81 M108 K165V78-E106 HydrophobicContact CG1-CB 4.21Å; K79-E106 HydrophobicContact CB-CB 4.25Å; K79-E106 PolarHBondContact N-OE2 3.2Å; K79-E106 PolarHBondContact O-N 2.85Å; Y81-E106 HydrophobicContact CE2-CB 4.29Å; E106-M108 HydrophobicContact CG-SD 4.17Å; E106-K165 VanDerWaalsContact OE1-CE 3.29Å; E106-K165 WeakPolarHBondContact OE1-CE 3.37Å; E106-K165 IonicContact OE1-NZ 2.73Å; E106-K165 PolarHBondContact OE1-NZ 2.61Å; E106-K165 VanDerWaalsContact OE2-CD 3.26Å; E106-K165 WeakPolarHBondContact OE2-CD 3.39Å; E106-K165 WeakPolarHBondContact OE2-CE 3.33Å; E106-K165 IonicContact OE2-NZ 3.51Å; E106-K165 PolarHBondContact OE2-NZ 3.02Å
107Y95.3Very high90.1Very high64 Ų6441.4 Ų41.425%0.25120%0.204SC..  trans-78.1131.2173.1172.7-99.4000109.1L26 K45 Q105L26-Y107 HydrophobicContact CD1-CD2 4.11Å; L26-Y107 HydrophobicContact CD1-CE2 4.1Å; L26-Y107 HydrophobicContact CD2-CD2 4.5Å; L26-Y107 HydrophobicContact CD2-CE2 3.69Å; K45-Y107 HydrophobicContact CB-CD1 4.5Å; K45-Y107 HydrophobicContact CB-CG 4.42Å; K45-Y107 HydrophobicContact CD-CD1 3.84Å; K45-Y107 HydrophobicContact CD-CD2 4.2Å; K45-Y107 HydrophobicContact CD-CE1 3.83Å; K45-Y107 HydrophobicContact CD-CE2 4.22Å; K45-Y107 HydrophobicContact CD-CG 4.02Å; K45-Y107 HydrophobicContact CG-CD1 4.21Å; K45-Y107 HydrophobicContact CG-CD2 4.21Å; K45-Y107 HydrophobicContact CG-CG 3.96Å; K45-Y107 PolarHBondContact NZ-OH 3.2Å; K45-Y107 WeakPolarHBondContact O-CB 3.45Å; Q105-Y107 PolarHBondContact O-N 2.86Å
108M94.4Very high91.1Very high21 Ų2142.7 Ų42.710%0.10321%0.212CC..  trans-118142174.9-58.9-63.6-62.700109.2V78 E106 F156 K165V78-M108 HydrophobicContact CG2-CG 4.39Å; E106-M108 HydrophobicContact CG-SD 4.17Å; M108-F156 HydrophobicContact CB-CB 3.65Å; M108-F156 HydrophobicContact CB-CD1 3.91Å; M108-F156 HydrophobicContact CB-CG 4Å; M108-F156 HydrophobicContact CE-CB 3.78Å; M108-F156 HydrophobicContact CG-CB 3.52Å; M108-F156 HydrophobicContact CG-CD1 4.29Å; M108-F156 HydrophobicContact CG-CG 3.93Å; M108-F156 HydrophobicContact SD-CB 4.41Å; M108-K165 HydrophobicContact CE-CB 4.04Å; M108-K165 HydrophobicContact CE-CD 4.05Å; M108-K165 HydrophobicContact CE-CG 3.8Å; M108-K165 HydrophobicContact SD-CB 4.47Å; M108-K165 HydrophobicContact SD-CD 3.84Å; M108-K165 HydrophobicContact SD-CG 4.24Å
109E90.9Very high91.9Very high65 Ų6541.8 Ų41.830%0.30422%0.217SC..SBendtrans-67.6-48-173.9-63.1175.7167.100112.1T159E109-T159 WeakPolarHBondContact OE2-CB 3.28Å; E109-T159 PolarHBondContact OE2-N 3.39Å; E109-T159 PolarHBondContact OE2-OG1 3.33Å
110T93.4Very high92.5Very high27 Ų2741.7 Ų41.717%0.16621%0.213CC..EExtended strand (participates in β ladder)trans-145171-179.2-166.20000111.1R114 F156 I157 T159T110-R114 WeakPolarHBondContact OG1-CB 3.3Å; T110-F156 WeakPolarHBondContact O-CA 3.5Å; T110-I157 HydrophobicContact CG2-CB 4.01Å; T110-I157 PolarHBondContact N-O 3.27Å; T110-I157 PolarHBondContact O-N 2.94Å; T110-T159 HydrophobicContact CG2-CG2 3.8Å
111D95Very high93Very high19 Ų1941.7 Ų41.710%0.10221%0.212CC..EExtended strand (participates in β ladder)trans-110.3163.7166.360.377.7000110.3A113 R114 L115 I155 F156D111-A113 VanDerWaalsContact C-N 3.27Å; D111-A113 PolarHBondContact O-N 3.24Å; D111-A113 WeakPolarHBondContact OD1-CA 3.37Å; D111-A113 VanDerWaalsContact OD1-CB 3.29Å; D111-A113 WeakPolarHBondContact OD1-CB 3.45Å; D111-A113 PolarHBondContact OD1-N 3.14Å; D111-A113 VanDerWaalsContact OD1-N 3.08Å; D111-R114 PolarHBondContact O-N 3Å; D111-R114 PolarHBondContact OD1-N 2.99Å; D111-R114 VanDerWaalsContact OD2-CD 3.26Å; D111-R114 WeakPolarHBondContact OD2-CD 3.18Å; D111-R114 IonicContact OD2-CZ 3.09Å; D111-R114 IonicContact OD2-NE 2.96Å; D111-R114 PolarHBondContact OD2-NE 3.13Å; D111-L115 PolarHBondContact O-N 2.72Å; D111-L115 VanDerWaalsContact O-N 3.14Å; D111-I155 CarbonylContact C-O 3.43Å; D111-I155 VanDerWaalsContact CA-O 3.29Å; D111-I155 WeakPolarHBondContact CA-O 3.09Å; D111-F156 HydrophobicContact CB-CD1 4.16Å; D111-F156 HydrophobicContact CB-CE1 4.34Å
112L96.4Very high93.3Very high0 Ų044.3 Ų44.30%023%0.234CC..Hα-helixtrans-66.6-30-178-177.364000111.5L115 L116 L121 P152 I155 I157 I218 M222L112-L115 HydrophobicContact CD1-CD2 4.25Å; L112-L115 PolarHBondContact O-N 3.4Å; L112-L116 HydrophobicContact CD1-CD1 4.22Å; L112-L116 HydrophobicContact CD1-CG 4.17Å; L112-L116 HydrophobicContact CD2-CD1 4.41Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 HydrophobicContact CG-CG 4.24Å; L112-L116 WeakPolarHBondContact O-CB 3.19Å; L112-L116 WeakPolarHBondContact O-CD1 3.48Å; L112-L116 WeakPolarHBondContact O-CG 3.31Å; L112-L116 PolarHBondContact O-N 3.27Å; L112-L121 HydrophobicContact CD1-CD1 4.01Å; L112-P152 HydrophobicContact CB-CB 3.98Å; L112-P152 WeakPolarHBondContact CB-O 3.29Å; L112-P152 HydrophobicContact CD2-CB 4.16Å; L112-P152 HydrophobicContact CD2-CG 4.47Å; L112-P152 HydrophobicContact CG-CB 4.02Å; L112-P152 PolarHBondContact N-O 3.36Å; L112-I155 HydrophobicContact CB-CB 3.96Å; L112-I155 HydrophobicContact CB-CG2 4.09Å; L112-I155 HydrophobicContact CD2-CB 4.27Å; L112-I155 HydrophobicContact CD2-CG2 4.13Å; L112-I155 PolarHBondContact N-O 3.32Å; L112-I157 HydrophobicContact CB-CG1 4.46Å; L112-I218 HydrophobicContact CD2-CG2 3.55Å; L112-M222 HydrophobicContact CD1-CG 4.07Å; L112-M222 HydrophobicContact CD1-SD 4.1Å; L112-M222 HydrophobicContact CD2-CG 3.91Å; L112-M222 HydrophobicContact CD2-SD 3.9Å; L112-M222 HydrophobicContact CG-CG 4.47Å
113A94.2Very high93.4Very high30 Ų3047.2 Ų47.225%0.24825%0.248CC..Hα-helixtrans-63.1-48.1177.200000110.9D111 L115 L116 E117 P152 A153D111-A113 VanDerWaalsContact C-N 3.27Å; D111-A113 PolarHBondContact O-N 3.24Å; D111-A113 WeakPolarHBondContact OD1-CA 3.37Å; D111-A113 VanDerWaalsContact OD1-CB 3.29Å; D111-A113 WeakPolarHBondContact OD1-CB 3.45Å; D111-A113 PolarHBondContact OD1-N 3.14Å; D111-A113 VanDerWaalsContact OD1-N 3.08Å; A113-L115 VanDerWaalsContact C-N 3.29Å; A113-L115 PolarHBondContact O-N 3.29Å; A113-L116 PolarHBondContact O-N 3.2Å; A113-E117 PolarHBondContact O-N 3.39Å; A113-E117 VanDerWaalsContact O-N 3.09Å; A113-P152 HydrophobicContact CB-CB 3.9Å; A113-P152 PolarHBondContact N-O 3.31Å; A113-A153 HydrophobicContact CB-CB 4.16Å
114R92.8Very high93.6Very high102 Ų10251.9 Ų51.939%0.38527%0.27SS..Hα-helixtrans-61.9-35.6174.7-72.2179.1-177.5169.14.2113.1L26 T110 D111 L116 E117L26-R114 PolarHBondContact O-NH2 3.44Å; T110-R114 WeakPolarHBondContact OG1-CB 3.3Å; D111-R114 PolarHBondContact O-N 3Å; D111-R114 PolarHBondContact OD1-N 2.99Å; D111-R114 VanDerWaalsContact OD2-CD 3.26Å; D111-R114 WeakPolarHBondContact OD2-CD 3.18Å; D111-R114 IonicContact OD2-CZ 3.09Å; D111-R114 IonicContact OD2-NE 2.96Å; D111-R114 PolarHBondContact OD2-NE 3.13Å; R114-L116 VanDerWaalsContact C-N 3.35Å; R114-E117 PolarHBondContact O-N 3.45Å
115L93.6Very high93.7Very high32 Ų3255.8 Ų55.817%0.16829%0.288CS..Hα-helixtrans-66.2-41.1176.6-170.564.9000110.9D111 L112 A113 E117 Q118 L121 F129D111-L115 PolarHBondContact O-N 2.72Å; D111-L115 VanDerWaalsContact O-N 3.14Å; L112-L115 HydrophobicContact CD1-CD2 4.25Å; L112-L115 PolarHBondContact O-N 3.4Å; A113-L115 VanDerWaalsContact C-N 3.29Å; A113-L115 PolarHBondContact O-N 3.29Å; L115-E117 VanDerWaalsContact C-N 3.32Å; L115-E117 PolarHBondContact O-N 3.47Å; L115-Q118 WeakPolarHBondContact O-CB 3.46Å; L115-Q118 PolarHBondContact O-N 3.14Å; L115-Q118 VanDerWaalsContact O-N 3.13Å; L115-L121 HydrophobicContact CD2-CD1 4.24Å; L115-L121 HydrophobicContact CD2-CD2 3.67Å; L115-L121 HydrophobicContact CG-CD2 3.86Å; L115-F129 HydrophobicContact CD2-CE2 4.25Å
116L94.4Very high93.8Very high15 Ų1554.4 Ų54.48%0.07928%0.281CS..Hα-helixtrans-73-20.4179.6-66.4166.5000113.7L112 A113 R114 Q118 G119 L121 P152 E221L112-L116 HydrophobicContact CD1-CD1 4.22Å; L112-L116 HydrophobicContact CD1-CG 4.17Å; L112-L116 HydrophobicContact CD2-CD1 4.41Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 HydrophobicContact CG-CG 4.24Å; L112-L116 WeakPolarHBondContact O-CB 3.19Å; L112-L116 WeakPolarHBondContact O-CD1 3.48Å; L112-L116 WeakPolarHBondContact O-CG 3.31Å; L112-L116 PolarHBondContact O-N 3.27Å; A113-L116 PolarHBondContact O-N 3.2Å; R114-L116 VanDerWaalsContact C-N 3.35Å; L116-Q118 PolarHBondContact O-N 2.95Å; L116-G119 PolarHBondContact O-N 3.16Å; L116-G119 VanDerWaalsContact O-N 3.14Å; L116-L121 HydrophobicContact CD2-CG 4.18Å; L116-P152 HydrophobicContact CD1-CB 4.18Å; L116-P152 HydrophobicContact CD1-CG 4.21Å; L116-E221 HydrophobicContact CD1-CG 3.91Å
117E92.3Very high94Very high123 Ų12353.1 Ų53.158%0.57528%0.275SS*.THydrogen-bonded Turntrans-61.5-24.3168.2-71.7175.4-176.400112.4A113 R114 L115A113-E117 PolarHBondContact O-N 3.39Å; A113-E117 VanDerWaalsContact O-N 3.09Å; R114-E117 PolarHBondContact O-N 3.45Å; L115-E117 VanDerWaalsContact C-N 3.32Å; L115-E117 PolarHBondContact O-N 3.47Å
118Q89.3Confident94.1Very high166 Ų16651.6 Ų51.678%0.77627%0.271SS*.THydrogen-bonded Turntrans-84.3-14.7178-54.5-178.13.100112.8L115 L116L115-Q118 WeakPolarHBondContact O-CB 3.46Å; L115-Q118 PolarHBondContact O-N 3.14Å; L115-Q118 VanDerWaalsContact O-N 3.13Å; L116-Q118 PolarHBondContact O-N 2.95Å
119G87.8Confident94.3Very high32 Ų3250.8 Ų50.833%0.3327%0.267SS..  trans137.3-175179.900000113.3L116L116-G119 PolarHBondContact O-N 3.16Å; L116-G119 VanDerWaalsContact O-N 3.14Å
120T92Very high94.7Very high83 Ų8347.7 Ų47.751%0.50925%0.253SS..PPolyproline II helixtrans-69154176800000110.3T224T120-T224 WeakPolarHBondContact CG2-O 3.32Å
121L94.9Very high94.9Very high22 Ų2247.2 Ų47.212%0.11525%0.248CC..PPolyproline II helixtrans-83.9152.7172-58.5-173.4000110.8L112 L115 L116 H125 A126 F129 M222L112-L121 HydrophobicContact CD1-CD1 4.01Å; L115-L121 HydrophobicContact CD2-CD1 4.24Å; L115-L121 HydrophobicContact CD2-CD2 3.67Å; L115-L121 HydrophobicContact CG-CD2 3.86Å; L116-L121 HydrophobicContact CD2-CG 4.18Å; L121-H125 HydrophobicContact CB-CB 4.49Å; L121-A126 HydrophobicContact CB-CB 4.4Å; L121-F129 HydrophobicContact CD1-CD2 3.7Å; L121-F129 HydrophobicContact CD1-CE2 3.89Å; L121-M222 HydrophobicContact CD1-CB 4.16Å; L121-M222 HydrophobicContact CD1-CG 4Å; L121-M222 HydrophobicContact CD1-SD 4.03Å; L121-M222 PolarHBondContact N-O 3.11Å
122A94.9Very high95.1Very high57 Ų5747.1 Ų47.147%0.47125%0.247SC..PPolyproline II helixtrans-61143.6163.800000109.3E124 H125 A126A122-E124 PolarHBondContact O-N 2.87Å; A122-H125 PolarHBondContact O-N 3.09Å; A122-A126 PolarHBondContact O-N 3.16Å
123E94.9Very high95.2Very high65 Ų6547.1 Ų47.130%0.30425%0.247SC..Hα-helixtrans-55.1-41.1-174.2-166.4-157.711800112.4H125 A126 K127 L223 N282E123-H125 VanDerWaalsContact C-N 3.32Å; E123-H125 PolarHBondContact O-N 2.83Å; E123-A126 PolarHBondContact O-N 3.3Å; E123-K127 VanDerWaalsContact O-CB 3.31Å; E123-K127 WeakPolarHBondContact O-CB 3.18Å; E123-K127 PolarHBondContact O-N 3.36Å; E123-K127 WeakPolarHBondContact OE1-CE 3.39Å; E123-K127 IonicContact OE1-NZ 3.39Å; E123-K127 PolarHBondContact OE1-NZ 3.16Å; E123-L223 HydrophobicContact CB-CD2 4.49Å; E123-L223 HydrophobicContact CG-CD2 3.95Å; E123-N282 PolarHBondContact OE1-ND2 3.29Å; E123-N282 PolarHBondContact OE2-ND2 3Å
124E95.4Very high95.4Very high98 Ų9845.7 Ų45.746%0.45824%0.235SC..Hα-helixtrans-64.5-35.8179.7-59.4-55.9163.700112.9A122 K127 L128 Y315A122-E124 PolarHBondContact O-N 2.87Å; E124-K127 IonicContact OE1-NZ 2.78Å; E124-K127 PolarHBondContact OE1-NZ 3.23Å; E124-K127 IonicContact OE2-NZ 3.98Å; E124-K127 PolarHBondContact OE2-NZ 3.19Å; E124-L128 WeakPolarHBondContact O-CB 3.07Å; E124-L128 PolarHBondContact O-N 3.25Å; E124-Y315 PolarHBondContact O-OH 3.23Å
125H96.3Very high95.7Very high82 Ų8241.3 Ų41.338%0.3822%0.219SC..Hα-helixtrans-69.8-42.7173.4-59.7146.1000111.2L121 A122 E123 K127 L128 F129L121-H125 HydrophobicContact CB-CB 4.49Å; A122-H125 PolarHBondContact O-N 3.09Å; E123-H125 VanDerWaalsContact C-N 3.32Å; E123-H125 PolarHBondContact O-N 2.83Å; H125-K127 VanDerWaalsContact C-N 3.31Å; H125-K127 PolarHBondContact O-N 2.96Å; H125-L128 PolarHBondContact O-N 3.07Å; H125-F129 HydrophobicContact CB-CE2 4.38Å; H125-F129 WeakPolarHBondContact O-CB 3.48Å; H125-F129 WeakPolarHBondContact O-CD2 3.49Å; H125-F129 VanDerWaalsContact O-CG 3.3Å; H125-F129 WeakPolarHBondContact O-CG 3.31Å; H125-F129 PolarHBondContact O-N 3.2Å
126A97.5Very high95.9Very high0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-61.6-39.9176.400000111.8L121 A122 E123 M130 L219 M222 L223L121-A126 HydrophobicContact CB-CB 4.4Å; A122-A126 PolarHBondContact O-N 3.16Å; E123-A126 PolarHBondContact O-N 3.3Å; A126-M130 VanDerWaalsContact O-CB 3.25Å; A126-M130 WeakPolarHBondContact O-CB 3.41Å; A126-M130 PolarHBondContact O-N 2.96Å; A126-L219 HydrophobicContact CB-CD1 4.47Å; A126-M222 HydrophobicContact CB-CB 3.79Å; A126-M222 WeakPolarHBondContact O-CE 3.46Å; A126-L223 HydrophobicContact CB-CD2 3.71Å; A126-L223 HydrophobicContact CB-CG 4.18Å
127K97.8Very high96.1Very high12 Ų1239.1 Ų39.15%0.05221%0.207CC..Hα-helixtrans-65.2-48.3175.5-169.9-175-67.3148.90111.5E123 E124 H125 M130 Y131 Y311 P314 Y315E123-K127 VanDerWaalsContact O-CB 3.31Å; E123-K127 WeakPolarHBondContact O-CB 3.18Å; E123-K127 PolarHBondContact O-N 3.36Å; E123-K127 WeakPolarHBondContact OE1-CE 3.39Å; E123-K127 IonicContact OE1-NZ 3.39Å; E123-K127 PolarHBondContact OE1-NZ 3.16Å; E124-K127 IonicContact OE1-NZ 2.78Å; E124-K127 PolarHBondContact OE1-NZ 3.23Å; E124-K127 IonicContact OE2-NZ 3.98Å; E124-K127 PolarHBondContact OE2-NZ 3.19Å; H125-K127 VanDerWaalsContact C-N 3.31Å; H125-K127 PolarHBondContact O-N 2.96Å; K127-M130 PolarHBondContact O-N 2.94Å; K127-Y131 PolarHBondContact O-N 3.36Å; K127-Y311 HydrophobicContact CB-CE1 4.38Å; K127-Y311 HydrophobicContact CD-CE2 4.35Å; K127-Y311 VanDerWaalsContact CD-O 3.31Å; K127-Y311 WeakPolarHBondContact CD-O 3.38Å; K127-Y311 VanDerWaalsContact CE-CE2 3.41Å; K127-Y311 HydrophobicContact CG-CE1 4.1Å; K127-Y311 HydrophobicContact CG-CE2 4.23Å; K127-Y311 WeakPolarHBondContact CG-O 3.29Å; K127-P314 HydrophobicContact CD-CG 4.25Å; K127-Y315 HydrophobicContact CB-CE2 4.13Å; K127-Y315 HydrophobicContact CD-CD2 4.39Å; K127-Y315 HydrophobicContact CD-CE2 3.89Å; K127-Y315 HydrophobicContact CG-CD2 4.14Å; K127-Y315 HydrophobicContact CG-CE2 3.8Å
128L97.8Very high96.4Very high32 Ų3234.2 Ų34.217%0.16818%0.184CC..Hα-helixtrans-59.5-47.6176174.560.8000112E124 H125 Y131 Q132 L162 Y315E124-L128 WeakPolarHBondContact O-CB 3.07Å; E124-L128 PolarHBondContact O-N 3.25Å; H125-L128 PolarHBondContact O-N 3.07Å; L128-Y131 WeakPolarHBondContact O-CB 3.4Å; L128-Y131 PolarHBondContact O-N 3.44Å; L128-Q132 HydrophobicContact CD1-CG 4.5Å; L128-Q132 WeakPolarHBondContact O-CG 3.28Å; L128-Q132 PolarHBondContact O-N 3.42Å; L128-L162 HydrophobicContact CD2-CB 4.13Å; L128-Y315 HydrophobicContact CB-CE1 4.32Å; L128-Y315 HydrophobicContact CB-CE2 4.02Å; L128-Y315 HydrophobicContact CD1-CD1 3.93Å; L128-Y315 HydrophobicContact CD1-CE1 3.81Å; L128-Y315 HydrophobicContact CD1-CG 4.39Å
129F98.5Very high96.8Very high5 Ų527.6 Ų27.62%0.02215%0.152CC..Hα-helixtrans-66.5-37.6178-68.8-27000111.9L115 L121 H125 Q132 L133 I157 L162 L164 M222L115-F129 HydrophobicContact CD2-CE2 4.25Å; L121-F129 HydrophobicContact CD1-CD2 3.7Å; L121-F129 HydrophobicContact CD1-CE2 3.89Å; H125-F129 HydrophobicContact CB-CE2 4.38Å; H125-F129 WeakPolarHBondContact O-CB 3.48Å; H125-F129 WeakPolarHBondContact O-CD2 3.49Å; H125-F129 VanDerWaalsContact O-CG 3.3Å; H125-F129 WeakPolarHBondContact O-CG 3.31Å; H125-F129 PolarHBondContact O-N 3.2Å; F129-Q132 PolarHBondContact O-N 3.22Å; F129-L133 WeakPolarHBondContact O-CB 3.37Å; F129-L133 PolarHBondContact O-N 3.47Å; F129-I157 HydrophobicContact CD1-CD1 4.22Å; F129-I157 HydrophobicContact CD2-CD1 4.34Å; F129-I157 HydrophobicContact CE1-CD1 4.14Å; F129-I157 HydrophobicContact CE1-CG2 4.21Å; F129-I157 HydrophobicContact CE2-CD1 4.25Å; F129-I157 HydrophobicContact CE2-CG2 4.48Å; F129-I157 HydrophobicContact CG-CD1 4.34Å; F129-I157 HydrophobicContact CZ-CD1 4.16Å; F129-I157 HydrophobicContact CZ-CG2 3.79Å; F129-L162 HydrophobicContact CZ-CD2 4.4Å; F129-L164 HydrophobicContact CB-CD1 3.72Å; F129-L164 HydrophobicContact CD1-CB 4.01Å; F129-L164 HydrophobicContact CD1-CD1 4.42Å; F129-L164 HydrophobicContact CG-CD1 4.23Å; F129-L164 WeakPolarHBondContact O-CD1 3.29Å; F129-M222 HydrophobicContact CB-CE 4.31Å; F129-M222 HydrophobicContact CB-SD 3.84Å; F129-M222 HydrophobicContact CD2-SD 4.27Å
130M98.6Very high97.3Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-65.1-41.1174.1-172.464.1-168.800112.1A126 K127 Q132 L133 L134 A215 L219 M222 F288 I292 M312A126-M130 VanDerWaalsContact O-CB 3.25Å; A126-M130 WeakPolarHBondContact O-CB 3.41Å; A126-M130 PolarHBondContact O-N 2.96Å; K127-M130 PolarHBondContact O-N 2.94Å; M130-Q132 PolarHBondContact O-N 3.22Å; M130-L133 PolarHBondContact O-N 3.46Å; M130-L133 HydrophobicContact SD-CD2 4.07Å; M130-L134 HydrophobicContact CE-CD1 4.07Å; M130-L134 HydrophobicContact CE-CD2 3.58Å; M130-L134 HydrophobicContact CE-CG 3.69Å; M130-L134 HydrophobicContact CG-CD1 4.48Å; M130-L134 HydrophobicContact CG-CG 4.48Å; M130-L134 VanDerWaalsContact O-CG 3.31Å; M130-L134 WeakPolarHBondContact O-CG 3.36Å; M130-L134 PolarHBondContact O-N 3.34Å; M130-A215 HydrophobicContact CE-CB 3.75Å; M130-A215 HydrophobicContact SD-CB 4.43Å; M130-L219 HydrophobicContact CB-CD1 3.99Å; M130-L219 HydrophobicContact CG-CB 4.35Å; M130-L219 HydrophobicContact CG-CD1 4.22Å; M130-L219 HydrophobicContact CG-CD2 4.14Å; M130-L219 HydrophobicContact CG-CG 4.46Å; M130-L219 HydrophobicContact SD-CB 3.86Å; M130-M222 HydrophobicContact CB-CE 4.14Å; M130-F288 HydrophobicContact CE-CE1 3.66Å; M130-F288 HydrophobicContact CE-CZ 3.78Å; M130-F288 HydrophobicContact CG-CE1 4.36Å; M130-I292 HydrophobicContact CE-CD1 3.72Å; M130-M312 HydrophobicContact CB-CE 3.84Å; M130-M312 HydrophobicContact CG-CE 3.28Å
131Y98.6Very high97.5Very high16 Ų1622.7 Ų22.76%0.06311%0.114CC..Hα-helixtrans-56.3-50.4172.7170.7-100.6000111.3K127 L128 L133 L134 R135 L307 Y315K127-Y131 PolarHBondContact O-N 3.36Å; L128-Y131 WeakPolarHBondContact O-CB 3.4Å; L128-Y131 PolarHBondContact O-N 3.44Å; Y131-L133 VanDerWaalsContact C-N 3.34Å; Y131-L133 PolarHBondContact O-N 2.81Å; Y131-L134 PolarHBondContact O-N 3.24Å; Y131-R135 WeakPolarHBondContact O-CB 3.49Å; Y131-R135 PolarHBondContact O-N 3.5Å; Y131-L307 HydrophobicContact CD2-CD2 3.48Å; Y131-L307 VanDerWaalsContact CD2-CD2 3.48Å; Y131-L307 HydrophobicContact CE2-CD2 3.47Å; Y131-L307 VanDerWaalsContact CE2-CD2 3.47Å; Y131-L307 HydrophobicContact CG-CD2 4.44Å; Y131-Y315 HydrophobicContact CD1-CG 4.48Å; Y131-Y315 WeakPolarHBondContact CE2-O 3.48Å; Y131-Y315 HydrophobicContact CG-CG 4.4Å; Y131-Y315 PolarHBondContact OH-O 2.93Å
132Q98.6Very high97.5Very high17 Ų1723.1 Ų23.18%0.07912%0.119CC..Hα-helixtrans-62.1-38.7178-73.6-174.976.700113N76 L128 F129 M130 R135 G136 L162 L164N76-Q132 WeakPolarHBondContact CB-O 3.34Å; N76-Q132 WeakPolarHBondContact ND2-CB 3.41Å; N76-Q132 PolarHBondContact ND2-OE1 3.14Å; L128-Q132 HydrophobicContact CD1-CG 4.5Å; L128-Q132 WeakPolarHBondContact O-CG 3.28Å; L128-Q132 PolarHBondContact O-N 3.42Å; F129-Q132 PolarHBondContact O-N 3.22Å; M130-Q132 PolarHBondContact O-N 3.22Å; Q132-R135 PolarHBondContact O-N 2.91Å; Q132-G136 PolarHBondContact O-N 2.72Å; Q132-L162 PolarHBondContact NE2-O 2.8Å; Q132-L164 HydrophobicContact CB-CB 3.91Å; Q132-L164 HydrophobicContact CB-CD2 4.39Å
133L98.8Very high97.5Very high1 Ų120.4 Ų20.41%0.00510%0.097CC..Hα-helixtrans-63.1-45.3174.817757.8000111.2F129 M130 Y131 G136 L137 I155 L164 I166 A215 I218F129-L133 WeakPolarHBondContact O-CB 3.37Å; F129-L133 PolarHBondContact O-N 3.47Å; M130-L133 PolarHBondContact O-N 3.46Å; M130-L133 HydrophobicContact SD-CD2 4.07Å; Y131-L133 VanDerWaalsContact C-N 3.34Å; Y131-L133 PolarHBondContact O-N 2.81Å; L133-G136 PolarHBondContact O-N 2.88Å; L133-L137 HydrophobicContact CD1-CD1 4.31Å; L133-L137 HydrophobicContact CD1-CG 4.41Å; L133-L137 HydrophobicContact CG-CD1 4.31Å; L133-L137 WeakPolarHBondContact O-CB 3.1Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 2.88Å; L133-I155 HydrophobicContact CD1-CD1 3.82Å; L133-L164 HydrophobicContact CB-CD1 4.35Å; L133-L164 HydrophobicContact CB-CD2 4.17Å; L133-I166 HydrophobicContact CD1-CD1 3.81Å; L133-I166 HydrophobicContact CD1-CG1 3.82Å; L133-A215 HydrophobicContact CD2-CB 3.78Å; L133-A215 HydrophobicContact CG-CB 4.31Å; L133-I218 HydrophobicContact CD2-CD1 4.37Å; L133-I218 HydrophobicContact CD2-CG2 4.34Å
134L98.8Very high97.4Very high0 Ų019.8 Ų19.80%010%0.096CC..Hα-helixtrans-66.1-39.9176.6-69.5-179.1000112.5M130 Y131 L137 K138 M212 F288 L307 M312M130-L134 HydrophobicContact CE-CD1 4.07Å; M130-L134 HydrophobicContact CE-CD2 3.58Å; M130-L134 HydrophobicContact CE-CG 3.69Å; M130-L134 HydrophobicContact CG-CD1 4.48Å; M130-L134 HydrophobicContact CG-CG 4.48Å; M130-L134 VanDerWaalsContact O-CG 3.31Å; M130-L134 WeakPolarHBondContact O-CG 3.36Å; M130-L134 PolarHBondContact O-N 3.34Å; Y131-L134 PolarHBondContact O-N 3.24Å; L134-L137 PolarHBondContact O-N 3.4Å; L134-K138 WeakPolarHBondContact O-CB 3.22Å; L134-K138 PolarHBondContact O-N 2.82Å; L134-M212 HydrophobicContact CD2-CE 3.53Å; L134-M212 HydrophobicContact CD2-SD 4.41Å; L134-F288 HydrophobicContact CD1-CE2 4.23Å; L134-F288 HydrophobicContact CD1-CZ 3.86Å; L134-L307 HydrophobicContact CB-CD2 3.74Å; L134-L307 HydrophobicContact CB-CG 3.87Å; L134-M312 HydrophobicContact CD1-CE 3.73Å; L134-M312 HydrophobicContact CD1-CG 4.3Å; L134-M312 HydrophobicContact CD1-SD 4.45Å
135R98.6Very high97.3Very high10 Ų1015.1 Ų15.14%0.0387%0.074CC..Hα-helixtrans-59.6-48.8175.1-171.4-175.2172.8-101.12.2110.8H74 D75 N76 Y131 Q132 L137 K138 Y139 L307 D320 E321H74-R135 PolarHBondContact CE1-NH1 2.84Å; H74-R135 PolarHBondContact NE2-NH1 3.42Å; D75-R135 IonicContact OD2-CZ 2.65Å; D75-R135 IonicContact OD2-NH1 3.5Å; D75-R135 PolarHBondContact OD2-NH1 3.33Å; D75-R135 IonicContact OD2-NH2 2.68Å; D75-R135 PolarHBondContact OD2-NH2 3.09Å; D75-R135 VanDerWaalsContact OD2-NH2 3.09Å; N76-R135 WeakPolarHBondContact OD1-CD 3.32Å; N76-R135 PolarHBondContact OD1-NH1 3.48Å; Y131-R135 WeakPolarHBondContact O-CB 3.49Å; Y131-R135 PolarHBondContact O-N 3.5Å; Q132-R135 PolarHBondContact O-N 2.91Å; R135-L137 PolarHBondContact O-N 3.03Å; R135-K138 WeakPolarHBondContact O-CB 3.13Å; R135-K138 PolarHBondContact O-N 3.32Å; R135-Y139 PolarHBondContact O-N 3.03Å; R135-L307 HydrophobicContact CB-CD2 4.44Å; R135-D320 VanDerWaalsContact CZ-O 3.26Å; R135-D320 IonicContact CZ-OD1 3.06Å; R135-D320 PolarHBondContact NE-O 2.83Å; R135-D320 IonicContact NE-OD2 3.41Å; R135-D320 PolarHBondContact NH2-O 3.41Å; R135-D320 VanDerWaalsContact NH2-O 3.11Å; R135-D320 IonicContact NH2-OD1 3.65Å; R135-D320 PolarHBondContact NH2-OD1 3.26Å; R135-D320 IonicContact NH2-OD2 3.34Å; R135-E321 HydrophobicContact CG-CG 4.49Å
136G98.5Very high97.1Very high0 Ų011.3 Ų11.30%06%0.056CC..Hα-helixtrans-60.4-42.3173.300000113Q132 L133 Y139 I140Q132-G136 PolarHBondContact O-N 2.72Å; L133-G136 PolarHBondContact O-N 2.88Å; G136-Y139 WeakPolarHBondContact O-CB 3.47Å; G136-Y139 PolarHBondContact O-N 3.45Å; G136-I140 VanDerWaalsContact O-CG1 3.3Å; G136-I140 WeakPolarHBondContact O-CG1 3.33Å; G136-I140 PolarHBondContact O-N 3.41Å
137L98.5Very high96.9Very high0 Ų011.3 Ų11.30%06%0.056CC..Hα-helixtrans-65.5-38.8177.1-81.1177.6000113.2L133 L134 R135 Y139 I140 H141 L150 I166 D211 M212 A215 A303L133-L137 HydrophobicContact CD1-CD1 4.31Å; L133-L137 HydrophobicContact CD1-CG 4.41Å; L133-L137 HydrophobicContact CG-CD1 4.31Å; L133-L137 WeakPolarHBondContact O-CB 3.1Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 3.4Å; R135-L137 PolarHBondContact O-N 3.03Å; L137-Y139 VanDerWaalsContact C-N 3.27Å; L137-Y139 PolarHBondContact O-N 3.12Å; L137-I140 HydrophobicContact CD2-CD1 4.42Å; L137-I140 PolarHBondContact O-N 2.8Å; L137-H141 WeakPolarHBondContact O-CB 3.37Å; L137-H141 PolarHBondContact O-N 2.83Å; L137-L150 HydrophobicContact CD1-CD1 3.97Å; L137-L150 HydrophobicContact CD2-CD1 3.87Å; L137-L150 HydrophobicContact CG-CD1 4.36Å; L137-I166 HydrophobicContact CD2-CD1 4.47Å; L137-I166 HydrophobicContact CG-CD1 4.25Å; L137-D211 HydrophobicContact CD2-CB 4.09Å; L137-M212 HydrophobicContact CD1-SD 4.1Å; L137-A215 HydrophobicContact CD1-CB 4.02Å; L137-A303 HydrophobicContact CB-CB 4.06Å
138K98.3Very high96.5Very high21 Ų2112.2 Ų12.29%0.0916%0.059CC..Hα-helixtrans-56.2-44.6173.2-176-169.8-1721790110.5L134 R135 S142 A303 L307 E321 T323L134-K138 WeakPolarHBondContact O-CB 3.22Å; L134-K138 PolarHBondContact O-N 2.82Å; R135-K138 WeakPolarHBondContact O-CB 3.13Å; R135-K138 PolarHBondContact O-N 3.32Å; K138-S142 VanDerWaalsContact O-CB 3.31Å; K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.23Å; K138-S142 PolarHBondContact O-OG 3.42Å; K138-A303 HydrophobicContact CB-CB 3.99Å; K138-L307 HydrophobicContact CB-CD1 4.09Å; K138-L307 HydrophobicContact CD-CD1 3.71Å; K138-L307 HydrophobicContact CG-CD1 4.41Å; K138-E321 HydrophobicContact CD-CB 4.03Å; K138-E321 VanDerWaalsContact CE-O 3.31Å; K138-E321 WeakPolarHBondContact CE-O 3.19Å; K138-E321 PolarHBondContact NZ-O 3.33Å; K138-E321 IonicContact NZ-OE2 3.89Å; K138-E321 PolarHBondContact NZ-OE2 2.8Å; K138-T323 HydrophobicContact CG-CG2 4.37Å
139Y98.2Very high96.1Very high26 Ų2611.2 Ų11.210%0.1025%0.054CC..Hα-helixtrans-64.6-49.6176.3-172.9-89.8000112.5L72 D73 H74 I77 R135 G136 L137 H141 S142 A143L72-Y139 HydrophobicContact CB-CE1 4.37Å; L72-Y139 HydrophobicContact CD2-CD1 4.22Å; L72-Y139 HydrophobicContact CD2-CE1 3.82Å; D73-Y139 PolarHBondContact O-OH 2.64Å; H74-Y139 HydrophobicContact CB-CD1 3.84Å; H74-Y139 HydrophobicContact CB-CD2 4.28Å; H74-Y139 HydrophobicContact CB-CE1 4.14Å; H74-Y139 HydrophobicContact CB-CG 3.91Å; H74-Y139 AromaticContact CD2-CD2 3.66Å; H74-Y139 AromaticContact CD2-CG 3.64Å; H74-Y139 AromaticContact CG-CG 3.91Å; I77-Y139 HydrophobicContact CD1-CD1 3.63Å; I77-Y139 HydrophobicContact CD1-CE1 4.26Å; R135-Y139 PolarHBondContact O-N 3.03Å; G136-Y139 WeakPolarHBondContact O-CB 3.47Å; G136-Y139 PolarHBondContact O-N 3.45Å; L137-Y139 VanDerWaalsContact C-N 3.27Å; L137-Y139 PolarHBondContact O-N 3.12Å; Y139-H141 PolarHBondContact O-N 3.32Å; Y139-S142 PolarHBondContact O-N 3.39Å; Y139-S142 PolarHBondContact O-OG 3.1Å; Y139-A143 PolarHBondContact O-N 2.91Å; Y139-A143 VanDerWaalsContact O-N 3.11Å
140I97.2Very high96Very high0 Ų011.1 Ų11.10%05%0.054CC..Hα-helixtrans-60.4-45.7179.1-66.4166.4000111L72 I77 G136 L137 A143 V145 I166 F169L72-I140 HydrophobicContact CD1-CG1 4.41Å; I77-I140 HydrophobicContact CD1-CD1 3.99Å; I77-I140 HydrophobicContact CD1-CG1 3.53Å; I77-I140 HydrophobicContact CG1-CD1 4.27Å; I77-I140 HydrophobicContact CG1-CG1 4.34Å; G136-I140 VanDerWaalsContact O-CG1 3.3Å; G136-I140 WeakPolarHBondContact O-CG1 3.33Å; G136-I140 PolarHBondContact O-N 3.41Å; L137-I140 HydrophobicContact CD2-CD1 4.42Å; L137-I140 PolarHBondContact O-N 2.8Å; I140-A143 WeakPolarHBondContact O-CB 3.26Å; I140-A143 PolarHBondContact O-N 3.21Å; I140-V145 HydrophobicContact CG2-CB 3.83Å; I140-V145 HydrophobicContact CG2-CG1 3.91Å; I140-V145 WeakPolarHBondContact CG2-O 3.41Å; I140-V145 PolarHBondContact O-N 3.02Å; I140-V145 VanDerWaalsContact O-N 3.1Å; I140-I166 HydrophobicContact CD1-CB 4.47Å; I140-I166 HydrophobicContact CD1-CD1 3.72Å; I140-I166 HydrophobicContact CD1-CG2 4.2Å; I140-F169 HydrophobicContact CD1-CE1 3.92Å; I140-F169 HydrophobicContact CD1-CZ 3.85Å; I140-F169 HydrophobicContact CG1-CE1 4.29Å; I140-F169 HydrophobicContact CG1-CZ 4.41Å
141H96.5Very high95.8Very high12 Ų1212.4 Ų12.46%0.0566%0.06CC..Hα-helixtrans-72.1-34.9-176.8-73.2-177.8000112.5L137 Y139 A143 N144 V145 K208 D211L137-H141 WeakPolarHBondContact O-CB 3.37Å; L137-H141 PolarHBondContact O-N 2.83Å; Y139-H141 PolarHBondContact O-N 3.32Å; H141-A143 PolarHBondContact O-N 3.4Å; H141-N144 PolarHBondContact O-N 3.3Å; H141-N144 VanDerWaalsContact O-N 3.08Å; H141-V145 PolarHBondContact CD2-O 3.38Å; H141-K208 HydrophobicContact CB-CD 3.91Å; H141-K208 HydrophobicContact CB-CG 4.17Å; H141-K208 PolarHBondContact CE1-O 3.41Å; H141-K208 VanDerWaalsContact CE1-O 3.26Å; H141-K208 WeakPolarHBondContact O-CE 3.38Å; H141-K208 PolarHBondContact O-NZ 3.3Å; H141-D211 IonicContact CD2-OD2 3.54Å; H141-D211 IonicContact NE2-OD2 3.65Å; H141-D211 PolarHBondContact NE2-OD2 3.14Å
142S96.1Very high95.7Very high31 Ų3111.8 Ų11.822%0.2176%0.057CC..Hα-helixtrans-68.1-26.1171.4560000112.3K138 Y139 N144 T323 S324K138-S142 VanDerWaalsContact O-CB 3.31Å; K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.23Å; K138-S142 PolarHBondContact O-OG 3.42Å; Y139-S142 PolarHBondContact O-N 3.39Å; Y139-S142 PolarHBondContact O-OG 3.1Å; S142-N144 PolarHBondContact O-N 3.16Å; S142-T323 WeakPolarHBondContact OG-CA 3.41Å; S142-T323 WeakPolarHBondContact OG-CB 3.14Å; S142-S324 PolarHBondContact OG-N 3.3Å
143A94.8Very high95.4Very high0 Ų013 Ų130%07%0.071CC..THydrogen-bonded Turntrans-73.20.1169.400000113.8L72 Y139 I140 H141 V145 P327 F328L72-A143 HydrophobicContact CD2-CB 4.05Å; Y139-A143 PolarHBondContact O-N 2.91Å; Y139-A143 VanDerWaalsContact O-N 3.11Å; I140-A143 WeakPolarHBondContact O-CB 3.26Å; I140-A143 PolarHBondContact O-N 3.21Å; H141-A143 PolarHBondContact O-N 3.4Å; A143-V145 VanDerWaalsContact C-N 3.29Å; A143-V145 HydrophobicContact CB-CG2 4.27Å; A143-V145 PolarHBondContact O-N 2.76Å; A143-P327 WeakPolarHBondContact O-CA 3.38Å; A143-F328 HydrophobicContact CB-CD2 4.17Å; A143-F328 HydrophobicContact CB-CE2 4.38Å; A143-F328 WeakPolarHBondContact O-CD2 3.22Å; A143-F328 PolarHBondContact O-N 3.28Å
144N92.9Very high95.2Very high53 Ų5313.4 Ų13.428%0.2837%0.073SC..THydrogen-bonded Turntrans57.737.1-169.8-70.1-25.1000113.6H141 S142 I174 V175 K208H141-N144 PolarHBondContact O-N 3.3Å; H141-N144 VanDerWaalsContact O-N 3.08Å; S142-N144 PolarHBondContact O-N 3.16Å; N144-I174 CarbonylContact O-C 3.57Å; N144-I174 WeakPolarHBondContact O-CA 3.49Å; N144-V175 HydrophobicContact CB-CB 4.31Å; N144-V175 PolarHBondContact O-N 2.89Å; N144-K208 PolarHBondContact OD1-NZ 3.14Å; N144-K208 VanDerWaalsContact OD1-NZ 3.08Å
145V92.6Very high95.2Very high0 Ų013.4 Ų13.40%07%0.073CC..EExtended strand (participates in β ladder)trans-108.4143.7172.4177.10000109.7I68 I140 H141 A143 A172 R173 F328I68-V145 HydrophobicContact CD1-CG1 4.27Å; I68-V145 HydrophobicContact CG2-CG1 3.93Å; I68-V145 HydrophobicContact CG2-CG2 4.29Å; I140-V145 HydrophobicContact CG2-CB 3.83Å; I140-V145 HydrophobicContact CG2-CG1 3.91Å; I140-V145 WeakPolarHBondContact CG2-O 3.41Å; I140-V145 PolarHBondContact O-N 3.02Å; I140-V145 VanDerWaalsContact O-N 3.1Å; H141-V145 PolarHBondContact CD2-O 3.38Å; A143-V145 VanDerWaalsContact C-N 3.29Å; A143-V145 HydrophobicContact CB-CG2 4.27Å; A143-V145 PolarHBondContact O-N 2.76Å; V145-A172 HydrophobicContact CG1-CB 4.19Å; V145-R173 CarbonylContact C-O 3.52Å; V145-R173 WeakPolarHBondContact CA-O 3.37Å; V145-F328 HydrophobicContact CG2-CD2 3.38Å; V145-F328 HydrophobicContact CG2-CE2 3.67Å; V145-F328 HydrophobicContact CG2-CG 4.18Å
146L91.9Very high95.1Very high2 Ų215.1 Ų15.11%0.018%0.081CC..EExtended strand (participates in β ladder)trans-108.7136.6165.4-55-179.4000109R148 A172 R173 V175 K208 I210L146-R148 HydrophobicContact CB-CG 3.76Å; L146-A172 CarbonylContact O-C 3.55Å; L146-A172 WeakPolarHBondContact O-CA 3.31Å; L146-A172 WeakPolarHBondContact O-CB 3.3Å; L146-R173 PolarHBondContact N-O 3.19Å; L146-R173 PolarHBondContact O-N 3.2Å; L146-V175 HydrophobicContact CD1-CG2 3.92Å; L146-V175 HydrophobicContact CD2-CG2 3.39Å; L146-V175 HydrophobicContact CG-CG2 3.34Å; L146-K208 VanDerWaalsContact CD2-CA 3.46Å; L146-K208 HydrophobicContact CD2-CB 4.17Å; L146-K208 HydrophobicContact CD2-CG 3.66Å; L146-I210 HydrophobicContact CD1-CD1 4.33Å
147H92.9Very high95Very high0 Ų015.1 Ų15.10%08%0.081CC..  trans-76-46.8176.2-172-82.9000111.7D149 L150 G167 D168 F169 D211H147-D149 PolarHBondContact CE1-O 3.04Å; H147-D149 VanDerWaalsContact ND1-C 3.26Å; H147-D149 PolarHBondContact ND1-N 3.08Å; H147-D149 PolarHBondContact O-N 2.9Å; H147-L150 HydrophobicContact CB-CD2 4.12Å; H147-L150 HydrophobicContact CB-CG 3.97Å; H147-L150 WeakPolarHBondContact ND1-CD2 2.92Å; H147-L150 PolarHBondContact ND1-N 3.4Å; H147-G167 PolarHBondContact NE2-O 3.3Å; H147-D168 PolarHBondContact CE1-O 3.23Å; H147-D168 PolarHBondContact NE2-O 2.83Å; H147-F169 AromaticContact CD2-CD1 3.94Å; H147-F169 AromaticContact CD2-CE1 3.81Å; H147-D211 PolarHBondContact N-OD2 3.19Å
148R90.3Very high94.7Very high30 Ų3015.8 Ų15.811%0.1139%0.085CC..  trans68.6-11.5176-59.6171.566.8-134.78.4116.9L146 L171 R173 L185 Y206 I210 D211L146-R148 HydrophobicContact CB-CG 3.76Å; R148-L171 HydrophobicContact CB-CB 4.48Å; R148-L171 WeakPolarHBondContact CD-O 3.15Å; R148-L171 PolarHBondContact NH1-O 2.79Å; R148-R173 VanDerWaalsContact CD-CG 3.46Å; R148-L185 VanDerWaalsContact NH2-CD2 3.3Å; R148-Y206 VanDerWaalsContact NH2-CE1 3.31Å; R148-Y206 PolarHBondContact NH2-OH 3.27Å; R148-I210 HydrophobicContact CG-CD1 3.91Å; R148-D211 PolarHBondContact N-OD1 3.12Å
149D90.1Very high94.2Very high11 Ų1118.2 Ų18.26%0.05910%0.102CC..  trans-133.242.8176.3-163.834.1000112.8H147 K151 N154 L171 V190H147-D149 PolarHBondContact CE1-O 3.04Å; H147-D149 VanDerWaalsContact ND1-C 3.26Å; H147-D149 PolarHBondContact ND1-N 3.08Å; H147-D149 PolarHBondContact O-N 2.9Å; D149-K151 PolarHBondContact O-N 3.09Å; D149-K151 IonicContact OD1-NZ 3.27Å; D149-K151 PolarHBondContact OD1-NZ 3.26Å; D149-K151 IonicContact OD2-NZ 3.95Å; D149-K151 PolarHBondContact OD2-NZ 3.17Å; D149-N154 PolarHBondContact O-ND2 2.79Å; D149-N154 PolarHBondContact OD2-ND2 2.9Å; D149-N154 VanDerWaalsContact OD2-ND2 3.09Å; D149-L171 HydrophobicContact CB-CB 4.25Å; D149-L171 HydrophobicContact CB-CD1 3.91Å; D149-L171 HydrophobicContact CB-CG 4.44Å; D149-V190 WeakPolarHBondContact OD1-CG1 3.29Å
150L95.1Very high93.7Very high4 Ų424.7 Ų24.72%0.02113%0.133CC..  trans-70.9125.6174.4-71.7-179.6000110.4L137 H147 I155 I166 Y194 D211 A214 I218L137-L150 HydrophobicContact CD1-CD1 3.97Å; L137-L150 HydrophobicContact CD2-CD1 3.87Å; L137-L150 HydrophobicContact CG-CD1 4.36Å; H147-L150 HydrophobicContact CB-CD2 4.12Å; H147-L150 HydrophobicContact CB-CG 3.97Å; H147-L150 WeakPolarHBondContact ND1-CD2 2.92Å; H147-L150 PolarHBondContact ND1-N 3.4Å; L150-I155 HydrophobicContact CD2-CD1 4.1Å; L150-I166 HydrophobicContact CD2-CG2 3.82Å; L150-Y194 WeakPolarHBondContact O-CB 3.5Å; L150-D211 HydrophobicContact CD1-CB 3.79Å; L150-A214 HydrophobicContact CB-CB 3.69Å; L150-I218 HydrophobicContact CB-CD1 4.28Å
151K94.7Very high93.3Very high26 Ų2630.4 Ų30.411%0.11316%0.164CC..SBendtrans-162.2159.1176.564.4-164.6-178.4-147.10108.4D149 A153 N154 I155 Y194D149-K151 PolarHBondContact O-N 3.09Å; D149-K151 IonicContact OD1-NZ 3.27Å; D149-K151 PolarHBondContact OD1-NZ 3.26Å; D149-K151 IonicContact OD2-NZ 3.95Å; D149-K151 PolarHBondContact OD2-NZ 3.17Å; K151-A153 HydrophobicContact CG-CB 4.33Å; K151-A153 PolarHBondContact O-N 2.93Å; K151-A153 VanDerWaalsContact O-N 3.09Å; K151-N154 WeakPolarHBondContact CE-ND2 3.22Å; K151-N154 HydrophobicContact CG-CB 4.25Å; K151-N154 PolarHBondContact O-N 2.86Å; K151-I155 PolarHBondContact O-N 2.83Å; K151-Y194 HydrophobicContact CB-CD2 3.54Å; K151-Y194 HydrophobicContact CB-CE2 3.59Å; K151-Y194 HydrophobicContact CB-CG 4.14Å
152P96.1Very high93.2Very high3 Ų333 Ų332%0.01918%0.178CC..G310 helixtrans-52.4-35-178.1-30.738000114.7L112 A113 L116 N154 I155 Y194 I218L112-P152 HydrophobicContact CB-CB 3.98Å; L112-P152 WeakPolarHBondContact CB-O 3.29Å; L112-P152 HydrophobicContact CD2-CB 4.16Å; L112-P152 HydrophobicContact CD2-CG 4.47Å; L112-P152 HydrophobicContact CG-CB 4.02Å; L112-P152 PolarHBondContact N-O 3.36Å; A113-P152 HydrophobicContact CB-CB 3.9Å; A113-P152 PolarHBondContact N-O 3.31Å; L116-P152 HydrophobicContact CD1-CB 4.18Å; L116-P152 HydrophobicContact CD1-CG 4.21Å; P152-N154 PolarHBondContact O-N 3.47Å; P152-I155 PolarHBondContact O-N 3.48Å; P152-I155 VanDerWaalsContact O-N 3.1Å; P152-Y194 WeakPolarHBondContact CD-OH 2.92Å; P152-Y194 HydrophobicContact CG-CE1 4.17Å; P152-Y194 WeakPolarHBondContact CG-OH 3.45Å; P152-I218 HydrophobicContact CG-CG1 4.31Å
153A92.8Very high93.3Very high43 Ų4333.5 Ų33.536%0.35518%0.179SC..G310 helixtrans-66.8-17177.300000114.4A113 K151A113-A153 HydrophobicContact CB-CB 4.16Å; K151-A153 HydrophobicContact CG-CB 4.33Å; K151-A153 PolarHBondContact O-N 2.93Å; K151-A153 VanDerWaalsContact O-N 3.09Å
154N94.8Very high93.4Very high10 Ų1033.6 Ų33.65%0.05318%0.18CC..G310 helixtrans-104.35.7177.1-67.7-5.3000112D149 K151 P152 G167 D168D149-N154 PolarHBondContact O-ND2 2.79Å; D149-N154 PolarHBondContact OD2-ND2 2.9Å; D149-N154 VanDerWaalsContact OD2-ND2 3.09Å; K151-N154 WeakPolarHBondContact CE-ND2 3.22Å; K151-N154 HydrophobicContact CG-CB 4.25Å; K151-N154 PolarHBondContact O-N 2.86Å; P152-N154 PolarHBondContact O-N 3.47Å; N154-G167 PolarHBondContact O-N 3.05Å; N154-D168 HydrophobicContact CB-CB 4.49Å
155I97.7Very high93.7Very high0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-108.5109.7175.3-57.8-52.1000107.7D111 L112 L133 L150 K151 P152 I157 L164 I166 I218D111-I155 CarbonylContact C-O 3.43Å; D111-I155 VanDerWaalsContact CA-O 3.29Å; D111-I155 WeakPolarHBondContact CA-O 3.09Å; L112-I155 HydrophobicContact CB-CB 3.96Å; L112-I155 HydrophobicContact CB-CG2 4.09Å; L112-I155 HydrophobicContact CD2-CB 4.27Å; L112-I155 HydrophobicContact CD2-CG2 4.13Å; L112-I155 PolarHBondContact N-O 3.32Å; L133-I155 HydrophobicContact CD1-CD1 3.82Å; L150-I155 HydrophobicContact CD2-CD1 4.1Å; K151-I155 PolarHBondContact O-N 2.83Å; P152-I155 PolarHBondContact O-N 3.48Å; P152-I155 VanDerWaalsContact O-N 3.1Å; I155-I157 HydrophobicContact CG2-CD1 4.27Å; I155-L164 HydrophobicContact CG2-CD1 3.29Å; I155-L164 HydrophobicContact CG2-CD2 3.98Å; I155-L164 HydrophobicContact CG2-CG 3.47Å; I155-L164 VanDerWaalsContact CG2-CG 3.47Å; I155-I166 HydrophobicContact CD1-CG1 4.29Å; I155-I218 HydrophobicContact CG1-CD1 4.24Å
156F97Very high94Very high45 Ų4532.3 Ų32.320%0.19717%0.172CC..EExtended strand (participates in β ladder)trans-94.9146.1-177.1-63.2-78.5000111.7V78 M108 T110 D111 L164 K165V78-F156 HydrophobicContact CG2-CB 4.5Å; V78-F156 HydrophobicContact CG2-CD2 3.6Å; V78-F156 HydrophobicContact CG2-CE2 4.24Å; V78-F156 HydrophobicContact CG2-CG 4.32Å; M108-F156 HydrophobicContact CB-CB 3.65Å; M108-F156 HydrophobicContact CB-CD1 3.91Å; M108-F156 HydrophobicContact CB-CG 4Å; M108-F156 HydrophobicContact CE-CB 3.78Å; M108-F156 HydrophobicContact CG-CB 3.52Å; M108-F156 HydrophobicContact CG-CD1 4.29Å; M108-F156 HydrophobicContact CG-CG 3.93Å; M108-F156 HydrophobicContact SD-CB 4.41Å; T110-F156 WeakPolarHBondContact O-CA 3.5Å; D111-F156 HydrophobicContact CB-CD1 4.16Å; D111-F156 HydrophobicContact CB-CE1 4.34Å; F156-L164 CarbonylContact O-C 3.5Å; F156-L164 WeakPolarHBondContact O-CA 3.26Å; F156-K165 PolarHBondContact N-O 3.35Å; F156-K165 PolarHBondContact O-N 2.89Å
157I96.1Very high94Very high1 Ų132.3 Ų32.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-127.6129.3-175.8-51.8-65000109.5T110 L112 F129 I155 T159 V163 L164T110-I157 HydrophobicContact CG2-CB 4.01Å; T110-I157 PolarHBondContact N-O 3.27Å; T110-I157 PolarHBondContact O-N 2.94Å; L112-I157 HydrophobicContact CB-CG1 4.46Å; F129-I157 HydrophobicContact CD1-CD1 4.22Å; F129-I157 HydrophobicContact CD2-CD1 4.34Å; F129-I157 HydrophobicContact CE1-CD1 4.14Å; F129-I157 HydrophobicContact CE1-CG2 4.21Å; F129-I157 HydrophobicContact CE2-CD1 4.25Å; F129-I157 HydrophobicContact CE2-CG2 4.48Å; F129-I157 HydrophobicContact CG-CD1 4.34Å; F129-I157 HydrophobicContact CZ-CD1 4.16Å; F129-I157 HydrophobicContact CZ-CG2 3.79Å; I155-I157 HydrophobicContact CG2-CD1 4.27Å; I157-T159 HydrophobicContact CG2-CG2 4.21Å; I157-V163 WeakPolarHBondContact CA-O 3.44Å; I157-L164 HydrophobicContact CD1-CB 3.93Å; I157-L164 HydrophobicContact CD1-CD1 4.01Å; I157-L164 HydrophobicContact CD1-CG 3.99Å
158S93.4Very high93.8Very high14 Ų1433.7 Ų33.710%0.09818%0.18CC..EExtended strand (participates in β ladder)trans-87.3113.8156.9177.20000107D161 L162 V163S158-D161 PolarHBondContact OG-N 2.81Å; S158-D161 PolarHBondContact OG-OD2 2.89Å; S158-L162 VanDerWaalsContact O-CA 3.26Å; S158-L162 WeakPolarHBondContact O-CA 3.26Å; S158-L162 PolarHBondContact O-N 2.95Å; S158-V163 PolarHBondContact N-O 3.25Å; S158-V163 PolarHBondContact O-N 3.01Å
159T87.8Confident93.7Very high71 Ų7132.6 Ų32.644%0.43618%0.176SC..THydrogen-bonded Turntrans-78.7-28.3-175.9610000112.2E109 T110 I157E109-T159 WeakPolarHBondContact OE2-CB 3.28Å; E109-T159 PolarHBondContact OE2-N 3.39Å; E109-T159 PolarHBondContact OE2-OG1 3.33Å; T110-T159 HydrophobicContact CG2-CG2 3.8Å; I157-T159 HydrophobicContact CG2-CG2 4.21Å
160E86.1Confident93.4Very high162 Ų16232.7 Ų32.776%0.75718%0.18SC*.THydrogen-bonded Turntrans-69.2-46.5174.6-63.7-172.6173.200111.4
161D90.2Very high92.8Very high120 Ų12034.3 Ų34.364%0.64219%0.188SC*.THydrogen-bonded Turntrans-93-6.5-175.7-53.6-58.1000114S158 V163S158-D161 PolarHBondContact OG-N 2.81Å; S158-D161 PolarHBondContact OG-OD2 2.89Å; D161-V163 HydrophobicContact CB-CB 4.4Å; D161-V163 HydrophobicContact CB-CG2 3.74Å; D161-V163 PolarHBondContact O-N 2.97Å
162L94.7Very high92.5Very high67 Ų6733 Ų3335%0.35118%0.183SC..THydrogen-bonded Turntrans53.237.2-170.7-60.4175.9000113.4L128 F129 Q132 S158L128-L162 HydrophobicContact CD2-CB 4.13Å; F129-L162 HydrophobicContact CZ-CD2 4.4Å; Q132-L162 PolarHBondContact NE2-O 2.8Å; S158-L162 VanDerWaalsContact O-CA 3.26Å; S158-L162 WeakPolarHBondContact O-CA 3.26Å; S158-L162 PolarHBondContact O-N 2.95Å
163V96.8Very high92Very high42 Ų4234.2 Ų34.226%0.25519%0.187SC..EExtended strand (participates in β ladder)trans-97.9130-179.9175.10000110.9I157 S158 D161 K165I157-V163 WeakPolarHBondContact CA-O 3.44Å; S158-V163 PolarHBondContact N-O 3.25Å; S158-V163 PolarHBondContact O-N 3.01Å; D161-V163 HydrophobicContact CB-CB 4.4Å; D161-V163 HydrophobicContact CB-CG2 3.74Å; D161-V163 PolarHBondContact O-N 2.97Å; V163-K165 HydrophobicContact CG1-CG 4.05Å
164L98.1Very high91.7Very high2 Ų232.3 Ų32.31%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-99.5133.9171.7178155000110.8N76 F129 Q132 L133 I155 F156 I157 I166N76-L164 VanDerWaalsContact CA-O 3.28Å; N76-L164 WeakPolarHBondContact CA-O 3.29Å; N76-L164 WeakPolarHBondContact CB-O 3.46Å; N76-L164 PolarHBondContact ND2-O 3.29Å; F129-L164 HydrophobicContact CB-CD1 3.72Å; F129-L164 HydrophobicContact CD1-CB 4.01Å; F129-L164 HydrophobicContact CD1-CD1 4.42Å; F129-L164 HydrophobicContact CG-CD1 4.23Å; F129-L164 WeakPolarHBondContact O-CD1 3.29Å; Q132-L164 HydrophobicContact CB-CB 3.91Å; Q132-L164 HydrophobicContact CB-CD2 4.39Å; L133-L164 HydrophobicContact CB-CD1 4.35Å; L133-L164 HydrophobicContact CB-CD2 4.17Å; I155-L164 HydrophobicContact CG2-CD1 3.29Å; I155-L164 HydrophobicContact CG2-CD2 3.98Å; I155-L164 HydrophobicContact CG2-CG 3.47Å; I155-L164 VanDerWaalsContact CG2-CG 3.47Å; F156-L164 CarbonylContact O-C 3.5Å; F156-L164 WeakPolarHBondContact O-CA 3.26Å; I157-L164 HydrophobicContact CD1-CB 3.93Å; I157-L164 HydrophobicContact CD1-CD1 4.01Å; I157-L164 HydrophobicContact CD1-CG 3.99Å; L164-I166 HydrophobicContact CD2-CG1 4.33Å
165K98.3Very high91Very high25 Ų2533.4 Ų33.411%0.10918%0.177CC..EExtended strand (participates in β ladder)trans-129.3131.9173.9-56.2-160177.7-142.80112.7D75 N76 V78 E106 M108 F156 V163D75-K165 WeakPolarHBondContact O-CD 3.47Å; D75-K165 WeakPolarHBondContact O-CE 3.39Å; D75-K165 WeakPolarHBondContact O-CG 3.21Å; D75-K165 PolarHBondContact O-NZ 3.44Å; D75-K165 VanDerWaalsContact O-NZ 3.14Å; N76-K165 WeakPolarHBondContact O-CA 3.27Å; V78-K165 HydrophobicContact CG2-CB 3.77Å; E106-K165 VanDerWaalsContact OE1-CE 3.29Å; E106-K165 WeakPolarHBondContact OE1-CE 3.37Å; E106-K165 IonicContact OE1-NZ 2.73Å; E106-K165 PolarHBondContact OE1-NZ 2.61Å; E106-K165 VanDerWaalsContact OE2-CD 3.26Å; E106-K165 WeakPolarHBondContact OE2-CD 3.39Å; E106-K165 WeakPolarHBondContact OE2-CE 3.33Å; E106-K165 IonicContact OE2-NZ 3.51Å; E106-K165 PolarHBondContact OE2-NZ 3.02Å; M108-K165 HydrophobicContact CE-CB 4.04Å; M108-K165 HydrophobicContact CE-CD 4.05Å; M108-K165 HydrophobicContact CE-CG 3.8Å; M108-K165 HydrophobicContact SD-CB 4.47Å; M108-K165 HydrophobicContact SD-CD 3.84Å; M108-K165 HydrophobicContact SD-CG 4.24Å; F156-K165 PolarHBondContact N-O 3.35Å; F156-K165 PolarHBondContact O-N 2.89Å; V163-K165 HydrophobicContact CG1-CG 4.05Å
166I98.3Very high89.7Confident0 Ų035.4 Ų35.40%019%0.188CC..EExtended strand (participates in β ladder)trans-79.4131.1173.5-55.6167000108.8N76 V78 L133 L137 I140 L150 I155 L164 F169N76-I166 PolarHBondContact O-N 2.8Å; V78-I166 PolarHBondContact N-O 3.26Å; L133-I166 HydrophobicContact CD1-CD1 3.81Å; L133-I166 HydrophobicContact CD1-CG1 3.82Å; L137-I166 HydrophobicContact CD2-CD1 4.47Å; L137-I166 HydrophobicContact CG-CD1 4.25Å; I140-I166 HydrophobicContact CD1-CB 4.47Å; I140-I166 HydrophobicContact CD1-CD1 3.72Å; I140-I166 HydrophobicContact CD1-CG2 4.2Å; L150-I166 HydrophobicContact CD2-CG2 3.82Å; I155-I166 HydrophobicContact CD1-CG1 4.29Å; L164-I166 HydrophobicContact CD2-CG1 4.33Å; I166-F169 HydrophobicContact CG2-CZ 4.22Å
167G93.8Very high87.9Confident2 Ų241.9 Ų41.92%0.02122%0.219CC..  trans-139-177.6175.100000113.5H147 N154H147-G167 PolarHBondContact NE2-O 3.3Å; N154-G167 PolarHBondContact O-N 3.05Å
168D87.5Confident85.9Confident30 Ų3050.3 Ų50.316%0.1626%0.258CS..  trans60.375.8-175.9-1609.2000115.8K49 H147 N154 G170K49-D168 IonicContact NZ-OD1 3.96Å; K49-D168 PolarHBondContact NZ-OD1 3.24Å; H147-D168 PolarHBondContact CE1-O 3.23Å; H147-D168 PolarHBondContact NE2-O 2.83Å; N154-D168 HydrophobicContact CB-CB 4.49Å; D168-G170 VanDerWaalsContact C-N 3.27Å; D168-G170 PolarHBondContact O-N 2.78Å; D168-G170 PolarHBondContact OD1-N 3.32Å
169F88.9Confident84.2Confident6 Ų655.9 Ų55.93%0.02628%0.278CS..  trans-87.219.2178.4-68.7-100.1000113.5E65 I68 I69 L72 I77 I140 H147 I166 L171 A172E65-F169 HydrophobicContact CG-CB 4.47Å; I68-F169 HydrophobicContact CG2-CD1 4.01Å; I69-F169 HydrophobicContact CG2-CB 3.57Å; I69-F169 HydrophobicContact CG2-CD2 3.64Å; I69-F169 HydrophobicContact CG2-CG 3.75Å; L72-F169 HydrophobicContact CD1-CD1 4.06Å; L72-F169 HydrophobicContact CD1-CE1 3.48Å; L72-F169 VanDerWaalsContact CD1-CE1 3.48Å; L72-F169 HydrophobicContact CD1-CZ 3.76Å; I77-F169 HydrophobicContact CG2-CE2 3.87Å; I77-F169 HydrophobicContact CG2-CZ 3.85Å; I140-F169 HydrophobicContact CD1-CE1 3.92Å; I140-F169 HydrophobicContact CD1-CZ 3.85Å; I140-F169 HydrophobicContact CG1-CE1 4.29Å; I140-F169 HydrophobicContact CG1-CZ 4.41Å; H147-F169 AromaticContact CD2-CD1 3.94Å; H147-F169 AromaticContact CD2-CE1 3.81Å; I166-F169 HydrophobicContact CG2-CZ 4.22Å; F169-L171 PolarHBondContact O-N 2.88Å; F169-L171 VanDerWaalsContact O-N 3.13Å; F169-A172 HydrophobicContact CB-CB 3.87Å; F169-A172 HydrophobicContact CD1-CB 3.93Å; F169-A172 HydrophobicContact CG-CB 4.41Å; F169-A172 WeakPolarHBondContact O-CB 3.16Å; F169-A172 PolarHBondContact O-N 2.9Å
170G82.7Confident82.6Confident14 Ų1455.7 Ų55.714%0.14428%0.279CS..THydrogen-bonded Turntrans-61.1-24.3-176.800000114.5E65 D168E65-G170 WeakPolarHBondContact OE2-CA 3.49Å; D168-G170 VanDerWaalsContact C-N 3.27Å; D168-G170 PolarHBondContact O-N 2.78Å; D168-G170 PolarHBondContact OD1-N 3.32Å
171L83.1Confident81.1Confident37 Ų3749.1 Ų49.119%0.19425%0.249CC..THydrogen-bonded Turntrans-1022.9174.8-63.2-174.4000113.7R148 D149 F169 V190R148-L171 HydrophobicContact CB-CB 4.48Å; R148-L171 WeakPolarHBondContact CD-O 3.15Å; R148-L171 PolarHBondContact NH1-O 2.79Å; D149-L171 HydrophobicContact CB-CB 4.25Å; D149-L171 HydrophobicContact CB-CD1 3.91Å; D149-L171 HydrophobicContact CB-CG 4.44Å; F169-L171 PolarHBondContact O-N 2.88Å; F169-L171 VanDerWaalsContact O-N 3.13Å; L171-V190 HydrophobicContact CD1-CG2 4.02Å
172A87.8Confident79.2Confident0 Ų051.6 Ų51.60%025%0.254CS..  trans-63.8152.8-175.900000112.9R64 I68 V145 L146 F169R64-A172 VanDerWaalsContact CD-O 3.29Å; R64-A172 WeakPolarHBondContact CD-O 3.36Å; I68-A172 HydrophobicContact CD1-CB 3.78Å; V145-A172 HydrophobicContact CG1-CB 4.19Å; L146-A172 CarbonylContact O-C 3.55Å; L146-A172 WeakPolarHBondContact O-CA 3.31Å; L146-A172 WeakPolarHBondContact O-CB 3.3Å; F169-A172 HydrophobicContact CB-CB 3.87Å; F169-A172 HydrophobicContact CD1-CB 3.93Å; F169-A172 HydrophobicContact CG-CB 4.41Å; F169-A172 WeakPolarHBondContact O-CB 3.16Å; F169-A172 PolarHBondContact O-N 2.9Å
173R85.9Confident76.9Confident28 Ų2850.4 Ų50.411%0.10626%0.257CS..EExtended strand (participates in β ladder)trans-142.8149-178.8-67.6-65.7-178.1-109.917111.7H61 R64 V145 L146 R148H61-R173 PolarHBondContact CE1-NH2 2.91Å; R64-R173 VanDerWaalsContact CD-NH1 3.3Å; R64-R173 VanDerWaalsContact CZ-NH1 3.32Å; R64-R173 VanDerWaalsContact NE-NH1 3.13Å; R64-R173 VanDerWaalsContact NH1-CZ 3.32Å; R64-R173 VanDerWaalsContact NH1-NE 3.15Å; V145-R173 CarbonylContact C-O 3.52Å; V145-R173 WeakPolarHBondContact CA-O 3.37Å; L146-R173 PolarHBondContact N-O 3.19Å; L146-R173 PolarHBondContact O-N 3.2Å; R148-R173 VanDerWaalsContact CD-CG 3.46Å
174I86.4Confident74.2Confident3 Ų355.8 Ų55.82%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-80.9131.9171-63.6164.6000108.5N144 H181 F328 D332 E333N144-I174 CarbonylContact O-C 3.57Å; N144-I174 WeakPolarHBondContact O-CA 3.49Å; I174-H181 PolarHBondContact O-NE2 3.38Å; I174-F328 HydrophobicContact CB-CB 4.37Å; I174-F328 HydrophobicContact CD1-CB 3.67Å; I174-F328 HydrophobicContact CD1-CD1 3.88Å; I174-F328 HydrophobicContact CD1-CG 4.06Å; I174-F328 HydrophobicContact CG1-CB 3.65Å; I174-F328 HydrophobicContact CG1-CD1 4.38Å; I174-F328 HydrophobicContact CG1-CG 4.13Å; I174-F328 HydrophobicContact CG2-CB 3.8Å; I174-D332 HydrophobicContact CD1-CB 3.82Å; I174-E333 HydrophobicContact CB-CG 4.12Å; I174-E333 HydrophobicContact CD1-CG 3.57Å; I174-E333 HydrophobicContact CG1-CG 4.18Å; I174-E333 PolarHBondContact N-OE1 2.86Å
175V81.1Confident71.8Confident33 Ų3357.3 Ų57.320%0.228%0.282CS..  trans-77131.8176.9-176.90000109.2N144 L146 K208N144-V175 HydrophobicContact CB-CB 4.31Å; N144-V175 PolarHBondContact O-N 2.89Å; L146-V175 HydrophobicContact CD1-CG2 3.92Å; L146-V175 HydrophobicContact CD2-CG2 3.39Å; L146-V175 HydrophobicContact CG-CG2 3.34Å; V175-K208 HydrophobicContact CG2-CG 4.44Å
176D70.7Confident69.2Low42 Ų4259.7 Ų59.723%0.22530%0.302CS..  trans-132.1128.5167.6-173.4-30.5000108.8H178 Y179 I330D176-H178 VanDerWaalsContact C-N 3.29Å; D176-H178 WeakPolarHBondContact OD1-CA 3.27Å; D176-H178 WeakPolarHBondContact OD1-CB 3.26Å; D176-H178 PolarHBondContact OD1-N 3.47Å; D176-Y179 PolarHBondContact OD1-N 3.46Å; D176-I330 HydrophobicContact CB-CB 4.31Å; D176-I330 HydrophobicContact CB-CD1 4.2Å; D176-I330 HydrophobicContact CB-CG1 4.41Å; D176-I330 WeakPolarHBondContact OD2-CB 3.24Å; D176-I330 WeakPolarHBondContact OD2-CG1 3.26Å; D176-I330 VanDerWaalsContact OD2-CG2 3.27Å; D176-I330 WeakPolarHBondContact OD2-CG2 3.36Å
177Q58.3Low66.6Low181 Ų18166.5 Ų66.585%0.84633%0.334SS*.SBendtrans-73.2-22.6-179.6-170.3169.23.400112.7
178H54.5Low64.2Low177 Ų17769 Ų6982%0.81936%0.36SS*.SBendtrans-101.5-11.7-179.9-60-61.5000113.1D176D176-H178 VanDerWaalsContact C-N 3.29Å; D176-H178 WeakPolarHBondContact OD1-CA 3.27Å; D176-H178 WeakPolarHBondContact OD1-CB 3.26Å; D176-H178 PolarHBondContact OD1-N 3.47Å
179Y57.8Low62.2Low131 Ų13175.5 Ų75.551%0.51439%0.393SS..  trans-121.4103.5179.9-164.1-94.6000112D176 H181 I330D176-Y179 PolarHBondContact OD1-N 3.46Å; Y179-H181 PolarHBondContact O-N 3.01Å; Y179-I330 HydrophobicContact CD1-CD1 4.43Å
180S53.8Low60.6Low68 Ų6876.8 Ų76.848%0.47640%0.402SS..  trans-73116.1164.8173.70000108.5K182 N204S180-K182 PolarHBondContact O-N 3.23Å; S180-N204 PolarHBondContact OG-O 3.38Å; S180-N204 VanDerWaalsContact OG-O 3.1Å
181H55.3Low59.7Low24 Ų2478.6 Ų78.611%0.11141%0.41CS..  trans-6097.1171.8-70.7-73.4000109.5I174 Y179 G183 Y206 E333I174-H181 PolarHBondContact O-NE2 3.38Å; Y179-H181 PolarHBondContact O-N 3.01Å; H181-G183 PolarHBondContact O-N 3.45Å; H181-Y206 HydrophobicContact CB-CD2 4.12Å; H181-Y206 HydrophobicContact CB-CE2 4.22Å; H181-E333 IonicContact CE1-OE1 3.48Å; H181-E333 IonicContact CE1-OE2 2.8Å; H181-E333 PolarHBondContact CE1-OE2 3.39Å; H181-E333 IonicContact ND1-OE2 3.76Å
182K50.1Low59.6Low172 Ų17279.6 Ų79.675%0.74841%0.413SS*.  trans-72.420.7172.7-64.7-174.4179.5179.40113.2S180S180-K182 PolarHBondContact O-N 3.23Å
183G44.9Very low59.8Low41 Ų4184.4 Ų84.442%0.42343%0.431SS..  trans-85.6115.9-179.700000110.2H181 L185 Y206H181-G183 PolarHBondContact O-N 3.45Å; G183-L185 PolarHBondContact O-N 2.92Å; G183-Y206 PolarHBondContact O-OH 2.87Å
184Y41.2Very low60.2Low156 Ų15684 Ų8461%0.61243%0.43SS*.  trans-47.6122.5164.9-76.7-96.2000109.1S186Y184-S186 PolarHBondContact O-N 3.28Å
185L48.2Very low60.5Low33 Ų3385.3 Ų85.317%0.17343%0.434CS..  trans-56.9130.1152.8-85.2158.8000105.9R148 G183 E187 L199 Y206R148-L185 VanDerWaalsContact NH2-CD2 3.3Å; G183-L185 PolarHBondContact O-N 2.92Å; L185-E187 PolarHBondContact O-N 3.21Å; L185-L199 HydrophobicContact CD1-CD1 3.98Å; L185-Y206 HydrophobicContact CD1-CE1 3.75Å; L185-Y206 WeakPolarHBondContact CD1-OH 3.47Å; L185-Y206 HydrophobicContact CG-CE1 4.29Å; L185-Y206 VanDerWaalsContact CG-OH 3.25Å; L185-Y206 WeakPolarHBondContact CG-OH 3.38Å
186S42.8Very low61Low76 Ų7683.8 Ų83.853%0.53143%0.425SS..  trans-55106171.5-650000108.1Y184 G188Y184-S186 PolarHBondContact O-N 3.28Å; S186-G188 PolarHBondContact O-N 2.74Å
187E43.4Very low62Low143 Ų14381.8 Ų81.867%0.66842%0.415SS*.THydrogen-bonded Turntrans-67120.4-174.6-162.5176.3-179.100108.1L185L185-E187 PolarHBondContact O-N 3.21Å
188G44.5Very low63.4Low55 Ų5574.3 Ų74.357%0.56738%0.379SS*.THydrogen-bonded Turntrans119.1-2.4163.100000119.4S186S186-G188 PolarHBondContact O-N 2.74Å
189L44.9Very low64.8Low165 Ų16566.6 Ų66.686%0.86434%0.344SS*.SBendtrans-121.85.7-177.2-73.8168.6000115.9
190V55.5Low66.1Low33 Ų3361.4 Ų61.420%0.233%0.325CS..SBendtrans-115.2137-174.1-172.40000111.2D149 L171 K192D149-V190 WeakPolarHBondContact OD1-CG1 3.29Å; L171-V190 HydrophobicContact CD1-CG2 4.02Å; V190-K192 PolarHBondContact O-N 3.47Å; V190-K192 VanDerWaalsContact O-N 3.14Å
191T63.4Low67.5Low53 Ų5359.3 Ų59.333%0.32531%0.308SS..  trans-50.7112.9171.9-49.10000110.8W193 Y194T191-W193 VanDerWaalsContact C-N 3.34Å; T191-W193 HydrophobicContact CG2-CB 4.19Å; T191-W193 HydrophobicContact CG2-CD2 3.79Å; T191-W193 HydrophobicContact CG2-CE3 3.31Å; T191-W193 HydrophobicContact CG2-CG 4.12Å; T191-W193 HydrophobicContact CG2-CZ3 4.18Å; T191-Y194 HydrophobicContact CG2-CD2 4.03Å; T191-Y194 HydrophobicContact CG2-CE2 3.86Å
192K80.6Confident68.4Low57 Ų5760.1 Ų60.125%0.24832%0.316CS..G310 helixtrans-81.3-15.5-173.3-61.4175.4-178.7174.50113.5V190 Y194 R195 E234V190-K192 PolarHBondContact O-N 3.47Å; V190-K192 VanDerWaalsContact O-N 3.14Å; K192-Y194 PolarHBondContact O-N 3.35Å; K192-Y194 VanDerWaalsContact O-N 3.14Å; K192-R195 VanDerWaalsContact O-CB 3.3Å; K192-R195 WeakPolarHBondContact O-CB 3.44Å; K192-R195 WeakPolarHBondContact O-CG 3.25Å; K192-R195 PolarHBondContact O-N 2.78Å; K192-E234 HydrophobicContact CD-CG 3.89Å
193W92.6Very high69.2Low101 Ų10154.8 Ų54.838%0.38330%0.299SS..G310 helixtrans-62.5-22.4-169.5-56.7-32.4000114.9T191 M227 F229 G231 Q237T191-W193 VanDerWaalsContact C-N 3.34Å; T191-W193 HydrophobicContact CG2-CB 4.19Å; T191-W193 HydrophobicContact CG2-CD2 3.79Å; T191-W193 HydrophobicContact CG2-CE3 3.31Å; T191-W193 HydrophobicContact CG2-CG 4.12Å; T191-W193 HydrophobicContact CG2-CZ3 4.18Å; W193-M227 HydrophobicContact CB-CE 3.6Å; W193-M227 HydrophobicContact CD2-CE 3.48Å; W193-M227 VanDerWaalsContact CD2-CE 3.48Å; W193-M227 HydrophobicContact CD2-SD 3.57Å; W193-M227 VanDerWaalsContact CD2-SD 3.57Å; W193-M227 HydrophobicContact CE3-CE 2.99Å; W193-M227 HydrophobicContact CE3-SD 3.12Å; W193-M227 HydrophobicContact CG-CE 3.8Å; W193-M227 HydrophobicContact CG-SD 4.28Å; W193-M227 HydrophobicContact CH2-SD 3.78Å; W193-M227 HydrophobicContact CZ2-SD 4.25Å; W193-M227 HydrophobicContact CZ3-CE 3.69Å; W193-M227 HydrophobicContact CZ3-SD 3.21Å; W193-M227 WeakPolarHBondContact CZ3-SD 3.44Å; W193-F229 WeakPolarHBondContact CA-O 3.05Å; W193-F229 WeakPolarHBondContact CB-O 3.44Å; W193-G231 PolarHBondContact NE1-O 2.75Å; W193-Q237 PolarHBondContact O-NE2 2.73Å
194Y94.6Very high70.2Confident21 Ų2155.4 Ų55.48%0.08229%0.293CS..G310 helixtrans-103.86.3178.8-52.4-85.2000113.1L150 K151 P152 T191 K192 C217 I218 E221 M227L150-Y194 WeakPolarHBondContact O-CB 3.5Å; K151-Y194 HydrophobicContact CB-CD2 3.54Å; K151-Y194 HydrophobicContact CB-CE2 3.59Å; K151-Y194 HydrophobicContact CB-CG 4.14Å; P152-Y194 WeakPolarHBondContact CD-OH 2.92Å; P152-Y194 HydrophobicContact CG-CE1 4.17Å; P152-Y194 WeakPolarHBondContact CG-OH 3.45Å; T191-Y194 HydrophobicContact CG2-CD2 4.03Å; T191-Y194 HydrophobicContact CG2-CE2 3.86Å; K192-Y194 PolarHBondContact O-N 3.35Å; K192-Y194 VanDerWaalsContact O-N 3.14Å; Y194-C217 HydrophobicContact CD1-CB 3.76Å; Y194-C217 HydrophobicContact CE1-CB 4.29Å; Y194-I218 HydrophobicContact CD1-CG1 4.03Å; Y194-I218 HydrophobicContact CE1-CG1 3.94Å; Y194-E221 PolarHBondContact OH-OE1 3.43Å; Y194-E221 PolarHBondContact OH-OE2 3.11Å; Y194-M227 HydrophobicContact CE2-CE 3.9Å; Y194-M227 VanDerWaalsContact OH-CE 3.27Å; Y194-M227 WeakPolarHBondContact OH-CE 3.49Å
195R91.6Very high71.5Confident29 Ų2951.4 Ų51.411%0.10928%0.282CS..  trans-77.3134-179.8-66.1-176.6178-177-1.9111K192 L199 L200 W213 E234K192-R195 VanDerWaalsContact O-CB 3.3Å; K192-R195 WeakPolarHBondContact O-CB 3.44Å; K192-R195 WeakPolarHBondContact O-CG 3.25Å; K192-R195 PolarHBondContact O-N 2.78Å; R195-L199 HydrophobicContact CB-CD2 4.07Å; R195-L199 HydrophobicContact CG-CD2 3.89Å; R195-L200 HydrophobicContact CB-CD2 4.13Å; R195-L200 HydrophobicContact CB-CG 4.34Å; R195-W213 PolarHBondContact O-NE1 3.15Å; R195-E234 IonicContact NH1-OE1 2.9Å; R195-E234 PolarHBondContact NH1-OE1 3.22Å
196S92.3Very high72.8Confident1 Ų150.9 Ų50.91%0.00728%0.278CS..  trans-71.4157.1176.176.30000113R198 L199 L200 W213S196-R198 VanDerWaalsContact C-N 3.26Å; S196-R198 PolarHBondContact O-N 3.27Å; S196-L199 WeakPolarHBondContact O-CB 3.33Å; S196-L199 PolarHBondContact O-N 3.37Å; S196-L199 PolarHBondContact OG-N 2.86Å; S196-L200 PolarHBondContact O-N 3.26Å; S196-L200 VanDerWaalsContact O-N 3.13Å; S196-W213 VanDerWaalsContact CA-CD1 3.44Å; S196-W213 VanDerWaalsContact CB-CG 3.47Å
197P92.1Very high74.9Confident0 Ų049.5 Ų49.50%027%0.266CS..Hα-helixtrans-54.3-42.4176.6-27.936.2000113.1L199 L200 L201 W213 M238 I241 F295P197-L199 VanDerWaalsContact C-N 3.3Å; P197-L199 PolarHBondContact O-N 3.46Å; P197-L200 WeakPolarHBondContact O-CB 3.47Å; P197-L200 PolarHBondContact O-N 3.08Å; P197-L201 PolarHBondContact O-N 3.41Å; P197-W213 HydrophobicContact CG-CE3 4.46Å; P197-W213 HydrophobicContact CG-CH2 3.75Å; P197-W213 HydrophobicContact CG-CZ2 4.16Å; P197-W213 HydrophobicContact CG-CZ3 3.92Å; P197-M238 HydrophobicContact CB-CE 4.16Å; P197-M238 HydrophobicContact CB-SD 4.4Å; P197-M238 WeakPolarHBondContact O-CE 3.45Å; P197-I241 HydrophobicContact CG-CD1 4.19Å; P197-I241 HydrophobicContact CG-CG2 3.76Å; P197-F295 HydrophobicContact CB-CD2 3.76Å; P197-F295 HydrophobicContact CB-CE2 3.57Å; P197-F295 HydrophobicContact CB-CG 4.47Å; P197-F295 HydrophobicContact CB-CZ 4.13Å; P197-F295 HydrophobicContact CG-CD2 3.97Å; P197-F295 HydrophobicContact CG-CE2 4.24Å
198R86.8Confident77.3Confident24 Ų2446.1 Ų46.19%0.09125%0.249CC..Hα-helixtrans-64-36.8179.7-17454.961.2-177.60.9112.1S196 L200 L201 S202 D252 E255 P297S196-R198 VanDerWaalsContact C-N 3.26Å; S196-R198 PolarHBondContact O-N 3.27Å; R198-L200 VanDerWaalsContact C-N 3.34Å; R198-L201 PolarHBondContact O-N 3.42Å; R198-S202 CarbonylContact O-C 3.5Å; R198-S202 PolarHBondContact O-N 3.03Å; R198-D252 IonicContact NH2-OD1 2.75Å; R198-D252 PolarHBondContact NH2-OD1 3.05Å; R198-E255 IonicContact CZ-OE2 2.72Å; R198-E255 VanDerWaalsContact NH1-CD 3.26Å; R198-E255 IonicContact NH1-OE1 2.8Å; R198-E255 PolarHBondContact NH1-OE1 3.22Å; R198-E255 IonicContact NH1-OE2 3.02Å; R198-E255 PolarHBondContact NH1-OE2 3.17Å; R198-E255 IonicContact NH2-OE2 3.95Å; R198-E255 PolarHBondContact NH2-OE2 3.22Å; R198-P297 HydrophobicContact CB-CG 4.48Å; R198-P297 HydrophobicContact CG-CG 4.3Å
199L84Confident79.7Confident16 Ų1644.1 Ų44.18%0.08423%0.227CC..Hα-helixtrans-69.3-33.1176.7-17663.2000111.9L185 R195 S196 P197 Y206L185-L199 HydrophobicContact CD1-CD1 3.98Å; R195-L199 HydrophobicContact CB-CD2 4.07Å; R195-L199 HydrophobicContact CG-CD2 3.89Å; S196-L199 WeakPolarHBondContact O-CB 3.33Å; S196-L199 PolarHBondContact O-N 3.37Å; S196-L199 PolarHBondContact OG-N 2.86Å; P197-L199 VanDerWaalsContact C-N 3.3Å; P197-L199 PolarHBondContact O-N 3.46Å; L199-Y206 HydrophobicContact CD1-CD1 3.97Å; L199-Y206 HydrophobicContact CD1-CE1 3.57Å
200L85.6Confident82Confident22 Ų2236.7 Ų36.712%0.11519%0.188CC..Hα-helixtrans-71.2-36.8174.3-63.6171.2000112.3R195 S196 P197 R198 E234 Q237 M238 I241R195-L200 HydrophobicContact CB-CD2 4.13Å; R195-L200 HydrophobicContact CB-CG 4.34Å; S196-L200 PolarHBondContact O-N 3.26Å; S196-L200 VanDerWaalsContact O-N 3.13Å; P197-L200 WeakPolarHBondContact O-CB 3.47Å; P197-L200 PolarHBondContact O-N 3.08Å; R198-L200 VanDerWaalsContact C-N 3.34Å; L200-E234 HydrophobicContact CD2-CB 4.16Å; L200-E234 HydrophobicContact CD2-CG 4.16Å; L200-Q237 HydrophobicContact CD1-CB 4.2Å; L200-Q237 HydrophobicContact CD1-CG 3.78Å; L200-Q237 HydrophobicContact CD2-CG 4.5Å; L200-M238 HydrophobicContact CB-CE 3.74Å; L200-M238 HydrophobicContact CD1-CB 4.32Å; L200-M238 HydrophobicContact CD1-CE 4.07Å; L200-I241 HydrophobicContact CD1-CD1 3.96Å
201L82.2Confident83.9Confident24 Ų2435.2 Ų35.213%0.12618%0.179CC..Hα-helixtrans-80.9-33.6178.8-70.2174000113.8P197 R198 M238 L256 V259 F295P197-L201 PolarHBondContact O-N 3.41Å; R198-L201 PolarHBondContact O-N 3.42Å; L201-M238 HydrophobicContact CD1-CE 4.33Å; L201-M238 HydrophobicContact CD2-CE 4.03Å; L201-M238 HydrophobicContact CG-CE 3.73Å; L201-L256 HydrophobicContact CD1-CD2 4.09Å; L201-L256 HydrophobicContact CD2-CD2 4.18Å; L201-V259 HydrophobicContact CD2-CB 4.48Å; L201-V259 HydrophobicContact CD2-CG1 4.06Å; L201-F295 HydrophobicContact CD1-CZ 3.92Å
202S76Confident85.6Confident41 Ų4132.7 Ų32.729%0.28716%0.164SC..  trans-145.886.4-173.5-73.60000109.6R198 N204 N205R198-S202 CarbonylContact O-C 3.5Å; R198-S202 PolarHBondContact O-N 3.03Å; S202-N204 PolarHBondContact O-N 2.81Å; S202-N205 PolarHBondContact O-N 3.21Å; S202-N205 VanDerWaalsContact O-N 3.08Å
203P66.9Low86.4Confident59 Ų5930 Ų3038%0.38315%0.152SC..THydrogen-bonded Turntrans-55.1-26.6-175.4-27.834.7000113.6Y206P203-Y206 WeakPolarHBondContact O-CE1 3.47Å; P203-Y206 VanDerWaalsContact O-CE2 3.28Å; P203-Y206 WeakPolarHBondContact O-CE2 3.37Å; P203-Y206 PolarHBondContact O-OH 2.93Å
204N65Low86.6Confident55 Ų5525.4 Ų25.429%0.29414%0.136SC..THydrogen-bonded Turntrans-90.3-0.9-175.4-60.6-34000115S180 S202 Y206S180-N204 PolarHBondContact OG-O 3.38Å; S180-N204 VanDerWaalsContact OG-O 3.1Å; S202-N204 PolarHBondContact O-N 2.81Å; N204-Y206 PolarHBondContact O-N 3.48Å
205N68.1Low86.8Confident72 Ų7224.4 Ų24.439%0.38513%0.132SC..  trans-99.973.6-178.3-166.917.2000111.6S202S202-N205 PolarHBondContact O-N 3.21Å; S202-N205 VanDerWaalsContact O-N 3.08Å
206Y75.7Confident87.2Confident22 Ų2223 Ų239%0.08613%0.127CC..  trans-85.3125.2-178.7-52.1-77.3000111.3R148 H181 G183 L185 L199 P203 N204 I210R148-Y206 VanDerWaalsContact NH2-CE1 3.31Å; R148-Y206 PolarHBondContact NH2-OH 3.27Å; H181-Y206 HydrophobicContact CB-CD2 4.12Å; H181-Y206 HydrophobicContact CB-CE2 4.22Å; G183-Y206 PolarHBondContact O-OH 2.87Å; L185-Y206 HydrophobicContact CD1-CE1 3.75Å; L185-Y206 WeakPolarHBondContact CD1-OH 3.47Å; L185-Y206 HydrophobicContact CG-CE1 4.29Å; L185-Y206 VanDerWaalsContact CG-OH 3.25Å; L185-Y206 WeakPolarHBondContact CG-OH 3.38Å; L199-Y206 HydrophobicContact CD1-CD1 3.97Å; L199-Y206 HydrophobicContact CD1-CE1 3.57Å; P203-Y206 WeakPolarHBondContact O-CE1 3.47Å; P203-Y206 VanDerWaalsContact O-CE2 3.28Å; P203-Y206 WeakPolarHBondContact O-CE2 3.37Å; P203-Y206 PolarHBondContact O-OH 2.93Å; N204-Y206 PolarHBondContact O-N 3.48Å; Y206-I210 HydrophobicContact CD1-CD1 3.91Å
207T87.9Confident87.5Confident47 Ų4723 Ų2329%0.28813%0.127SC..  trans-133.9164.6173.763.30000109.4A209 I210T207-A209 PolarHBondContact O-N 3.07Å; T207-A209 WeakPolarHBondContact OG1-CB 3.37Å; T207-I210 VanDerWaalsContact O-CG1 3.25Å; T207-I210 WeakPolarHBondContact O-CG1 3.3Å; T207-I210 PolarHBondContact O-N 3.09Å; T207-I210 VanDerWaalsContact O-N 3.08Å
208K93.1Very high87.8Confident71 Ų7123.1 Ų23.131%0.30913%0.127SC..THydrogen-bonded Turntrans-53.1-28174-67.6168.4-176.6-176.50112.3H141 N144 L146 V175 I210 D211 M212H141-K208 HydrophobicContact CB-CD 3.91Å; H141-K208 HydrophobicContact CB-CG 4.17Å; H141-K208 PolarHBondContact CE1-O 3.41Å; H141-K208 VanDerWaalsContact CE1-O 3.26Å; H141-K208 WeakPolarHBondContact O-CE 3.38Å; H141-K208 PolarHBondContact O-NZ 3.3Å; N144-K208 PolarHBondContact OD1-NZ 3.14Å; N144-K208 VanDerWaalsContact OD1-NZ 3.08Å; L146-K208 VanDerWaalsContact CD2-CA 3.46Å; L146-K208 HydrophobicContact CD2-CB 4.17Å; L146-K208 HydrophobicContact CD2-CG 3.66Å; V175-K208 HydrophobicContact CG2-CG 4.44Å; K208-I210 PolarHBondContact O-N 3.01Å; K208-D211 PolarHBondContact O-N 2.77Å; K208-M212 PolarHBondContact O-N 2.89Å
209A93.8Very high88.3Confident13 Ų1322 Ų2211%0.10712%0.123CC..Hα-helixtrans-62.3-24.3179.300000113.9T207 M212 W213 P297 R300T207-A209 PolarHBondContact O-N 3.07Å; T207-A209 WeakPolarHBondContact OG1-CB 3.37Å; A209-M212 PolarHBondContact O-N 3.44Å; A209-W213 PolarHBondContact O-N 3.49Å; A209-P297 HydrophobicContact CB-CB 3.65Å; A209-R300 VanDerWaalsContact C-NH1 3.3Å; A209-R300 WeakPolarHBondContact O-CD 3.46Å; A209-R300 PolarHBondContact O-NH1 3.48Å
210I93.4Very high89Confident9 Ų921.2 Ų21.25%0.04612%0.119CC..Hα-helixtrans-68.2-36.8179.373.8-167000111.8L146 R148 Y206 T207 K208 W213 A214L146-I210 HydrophobicContact CD1-CD1 4.33Å; R148-I210 HydrophobicContact CG-CD1 3.91Å; Y206-I210 HydrophobicContact CD1-CD1 3.91Å; T207-I210 VanDerWaalsContact O-CG1 3.25Å; T207-I210 WeakPolarHBondContact O-CG1 3.3Å; T207-I210 PolarHBondContact O-N 3.09Å; T207-I210 VanDerWaalsContact O-N 3.08Å; K208-I210 PolarHBondContact O-N 3.01Å; I210-W213 PolarHBondContact O-N 3.5Å; I210-A214 PolarHBondContact O-N 3.02Å
211D96.4Very high89.6Confident2 Ų221.1 Ų21.11%0.01112%0.118CC..Hα-helixtrans-70.8-37.4176.6-68.4-24.3000110.1L137 H141 H147 R148 L150 K208 W213 A214 A215L137-D211 HydrophobicContact CD2-CB 4.09Å; H141-D211 IonicContact CD2-OD2 3.54Å; H141-D211 IonicContact NE2-OD2 3.65Å; H141-D211 PolarHBondContact NE2-OD2 3.14Å; H147-D211 PolarHBondContact N-OD2 3.19Å; R148-D211 PolarHBondContact N-OD1 3.12Å; L150-D211 HydrophobicContact CD1-CB 3.79Å; K208-D211 PolarHBondContact O-N 2.77Å; D211-W213 VanDerWaalsContact C-N 3.34Å; D211-W213 PolarHBondContact O-N 2.86Å; D211-A214 PolarHBondContact O-N 3.34Å; D211-A215 PolarHBondContact O-N 3.01Å
212M98.4Very high90.4Very high1 Ų120 Ų201%0.00511%0.112CC..Hα-helixtrans-62.5-40.3175.1-61.8-55.1-57.900112.1L134 L137 K208 A209 A215 G216 I292 R300 L301 A303L134-M212 HydrophobicContact CD2-CE 3.53Å; L134-M212 HydrophobicContact CD2-SD 4.41Å; L137-M212 HydrophobicContact CD1-SD 4.1Å; K208-M212 PolarHBondContact O-N 2.89Å; A209-M212 PolarHBondContact O-N 3.44Å; M212-A215 PolarHBondContact O-N 3.22Å; M212-G216 PolarHBondContact O-N 2.97Å; M212-I292 HydrophobicContact CB-CG1 4.36Å; M212-I292 HydrophobicContact CE-CD1 3.81Å; M212-I292 HydrophobicContact CE-CG1 4.27Å; M212-I292 VanDerWaalsContact O-CD1 3.32Å; M212-I292 WeakPolarHBondContact O-CD1 3.31Å; M212-I292 WeakPolarHBondContact O-CG1 3.17Å; M212-R300 HydrophobicContact CB-CG 4.35Å; M212-L301 WeakPolarHBondContact CE-O 3.41Å; M212-L301 WeakPolarHBondContact CG-O 3.47Å; M212-A303 HydrophobicContact CE-CB 4.38Å; M212-A303 HydrophobicContact SD-CB 3.91Å; M212-A303 PolarHBondContact SD-N 2.85Å
213W98Very high91.4Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-59.7-48.1173174.8-83.1000111.6R195 S196 P197 A209 I210 D211 A215 G216 C217 F229 I241 I245 L293 T294R195-W213 PolarHBondContact O-NE1 3.15Å; S196-W213 VanDerWaalsContact CA-CD1 3.44Å; S196-W213 VanDerWaalsContact CB-CG 3.47Å; P197-W213 HydrophobicContact CG-CE3 4.46Å; P197-W213 HydrophobicContact CG-CH2 3.75Å; P197-W213 HydrophobicContact CG-CZ2 4.16Å; P197-W213 HydrophobicContact CG-CZ3 3.92Å; A209-W213 PolarHBondContact O-N 3.49Å; I210-W213 PolarHBondContact O-N 3.5Å; D211-W213 VanDerWaalsContact C-N 3.34Å; D211-W213 PolarHBondContact O-N 2.86Å; W213-A215 VanDerWaalsContact C-N 3.29Å; W213-A215 PolarHBondContact O-N 2.81Å; W213-G216 PolarHBondContact O-N 3.41Å; W213-G216 VanDerWaalsContact O-N 3.12Å; W213-C217 PolarHBondContact O-N 3.49Å; W213-F229 HydrophobicContact CH2-CE2 4.05Å; W213-F229 AromaticContact CZ2-CD2 3.95Å; W213-F229 HydrophobicContact CZ2-CD2 3.95Å; W213-F229 AromaticContact CZ2-CE2 3.55Å; W213-F229 HydrophobicContact CZ2-CE2 3.55Å; W213-F229 HydrophobicContact CZ2-CZ 4.44Å; W213-I241 HydrophobicContact CH2-CD1 4.37Å; W213-I241 HydrophobicContact CH2-CG1 4.3Å; W213-I241 HydrophobicContact CH2-CG2 3.64Å; W213-I241 HydrophobicContact CZ2-CD1 3.72Å; W213-I241 HydrophobicContact CZ2-CG1 3.86Å; W213-I241 HydrophobicContact CZ2-CG2 4.08Å; W213-I245 HydrophobicContact CH2-CG1 3.99Å; W213-L293 HydrophobicContact CD2-CD2 3.91Å; W213-L293 HydrophobicContact CE3-CB 4.47Å; W213-L293 HydrophobicContact CE3-CD2 3.89Å; W213-L293 HydrophobicContact CG-CD2 4.44Å; W213-L293 HydrophobicContact CH2-CD2 4.41Å; W213-L293 HydrophobicContact CZ2-CD2 4.41Å; W213-L293 HydrophobicContact CZ3-CB 4.14Å; W213-L293 HydrophobicContact CZ3-CD2 4.16Å; W213-T294 WeakPolarHBondContact CZ3-O 3.26Å
214A97.8Very high92.8Very high4 Ų416.8 Ų16.83%0.0339%0.089CC..Hα-helixtrans-60.1-40.5178.100000111.7L150 I210 D211 G216 C217 I218L150-A214 HydrophobicContact CB-CB 3.69Å; I210-A214 PolarHBondContact O-N 3.02Å; D211-A214 PolarHBondContact O-N 3.34Å; A214-G216 VanDerWaalsContact C-N 3.33Å; A214-G216 PolarHBondContact O-N 3.06Å; A214-C217 PolarHBondContact O-N 3.36Å; A214-I218 VanDerWaalsContact O-CG1 3.26Å; A214-I218 WeakPolarHBondContact O-CG1 3.33Å; A214-I218 PolarHBondContact O-N 2.99Å
215A98.7Very high94.2Very high0 Ų015.6 Ų15.60%09%0.089CC..Hα-helixtrans-61-39.6174.400000112.6M130 L133 L137 D211 M212 W213 I218 L219 I292M130-A215 HydrophobicContact CE-CB 3.75Å; M130-A215 HydrophobicContact SD-CB 4.43Å; L133-A215 HydrophobicContact CD2-CB 3.78Å; L133-A215 HydrophobicContact CG-CB 4.31Å; L137-A215 HydrophobicContact CD1-CB 4.02Å; D211-A215 PolarHBondContact O-N 3.01Å; M212-A215 PolarHBondContact O-N 3.22Å; W213-A215 VanDerWaalsContact C-N 3.29Å; W213-A215 PolarHBondContact O-N 2.81Å; A215-I218 PolarHBondContact O-N 3.48Å; A215-L219 PolarHBondContact O-N 2.89Å; A215-I292 HydrophobicContact CB-CD1 4.4Å
216G98.6Very high95.4Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-61.4-44.7172.500000113.2M212 W213 A214 I218 L219 A220 L289M212-G216 PolarHBondContact O-N 2.97Å; W213-G216 PolarHBondContact O-N 3.41Å; W213-G216 VanDerWaalsContact O-N 3.12Å; A214-G216 VanDerWaalsContact C-N 3.33Å; A214-G216 PolarHBondContact O-N 3.06Å; G216-I218 VanDerWaalsContact C-N 3.34Å; G216-I218 PolarHBondContact O-N 3.05Å; G216-L219 PolarHBondContact O-N 3.46Å; G216-A220 PolarHBondContact O-N 3.25Å; G216-A220 VanDerWaalsContact O-N 3.11Å; G216-L289 VanDerWaalsContact O-CD2 3.3Å; G216-L289 WeakPolarHBondContact O-CD2 3.42Å
217C98.5Very high96.3Very high2 Ų221.3 Ų21.31%0.01411%0.108CC..Hα-helixtrans-61.3-42.6174.1-69.50000111.9Y194 W213 A214 A220 E221Y194-C217 HydrophobicContact CD1-CB 3.76Å; Y194-C217 HydrophobicContact CE1-CB 4.29Å; W213-C217 PolarHBondContact O-N 3.49Å; A214-C217 PolarHBondContact O-N 3.36Å; C217-A220 PolarHBondContact O-N 3.49Å; C217-E221 WeakPolarHBondContact O-CB 3.4Å; C217-E221 PolarHBondContact O-N 3.17Å
218I98.5Very high96.7Very high1 Ų120.2 Ų20.21%0.00510%0.101CC..Hα-helixtrans-62.3-43.2177.8-69.2163.7000110.7L112 L133 L150 P152 I155 Y194 A214 A215 G216 E221 M222L112-I218 HydrophobicContact CD2-CG2 3.55Å; L133-I218 HydrophobicContact CD2-CD1 4.37Å; L133-I218 HydrophobicContact CD2-CG2 4.34Å; L150-I218 HydrophobicContact CB-CD1 4.28Å; P152-I218 HydrophobicContact CG-CG1 4.31Å; I155-I218 HydrophobicContact CG1-CD1 4.24Å; Y194-I218 HydrophobicContact CD1-CG1 4.03Å; Y194-I218 HydrophobicContact CE1-CG1 3.94Å; A214-I218 VanDerWaalsContact O-CG1 3.26Å; A214-I218 WeakPolarHBondContact O-CG1 3.33Å; A214-I218 PolarHBondContact O-N 2.99Å; A215-I218 PolarHBondContact O-N 3.48Å; G216-I218 VanDerWaalsContact C-N 3.34Å; G216-I218 PolarHBondContact O-N 3.05Å; I218-E221 PolarHBondContact O-N 3.4Å; I218-M222 HydrophobicContact CG2-CE 4.28Å; I218-M222 HydrophobicContact CG2-CG 4.42Å; I218-M222 WeakPolarHBondContact O-CG 3.49Å; I218-M222 PolarHBondContact O-N 3.44Å
219L98.6Very high96.9Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-60.1-47.8175.7174.262.3000112A126 M130 A215 G216 E221 M222 L223 F288 L289 Y311A126-L219 HydrophobicContact CB-CD1 4.47Å; M130-L219 HydrophobicContact CB-CD1 3.99Å; M130-L219 HydrophobicContact CG-CB 4.35Å; M130-L219 HydrophobicContact CG-CD1 4.22Å; M130-L219 HydrophobicContact CG-CD2 4.14Å; M130-L219 HydrophobicContact CG-CG 4.46Å; M130-L219 HydrophobicContact SD-CB 3.86Å; A215-L219 PolarHBondContact O-N 2.89Å; G216-L219 PolarHBondContact O-N 3.46Å; L219-E221 PolarHBondContact O-N 3.5Å; L219-M222 HydrophobicContact CB-CE 4.4Å; L219-M222 HydrophobicContact CD1-CE 4.07Å; L219-M222 PolarHBondContact O-N 3.24Å; L219-L223 HydrophobicContact CD1-CD1 3.78Å; L219-L223 HydrophobicContact CD1-CG 4.03Å; L219-L223 HydrophobicContact CG-CD1 3.87Å; L219-L223 VanDerWaalsContact O-CG 3.32Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 3.08Å; L219-F288 HydrophobicContact CD2-CD1 3.43Å; L219-F288 VanDerWaalsContact CD2-CD1 3.43Å; L219-F288 HydrophobicContact CD2-CE1 3.69Å; L219-L289 HydrophobicContact CB-CD2 4.22Å; L219-L289 HydrophobicContact CD2-CD2 3.89Å; L219-L289 HydrophobicContact CD2-CG 4.16Å; L219-L289 HydrophobicContact CG-CD2 4.14Å; L219-Y311 HydrophobicContact CD1-CE1 4.16Å; L219-Y311 HydrophobicContact CD2-CE1 3.99Å
220A98.2Very high96.9Very high1 Ų118.7 Ų18.71%0.00810%0.101CC..Hα-helixtrans-59.6-38177.600000111.6G216 C217 L223 T224 L228 L278 L289G216-A220 PolarHBondContact O-N 3.25Å; G216-A220 VanDerWaalsContact O-N 3.11Å; C217-A220 PolarHBondContact O-N 3.49Å; A220-L223 PolarHBondContact O-N 3.47Å; A220-T224 WeakPolarHBondContact O-CB 3.14Å; A220-T224 VanDerWaalsContact O-CG2 3.24Å; A220-T224 WeakPolarHBondContact O-CG2 3.33Å; A220-T224 PolarHBondContact O-N 3.41Å; A220-T224 VanDerWaalsContact O-N 3.14Å; A220-T224 PolarHBondContact O-OG1 3.37Å; A220-L228 HydrophobicContact CB-CB 4.04Å; A220-L228 HydrophobicContact CB-CD1 4.17Å; A220-L228 HydrophobicContact CB-CD2 3.8Å; A220-L228 HydrophobicContact CB-CG 4.22Å; A220-L278 HydrophobicContact CB-CD1 4.35Å; A220-L289 HydrophobicContact CB-CD1 4.3Å; A220-L289 HydrophobicContact CB-CD2 4.15Å
221E97.6Very high96.8Very high19 Ų1918.4 Ų18.49%0.08910%0.1CC..Hα-helixtrans-69.1-39.9176.1-167.3168.7145.300112.6L116 Y194 C217 I218 L219 L223 T224 G225 R226L116-E221 HydrophobicContact CD1-CG 3.91Å; Y194-E221 PolarHBondContact OH-OE1 3.43Å; Y194-E221 PolarHBondContact OH-OE2 3.11Å; C217-E221 WeakPolarHBondContact O-CB 3.4Å; C217-E221 PolarHBondContact O-N 3.17Å; I218-E221 PolarHBondContact O-N 3.4Å; L219-E221 PolarHBondContact O-N 3.5Å; E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.2Å; E221-T224 PolarHBondContact O-N 2.75Å; E221-G225 WeakPolarHBondContact O-CA 3.11Å; E221-G225 PolarHBondContact O-N 3.18Å; E221-R226 WeakPolarHBondContact CA-O 3.34Å
222M98.3Very high96.4Very high1 Ų122.2 Ų22.21%0.00513%0.132CC..Hα-helixtrans-59.3-42173.7-71.7-169.6-65.600112.5L112 L121 A126 F129 M130 I218 L219L112-M222 HydrophobicContact CD1-CG 4.07Å; L112-M222 HydrophobicContact CD1-SD 4.1Å; L112-M222 HydrophobicContact CD2-CG 3.91Å; L112-M222 HydrophobicContact CD2-SD 3.9Å; L112-M222 HydrophobicContact CG-CG 4.47Å; L121-M222 HydrophobicContact CD1-CB 4.16Å; L121-M222 HydrophobicContact CD1-CG 4Å; L121-M222 HydrophobicContact CD1-SD 4.03Å; L121-M222 PolarHBondContact N-O 3.11Å; A126-M222 HydrophobicContact CB-CB 3.79Å; A126-M222 WeakPolarHBondContact O-CE 3.46Å; F129-M222 HydrophobicContact CB-CE 4.31Å; F129-M222 HydrophobicContact CB-SD 3.84Å; F129-M222 HydrophobicContact CD2-SD 4.27Å; M130-M222 HydrophobicContact CB-CE 4.14Å; I218-M222 HydrophobicContact CG2-CE 4.28Å; I218-M222 HydrophobicContact CG2-CG 4.42Å; I218-M222 WeakPolarHBondContact O-CG 3.49Å; I218-M222 PolarHBondContact O-N 3.44Å; L219-M222 HydrophobicContact CB-CE 4.4Å; L219-M222 HydrophobicContact CD1-CE 4.07Å; L219-M222 PolarHBondContact O-N 3.24Å
223L97.8Very high95.8Very high22 Ų2226.6 Ų26.612%0.11515%0.152CC..Hα-helixtrans-74.1-26.8-177.1-68168.5000113.3E123 A126 L219 A220 E221 V281 A285E123-L223 HydrophobicContact CB-CD2 4.49Å; E123-L223 HydrophobicContact CG-CD2 3.95Å; A126-L223 HydrophobicContact CB-CD2 3.71Å; A126-L223 HydrophobicContact CB-CG 4.18Å; L219-L223 HydrophobicContact CD1-CD1 3.78Å; L219-L223 HydrophobicContact CD1-CG 4.03Å; L219-L223 HydrophobicContact CG-CD1 3.87Å; L219-L223 VanDerWaalsContact O-CG 3.32Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 3.08Å; A220-L223 PolarHBondContact O-N 3.47Å; E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.2Å; L223-V281 HydrophobicContact CB-CG2 4.09Å; L223-V281 HydrophobicContact CD1-CG1 3.83Å; L223-V281 HydrophobicContact CD1-CG2 4.47Å; L223-A285 HydrophobicContact CD1-CB 4.04Å
224T96.2Very high95.2Very high10 Ų1030 Ų306%0.06117%0.168CC..Hα-helixtrans-116.8-16-170.365.10000113.6T120 A220 E221 R226 L278 V281T120-T224 WeakPolarHBondContact CG2-O 3.32Å; A220-T224 WeakPolarHBondContact O-CB 3.14Å; A220-T224 VanDerWaalsContact O-CG2 3.24Å; A220-T224 WeakPolarHBondContact O-CG2 3.33Å; A220-T224 PolarHBondContact O-N 3.41Å; A220-T224 VanDerWaalsContact O-N 3.14Å; A220-T224 PolarHBondContact O-OG1 3.37Å; E221-T224 PolarHBondContact O-N 2.75Å; T224-R226 VanDerWaalsContact O-CG 3.26Å; T224-R226 WeakPolarHBondContact O-CG 3.45Å; T224-R226 PolarHBondContact O-N 3.08Å; T224-R226 PolarHBondContact OG1-N 3.43Å; T224-R226 VanDerWaalsContact OG1-N 3.16Å; T224-R226 PolarHBondContact OG1-O 3.1Å; T224-R226 VanDerWaalsContact OG1-O 3.11Å; T224-L278 HydrophobicContact CG2-CD2 3.63Å; T224-V281 HydrophobicContact CG2-CG2 4.04Å
225G95.2Very high94.7Very high30 Ų3032.7 Ų32.731%0.30918%0.181SC..SBendtrans63.715.2-168.900000113.6E221E221-G225 WeakPolarHBondContact O-CA 3.11Å; E221-G225 PolarHBondContact O-N 3.18Å
226R93.2Very high94.2Very high163 Ų16335.7 Ų35.762%0.61520%0.195SC*.SBendtrans-131141.8-177.4-30.5-175.5-160.8148.216.1110E221 T224 L228 E280E221-R226 WeakPolarHBondContact CA-O 3.34Å; T224-R226 VanDerWaalsContact O-CG 3.26Å; T224-R226 WeakPolarHBondContact O-CG 3.45Å; T224-R226 PolarHBondContact O-N 3.08Å; T224-R226 PolarHBondContact OG1-N 3.43Å; T224-R226 VanDerWaalsContact OG1-N 3.16Å; T224-R226 PolarHBondContact OG1-O 3.1Å; T224-R226 VanDerWaalsContact OG1-O 3.11Å; R226-L228 PolarHBondContact O-N 2.8Å; R226-E280 IonicContact NH2-OE1 3.73Å; R226-E280 PolarHBondContact NH2-OE1 2.82Å
227M94.6Very high94Very high52 Ų5235.7 Ų35.726%0.25620%0.195SC..  trans-58.1124.7172.7-54.8-153.478.900111W193 Y194 A230W193-M227 HydrophobicContact CB-CE 3.6Å; W193-M227 HydrophobicContact CD2-CE 3.48Å; W193-M227 VanDerWaalsContact CD2-CE 3.48Å; W193-M227 HydrophobicContact CD2-SD 3.57Å; W193-M227 VanDerWaalsContact CD2-SD 3.57Å; W193-M227 HydrophobicContact CE3-CE 2.99Å; W193-M227 HydrophobicContact CE3-SD 3.12Å; W193-M227 HydrophobicContact CG-CE 3.8Å; W193-M227 HydrophobicContact CG-SD 4.28Å; W193-M227 HydrophobicContact CH2-SD 3.78Å; W193-M227 HydrophobicContact CZ2-SD 4.25Å; W193-M227 HydrophobicContact CZ3-CE 3.69Å; W193-M227 HydrophobicContact CZ3-SD 3.21Å; W193-M227 WeakPolarHBondContact CZ3-SD 3.44Å; Y194-M227 HydrophobicContact CE2-CE 3.9Å; Y194-M227 VanDerWaalsContact OH-CE 3.27Å; Y194-M227 WeakPolarHBondContact OH-CE 3.49Å; M227-A230 HydrophobicContact CB-CB 3.95Å; M227-A230 HydrophobicContact SD-CB 4.39Å
228L96.2Very high93.6Very high24 Ų2435.8 Ų35.813%0.12620%0.196CC..SBendtrans-65.6-44.5-178.1-176.962.5000112.2A220 R226 L274 L277 L278 L293A220-L228 HydrophobicContact CB-CB 4.04Å; A220-L228 HydrophobicContact CB-CD1 4.17Å; A220-L228 HydrophobicContact CB-CD2 3.8Å; A220-L228 HydrophobicContact CB-CG 4.22Å; R226-L228 PolarHBondContact O-N 2.8Å; L228-L274 HydrophobicContact CD1-CD2 4.28Å; L228-L274 HydrophobicContact CD2-CD2 4.38Å; L228-L277 HydrophobicContact CD1-CD2 3.79Å; L228-L278 HydrophobicContact CD1-CD1 4.27Å; L228-L278 HydrophobicContact CD1-CD2 4.47Å; L228-L293 HydrophobicContact CD2-CD1 3.43Å; L228-L293 VanDerWaalsContact CD2-CD1 3.43Å
229F96.2Very high93.3Very high3 Ų338.4 Ų38.41%0.01321%0.208CC..  trans-131.495.5-179.5-54.4-58.7000109.9W193 W213 Q237 L240 I241 T244 I245W193-F229 WeakPolarHBondContact CA-O 3.05Å; W193-F229 WeakPolarHBondContact CB-O 3.44Å; W213-F229 HydrophobicContact CH2-CE2 4.05Å; W213-F229 AromaticContact CZ2-CD2 3.95Å; W213-F229 HydrophobicContact CZ2-CD2 3.95Å; W213-F229 AromaticContact CZ2-CE2 3.55Å; W213-F229 HydrophobicContact CZ2-CE2 3.55Å; W213-F229 HydrophobicContact CZ2-CZ 4.44Å; F229-Q237 PolarHBondContact O-NE2 2.97Å; F229-Q237 VanDerWaalsContact O-NE2 3.12Å; F229-Q237 PolarHBondContact O-OE1 3.03Å; F229-L240 HydrophobicContact CD1-CB 4.11Å; F229-I241 HydrophobicContact CB-CG1 4.47Å; F229-I241 HydrophobicContact CD1-CG1 4.1Å; F229-I241 HydrophobicContact CD2-CG1 3.97Å; F229-I241 HydrophobicContact CE1-CG1 4.32Å; F229-I241 HydrophobicContact CE2-CG1 4.19Å; F229-I241 HydrophobicContact CG-CG1 3.92Å; F229-I241 HydrophobicContact CZ-CG1 4.36Å; F229-T244 HydrophobicContact CE1-CG2 4.11Å; F229-T244 HydrophobicContact CZ-CG2 4.33Å; F229-I245 HydrophobicContact CZ-CD1 4.2Å; F229-I245 HydrophobicContact CZ-CG1 3.95Å
230A93.7Very high93Very high49 Ų4940.9 Ų40.941%0.40522%0.221SC..  trans-106.456.7-175.500000112.8M227M227-A230 HydrophobicContact CB-CB 3.95Å; M227-A230 HydrophobicContact SD-CB 4.39Å
231G91.8Very high92.9Very high2 Ų240.8 Ų40.82%0.02122%0.22CC..  trans-71.8140.1177.400000112W193 H233W193-G231 PolarHBondContact NE1-O 2.75Å; G231-H233 VanDerWaalsContact C-N 3.27Å; G231-H233 PolarHBondContact O-N 3.42Å
232A87.8Confident92.7Very high83 Ų8340.2 Ų40.269%0.68622%0.218SC*.SBendtrans-72.1-25.5176.600000112E236A232-E236 WeakPolarHBondContact CA-OE2 3.45Å; A232-E236 WeakPolarHBondContact CB-OE2 3.49Å; A232-E236 PolarHBondContact N-OE2 3.44Å
233H85.9Confident92.4Very high92 Ų9243.1 Ų43.143%0.42623%0.231SC..SBendtrans-146.7171.1-178.757.5-57.7000111.2G231 L235 E236 Q237G231-H233 VanDerWaalsContact C-N 3.27Å; G231-H233 PolarHBondContact O-N 3.42Å; H233-L235 VanDerWaalsContact C-N 3.32Å; H233-L235 PolarHBondContact O-N 2.86Å; H233-E236 VanDerWaalsContact CE1-CB 3.44Å; H233-E236 WeakPolarHBondContact CE1-CB 3.35Å; H233-E236 IonicContact CE1-OE2 2.83Å; H233-E236 PolarHBondContact CE1-OE2 2.82Å; H233-E236 WeakPolarHBondContact ND1-CB 3.4Å; H233-E236 IonicContact ND1-OE2 3.68Å; H233-E236 PolarHBondContact ND1-OE2 3.5Å; H233-E236 PolarHBondContact O-N 2.72Å; H233-Q237 WeakPolarHBondContact O-CB 3.3Å; H233-Q237 PolarHBondContact O-N 2.89Å
234E85.5Confident92.3Very high71 Ų7142.5 Ų42.533%0.33223%0.228SC..Hα-helixtrans-64.8-35.8-168.8-65.3-178.7161.800113K192 R195 L200 Q237 M238K192-E234 HydrophobicContact CD-CG 3.89Å; R195-E234 IonicContact NH1-OE1 2.9Å; R195-E234 PolarHBondContact NH1-OE1 3.22Å; L200-E234 HydrophobicContact CD2-CB 4.16Å; L200-E234 HydrophobicContact CD2-CG 4.16Å; E234-Q237 PolarHBondContact O-N 2.86Å; E234-M238 PolarHBondContact O-N 2.73Å
235L86.9Confident92.3Very high62 Ų6242.1 Ų42.133%0.32523%0.226SC..Hα-helixtrans-64.8-49.3175.6-179.661.3000111.6H233 Q237 M238 Q239 M260 F263H233-L235 VanDerWaalsContact C-N 3.32Å; H233-L235 PolarHBondContact O-N 2.86Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-Q237 PolarHBondContact O-N 3.08Å; L235-M238 WeakPolarHBondContact O-CB 3.46Å; L235-M238 PolarHBondContact O-N 3.09Å; L235-Q239 WeakPolarHBondContact O-CG 3.45Å; L235-Q239 PolarHBondContact O-N 3Å; L235-M260 HydrophobicContact CD1-CE 3.34Å; L235-M260 HydrophobicContact CD1-SD 4.29Å; L235-F263 HydrophobicContact CD1-CD2 4.27Å; L235-F263 HydrophobicContact CD1-CE2 3.94Å; L235-F263 HydrophobicContact CD1-CZ 4.48Å; L235-F263 HydrophobicContact CD2-CE2 4.18Å; L235-F263 HydrophobicContact CD2-CZ 4.2Å
236E89.8Confident92.2Very high63 Ų6344 Ų4429%0.29423%0.232SC..Hα-helixtrans-65-37.8177.2-176.7-179.4-169.900112A232 H233 M238 Q239 L240A232-E236 WeakPolarHBondContact CA-OE2 3.45Å; A232-E236 WeakPolarHBondContact CB-OE2 3.49Å; A232-E236 PolarHBondContact N-OE2 3.44Å; H233-E236 VanDerWaalsContact CE1-CB 3.44Å; H233-E236 WeakPolarHBondContact CE1-CB 3.35Å; H233-E236 IonicContact CE1-OE2 2.83Å; H233-E236 PolarHBondContact CE1-OE2 2.82Å; H233-E236 WeakPolarHBondContact ND1-CB 3.4Å; H233-E236 IonicContact ND1-OE2 3.68Å; H233-E236 PolarHBondContact ND1-OE2 3.5Å; H233-E236 PolarHBondContact O-N 2.72Å; E236-M238 VanDerWaalsContact C-N 3.32Å; E236-M238 PolarHBondContact O-N 3.26Å; E236-Q239 WeakPolarHBondContact O-CB 3.09Å; E236-Q239 PolarHBondContact O-N 3.01Å; E236-L240 WeakPolarHBondContact O-CG 3.31Å; E236-L240 PolarHBondContact O-N 3.28Å
237Q92.8Very high92.1Very high0 Ų036.4 Ų36.40%021%0.205CC..Hα-helixtrans-57.7-47.1172.4-174.468.515.100110.8W193 L200 F229 H233 E234 L235 L240 I241W193-Q237 PolarHBondContact O-NE2 2.73Å; L200-Q237 HydrophobicContact CD1-CB 4.2Å; L200-Q237 HydrophobicContact CD1-CG 3.78Å; L200-Q237 HydrophobicContact CD2-CG 4.5Å; F229-Q237 PolarHBondContact O-NE2 2.97Å; F229-Q237 VanDerWaalsContact O-NE2 3.12Å; F229-Q237 PolarHBondContact O-OE1 3.03Å; H233-Q237 WeakPolarHBondContact O-CB 3.3Å; H233-Q237 PolarHBondContact O-N 2.89Å; E234-Q237 PolarHBondContact O-N 2.86Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-Q237 PolarHBondContact O-N 3.08Å; Q237-L240 PolarHBondContact O-N 2.99Å; Q237-I241 HydrophobicContact CG-CD1 4.3Å; Q237-I241 VanDerWaalsContact O-CG1 3.26Å; Q237-I241 WeakPolarHBondContact O-CG1 3.25Å; Q237-I241 PolarHBondContact O-N 2.96Å
238M91.6Very high91.9Very high4 Ų439.8 Ų39.82%0.0222%0.222CC..Hα-helixtrans-62.9-41.1175.7-178.260.27500111.8P197 L200 L201 E234 L235 E236 I241 L242 M260 F295P197-M238 HydrophobicContact CB-CE 4.16Å; P197-M238 HydrophobicContact CB-SD 4.4Å; P197-M238 WeakPolarHBondContact O-CE 3.45Å; L200-M238 HydrophobicContact CB-CE 3.74Å; L200-M238 HydrophobicContact CD1-CB 4.32Å; L200-M238 HydrophobicContact CD1-CE 4.07Å; L201-M238 HydrophobicContact CD1-CE 4.33Å; L201-M238 HydrophobicContact CD2-CE 4.03Å; L201-M238 HydrophobicContact CG-CE 3.73Å; E234-M238 PolarHBondContact O-N 2.73Å; L235-M238 WeakPolarHBondContact O-CB 3.46Å; L235-M238 PolarHBondContact O-N 3.09Å; E236-M238 VanDerWaalsContact C-N 3.32Å; E236-M238 PolarHBondContact O-N 3.26Å; M238-I241 PolarHBondContact O-N 2.85Å; M238-L242 HydrophobicContact CG-CD1 3.85Å; M238-L242 HydrophobicContact CG-CG 4.22Å; M238-L242 WeakPolarHBondContact O-CB 3.4Å; M238-L242 WeakPolarHBondContact O-CG 3.49Å; M238-L242 PolarHBondContact O-N 3.32Å; M238-L242 HydrophobicContact SD-CD1 4.12Å; M238-L242 HydrophobicContact SD-CD2 4.42Å; M238-L242 HydrophobicContact SD-CG 4Å; M238-M260 HydrophobicContact CG-CE 4.09Å; M238-M260 HydrophobicContact CG-SD 3.75Å; M238-F295 HydrophobicContact SD-CE2 4.26Å
239Q90.7Very high91.6Very high55 Ų5542.9 Ų42.926%0.25723%0.232SC..Hα-helixtrans-59.9-48.7177.5-72.9168-6.100111.8L235 E236 I241 L242 E243 F263L235-Q239 WeakPolarHBondContact O-CG 3.45Å; L235-Q239 PolarHBondContact O-N 3Å; E236-Q239 WeakPolarHBondContact O-CB 3.09Å; E236-Q239 PolarHBondContact O-N 3.01Å; Q239-I241 PolarHBondContact O-N 3.22Å; Q239-L242 PolarHBondContact O-N 2.97Å; Q239-L242 VanDerWaalsContact O-N 3.16Å; Q239-E243 WeakPolarHBondContact O-CG 3.49Å; Q239-E243 PolarHBondContact O-N 3.35Å; Q239-F263 HydrophobicContact CG-CD1 4.41Å; Q239-F263 VanDerWaalsContact NE2-CZ 3.3Å
240L93.9Very high91.2Very high52 Ų5248.1 Ų48.127%0.27226%0.257SS..Hα-helixtrans-58.4-39.1177.3-69.5173.2000112F229 E236 Q237 E243 T244F229-L240 HydrophobicContact CD1-CB 4.11Å; E236-L240 WeakPolarHBondContact O-CG 3.31Å; E236-L240 PolarHBondContact O-N 3.28Å; Q237-L240 PolarHBondContact O-N 2.99Å; L240-E243 PolarHBondContact O-N 2.87Å; L240-T244 PolarHBondContact O-OG1 2.78Å
241I95.3Very high91Very high0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-65.5-49.7175.8-64.7166.4000110.6P197 L200 W213 F229 Q237 M238 Q239 E243 T244 I245P197-I241 HydrophobicContact CG-CD1 4.19Å; P197-I241 HydrophobicContact CG-CG2 3.76Å; L200-I241 HydrophobicContact CD1-CD1 3.96Å; W213-I241 HydrophobicContact CH2-CD1 4.37Å; W213-I241 HydrophobicContact CH2-CG1 4.3Å; W213-I241 HydrophobicContact CH2-CG2 3.64Å; W213-I241 HydrophobicContact CZ2-CD1 3.72Å; W213-I241 HydrophobicContact CZ2-CG1 3.86Å; W213-I241 HydrophobicContact CZ2-CG2 4.08Å; F229-I241 HydrophobicContact CB-CG1 4.47Å; F229-I241 HydrophobicContact CD1-CG1 4.1Å; F229-I241 HydrophobicContact CD2-CG1 3.97Å; F229-I241 HydrophobicContact CE1-CG1 4.32Å; F229-I241 HydrophobicContact CE2-CG1 4.19Å; F229-I241 HydrophobicContact CG-CG1 3.92Å; F229-I241 HydrophobicContact CZ-CG1 4.36Å; Q237-I241 HydrophobicContact CG-CD1 4.3Å; Q237-I241 VanDerWaalsContact O-CG1 3.26Å; Q237-I241 WeakPolarHBondContact O-CG1 3.25Å; Q237-I241 PolarHBondContact O-N 2.96Å; M238-I241 PolarHBondContact O-N 2.85Å; Q239-I241 PolarHBondContact O-N 3.22Å; I241-E243 PolarHBondContact O-N 3.39Å; I241-T244 PolarHBondContact O-N 3.26Å; I241-I245 HydrophobicContact CG2-CB 4.03Å; I241-I245 HydrophobicContact CG2-CG1 3.99Å; I241-I245 WeakPolarHBondContact O-CB 3.33Å; I241-I245 PolarHBondContact O-N 3.28Å
242L93.4Very high90.9Very high7 Ų751.1 Ų51.14%0.03726%0.262CS..Hα-helixtrans-66.1-23.4179.7-67.7176.8000112.7M238 Q239 T244 V247 L256 V264 W268 F295M238-L242 HydrophobicContact CG-CD1 3.85Å; M238-L242 HydrophobicContact CG-CG 4.22Å; M238-L242 WeakPolarHBondContact O-CB 3.4Å; M238-L242 WeakPolarHBondContact O-CG 3.49Å; M238-L242 PolarHBondContact O-N 3.32Å; M238-L242 HydrophobicContact SD-CD1 4.12Å; M238-L242 HydrophobicContact SD-CD2 4.42Å; M238-L242 HydrophobicContact SD-CG 4Å; Q239-L242 PolarHBondContact O-N 2.97Å; Q239-L242 VanDerWaalsContact O-N 3.16Å; L242-T244 PolarHBondContact O-N 3.37Å; L242-V247 HydrophobicContact CD2-CG2 3.76Å; L242-L256 HydrophobicContact CD1-CD2 4.45Å; L242-L256 HydrophobicContact CD2-CD1 3.84Å; L242-V264 HydrophobicContact CD1-CG2 4Å; L242-W268 HydrophobicContact CB-CZ2 3.75Å; L242-W268 HydrophobicContact CD2-CH2 4.07Å; L242-W268 HydrophobicContact CD2-CZ2 3.73Å; L242-W268 HydrophobicContact CG-CZ2 4.29Å; L242-W268 WeakPolarHBondContact O-CZ2 3.46Å; L242-F295 HydrophobicContact CD2-CD2 4.14Å; L242-F295 HydrophobicContact CD2-CE2 3.78Å
243E92.7Very high91Very high61 Ų6150 Ų5029%0.28524%0.242SC..Hα-helixtrans-70.4-20.3171.6-74.2-169.4163.200113.4Q239 L240 I241 V270 K271 R272Q239-E243 WeakPolarHBondContact O-CG 3.49Å; Q239-E243 PolarHBondContact O-N 3.35Å; L240-E243 PolarHBondContact O-N 2.87Å; I241-E243 PolarHBondContact O-N 3.39Å; E243-V270 VanDerWaalsContact O-CG1 3.3Å; E243-V270 WeakPolarHBondContact O-CG1 3.19Å; E243-K271 PolarHBondContact O-N 3.35Å; E243-K271 IonicContact OE1-NZ 3.33Å; E243-R272 PolarHBondContact O-N 3.23Å
244T95.1Very high91.1Very high9 Ų949.7 Ų49.76%0.05524%0.243CC..Hα-helixtrans-118.3-38.8-167.4-50.20000113.7F229 L240 I241 L242 V270 R272 L274 L277F229-T244 HydrophobicContact CE1-CG2 4.11Å; F229-T244 HydrophobicContact CZ-CG2 4.33Å; L240-T244 PolarHBondContact O-OG1 2.78Å; I241-T244 PolarHBondContact O-N 3.26Å; L242-T244 PolarHBondContact O-N 3.37Å; T244-V270 VanDerWaalsContact O-CG1 3.28Å; T244-V270 WeakPolarHBondContact O-CG1 3.35Å; T244-R272 WeakPolarHBondContact CA-O 3.27Å; T244-R272 WeakPolarHBondContact CG2-O 3.32Å; T244-L274 HydrophobicContact CG2-CD2 3.66Å; T244-L274 HydrophobicContact CG2-CG 3.95Å; T244-L277 HydrophobicContact CG2-CD2 3.67Å
245I95.9Very high91.1Very high2 Ų248.4 Ų48.41%0.0124%0.237CC..SBendtrans-106.8125.2-171.2-56.4-52.3000110.1W213 F229 I241 L274 L293 F295W213-I245 HydrophobicContact CH2-CG1 3.99Å; F229-I245 HydrophobicContact CZ-CD1 4.2Å; F229-I245 HydrophobicContact CZ-CG1 3.95Å; I241-I245 HydrophobicContact CG2-CB 4.03Å; I241-I245 HydrophobicContact CG2-CG1 3.99Å; I241-I245 WeakPolarHBondContact O-CB 3.33Å; I241-I245 PolarHBondContact O-N 3.28Å; I245-L274 HydrophobicContact CD1-CD1 3.87Å; I245-L274 HydrophobicContact CD1-CD2 4.28Å; I245-L274 HydrophobicContact CD1-CG 3.99Å; I245-L293 HydrophobicContact CD1-CB 3.97Å; I245-L293 WeakPolarHBondContact CD1-O 3.44Å; I245-L293 WeakPolarHBondContact CG2-O 3.4Å; I245-F295 HydrophobicContact CG2-CB 4.24Å
246P92.6Very high91.1Very high69 Ų6945.5 Ų45.545%0.44822%0.222SC..  trans-70.9141.2178.628.6-33.7000112.1I248 V270P246-I248 HydrophobicContact CB-CG1 4.32Å; P246-I248 HydrophobicContact CG-CG1 4.48Å; P246-V270 VanDerWaalsContact CA-CG2 3.47Å; P246-V270 HydrophobicContact CB-CG2 3.87Å
247V91.6Very high91Very high5 Ų545.3 Ų45.33%0.0322%0.223CC..  trans-97.8102.6167.4-176.30000107L242 D252 K253 L256 W268 F295L242-V247 HydrophobicContact CD2-CG2 3.76Å; V247-D252 HydrophobicContact CG1-CB 3.52Å; V247-K253 HydrophobicContact CB-CG 4.2Å; V247-K253 HydrophobicContact CG1-CG 3.66Å; V247-K253 WeakPolarHBondContact O-CE 3.29Å; V247-L256 HydrophobicContact CB-CD1 4.46Å; V247-L256 HydrophobicContact CG1-CD1 4.23Å; V247-L256 HydrophobicContact CG2-CD1 3.63Å; V247-W268 HydrophobicContact CB-CH2 3.79Å; V247-W268 HydrophobicContact CB-CZ3 3.62Å; V247-W268 HydrophobicContact CG2-CH2 3.36Å; V247-W268 HydrophobicContact CG2-CZ2 4.32Å; V247-W268 HydrophobicContact CG2-CZ3 3.69Å; V247-F295 HydrophobicContact CB-CD1 4.48Å; V247-F295 HydrophobicContact CB-CG 4.37Å; V247-F295 HydrophobicContact CG1-CD1 3.95Å; V247-F295 HydrophobicContact CG1-CE1 4.26Å; V247-F295 HydrophobicContact CG1-CG 4.32Å; V247-F295 HydrophobicContact CG2-CB 4.15Å; V247-F295 HydrophobicContact CG2-CD1 4Å; V247-F295 HydrophobicContact CG2-CD2 3.58Å; V247-F295 HydrophobicContact CG2-CE1 4.32Å; V247-F295 HydrophobicContact CG2-CE2 3.91Å; V247-F295 HydrophobicContact CG2-CG 3.62Å; V247-F295 HydrophobicContact CG2-CZ 4.28Å
248I89.9Confident90.6Very high123 Ų12352.6 Ų52.663%0.63125%0.25SS*.  trans-85.2-41.1-171.4-58.4173.2000111.3P246P246-I248 HydrophobicContact CB-CG1 4.32Å; P246-I248 HydrophobicContact CG-CG1 4.48Å
249R90.3Very high90.1Very high88 Ų8853.7 Ų53.733%0.33226%0.257SS..  trans-81.8132.5-173.8-54.2173.270.287.79.2110.6E251 D252 K253 N296 D299R249-E251 VanDerWaalsContact C-N 3.29Å; R249-E251 HydrophobicContact CB-CG 3.97Å; R249-E251 IonicContact CZ-OE1 3.77Å; R249-E251 VanDerWaalsContact CZ-OE1 3.27Å; R249-E251 IonicContact CZ-OE2 3.89Å; R249-E251 VanDerWaalsContact NE-CD 3.35Å; R249-E251 IonicContact NE-OE1 3.04Å; R249-E251 PolarHBondContact NE-OE1 3.34Å; R249-E251 IonicContact NE-OE2 2.78Å; R249-E251 IonicContact NH2-OE1 3.03Å; R249-E251 PolarHBondContact NH2-OE1 3.43Å; R249-E251 IonicContact NH2-OE2 2.97Å; R249-E251 PolarHBondContact NH2-OE2 2.99Å; R249-E251 PolarHBondContact O-N 3.39Å; R249-D252 PolarHBondContact O-N 3.17Å; R249-K253 PolarHBondContact O-N 3.07Å; R249-N296 VanDerWaalsContact CD-CG 3.49Å; R249-N296 VanDerWaalsContact CD-ND2 3.27Å; R249-N296 WeakPolarHBondContact CD-ND2 3.49Å; R249-D299 WeakPolarHBondContact CD-OD2 3.4Å; R249-D299 IonicContact NH1-OD1 2.72Å
250E89Confident89.7Confident114 Ų11451.7 Ų51.753%0.53325%0.248SC..Hα-helixtrans-62.6-36.2-179.8-65.8-56.8131.800112.3D252 K253 D254E250-D252 VanDerWaalsContact C-N 3.27Å; E250-D252 PolarHBondContact O-N 3.02Å; E250-K253 WeakPolarHBondContact O-CB 3.48Å; E250-K253 PolarHBondContact O-N 3.13Å; E250-K253 VanDerWaalsContact O-N 3.08Å; E250-K253 IonicContact OE1-NZ 3.53Å; E250-K253 PolarHBondContact OE1-NZ 3.25Å; E250-K253 IonicContact OE2-NZ 3.35Å; E250-D254 PolarHBondContact O-N 3.04Å
251E89.8Confident89Confident109 Ų10953.7 Ų53.751%0.50926%0.264SS..Hα-helixtrans-57.9-36.9176.365.8-153.7-143.400113.5R249 E255R249-E251 VanDerWaalsContact C-N 3.29Å; R249-E251 HydrophobicContact CB-CG 3.97Å; R249-E251 IonicContact CZ-OE1 3.77Å; R249-E251 VanDerWaalsContact CZ-OE1 3.27Å; R249-E251 IonicContact CZ-OE2 3.89Å; R249-E251 VanDerWaalsContact NE-CD 3.35Å; R249-E251 IonicContact NE-OE1 3.04Å; R249-E251 PolarHBondContact NE-OE1 3.34Å; R249-E251 IonicContact NE-OE2 2.78Å; R249-E251 IonicContact NH2-OE1 3.03Å; R249-E251 PolarHBondContact NH2-OE1 3.43Å; R249-E251 IonicContact NH2-OE2 2.97Å; R249-E251 PolarHBondContact NH2-OE2 2.99Å; R249-E251 PolarHBondContact O-N 3.39Å; E251-E255 PolarHBondContact O-N 2.87Å; E251-E255 VanDerWaalsContact O-N 3.09Å
252D89.3Confident88Confident4 Ų458.3 Ų58.32%0.02130%0.296CS..Hα-helixtrans-74.5-37.2176.5-72.3-50.9000111.1R198 V247 R249 E250 E255 L256 F295 N296R198-D252 IonicContact NH2-OD1 2.75Å; R198-D252 PolarHBondContact NH2-OD1 3.05Å; V247-D252 HydrophobicContact CG1-CB 3.52Å; R249-D252 PolarHBondContact O-N 3.17Å; E250-D252 VanDerWaalsContact C-N 3.27Å; E250-D252 PolarHBondContact O-N 3.02Å; D252-E255 PolarHBondContact O-N 3.46Å; D252-L256 WeakPolarHBondContact O-CB 3.21Å; D252-L256 WeakPolarHBondContact O-CG 3.43Å; D252-L256 PolarHBondContact O-N 3.15Å; D252-F295 HydrophobicContact CB-CD1 3.89Å; D252-F295 HydrophobicContact CB-CE1 3.72Å; D252-N296 PolarHBondContact OD1-ND2 3.43Å; D252-N296 VanDerWaalsContact OD2-CB 3.29Å; D252-N296 WeakPolarHBondContact OD2-CB 3.38Å; D252-N296 PolarHBondContact OD2-ND2 3.08Å
253K88.4Confident86.9Confident59 Ų5962.5 Ų62.526%0.25731%0.314SS..Hα-helixtrans-63.1-44.3173.9-64.5-179.4-171.7167.10111V247 R249 E250 E255 L256 L257V247-K253 HydrophobicContact CB-CG 4.2Å; V247-K253 HydrophobicContact CG1-CG 3.66Å; V247-K253 WeakPolarHBondContact O-CE 3.29Å; R249-K253 PolarHBondContact O-N 3.07Å; E250-K253 WeakPolarHBondContact O-CB 3.48Å; E250-K253 PolarHBondContact O-N 3.13Å; E250-K253 VanDerWaalsContact O-N 3.08Å; E250-K253 IonicContact OE1-NZ 3.53Å; E250-K253 PolarHBondContact OE1-NZ 3.25Å; E250-K253 IonicContact OE2-NZ 3.35Å; K253-E255 VanDerWaalsContact C-N 3.32Å; K253-E255 PolarHBondContact O-N 3.31Å; K253-L256 PolarHBondContact O-N 3.03Å; K253-L257 WeakPolarHBondContact O-CB 3.17Å; K253-L257 WeakPolarHBondContact O-CG 3.41Å; K253-L257 PolarHBondContact O-N 3.42Å
254D88.1Confident85.9Confident87 Ų8759.8 Ų59.847%0.46530%0.302SS..Hα-helixtrans-64.7-35.6177.5-73.7-19.9000112.3E250 R258E250-D254 PolarHBondContact O-N 3.04Å; D254-R258 WeakPolarHBondContact O-CG 3.38Å; D254-R258 PolarHBondContact O-N 2.83Å; D254-R258 PolarHBondContact O-NE 2.94Å
255E86.5Confident84.7Confident44 Ų4462.1 Ų62.121%0.20632%0.319CS..Hα-helixtrans-64.8-48.4171-173.1176.3-164.500111.2R198 E251 D252 K253 L257 R258 V259R198-E255 IonicContact CZ-OE2 2.72Å; R198-E255 VanDerWaalsContact NH1-CD 3.26Å; R198-E255 IonicContact NH1-OE1 2.8Å; R198-E255 PolarHBondContact NH1-OE1 3.22Å; R198-E255 IonicContact NH1-OE2 3.02Å; R198-E255 PolarHBondContact NH1-OE2 3.17Å; R198-E255 IonicContact NH2-OE2 3.95Å; R198-E255 PolarHBondContact NH2-OE2 3.22Å; E251-E255 PolarHBondContact O-N 2.87Å; E251-E255 VanDerWaalsContact O-N 3.09Å; D252-E255 PolarHBondContact O-N 3.46Å; K253-E255 VanDerWaalsContact C-N 3.32Å; K253-E255 PolarHBondContact O-N 3.31Å; E255-L257 PolarHBondContact O-N 2.73Å; E255-R258 PolarHBondContact O-N 3.09Å; E255-R258 VanDerWaalsContact O-N 3.15Å; E255-V259 HydrophobicContact CG-CG2 4.5Å; E255-V259 WeakPolarHBondContact O-CG2 3.49Å; E255-V259 PolarHBondContact O-N 2.75Å
256L87.1Confident83.2Confident0 Ų067.8 Ų67.80%036%0.359CS..Hα-helixtrans-61.8-41.1177.7-76.9173.2000112.9L201 L242 V247 D252 K253 R258 V259 M260 V264 F295L201-L256 HydrophobicContact CD1-CD2 4.09Å; L201-L256 HydrophobicContact CD2-CD2 4.18Å; L242-L256 HydrophobicContact CD1-CD2 4.45Å; L242-L256 HydrophobicContact CD2-CD1 3.84Å; V247-L256 HydrophobicContact CB-CD1 4.46Å; V247-L256 HydrophobicContact CG1-CD1 4.23Å; V247-L256 HydrophobicContact CG2-CD1 3.63Å; D252-L256 WeakPolarHBondContact O-CB 3.21Å; D252-L256 WeakPolarHBondContact O-CG 3.43Å; D252-L256 PolarHBondContact O-N 3.15Å; K253-L256 PolarHBondContact O-N 3.03Å; L256-R258 PolarHBondContact O-N 3.35Å; L256-V259 PolarHBondContact O-N 2.74Å; L256-M260 CarbonylContact O-C 3.56Å; L256-M260 WeakPolarHBondContact O-CA 3.25Å; L256-M260 PolarHBondContact O-N 3.25Å; L256-V264 HydrophobicContact CB-CB 4.42Å; L256-V264 HydrophobicContact CB-CG1 4.39Å; L256-V264 HydrophobicContact CB-CG2 4.06Å; L256-V264 HydrophobicContact CD1-CG2 4.41Å; L256-F295 HydrophobicContact CD1-CE1 4.2Å; L256-F295 HydrophobicContact CD1-CE2 3.94Å; L256-F295 HydrophobicContact CD1-CZ 3.58Å; L256-F295 HydrophobicContact CD2-CE2 4.39Å; L256-F295 HydrophobicContact CD2-CZ 3.91Å; L256-F295 HydrophobicContact CG-CZ 3.86Å
257L86.6Confident82Confident59 Ų5970 Ų7031%0.30937%0.371SS..Hα-helixtrans-60.6-33.9175.9-77.1169.6000111.9K253 E255 P261 V264K253-L257 WeakPolarHBondContact O-CB 3.17Å; K253-L257 WeakPolarHBondContact O-CG 3.41Å; K253-L257 PolarHBondContact O-N 3.42Å; E255-L257 PolarHBondContact O-N 2.73Å; L257-P261 WeakPolarHBondContact O-CA 3.35Å; L257-P261 VanDerWaalsContact O-CB 3.29Å; L257-P261 WeakPolarHBondContact O-CB 3.33Å; L257-P261 WeakPolarHBondContact O-CD 3.46Å; L257-V264 HydrophobicContact CD2-CB 4.32Å; L257-V264 HydrophobicContact CD2-CG1 4.05Å; L257-V264 WeakPolarHBondContact CD2-O 3.48Å; L257-V264 HydrophobicContact CG-CG1 4.22Å
258R84.1Confident81.2Confident153 Ų15372.4 Ų72.458%0.57738%0.38SS*.Hα-helixtrans-76-37.3176.7-72.4179.4-67.4155.3-3.3112.8D254 E255 L256 W463D254-R258 WeakPolarHBondContact O-CG 3.38Å; D254-R258 PolarHBondContact O-N 2.83Å; D254-R258 PolarHBondContact O-NE 2.94Å; E255-R258 PolarHBondContact O-N 3.09Å; E255-R258 VanDerWaalsContact O-N 3.15Å; L256-R258 PolarHBondContact O-N 3.35Å; R258-W463 HydrophobicContact CB-CH2 4.22Å; R258-W463 HydrophobicContact CB-CZ2 4.32Å
259V82.4Confident80.8Confident27 Ų2774.2 Ų74.216%0.16439%0.385CS..Hα-helixtrans-88-32.2-174.7-178.50000112.2L201 E255 L256 L460L201-V259 HydrophobicContact CD2-CB 4.48Å; L201-V259 HydrophobicContact CD2-CG1 4.06Å; E255-V259 HydrophobicContact CG-CG2 4.5Å; E255-V259 WeakPolarHBondContact O-CG2 3.49Å; E255-V259 PolarHBondContact O-N 2.75Å; L256-V259 PolarHBondContact O-N 2.74Å; V259-L460 HydrophobicContact CG1-CD1 3.72Å; V259-L460 HydrophobicContact CG1-CD2 4.32Å; V259-L460 HydrophobicContact CG1-CG 4.49Å
260M82.4Confident80.6Confident14 Ų1471.9 Ų71.97%0.06938%0.381CS..  trans-138.855.7-173.7-62.9-177.955.800112.7L235 M238 L256 S262 F263 V264L235-M260 HydrophobicContact CD1-CE 3.34Å; L235-M260 HydrophobicContact CD1-SD 4.29Å; M238-M260 HydrophobicContact CG-CE 4.09Å; M238-M260 HydrophobicContact CG-SD 3.75Å; L256-M260 CarbonylContact O-C 3.56Å; L256-M260 WeakPolarHBondContact O-CA 3.25Å; L256-M260 PolarHBondContact O-N 3.25Å; M260-S262 PolarHBondContact O-N 3.33Å; M260-S262 VanDerWaalsContact O-N 3.08Å; M260-F263 HydrophobicContact CB-CB 4.45Å; M260-F263 HydrophobicContact CB-CD2 4.34Å; M260-F263 HydrophobicContact CE-CB 3.98Å; M260-F263 HydrophobicContact CE-CD2 3.68Å; M260-F263 HydrophobicContact CE-CE2 4.48Å; M260-F263 HydrophobicContact CE-CG 3.99Å; M260-F263 PolarHBondContact O-N 3Å; M260-V264 PolarHBondContact O-N 3.39Å; M260-V264 VanDerWaalsContact O-N 3.15Å
261P78.5Confident80.5Confident93 Ų9373.5 Ų73.560%0.60439%0.386SS*.THydrogen-bonded Turntrans-61.5-21.9-174.123.6-34000114.4L257L257-P261 WeakPolarHBondContact O-CA 3.35Å; L257-P261 VanDerWaalsContact O-CB 3.29Å; L257-P261 WeakPolarHBondContact O-CB 3.33Å; L257-P261 WeakPolarHBondContact O-CD 3.46Å
262S75.3Confident80.6Confident97 Ų9775.5 Ų75.568%0.67839%0.389SS*.THydrogen-bonded Turntrans-80.4-14.8177.953.40000113.9M260M260-S262 PolarHBondContact O-N 3.33Å; M260-S262 VanDerWaalsContact O-N 3.08Å
263F69.1Low80.8Confident95 Ų9577.2 Ų77.242%0.41740%0.4SS..THydrogen-bonded Turntrans-115-29.4-173.7-65.5-73.2000113.4L235 Q239 M260L235-F263 HydrophobicContact CD1-CD2 4.27Å; L235-F263 HydrophobicContact CD1-CE2 3.94Å; L235-F263 HydrophobicContact CD1-CZ 4.48Å; L235-F263 HydrophobicContact CD2-CE2 4.18Å; L235-F263 HydrophobicContact CD2-CZ 4.2Å; Q239-F263 HydrophobicContact CG-CD1 4.41Å; Q239-F263 VanDerWaalsContact NE2-CZ 3.3Å; M260-F263 HydrophobicContact CB-CB 4.45Å; M260-F263 HydrophobicContact CB-CD2 4.34Å; M260-F263 HydrophobicContact CE-CB 3.98Å; M260-F263 HydrophobicContact CE-CD2 3.68Å; M260-F263 HydrophobicContact CE-CE2 4.48Å; M260-F263 HydrophobicContact CE-CG 3.99Å; M260-F263 PolarHBondContact O-N 3Å
264V71.6Confident81.2Confident4 Ų474.6 Ų74.62%0.02439%0.389CS..  trans-109.1122174.4-176.30000107L242 L256 L257 M260 W268L242-V264 HydrophobicContact CD1-CG2 4Å; L256-V264 HydrophobicContact CB-CB 4.42Å; L256-V264 HydrophobicContact CB-CG1 4.39Å; L256-V264 HydrophobicContact CB-CG2 4.06Å; L256-V264 HydrophobicContact CD1-CG2 4.41Å; L257-V264 HydrophobicContact CD2-CB 4.32Å; L257-V264 HydrophobicContact CD2-CG1 4.05Å; L257-V264 WeakPolarHBondContact CD2-O 3.48Å; L257-V264 HydrophobicContact CG-CG1 4.22Å; M260-V264 PolarHBondContact O-N 3.39Å; M260-V264 VanDerWaalsContact O-N 3.15Å; V264-W268 HydrophobicContact CG1-CB 4.24Å; V264-W268 HydrophobicContact CG1-CG 4.38Å
265S69.8Low81.6Confident58 Ų5878.2 Ų78.241%0.40640%0.396SS..  trans-111.2167.5169.368.90000109.3T267 W268S265-T267 PolarHBondContact O-N 2.76Å; S265-T267 PolarHBondContact OG-N 3.43Å; S265-T267 PolarHBondContact OG-OG1 3.29Å; S265-W268 VanDerWaalsContact O-CB 3.26Å; S265-W268 WeakPolarHBondContact O-CB 3.38Å; S265-W268 PolarHBondContact O-N 2.9Å; S265-W268 PolarHBondContact OG-N 2.79Å
266S64.6Low82Confident122 Ų12283.6 Ų83.685%0.85342%0.419SS*.THydrogen-bonded Turntrans-59-15.2170.8510000113.6
267T68.8Low82.4Confident114 Ų11486.4 Ų86.470%0.69943%0.434SS*.THydrogen-bonded Turntrans-107.415.9177.964.20000112.9S265 E269S265-T267 PolarHBondContact O-N 2.76Å; S265-T267 PolarHBondContact OG-N 3.43Å; S265-T267 PolarHBondContact OG-OG1 3.29Å; T267-E269 PolarHBondContact O-N 3.14Å
268W73.9Confident82.8Confident57 Ų5784.1 Ų84.122%0.21642%0.422CS..  trans-67.9129.4-179.4168.981.6000111.1L242 V247 V264 S265 V270L242-W268 HydrophobicContact CB-CZ2 3.75Å; L242-W268 HydrophobicContact CD2-CH2 4.07Å; L242-W268 HydrophobicContact CD2-CZ2 3.73Å; L242-W268 HydrophobicContact CG-CZ2 4.29Å; L242-W268 WeakPolarHBondContact O-CZ2 3.46Å; V247-W268 HydrophobicContact CB-CH2 3.79Å; V247-W268 HydrophobicContact CB-CZ3 3.62Å; V247-W268 HydrophobicContact CG2-CH2 3.36Å; V247-W268 HydrophobicContact CG2-CZ2 4.32Å; V247-W268 HydrophobicContact CG2-CZ3 3.69Å; V264-W268 HydrophobicContact CG1-CB 4.24Å; V264-W268 HydrophobicContact CG1-CG 4.38Å; S265-W268 VanDerWaalsContact O-CB 3.26Å; S265-W268 WeakPolarHBondContact O-CB 3.38Å; S265-W268 PolarHBondContact O-N 2.9Å; S265-W268 PolarHBondContact OG-N 2.79Å; W268-V270 HydrophobicContact CH2-CG2 4.33Å
269E81.2Confident83.3Confident160 Ų16081.6 Ų81.675%0.74843%0.425SS*.  trans-128.6148.4176.8-68.5-173.6167.500110.6T267 K271T267-E269 PolarHBondContact O-N 3.14Å; E269-K271 PolarHBondContact O-N 3.08Å
270V86.8Confident83.8Confident40 Ų4085.1 Ų85.124%0.24244%0.44CS..  trans-67.7112.6174.71790000109.5E243 T244 P246 W268 P273E243-V270 VanDerWaalsContact O-CG1 3.3Å; E243-V270 WeakPolarHBondContact O-CG1 3.19Å; T244-V270 VanDerWaalsContact O-CG1 3.28Å; T244-V270 WeakPolarHBondContact O-CG1 3.35Å; P246-V270 VanDerWaalsContact CA-CG2 3.47Å; P246-V270 HydrophobicContact CB-CG2 3.87Å; W268-V270 HydrophobicContact CH2-CG2 4.33Å; V270-P273 HydrophobicContact CG1-CB 4.24Å
271K85.9Confident84.5Confident148 Ų14885.1 Ų85.164%0.64344%0.441SS*.SBendtrans-74.1-37.2-175.8-62.9178.8-173.7167.40112.5E243 E269E243-K271 PolarHBondContact O-N 3.35Å; E243-K271 IonicContact OE1-NZ 3.33Å; E269-K271 PolarHBondContact O-N 3.08Å
272R91.6Very high85.3Confident150 Ų15082.8 Ų82.857%0.56642%0.423SS*.SBendtrans-135.470.7-170.8-65.4-177.5-179.81781.9110.7E243 T244E243-R272 PolarHBondContact O-N 3.23Å; T244-R272 WeakPolarHBondContact CA-O 3.27Å; T244-R272 WeakPolarHBondContact CG2-O 3.32Å
273P94.6Very high86.3Confident40 Ų4082.3 Ų82.326%0.2642%0.42SS..  trans-55.8154.6177.125.5-36.3000111.7V270 R275 K276 L277V270-P273 HydrophobicContact CG1-CB 4.24Å; P273-R275 VanDerWaalsContact C-N 3.3Å; P273-R275 PolarHBondContact O-N 3.13Å; P273-R275 VanDerWaalsContact O-N 3.16Å; P273-K276 HydrophobicContact CG-CB 4.18Å; P273-K276 HydrophobicContact CG-CD 3.94Å; P273-K276 HydrophobicContact CG-CG 3.96Å; P273-K276 WeakPolarHBondContact O-CA 3.34Å; P273-K276 WeakPolarHBondContact O-CB 3.42Å; P273-K276 PolarHBondContact O-N 3.22Å; P273-L277 PolarHBondContact O-N 3.33Å
274L96.1Very high87.6Confident5 Ų581.2 Ų81.23%0.02642%0.416CS..Hα-helixtrans-48.1-47.3-175.4-75170.6000113.3L228 T244 I245 K276 L277 L278 L289 E290 L293L228-L274 HydrophobicContact CD1-CD2 4.28Å; L228-L274 HydrophobicContact CD2-CD2 4.38Å; T244-L274 HydrophobicContact CG2-CD2 3.66Å; T244-L274 HydrophobicContact CG2-CG 3.95Å; I245-L274 HydrophobicContact CD1-CD1 3.87Å; I245-L274 HydrophobicContact CD1-CD2 4.28Å; I245-L274 HydrophobicContact CD1-CG 3.99Å; L274-K276 PolarHBondContact O-N 3.18Å; L274-L277 PolarHBondContact O-N 3.28Å; L274-L277 VanDerWaalsContact O-N 3.07Å; L274-L278 HydrophobicContact CD2-CD1 4.32Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 PolarHBondContact O-N 3.38Å; L274-L289 HydrophobicContact CD1-CB 4.13Å; L274-E290 HydrophobicContact CB-CG 4.29Å; L274-E290 HydrophobicContact CD1-CG 3.83Å; L274-L293 HydrophobicContact CD1-CB 4.46Å; L274-L293 HydrophobicContact CD1-CD1 4.23Å; L274-L293 HydrophobicContact CD2-CD1 4.34Å
275R95.9Very high88.8Confident162 Ų16281 Ų8161%0.61142%0.415SS*.Hα-helixtrans-53-36.1175.3-173.280.6-161.6-80.73.5114P273 I286P273-R275 VanDerWaalsContact C-N 3.3Å; P273-R275 PolarHBondContact O-N 3.13Å; P273-R275 VanDerWaalsContact O-N 3.16Å; R275-I286 HydrophobicContact CB-CG2 4.22Å
276K95.3Very high90.2Very high157 Ų15778.4 Ų78.468%0.68340%0.396SS*.Hα-helixtrans-85.3-31.8177.8-70.3-172.5-173.1172.20112.4P273 L274P273-K276 HydrophobicContact CG-CB 4.18Å; P273-K276 HydrophobicContact CG-CD 3.94Å; P273-K276 HydrophobicContact CG-CG 3.96Å; P273-K276 WeakPolarHBondContact O-CA 3.34Å; P273-K276 WeakPolarHBondContact O-CB 3.42Å; P273-K276 PolarHBondContact O-N 3.22Å; L274-K276 PolarHBondContact O-N 3.18Å
277L95.4Very high91.8Very high60 Ų6075.6 Ų75.631%0.31437%0.372SS..Hα-helixtrans-72.3-34.9178.9-177.263.7000111.9L228 T244 P273 L274 P279L228-L277 HydrophobicContact CD1-CD2 3.79Å; T244-L277 HydrophobicContact CG2-CD2 3.67Å; P273-L277 PolarHBondContact O-N 3.33Å; L274-L277 PolarHBondContact O-N 3.28Å; L274-L277 VanDerWaalsContact O-N 3.07Å; L277-P279 VanDerWaalsContact O-CD 3.27Å; L277-P279 WeakPolarHBondContact O-CD 3.41Å
278L96Very high93.2Very high11 Ų1170.1 Ų70.16%0.05834%0.338CS..  trans-120.960.9-174.2-58.1-177.9000111.2A220 T224 L228 L274 E280 V281 I286 L289A220-L278 HydrophobicContact CB-CD1 4.35Å; T224-L278 HydrophobicContact CG2-CD2 3.63Å; L228-L278 HydrophobicContact CD1-CD1 4.27Å; L228-L278 HydrophobicContact CD1-CD2 4.47Å; L274-L278 HydrophobicContact CD2-CD1 4.32Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 PolarHBondContact O-N 3.38Å; L278-E280 PolarHBondContact O-N 3.25Å; L278-V281 HydrophobicContact CB-CB 4.16Å; L278-V281 HydrophobicContact CB-CG2 3.87Å; L278-V281 HydrophobicContact CD1-CG2 4.4Å; L278-V281 PolarHBondContact O-N 3.04Å; L278-I286 HydrophobicContact CB-CD1 3.81Å; L278-I286 HydrophobicContact CD1-CD1 4.21Å; L278-L289 HydrophobicContact CD1-CD1 3.98Å
279P94.9Very high94.4Very high100 Ų10067.4 Ų67.465%0.64933%0.328SS*.THydrogen-bonded Turntrans-64.6-21.9-176.428.6-37.4000114.1L277L277-P279 VanDerWaalsContact O-CD 3.27Å; L277-P279 WeakPolarHBondContact O-CD 3.41Å
280E92.9Very high95.2Very high100 Ų10064.1 Ų64.147%0.46731%0.313SS..THydrogen-bonded Turntrans-78.6-18.3177.866.9-90.9-133.500113.8R226 L278R226-E280 IonicContact NH2-OE1 3.73Å; R226-E280 PolarHBondContact NH2-OE1 2.82Å; L278-E280 PolarHBondContact O-N 3.25Å
281V96.1Very high95.8Very high15 Ų1565.8 Ų65.89%0.09132%0.316CS..SBendtrans-83.8138.6-176177.60000110L223 T224 L278 A285 I286L223-V281 HydrophobicContact CB-CG2 4.09Å; L223-V281 HydrophobicContact CD1-CG1 3.83Å; L223-V281 HydrophobicContact CD1-CG2 4.47Å; T224-V281 HydrophobicContact CG2-CG2 4.04Å; L278-V281 HydrophobicContact CB-CB 4.16Å; L278-V281 HydrophobicContact CB-CG2 3.87Å; L278-V281 HydrophobicContact CD1-CG2 4.4Å; L278-V281 PolarHBondContact O-N 3.04Å; V281-A285 HydrophobicContact CG1-CB 3.61Å; V281-I286 HydrophobicContact CB-CD1 3.9Å; V281-I286 HydrophobicContact CB-CG1 4.15Å; V281-I286 HydrophobicContact CG1-CD1 3.91Å; V281-I286 HydrophobicContact CG1-CG1 3.97Å
282N94.8Very high96.4Very high44 Ų4458.7 Ų58.724%0.23529%0.286CS..  trans-62.4159-178.784.717.1000112.1E123 E284 A285 I286E123-N282 PolarHBondContact OE1-ND2 3.29Å; E123-N282 PolarHBondContact OE2-ND2 3Å; N282-E284 VanDerWaalsContact C-N 3.3Å; N282-E284 PolarHBondContact O-N 3.48Å; N282-E284 PolarHBondContact OD1-N 3.47Å; N282-E284 VanDerWaalsContact OD1-N 3.16Å; N282-A285 WeakPolarHBondContact OD1-CA 3.33Å; N282-A285 WeakPolarHBondContact OD1-CB 3.2Å; N282-A285 PolarHBondContact OD1-N 2.86Å; N282-I286 WeakPolarHBondContact O-CG1 3.34Å; N282-I286 PolarHBondContact O-N 3.38Å
283S96.8Very high96.7Very high87 Ų8751.7 Ų51.761%0.60826%0.259SS*.Hα-helixtrans-65.8-30.4-174.750.40000114.1D287S283-D287 VanDerWaalsContact O-CB 3.28Å; S283-D287 WeakPolarHBondContact O-CB 3.19Å; S283-D287 PolarHBondContact O-N 3.29Å
284E97.1Very high96.8Very high71 Ų7150.7 Ų50.733%0.33225%0.253SS..Hα-helixtrans-77.4-36.8-176.4-168.5174.8-16300112.2N282 D287 F288 P310 Y311N282-E284 VanDerWaalsContact C-N 3.3Å; N282-E284 PolarHBondContact O-N 3.48Å; N282-E284 PolarHBondContact OD1-N 3.47Å; N282-E284 VanDerWaalsContact OD1-N 3.16Å; E284-D287 PolarHBondContact O-N 2.84Å; E284-F288 PolarHBondContact O-N 2.71Å; E284-P310 WeakPolarHBondContact OE1-CB 3.41Å; E284-P310 VanDerWaalsContact OE1-O 3.11Å; E284-Y311 HydrophobicContact CB-CD2 4.26Å; E284-Y311 HydrophobicContact CG-CD2 4.07Å; E284-Y311 HydrophobicContact CG-CG 4.49Å; E284-Y311 WeakPolarHBondContact OE1-CA 3.32Å; E284-Y311 PolarHBondContact OE1-N 3.32Å
285A97.6Very high96.7Very high0 Ų050.7 Ų50.70%025%0.253CS..Hα-helixtrans-68.1-40.6170.700000110.8L223 V281 N282 D287 F288 L289 Y311L223-A285 HydrophobicContact CD1-CB 4.04Å; V281-A285 HydrophobicContact CG1-CB 3.61Å; N282-A285 WeakPolarHBondContact OD1-CA 3.33Å; N282-A285 WeakPolarHBondContact OD1-CB 3.2Å; N282-A285 PolarHBondContact OD1-N 2.86Å; A285-D287 VanDerWaalsContact C-N 3.34Å; A285-F288 PolarHBondContact O-N 3.39Å; A285-L289 WeakPolarHBondContact O-CB 3.13Å; A285-L289 VanDerWaalsContact O-CG 3.25Å; A285-L289 WeakPolarHBondContact O-CG 3.36Å; A285-L289 PolarHBondContact O-N 3.09Å; A285-Y311 HydrophobicContact CB-CD2 4.02Å; A285-Y311 HydrophobicContact CB-CE1 4.41Å; A285-Y311 HydrophobicContact CB-CE2 3.5Å
286I98.3Very high96.6Very high4 Ų443.5 Ų43.52%0.02123%0.226CC..Hα-helixtrans-60.1-46.5171.4-68.8-63000110.5R275 L278 V281 N282 F288 L289 E290R275-I286 HydrophobicContact CB-CG2 4.22Å; L278-I286 HydrophobicContact CB-CD1 3.81Å; L278-I286 HydrophobicContact CD1-CD1 4.21Å; V281-I286 HydrophobicContact CB-CD1 3.9Å; V281-I286 HydrophobicContact CB-CG1 4.15Å; V281-I286 HydrophobicContact CG1-CD1 3.91Å; V281-I286 HydrophobicContact CG1-CG1 3.97Å; N282-I286 WeakPolarHBondContact O-CG1 3.34Å; N282-I286 PolarHBondContact O-N 3.38Å; I286-F288 VanDerWaalsContact C-N 3.28Å; I286-F288 PolarHBondContact O-N 3.12Å; I286-L289 HydrophobicContact CD1-CD1 4.45Å; I286-L289 PolarHBondContact O-N 2.94Å; I286-L289 VanDerWaalsContact O-N 3.13Å; I286-E290 HydrophobicContact CG2-CG 4.24Å; I286-E290 WeakPolarHBondContact O-CB 3.42Å; I286-E290 WeakPolarHBondContact O-CG 3.38Å; I286-E290 PolarHBondContact O-N 3.46Å
287D98.4Very high96.4Very high62 Ų6236.9 Ų36.933%0.33220%0.199SC..Hα-helixtrans-61.5-35.2178.5176.767.7000112.4S283 E284 A285 K291 H309S283-D287 VanDerWaalsContact O-CB 3.28Å; S283-D287 WeakPolarHBondContact O-CB 3.19Å; S283-D287 PolarHBondContact O-N 3.29Å; E284-D287 PolarHBondContact O-N 2.84Å; A285-D287 VanDerWaalsContact C-N 3.34Å; D287-K291 WeakPolarHBondContact O-CG 3.36Å; D287-K291 PolarHBondContact O-NZ 2.77Å; D287-K291 IonicContact OD1-NZ 3.16Å; D287-K291 PolarHBondContact OD1-NZ 2.83Å; D287-K291 IonicContact OD2-NZ 3.13Å; D287-K291 PolarHBondContact OD2-NZ 2.74Å; D287-H309 IonicContact OD2-CE1 3Å; D287-H309 PolarHBondContact OD2-CE1 3.47Å; D287-H309 IonicContact OD2-NE2 2.99Å; D287-H309 PolarHBondContact OD2-NE2 3.26Å; D287-H309 VanDerWaalsContact OD2-NE2 3.13Å
288F98.5Very high96.3Very high0 Ų041.5 Ų41.50%022%0.221CC..Hα-helixtrans-68-48.1170.1-179.7-93.5000112M130 L134 L219 E284 A285 I286 E290 K291 I292 L301 H309 Y311 M312M130-F288 HydrophobicContact CE-CE1 3.66Å; M130-F288 HydrophobicContact CE-CZ 3.78Å; M130-F288 HydrophobicContact CG-CE1 4.36Å; L134-F288 HydrophobicContact CD1-CE2 4.23Å; L134-F288 HydrophobicContact CD1-CZ 3.86Å; L219-F288 HydrophobicContact CD2-CD1 3.43Å; L219-F288 VanDerWaalsContact CD2-CD1 3.43Å; L219-F288 HydrophobicContact CD2-CE1 3.69Å; E284-F288 PolarHBondContact O-N 2.71Å; A285-F288 PolarHBondContact O-N 3.39Å; I286-F288 VanDerWaalsContact C-N 3.28Å; I286-F288 PolarHBondContact O-N 3.12Å; F288-E290 VanDerWaalsContact C-N 3.3Å; F288-E290 PolarHBondContact O-N 3.25Å; F288-K291 PolarHBondContact O-N 2.99Å; F288-K291 VanDerWaalsContact O-N 3.1Å; F288-I292 HydrophobicContact CD1-CG2 4.16Å; F288-I292 HydrophobicContact CE1-CB 4.26Å; F288-I292 HydrophobicContact CE1-CD1 3.86Å; F288-I292 HydrophobicContact CE1-CG2 3.91Å; F288-I292 HydrophobicContact CZ-CB 4.46Å; F288-I292 HydrophobicContact CZ-CD1 3.82Å; F288-I292 WeakPolarHBondContact O-CG2 3.29Å; F288-I292 PolarHBondContact O-N 2.64Å; F288-L301 HydrophobicContact CD2-CD1 4.2Å; F288-L301 HydrophobicContact CE2-CD1 3.99Å; F288-H309 HydrophobicContact CD2-CB 3.73Å; F288-H309 AromaticContact CD2-CG 3.52Å; F288-H309 AromaticContact CD2-ND1 3.59Å; F288-H309 HydrophobicContact CE2-CB 4.06Å; F288-Y311 HydrophobicContact CB-CD1 4.13Å; F288-Y311 HydrophobicContact CB-CG 4.23Å; F288-Y311 HydrophobicContact CD1-CD1 4.34Å; F288-Y311 HydrophobicContact CG-CD1 4.07Å; F288-M312 HydrophobicContact CD2-CE 4.33Å; F288-M312 HydrophobicContact CE1-CE 4.09Å; F288-M312 HydrophobicContact CE2-CE 3.88Å; F288-M312 HydrophobicContact CZ-CE 3.77Å
289L98.6Very high96.2Very high0 Ų044.4 Ų44.40%024%0.237CC..Hα-helixtrans-58.7-40.8179.3-76.1171000111.5G216 L219 A220 L274 L278 A285 I286 K291 I292 L293G216-L289 VanDerWaalsContact O-CD2 3.3Å; G216-L289 WeakPolarHBondContact O-CD2 3.42Å; L219-L289 HydrophobicContact CB-CD2 4.22Å; L219-L289 HydrophobicContact CD2-CD2 3.89Å; L219-L289 HydrophobicContact CD2-CG 4.16Å; L219-L289 HydrophobicContact CG-CD2 4.14Å; A220-L289 HydrophobicContact CB-CD1 4.3Å; A220-L289 HydrophobicContact CB-CD2 4.15Å; L274-L289 HydrophobicContact CD1-CB 4.13Å; L278-L289 HydrophobicContact CD1-CD1 3.98Å; A285-L289 WeakPolarHBondContact O-CB 3.13Å; A285-L289 VanDerWaalsContact O-CG 3.25Å; A285-L289 WeakPolarHBondContact O-CG 3.36Å; A285-L289 PolarHBondContact O-N 3.09Å; I286-L289 HydrophobicContact CD1-CD1 4.45Å; I286-L289 PolarHBondContact O-N 2.94Å; I286-L289 VanDerWaalsContact O-N 3.13Å; L289-K291 VanDerWaalsContact C-N 3.28Å; L289-K291 PolarHBondContact O-N 2.81Å; L289-I292 PolarHBondContact O-N 3.02Å; L289-L293 HydrophobicContact CB-CD1 4.49Å; L289-L293 HydrophobicContact CD2-CD1 4.04Å; L289-L293 WeakPolarHBondContact O-CB 3.45Å; L289-L293 PolarHBondContact O-N 2.92Å
290E97.9Very high96.3Very high91 Ų9140.1 Ų40.143%0.42521%0.208SC..Hα-helixtrans-64.4-29177.5-75.1178.1169.500113L274 I286 F288L274-E290 HydrophobicContact CB-CG 4.29Å; L274-E290 HydrophobicContact CD1-CG 3.83Å; I286-E290 HydrophobicContact CG2-CG 4.24Å; I286-E290 WeakPolarHBondContact O-CB 3.42Å; I286-E290 WeakPolarHBondContact O-CG 3.38Å; I286-E290 PolarHBondContact O-N 3.46Å; F288-E290 VanDerWaalsContact C-N 3.3Å; F288-E290 PolarHBondContact O-N 3.25Å
291K98.3Very high96.5Very high74 Ų7436.1 Ų36.132%0.32219%0.189SC..Hα-helixtrans-88.5-27.8177.8-66.1-173.4-163.573.90114D287 F288 L289 T294 L301 H309D287-K291 WeakPolarHBondContact O-CG 3.36Å; D287-K291 PolarHBondContact O-NZ 2.77Å; D287-K291 IonicContact OD1-NZ 3.16Å; D287-K291 PolarHBondContact OD1-NZ 2.83Å; D287-K291 IonicContact OD2-NZ 3.13Å; D287-K291 PolarHBondContact OD2-NZ 2.74Å; F288-K291 PolarHBondContact O-N 2.99Å; F288-K291 VanDerWaalsContact O-N 3.1Å; L289-K291 VanDerWaalsContact C-N 3.28Å; L289-K291 PolarHBondContact O-N 2.81Å; K291-T294 WeakPolarHBondContact O-CG2 3.08Å; K291-L301 HydrophobicContact CB-CD1 3.62Å; K291-L301 HydrophobicContact CB-CD2 4.16Å; K291-L301 HydrophobicContact CB-CG 3.72Å; K291-L301 HydrophobicContact CD-CD2 4.46Å; K291-L301 PolarHBondContact O-N 2.76Å; K291-H309 PolarHBondContact NZ-NE2 2.84Å
292I98.4Very high96.6Very high0 Ų038.6 Ų38.60%021%0.205CC..Hα-helixtrans-89.9-25.4176.9-162.2174.2000112.6M130 M212 A215 F288 L289 T294 R300 L301M130-I292 HydrophobicContact CE-CD1 3.72Å; M212-I292 HydrophobicContact CB-CG1 4.36Å; M212-I292 HydrophobicContact CE-CD1 3.81Å; M212-I292 HydrophobicContact CE-CG1 4.27Å; M212-I292 VanDerWaalsContact O-CD1 3.32Å; M212-I292 WeakPolarHBondContact O-CD1 3.31Å; M212-I292 WeakPolarHBondContact O-CG1 3.17Å; A215-I292 HydrophobicContact CB-CD1 4.4Å; F288-I292 HydrophobicContact CD1-CG2 4.16Å; F288-I292 HydrophobicContact CE1-CB 4.26Å; F288-I292 HydrophobicContact CE1-CD1 3.86Å; F288-I292 HydrophobicContact CE1-CG2 3.91Å; F288-I292 HydrophobicContact CZ-CB 4.46Å; F288-I292 HydrophobicContact CZ-CD1 3.82Å; F288-I292 WeakPolarHBondContact O-CG2 3.29Å; F288-I292 PolarHBondContact O-N 2.64Å; L289-I292 PolarHBondContact O-N 3.02Å; I292-T294 PolarHBondContact O-N 3.49Å; I292-R300 WeakPolarHBondContact O-CD 3.25Å; I292-R300 WeakPolarHBondContact O-CG 3.27Å; I292-R300 PolarHBondContact O-NE 3.33Å; I292-L301 HydrophobicContact CB-CD1 4.48Å
293L98.3Very high96.8Very high2 Ų236.7 Ų36.71%0.0120%0.195CC..SBendtrans-101.456.8176.8-61.7174.2000111.5W213 L228 I245 L274 L289W213-L293 HydrophobicContact CD2-CD2 3.91Å; W213-L293 HydrophobicContact CE3-CB 4.47Å; W213-L293 HydrophobicContact CE3-CD2 3.89Å; W213-L293 HydrophobicContact CG-CD2 4.44Å; W213-L293 HydrophobicContact CH2-CD2 4.41Å; W213-L293 HydrophobicContact CZ2-CD2 4.41Å; W213-L293 HydrophobicContact CZ3-CB 4.14Å; W213-L293 HydrophobicContact CZ3-CD2 4.16Å; L228-L293 HydrophobicContact CD2-CD1 3.43Å; L228-L293 VanDerWaalsContact CD2-CD1 3.43Å; I245-L293 HydrophobicContact CD1-CB 3.97Å; I245-L293 WeakPolarHBondContact CD1-O 3.44Å; I245-L293 WeakPolarHBondContact CG2-O 3.4Å; L274-L293 HydrophobicContact CD1-CB 4.46Å; L274-L293 HydrophobicContact CD1-CD1 4.23Å; L274-L293 HydrophobicContact CD2-CD1 4.34Å; L289-L293 HydrophobicContact CB-CD1 4.49Å; L289-L293 HydrophobicContact CD2-CD1 4.04Å; L289-L293 WeakPolarHBondContact O-CB 3.45Å; L289-L293 PolarHBondContact O-N 2.92Å
294T97.3Very high96.8Very high20 Ų2037.5 Ų37.512%0.12319%0.189CC..  trans-88149.6173.856.80000111.4W213 K291 I292 N296 D299 R300W213-T294 WeakPolarHBondContact CZ3-O 3.26Å; K291-T294 WeakPolarHBondContact O-CG2 3.08Å; I292-T294 PolarHBondContact O-N 3.49Å; T294-N296 PolarHBondContact OG1-O 3.06Å; T294-N296 VanDerWaalsContact OG1-O 3.09Å; T294-D299 HydrophobicContact CG2-CB 4.3Å; T294-R300 PolarHBondContact O-NH2 2.94Å; T294-R300 WeakPolarHBondContact OG1-CA 3.14Å; T294-R300 VanDerWaalsContact OG1-CB 3.22Å; T294-R300 WeakPolarHBondContact OG1-CB 3.16Å; T294-R300 PolarHBondContact OG1-N 3.13Å
295F94.6Very high96.9Very high5 Ų539 Ų392%0.02220%0.197CC..SBendtrans-65.7-53.9176.8-174.8-89000111.6P197 L201 M238 L242 I245 V247 D252 L256 R300P197-F295 HydrophobicContact CB-CD2 3.76Å; P197-F295 HydrophobicContact CB-CE2 3.57Å; P197-F295 HydrophobicContact CB-CG 4.47Å; P197-F295 HydrophobicContact CB-CZ 4.13Å; P197-F295 HydrophobicContact CG-CD2 3.97Å; P197-F295 HydrophobicContact CG-CE2 4.24Å; L201-F295 HydrophobicContact CD1-CZ 3.92Å; M238-F295 HydrophobicContact SD-CE2 4.26Å; L242-F295 HydrophobicContact CD2-CD2 4.14Å; L242-F295 HydrophobicContact CD2-CE2 3.78Å; I245-F295 HydrophobicContact CG2-CB 4.24Å; V247-F295 HydrophobicContact CB-CD1 4.48Å; V247-F295 HydrophobicContact CB-CG 4.37Å; V247-F295 HydrophobicContact CG1-CD1 3.95Å; V247-F295 HydrophobicContact CG1-CE1 4.26Å; V247-F295 HydrophobicContact CG1-CG 4.32Å; V247-F295 HydrophobicContact CG2-CB 4.15Å; V247-F295 HydrophobicContact CG2-CD1 4Å; V247-F295 HydrophobicContact CG2-CD2 3.58Å; V247-F295 HydrophobicContact CG2-CE1 4.32Å; V247-F295 HydrophobicContact CG2-CE2 3.91Å; V247-F295 HydrophobicContact CG2-CG 3.62Å; V247-F295 HydrophobicContact CG2-CZ 4.28Å; D252-F295 HydrophobicContact CB-CD1 3.89Å; D252-F295 HydrophobicContact CB-CE1 3.72Å; L256-F295 HydrophobicContact CD1-CE1 4.2Å; L256-F295 HydrophobicContact CD1-CE2 3.94Å; L256-F295 HydrophobicContact CD1-CZ 3.58Å; L256-F295 HydrophobicContact CD2-CE2 4.39Å; L256-F295 HydrophobicContact CD2-CZ 3.91Å; L256-F295 HydrophobicContact CG-CZ 3.86Å; F295-R300 PolarHBondContact O-NH2 2.76Å
296N92.7Very high96.9Very high10 Ų1039 Ų395%0.05320%0.197CC..SBendtrans-75.1129.4177.3-165.9-66.9000110.5R249 D252 T294 M298 D299R249-N296 VanDerWaalsContact CD-CG 3.49Å; R249-N296 VanDerWaalsContact CD-ND2 3.27Å; R249-N296 WeakPolarHBondContact CD-ND2 3.49Å; D252-N296 PolarHBondContact OD1-ND2 3.43Å; D252-N296 VanDerWaalsContact OD2-CB 3.29Å; D252-N296 WeakPolarHBondContact OD2-CB 3.38Å; D252-N296 PolarHBondContact OD2-ND2 3.08Å; T294-N296 PolarHBondContact OG1-O 3.06Å; T294-N296 VanDerWaalsContact OG1-O 3.09Å; N296-M298 PolarHBondContact O-N 2.65Å; N296-M298 VanDerWaalsContact OD1-CB 3.26Å; N296-M298 WeakPolarHBondContact OD1-CB 3.37Å; N296-M298 WeakPolarHBondContact OD1-CG 3.14Å; N296-M298 PolarHBondContact OD1-N 2.9Å; N296-D299 WeakPolarHBondContact CB-OD2 3.32Å; N296-D299 PolarHBondContact O-N 2.72Å
297P92.3Very high96.9Very high19 Ų1938.8 Ų38.812%0.12320%0.196CC..THydrogen-bonded Turntrans-63.7-22.6179.527.1-36.3000114.5R198 A209 R300R198-P297 HydrophobicContact CB-CG 4.48Å; R198-P297 HydrophobicContact CG-CG 4.3Å; A209-P297 HydrophobicContact CB-CB 3.65Å; P297-R300 WeakPolarHBondContact O-CB 3.48Å
298M91.6Very high96.8Very high156 Ų15642.1 Ų42.177%0.76821%0.21SC*.THydrogen-bonded Turntrans-78.5-24.9-179.8-61.1-56.7-60.500113.2N296 R300N296-M298 PolarHBondContact O-N 2.65Å; N296-M298 VanDerWaalsContact OD1-CB 3.26Å; N296-M298 WeakPolarHBondContact OD1-CB 3.37Å; N296-M298 WeakPolarHBondContact OD1-CG 3.14Å; N296-M298 PolarHBondContact OD1-N 2.9Å; M298-R300 VanDerWaalsContact C-N 3.26Å
299D94.4Very high96.8Very high72 Ų7242.7 Ų42.739%0.38521%0.212SC..SBendtrans-84.9-6.6176.9-56.3-31.1000111.4R249 T294 N296R249-D299 WeakPolarHBondContact CD-OD2 3.4Å; R249-D299 IonicContact NH1-OD1 2.72Å; T294-D299 HydrophobicContact CG2-CB 4.3Å; N296-D299 WeakPolarHBondContact CB-OD2 3.32Å; N296-D299 PolarHBondContact O-N 2.72Å
300R97.2Very high96.7Very high11 Ų1146 Ų464%0.04223%0.234CC..SBendtrans-79.4140.5-175.1-161.9169.4-62.31388111.6A209 M212 I292 T294 F295 P297 M298 T302A209-R300 VanDerWaalsContact C-NH1 3.3Å; A209-R300 WeakPolarHBondContact O-CD 3.46Å; A209-R300 PolarHBondContact O-NH1 3.48Å; M212-R300 HydrophobicContact CB-CG 4.35Å; I292-R300 WeakPolarHBondContact O-CD 3.25Å; I292-R300 WeakPolarHBondContact O-CG 3.27Å; I292-R300 PolarHBondContact O-NE 3.33Å; T294-R300 PolarHBondContact O-NH2 2.94Å; T294-R300 WeakPolarHBondContact OG1-CA 3.14Å; T294-R300 VanDerWaalsContact OG1-CB 3.22Å; T294-R300 WeakPolarHBondContact OG1-CB 3.16Å; T294-R300 PolarHBondContact OG1-N 3.13Å; F295-R300 PolarHBondContact O-NH2 2.76Å; P297-R300 WeakPolarHBondContact O-CB 3.48Å; M298-R300 VanDerWaalsContact C-N 3.26Å; R300-T302 PolarHBondContact O-N 3.03Å
301L98.1Very high96.7Very high15 Ų1541.7 Ų41.78%0.07921%0.214CC..PPolyproline II helixtrans-55.3136.4170.2-63.9178.5000111.5M212 F288 K291 I292 M305M212-L301 WeakPolarHBondContact CE-O 3.41Å; M212-L301 WeakPolarHBondContact CG-O 3.47Å; F288-L301 HydrophobicContact CD2-CD1 4.2Å; F288-L301 HydrophobicContact CE2-CD1 3.99Å; K291-L301 HydrophobicContact CB-CD1 3.62Å; K291-L301 HydrophobicContact CB-CD2 4.16Å; K291-L301 HydrophobicContact CB-CG 3.72Å; K291-L301 HydrophobicContact CD-CD2 4.46Å; K291-L301 PolarHBondContact O-N 2.76Å; I292-L301 HydrophobicContact CB-CD1 4.48Å; L301-M305 HydrophobicContact CB-CB 4.44Å; L301-M305 HydrophobicContact CD2-CB 3.91Å; L301-M305 HydrophobicContact CD2-CE 3.97Å
302T98.3Very high96.6Very high68 Ų6838.2 Ų38.242%0.41720%0.198SC..PPolyproline II helixtrans-77.6167.1162.167.90000110R300 E304 M305 G306R300-T302 PolarHBondContact O-N 3.03Å; T302-E304 VanDerWaalsContact C-N 3.27Å; T302-E304 PolarHBondContact O-N 2.97Å; T302-M305 HydrophobicContact CG2-SD 4.17Å; T302-M305 PolarHBondContact O-N 2.83Å; T302-M305 VanDerWaalsContact OG1-CG 3.31Å; T302-M305 WeakPolarHBondContact OG1-CG 3.4Å; T302-M305 PolarHBondContact OG1-N 2.54Å; T302-M305 VanDerWaalsContact OG1-N 3.16Å; T302-G306 PolarHBondContact O-N 2.83Å
303A98.1Very high96.4Very high3 Ų342.1 Ų42.13%0.02523%0.226CC..Hα-helixtrans-57.4-41.6175.600000112.1L137 K138 M212 G306 L307L137-A303 HydrophobicContact CB-CB 4.06Å; K138-A303 HydrophobicContact CB-CB 3.99Å; M212-A303 HydrophobicContact CE-CB 4.38Å; M212-A303 HydrophobicContact SD-CB 3.91Å; M212-A303 PolarHBondContact SD-N 2.85Å; A303-G306 PolarHBondContact O-N 2.98Å; A303-L307 WeakPolarHBondContact O-CG 3.48Å; A303-L307 PolarHBondContact O-N 3.21Å
304E97.1Very high96.2Very high105 Ų10546 Ų4649%0.49125%0.251SS..Hα-helixtrans-64.6-45.8177.1-176.3170.6-160.600112.5T302 G306 L307 Q308T302-E304 VanDerWaalsContact C-N 3.27Å; T302-E304 PolarHBondContact O-N 2.97Å; E304-G306 VanDerWaalsContact C-N 3.27Å; E304-G306 PolarHBondContact O-N 3.05Å; E304-L307 PolarHBondContact O-N 3.17Å; E304-Q308 WeakPolarHBondContact O-CG 3.32Å; E304-Q308 PolarHBondContact O-N 3.27Å
305M97.9Very high96Very high101 Ų10148.4 Ų48.450%0.49826%0.259SS..Hα-helixtrans-65.9-32.7175-66.2170.571.500111.9L301 T302 Q308 H309L301-M305 HydrophobicContact CB-CB 4.44Å; L301-M305 HydrophobicContact CD2-CB 3.91Å; L301-M305 HydrophobicContact CD2-CE 3.97Å; T302-M305 HydrophobicContact CG2-SD 4.17Å; T302-M305 PolarHBondContact O-N 2.83Å; T302-M305 VanDerWaalsContact OG1-CG 3.31Å; T302-M305 WeakPolarHBondContact OG1-CG 3.4Å; T302-M305 PolarHBondContact OG1-N 2.54Å; T302-M305 VanDerWaalsContact OG1-N 3.16Å; M305-Q308 PolarHBondContact O-N 3.22Å; M305-H309 PolarHBondContact O-N 3.46Å
306G98Very high95.9Very high0 Ų050.1 Ų50.10%027%0.271CS..Hα-helixtrans-66.1-40.8176.500000112.9T302 A303 E304 Q308 H309 M312T302-G306 PolarHBondContact O-N 2.83Å; A303-G306 PolarHBondContact O-N 2.98Å; E304-G306 VanDerWaalsContact C-N 3.27Å; E304-G306 PolarHBondContact O-N 3.05Å; G306-Q308 VanDerWaalsContact C-N 3.28Å; G306-Q308 PolarHBondContact O-N 3.12Å; G306-H309 VanDerWaalsContact O-CB 3.25Å; G306-H309 WeakPolarHBondContact O-CB 3.41Å; G306-H309 PolarHBondContact O-N 3.14Å; G306-M312 VanDerWaalsContact O-CG 3.29Å; G306-M312 WeakPolarHBondContact O-CG 3.36Å
307L98.1Very high95.9Very high0 Ų052 Ų520%028%0.284CS..Hα-helixtrans-65.7-30.9176.7-71.7160.7000112.5Y131 L134 R135 K138 A303 E304 H309 M312 S316 E321Y131-L307 HydrophobicContact CD2-CD2 3.48Å; Y131-L307 VanDerWaalsContact CD2-CD2 3.48Å; Y131-L307 HydrophobicContact CE2-CD2 3.47Å; Y131-L307 VanDerWaalsContact CE2-CD2 3.47Å; Y131-L307 HydrophobicContact CG-CD2 4.44Å; L134-L307 HydrophobicContact CB-CD2 3.74Å; L134-L307 HydrophobicContact CB-CG 3.87Å; R135-L307 HydrophobicContact CB-CD2 4.44Å; K138-L307 HydrophobicContact CB-CD1 4.09Å; K138-L307 HydrophobicContact CD-CD1 3.71Å; K138-L307 HydrophobicContact CG-CD1 4.41Å; A303-L307 WeakPolarHBondContact O-CG 3.48Å; A303-L307 PolarHBondContact O-N 3.21Å; E304-L307 PolarHBondContact O-N 3.17Å; L307-H309 VanDerWaalsContact C-N 3.3Å; L307-H309 PolarHBondContact O-N 3.31Å; L307-M312 WeakPolarHBondContact O-CB 3.29Å; L307-S316 PolarHBondContact O-OG 2.89Å; L307-E321 HydrophobicContact CD1-CG 4.22Å
308Q97.3Very high96Very high133 Ų13355 Ų5562%0.62130%0.304SS*.THydrogen-bonded Turntrans-82.3-4.5176.9-65.4173.412.200113.8E304 M305 G306E304-Q308 WeakPolarHBondContact O-CG 3.32Å; E304-Q308 PolarHBondContact O-N 3.27Å; M305-Q308 PolarHBondContact O-N 3.22Å; G306-Q308 VanDerWaalsContact C-N 3.28Å; G306-Q308 PolarHBondContact O-N 3.12Å
309H98.1Very high96Very high12 Ų1255.3 Ų55.36%0.05630%0.304CS..SBendtrans-68.5143.8-178.7-167.4-89.8000111.2D287 F288 K291 M305 G306 L307 Y311 M312D287-H309 IonicContact OD2-CE1 3Å; D287-H309 PolarHBondContact OD2-CE1 3.47Å; D287-H309 IonicContact OD2-NE2 2.99Å; D287-H309 PolarHBondContact OD2-NE2 3.26Å; D287-H309 VanDerWaalsContact OD2-NE2 3.13Å; F288-H309 HydrophobicContact CD2-CB 3.73Å; F288-H309 AromaticContact CD2-CG 3.52Å; F288-H309 AromaticContact CD2-ND1 3.59Å; F288-H309 HydrophobicContact CE2-CB 4.06Å; K291-H309 PolarHBondContact NZ-NE2 2.84Å; M305-H309 PolarHBondContact O-N 3.46Å; G306-H309 VanDerWaalsContact O-CB 3.25Å; G306-H309 WeakPolarHBondContact O-CB 3.41Å; G306-H309 PolarHBondContact O-N 3.14Å; L307-H309 VanDerWaalsContact C-N 3.3Å; L307-H309 PolarHBondContact O-N 3.31Å; H309-Y311 WeakPolarHBondContact ND1-CB 3.26Å; H309-Y311 PolarHBondContact ND1-N 3.47Å; H309-Y311 PolarHBondContact O-N 3.36Å; H309-Y311 VanDerWaalsContact O-N 3.08Å; H309-M312 PolarHBondContact O-N 3.31Å
310P97.3Very high95.9Very high70 Ų7055.9 Ų55.946%0.45531%0.306SS..G310 helixtrans-48.1-41178.5-32.437.1000114.5E284 M312 S313E284-P310 WeakPolarHBondContact OE1-CB 3.41Å; E284-P310 VanDerWaalsContact OE1-O 3.11Å; P310-M312 PolarHBondContact O-N 3.07Å; P310-S313 WeakPolarHBondContact O-CB 3.28Å; P310-S313 PolarHBondContact O-N 3.04Å; P310-S313 PolarHBondContact O-OG 3.43Å
311Y97.3Very high95.9Very high0 Ų055.7 Ų55.70%031%0.306CS..G310 helixtrans-53.2-28.5175.9-172.1-119000114.6K127 L219 E284 A285 F288 H309K127-Y311 HydrophobicContact CB-CE1 4.38Å; K127-Y311 HydrophobicContact CD-CE2 4.35Å; K127-Y311 VanDerWaalsContact CD-O 3.31Å; K127-Y311 WeakPolarHBondContact CD-O 3.38Å; K127-Y311 VanDerWaalsContact CE-CE2 3.41Å; K127-Y311 HydrophobicContact CG-CE1 4.1Å; K127-Y311 HydrophobicContact CG-CE2 4.23Å; K127-Y311 WeakPolarHBondContact CG-O 3.29Å; L219-Y311 HydrophobicContact CD1-CE1 4.16Å; L219-Y311 HydrophobicContact CD2-CE1 3.99Å; E284-Y311 HydrophobicContact CB-CD2 4.26Å; E284-Y311 HydrophobicContact CG-CD2 4.07Å; E284-Y311 HydrophobicContact CG-CG 4.49Å; E284-Y311 WeakPolarHBondContact OE1-CA 3.32Å; E284-Y311 PolarHBondContact OE1-N 3.32Å; A285-Y311 HydrophobicContact CB-CD2 4.02Å; A285-Y311 HydrophobicContact CB-CE1 4.41Å; A285-Y311 HydrophobicContact CB-CE2 3.5Å; F288-Y311 HydrophobicContact CB-CD1 4.13Å; F288-Y311 HydrophobicContact CB-CG 4.23Å; F288-Y311 HydrophobicContact CD1-CD1 4.34Å; F288-Y311 HydrophobicContact CG-CD1 4.07Å; H309-Y311 WeakPolarHBondContact ND1-CB 3.26Å; H309-Y311 PolarHBondContact ND1-N 3.47Å; H309-Y311 PolarHBondContact O-N 3.36Å; H309-Y311 VanDerWaalsContact O-N 3.08Å
312M96.4Very high95.8Very high0 Ų057.5 Ų57.50%032%0.318CS..G310 helixtrans-95.6-4.4179-59.6-54.8168.800113.6M130 L134 F288 G306 L307 H309 P310 P314 Y315 S316M130-M312 HydrophobicContact CB-CE 3.84Å; M130-M312 HydrophobicContact CG-CE 3.28Å; L134-M312 HydrophobicContact CD1-CE 3.73Å; L134-M312 HydrophobicContact CD1-CG 4.3Å; L134-M312 HydrophobicContact CD1-SD 4.45Å; F288-M312 HydrophobicContact CD2-CE 4.33Å; F288-M312 HydrophobicContact CE1-CE 4.09Å; F288-M312 HydrophobicContact CE2-CE 3.88Å; F288-M312 HydrophobicContact CZ-CE 3.77Å; G306-M312 VanDerWaalsContact O-CG 3.29Å; G306-M312 WeakPolarHBondContact O-CG 3.36Å; L307-M312 WeakPolarHBondContact O-CB 3.29Å; H309-M312 PolarHBondContact O-N 3.31Å; P310-M312 PolarHBondContact O-N 3.07Å; M312-P314 VanDerWaalsContact C-N 3.29Å; M312-P314 WeakPolarHBondContact O-CD 3.44Å; M312-P314 VanDerWaalsContact O-N 3.12Å; M312-Y315 PolarHBondContact O-N 3.15Å; M312-S316 PolarHBondContact O-N 3Å
313S94Very high95.7Very high82 Ų8257.9 Ų57.957%0.57332%0.321SS*.THydrogen-bonded Turntrans-53.6-31.7-174.363.40000115.7P310 Y315P310-S313 WeakPolarHBondContact O-CB 3.28Å; P310-S313 PolarHBondContact O-N 3.04Å; P310-S313 PolarHBondContact O-OG 3.43Å; S313-Y315 PolarHBondContact O-N 2.99Å
314P94.1Very high95.5Very high84 Ų8458.3 Ų58.355%0.54532%0.324SS..THydrogen-bonded Turntrans-66.1-23.2177.5-22.735.9000114.1K127 M312K127-P314 HydrophobicContact CD-CG 4.25Å; M312-P314 VanDerWaalsContact C-N 3.29Å; M312-P314 WeakPolarHBondContact O-CD 3.44Å; M312-P314 VanDerWaalsContact O-N 3.12Å
315Y93.8Very high95.2Very high71 Ų7161.4 Ų61.428%0.27834%0.338SS..THydrogen-bonded Turntrans-115.5-18-174.1-57.4-66.6000113.6E124 K127 L128 Y131 M312 S313 C317E124-Y315 PolarHBondContact O-OH 3.23Å; K127-Y315 HydrophobicContact CB-CE2 4.13Å; K127-Y315 HydrophobicContact CD-CD2 4.39Å; K127-Y315 HydrophobicContact CD-CE2 3.89Å; K127-Y315 HydrophobicContact CG-CD2 4.14Å; K127-Y315 HydrophobicContact CG-CE2 3.8Å; L128-Y315 HydrophobicContact CB-CE1 4.32Å; L128-Y315 HydrophobicContact CB-CE2 4.02Å; L128-Y315 HydrophobicContact CD1-CD1 3.93Å; L128-Y315 HydrophobicContact CD1-CE1 3.81Å; L128-Y315 HydrophobicContact CD1-CG 4.39Å; Y131-Y315 HydrophobicContact CD1-CG 4.48Å; Y131-Y315 WeakPolarHBondContact CE2-O 3.48Å; Y131-Y315 HydrophobicContact CG-CG 4.4Å; Y131-Y315 PolarHBondContact OH-O 2.93Å; M312-Y315 PolarHBondContact O-N 3.15Å; S313-Y315 PolarHBondContact O-N 2.99Å; Y315-C317 PolarHBondContact O-N 2.96Å
316S91.5Very high94.7Very high40 Ų4062.4 Ų62.428%0.2834%0.341SS..  trans-59.7123.2-176.7-176.30000111.9L307 M312 E321L307-S316 PolarHBondContact O-OG 2.89Å; M312-S316 PolarHBondContact O-N 3Å; S316-E321 PolarHBondContact OG-OE1 2.92Å; S316-E321 VanDerWaalsContact OG-OE1 3.13Å
317C93.7Very high94.2Very high49 Ų4965 Ų6533%0.33136%0.359SS..  trans-140.290.8175.1-178.70000107.8Y315 E319 D320 E321Y315-C317 PolarHBondContact O-N 2.96Å; C317-E319 PolarHBondContact O-N 3.32Å; C317-E319 PolarHBondContact SG-OE2 3.18Å; C317-D320 HydrophobicContact CB-CB 4.18Å; C317-D320 CarbonylContact O-C 3.55Å; C317-D320 WeakPolarHBondContact O-CA 3.44Å; C317-D320 PolarHBondContact O-N 2.9Å; C317-E321 PolarHBondContact N-OE1 3.25Å; C317-E321 WeakPolarHBondContact O-CG 3.47Å; C317-E321 PolarHBondContact O-N 2.75Å
318P92.8Very high93.7Very high82 Ų8265.2 Ų65.253%0.53236%0.359SS..G310 helixtrans-53.4-31.1-174.8-29.836.8000114.6D320 E321P318-D320 VanDerWaalsContact C-N 3.32Å; P318-E321 PolarHBondContact O-N 2.71Å
319E92.3Very high93.1Very high164 Ų16466.9 Ų66.977%0.76636%0.36SS*.G310 helixtrans-69.2-29.5177.4-58.276.4-165.700112.9C317C317-E319 PolarHBondContact O-N 3.32Å; C317-E319 PolarHBondContact SG-OE2 3.18Å
320D93.5Very high91.9Very high83 Ų8367.7 Ų67.744%0.44437%0.365SS..G310 helixtrans-99.720.4175.9-171.935.9000111.7R135 C317 P318 P322R135-D320 VanDerWaalsContact CZ-O 3.26Å; R135-D320 IonicContact CZ-OD1 3.06Å; R135-D320 PolarHBondContact NE-O 2.83Å; R135-D320 IonicContact NE-OD2 3.41Å; R135-D320 PolarHBondContact NH2-O 3.41Å; R135-D320 VanDerWaalsContact NH2-O 3.11Å; R135-D320 IonicContact NH2-OD1 3.65Å; R135-D320 PolarHBondContact NH2-OD1 3.26Å; R135-D320 IonicContact NH2-OD2 3.34Å; C317-D320 HydrophobicContact CB-CB 4.18Å; C317-D320 CarbonylContact O-C 3.55Å; C317-D320 WeakPolarHBondContact O-CA 3.44Å; C317-D320 PolarHBondContact O-N 2.9Å; P318-D320 VanDerWaalsContact C-N 3.32Å; D320-P322 VanDerWaalsContact C-CD 3.41Å; D320-P322 WeakPolarHBondContact O-CD 3.32Å
321E96.3Very high90.9Very high8 Ų869.2 Ų69.24%0.03737%0.365CS..  trans-115.972.5176-68.6167.7-163.100110.6R135 K138 L307 S316 C317 P318R135-E321 HydrophobicContact CG-CG 4.49Å; K138-E321 HydrophobicContact CD-CB 4.03Å; K138-E321 VanDerWaalsContact CE-O 3.31Å; K138-E321 WeakPolarHBondContact CE-O 3.19Å; K138-E321 PolarHBondContact NZ-O 3.33Å; K138-E321 IonicContact NZ-OE2 3.89Å; K138-E321 PolarHBondContact NZ-OE2 2.8Å; L307-E321 HydrophobicContact CD1-CG 4.22Å; S316-E321 PolarHBondContact OG-OE1 2.92Å; S316-E321 VanDerWaalsContact OG-OE1 3.13Å; C317-E321 PolarHBondContact N-OE1 3.25Å; C317-E321 WeakPolarHBondContact O-CG 3.47Å; C317-E321 PolarHBondContact O-N 2.75Å; P318-E321 PolarHBondContact O-N 2.71Å
322P96.5Very high89.8Confident52 Ų5270.6 Ų70.634%0.33837%0.373SS..  trans-70.8154.6-169.830.4-37.5000113.2D320D320-P322 VanDerWaalsContact C-CD 3.41Å; D320-P322 WeakPolarHBondContact O-CD 3.32Å
323T96.4Very high88.5Confident77 Ų7771.1 Ų71.147%0.47238%0.375SS..  trans-109.5152.8168.956.20000110.5K138 S142 Q325K138-T323 HydrophobicContact CG-CG2 4.37Å; S142-T323 WeakPolarHBondContact OG-CA 3.41Å; S142-T323 WeakPolarHBondContact OG-CB 3.14Å; T323-Q325 PolarHBondContact O-N 2.78Å
324S93.8Very high87Confident12 Ų1271.1 Ų71.18%0.08437%0.368CS..  trans-65126.1172.9177.20000110.9S142 H326S142-S324 PolarHBondContact OG-N 3.3Å; S324-H326 PolarHBondContact O-N 3.42Å; S324-H326 PolarHBondContact OG-N 2.89Å; S324-H326 PolarHBondContact OG-O 2.82Å
325Q89.9Confident85.4Confident169 Ų16971.4 Ų71.479%0.7937%0.365SS*.SBendtrans-73.5-17.4176.9-62.2-175.51.700112.8T323T323-Q325 PolarHBondContact O-N 2.78Å
326H86.9Confident83.8Confident122 Ų12268.5 Ų68.557%0.56535%0.354SS*.SBendtrans-128.190.7-175.6-57.4-46000108.6R71 S324R71-H326 PolarHBondContact NE-O 3.33Å; R71-H326 PolarHBondContact NH2-O 2.78Å; S324-H326 PolarHBondContact O-N 3.42Å; S324-H326 PolarHBondContact OG-N 2.89Å; S324-H326 PolarHBondContact OG-O 2.82Å
327P88.9Confident82.3Confident56 Ų5670.5 Ų70.536%0.36436%0.361SS..  trans-64.6144.4170.8-19.331.9000111.8R71 A143R71-P327 VanDerWaalsContact NH2-C 3.31Å; R71-P327 PolarHBondContact NH2-O 3.45Å; A143-P327 WeakPolarHBondContact O-CA 3.38Å
328F87.3Confident80.7Confident3 Ų372.5 Ų72.51%0.01337%0.372CS..  trans-71149.6169.4-70.1-93.1000110.4K67 I68 R71 L72 A143 V145 I174 D332K67-F328 HydrophobicContact CG-CE1 4.39Å; I68-F328 HydrophobicContact CB-CZ 4.45Å; I68-F328 HydrophobicContact CG1-CE1 4.4Å; I68-F328 HydrophobicContact CG1-CZ 4.36Å; R71-F328 HydrophobicContact CB-CE1 4.45Å; R71-F328 HydrophobicContact CB-CZ 3.79Å; R71-F328 HydrophobicContact CG-CE2 4.29Å; R71-F328 HydrophobicContact CG-CZ 3.86Å; L72-F328 HydrophobicContact CD2-CE2 4.31Å; A143-F328 HydrophobicContact CB-CD2 4.17Å; A143-F328 HydrophobicContact CB-CE2 4.38Å; A143-F328 WeakPolarHBondContact O-CD2 3.22Å; A143-F328 PolarHBondContact O-N 3.28Å; V145-F328 HydrophobicContact CG2-CD2 3.38Å; V145-F328 HydrophobicContact CG2-CE2 3.67Å; V145-F328 HydrophobicContact CG2-CG 4.18Å; I174-F328 HydrophobicContact CB-CB 4.37Å; I174-F328 HydrophobicContact CD1-CB 3.67Å; I174-F328 HydrophobicContact CD1-CD1 3.88Å; I174-F328 HydrophobicContact CD1-CG 4.06Å; I174-F328 HydrophobicContact CG1-CB 3.65Å; I174-F328 HydrophobicContact CG1-CD1 4.38Å; I174-F328 HydrophobicContact CG1-CG 4.13Å; I174-F328 HydrophobicContact CG2-CB 3.8Å; F328-D332 HydrophobicContact CD1-CB 4.47Å
329R84.1Confident79.1Confident168 Ų16872.7 Ų72.763%0.63437%0.368SS*.  trans-115.3158.9176.4-60.9-175.2-179.5-179.9-0.7110.1E331 D332R329-E331 WeakPolarHBondContact CB-OE2 3.49Å; R329-E331 WeakPolarHBondContact CD-OE2 3.5Å; R329-E331 PolarHBondContact O-N 3.38Å; R329-D332 PolarHBondContact N-OD2 2.79Å; R329-D332 WeakPolarHBondContact O-CB 3.35Å; R329-D332 PolarHBondContact O-N 2.93Å
330I74Confident77.6Confident30 Ų3065.7 Ų65.715%0.15434%0.335CS..THydrogen-bonded Turntrans-63-29.1177.9-164.861000112.5D176 Y179 D332 E333 I334D176-I330 HydrophobicContact CB-CB 4.31Å; D176-I330 HydrophobicContact CB-CD1 4.2Å; D176-I330 HydrophobicContact CB-CG1 4.41Å; D176-I330 WeakPolarHBondContact OD2-CB 3.24Å; D176-I330 WeakPolarHBondContact OD2-CG1 3.26Å; D176-I330 VanDerWaalsContact OD2-CG2 3.27Å; D176-I330 WeakPolarHBondContact OD2-CG2 3.36Å; Y179-I330 HydrophobicContact CD1-CD1 4.43Å; I330-D332 PolarHBondContact O-N 2.78Å; I330-D332 VanDerWaalsContact O-N 3.17Å; I330-E333 HydrophobicContact CD1-CB 4.44Å; I330-E333 HydrophobicContact CD1-CG 4.48Å; I330-E333 WeakPolarHBondContact O-CA 3.49Å; I330-E333 WeakPolarHBondContact O-CB 3.46Å; I330-E333 PolarHBondContact O-N 3.37Å; I330-I334 HydrophobicContact CG1-CD1 4.47Å; I330-I334 HydrophobicContact CG2-CD1 4.45Å; I330-I334 PolarHBondContact O-N 3.41Å
331E75.3Confident75.9Confident101 Ų10164.4 Ų64.447%0.47234%0.336SS..Hα-helixtrans-54.1-33.6172.3-60.9114-149.100111.4R329 E333 I334 D335R329-E331 WeakPolarHBondContact CB-OE2 3.49Å; R329-E331 WeakPolarHBondContact CD-OE2 3.5Å; R329-E331 PolarHBondContact O-N 3.38Å; E331-E333 PolarHBondContact O-N 3.1Å; E331-I334 PolarHBondContact O-N 2.97Å; E331-D335 PolarHBondContact O-N 3.39Å
332D74.8Confident74.2Confident29 Ų2966.5 Ų66.516%0.15536%0.355CS..Hα-helixtrans-62.6-24.1176.4-71.4-56.8000113.1K67 I174 F328 R329 I330K67-D332 VanDerWaalsContact CE-OD1 3.32Å; K67-D332 WeakPolarHBondContact CE-OD1 3.34Å; K67-D332 PolarHBondContact NZ-O 2.74Å; K67-D332 IonicContact NZ-OD1 3.63Å; K67-D332 PolarHBondContact NZ-OD1 2.84Å; I174-D332 HydrophobicContact CD1-CB 3.82Å; F328-D332 HydrophobicContact CD1-CB 4.47Å; R329-D332 PolarHBondContact N-OD2 2.79Å; R329-D332 WeakPolarHBondContact O-CB 3.35Å; R329-D332 PolarHBondContact O-N 2.93Å; I330-D332 PolarHBondContact O-N 2.78Å; I330-D332 VanDerWaalsContact O-N 3.17Å
333E69.6Low72.2Confident12 Ų1266.2 Ų66.26%0.05635%0.351CS..Hα-helixtrans-91-24.6172.6-63-158.3168.900113.2R64 I174 H181 I330 E331R64-E333 IonicContact CZ-OE1 3.95Å; R64-E333 IonicContact CZ-OE2 3.98Å; R64-E333 IonicContact NH1-OE1 3.85Å; R64-E333 PolarHBondContact NH1-OE1 3.06Å; R64-E333 IonicContact NH1-OE2 3.33Å; R64-E333 PolarHBondContact NH1-OE2 3.46Å; R64-E333 IonicContact NH2-OE2 2.75Å; I174-E333 HydrophobicContact CB-CG 4.12Å; I174-E333 HydrophobicContact CD1-CG 3.57Å; I174-E333 HydrophobicContact CG1-CG 4.18Å; I174-E333 PolarHBondContact N-OE1 2.86Å; H181-E333 IonicContact CE1-OE1 3.48Å; H181-E333 IonicContact CE1-OE2 2.8Å; H181-E333 PolarHBondContact CE1-OE2 3.39Å; H181-E333 IonicContact ND1-OE2 3.76Å; I330-E333 HydrophobicContact CD1-CB 4.44Å; I330-E333 HydrophobicContact CD1-CG 4.48Å; I330-E333 WeakPolarHBondContact O-CA 3.49Å; I330-E333 WeakPolarHBondContact O-CB 3.46Å; I330-E333 PolarHBondContact O-N 3.37Å; E331-E333 PolarHBondContact O-N 3.1Å
334I60.6Low70.1Confident81 Ų8168 Ų6842%0.41535%0.353SS..Hα-helixtrans-77.9-39.2-176.9-64.8170.2000110.7I330 E331 D336 I337 V338I330-I334 HydrophobicContact CG1-CD1 4.47Å; I330-I334 HydrophobicContact CG2-CD1 4.45Å; I330-I334 PolarHBondContact O-N 3.41Å; E331-I334 PolarHBondContact O-N 2.97Å; I334-D336 PolarHBondContact O-N 2.91Å; I334-D336 VanDerWaalsContact O-N 3.16Å; I334-I337 WeakPolarHBondContact O-CA 3.3Å; I334-I337 WeakPolarHBondContact O-CB 3.44Å; I334-I337 PolarHBondContact O-N 2.81Å; I334-V338 HydrophobicContact CG2-CG2 4.34Å; I334-V338 PolarHBondContact O-N 3.47Å
335D61.7Low68Low90 Ų9071 Ų7148%0.48138%0.375SS..Hα-helixtrans-51.9-38.9174-74.1-19000111.1E331 I337 V338 L339E331-D335 PolarHBondContact O-N 3.39Å; D335-I337 PolarHBondContact O-N 2.58Å; D335-V338 PolarHBondContact O-N 3.04Å; D335-L339 WeakPolarHBondContact O-CB 3.48Å; D335-L339 WeakPolarHBondContact O-CD1 3.36Å; D335-L339 PolarHBondContact O-N 3.18Å
336D60.6Low65.8Low11 Ų1169.7 Ų69.76%0.05937%0.369CS..Hα-helixtrans-64.3-38.2176.7-63.3-23.6000112.4I334 M340I334-D336 PolarHBondContact O-N 2.91Å; I334-D336 VanDerWaalsContact O-N 3.16Å; D336-M340 WeakPolarHBondContact O-CB 3.43Å; D336-M340 WeakPolarHBondContact O-CG 3.47Å; D336-M340 PolarHBondContact O-N 3.09Å
337I59.9Low63.6Low82 Ų8268.9 Ų68.942%0.42137%0.368SS..Hα-helixtrans-68.1-40.6177.2-61173.4000110.3I334 D335 M340 A341I334-I337 WeakPolarHBondContact O-CA 3.3Å; I334-I337 WeakPolarHBondContact O-CB 3.44Å; I334-I337 PolarHBondContact O-N 2.81Å; D335-I337 PolarHBondContact O-N 2.58Å; I337-M340 WeakPolarHBondContact O-CB 3.26Å; I337-M340 PolarHBondContact O-N 2.86Å; I337-A341 WeakPolarHBondContact O-CB 3.42Å; I337-A341 PolarHBondContact O-N 3.5Å
338V58.9Low61.2Low91 Ų9169.6 Ų69.655%0.55237%0.374SS*.Hα-helixtrans-67.9-43.3178.3177.10000110.5I334 D335 M340 A341 A342I334-V338 HydrophobicContact CG2-CG2 4.34Å; I334-V338 PolarHBondContact O-N 3.47Å; D335-V338 PolarHBondContact O-N 3.04Å; V338-M340 VanDerWaalsContact C-N 3.3Å; V338-M340 PolarHBondContact O-N 3.32Å; V338-A341 PolarHBondContact O-N 2.81Å; V338-A342 WeakPolarHBondContact O-CB 3.35Å; V338-A342 PolarHBondContact O-N 3.05Å
339L60.6Low58.7Low86 Ų8675 Ų7545%0.4540%0.403SS..Hα-helixtrans-57.3-42.3171.4-88.6149.2000111.8L96 D335 N343L96-L339 HydrophobicContact CD1-CB 4.45Å; L96-L339 HydrophobicContact CD1-CD2 3.88Å; D335-L339 WeakPolarHBondContact O-CB 3.48Å; D335-L339 WeakPolarHBondContact O-CD1 3.36Å; D335-L339 PolarHBondContact O-N 3.18Å; L339-N343 PolarHBondContact O-N 3.42Å; L339-N343 VanDerWaalsContact O-N 3.14Å
340M60.5Low56.6Low16 Ų1675.6 Ų75.68%0.07941%0.405CS..Hα-helixtrans-63.7-45.9175.4-67.1-109.5160.900112.5A56 M59 K60 L63 D336 I337 V338 N343 Q344A56-M340 HydrophobicContact CB-SD 4.08Å; M59-M340 VanDerWaalsContact C-CE 3.48Å; M59-M340 HydrophobicContact CB-CE 3.71Å; M59-M340 HydrophobicContact CG-CE 3.5Å; M59-M340 VanDerWaalsContact CG-CE 3.5Å; M59-M340 HydrophobicContact SD-CE 3.83Å; M59-M340 HydrophobicContact SD-SD 4.48Å; K60-M340 VanDerWaalsContact CA-CE 3.43Å; K60-M340 HydrophobicContact CB-CE 3.71Å; K60-M340 HydrophobicContact CB-SD 4.19Å; L63-M340 HydrophobicContact CD1-CE 3.66Å; D336-M340 WeakPolarHBondContact O-CB 3.43Å; D336-M340 WeakPolarHBondContact O-CG 3.47Å; D336-M340 PolarHBondContact O-N 3.09Å; I337-M340 WeakPolarHBondContact O-CB 3.26Å; I337-M340 PolarHBondContact O-N 2.86Å; V338-M340 VanDerWaalsContact C-N 3.3Å; V338-M340 PolarHBondContact O-N 3.32Å; M340-N343 PolarHBondContact O-N 2.88Å; M340-Q344 WeakPolarHBondContact O-CG 3.24Å; M340-Q344 PolarHBondContact O-N 3.41Å
341A58.6Low54.6Low57 Ų5781 Ų8147%0.47144%0.435SS..Hα-helixtrans-67-38.6-17900000112I337 V338 N343 Q344I337-A341 WeakPolarHBondContact O-CB 3.42Å; I337-A341 PolarHBondContact O-N 3.5Å; V338-A341 PolarHBondContact O-N 2.81Å; A341-N343 VanDerWaalsContact C-N 3.3Å; A341-N343 PolarHBondContact O-N 3.09Å; A341-Q344 PolarHBondContact O-N 3.09Å
342A58.5Low52.7Low52 Ų5281.1 Ų81.143%0.4344%0.442SS..Hα-helixtrans-65.8-32.6175.600000112.5V338 S345V338-A342 WeakPolarHBondContact O-CB 3.35Å; V338-A342 PolarHBondContact O-N 3.05Å; A342-S345 PolarHBondContact O-OG 3.36Å
343N54.9Low50.7Low46 Ų4685 Ų8525%0.24647%0.47CS..Hα-helixtrans-82.3-29.2176-90.632000113.7L96 L339 M340 A341 S345 Q346 L347L96-N343 WeakPolarHBondContact CB-ND2 3.36Å; L96-N343 HydrophobicContact CD1-CB 4.46Å; L96-N343 VanDerWaalsContact CD1-ND2 3.26Å; L96-N343 WeakPolarHBondContact CD1-ND2 3.5Å; L339-N343 PolarHBondContact O-N 3.42Å; L339-N343 VanDerWaalsContact O-N 3.14Å; M340-N343 PolarHBondContact O-N 2.88Å; A341-N343 VanDerWaalsContact C-N 3.3Å; A341-N343 PolarHBondContact O-N 3.09Å; N343-S345 PolarHBondContact O-N 3.22Å; N343-Q346 CarbonylContact O-C 3.55Å; N343-Q346 WeakPolarHBondContact O-CA 3.41Å; N343-Q346 PolarHBondContact O-N 3.45Å; N343-L347 HydrophobicContact CB-CD1 4.34Å; N343-L347 WeakPolarHBondContact O-CD1 2.92Å; N343-L347 PolarHBondContact O-N 2.94Å
344Q53.1Low48.7Very low113 Ų11388.7 Ų88.753%0.52850%0.498SS..Hα-helixtrans-59.3-33.9174.3-78.8175.519.600112.6M340 A341 Q346 L347 S348M340-Q344 WeakPolarHBondContact O-CG 3.24Å; M340-Q344 PolarHBondContact O-N 3.41Å; A341-Q344 PolarHBondContact O-N 3.09Å; Q344-Q346 VanDerWaalsContact C-N 3.27Å; Q344-Q346 PolarHBondContact O-N 3.12Å; Q344-L347 PolarHBondContact O-N 3.47Å; Q344-S348 PolarHBondContact O-N 3.41Å
345S50.5Low47.2Very low76 Ų7689.7 Ų89.753%0.53151%0.512SS..Hα-helixtrans-71.6-19.1173.867.40000113.7A342 N343 S348A342-S345 PolarHBondContact O-OG 3.36Å; N343-S345 PolarHBondContact O-N 3.22Å; S345-S348 PolarHBondContact O-OG 3.35Å; S345-S348 VanDerWaalsContact O-OG 3.13Å
346Q42.9Very low45.5Very low142 Ų14295.6 Ų95.666%0.66453%0.528SS*.Hα-helixtrans-91.3-30.3171.1-64.4-152.5-2.500113N343 Q344 N349N343-Q346 CarbonylContact O-C 3.55Å; N343-Q346 WeakPolarHBondContact O-CA 3.41Å; N343-Q346 PolarHBondContact O-N 3.45Å; Q344-Q346 VanDerWaalsContact C-N 3.27Å; Q344-Q346 PolarHBondContact O-N 3.12Å; Q346-N349 WeakPolarHBondContact O-CB 3.42Å; Q346-N349 PolarHBondContact O-N 3.11Å
347L40.6Very low44Very low104 Ų104106.2 Ų106.255%0.54557%0.568SS.*Hα-helixtrans-69.6-29.5176.6-87.5138.1000112.7N343 Q344 N349 W350N343-L347 HydrophobicContact CB-CD1 4.34Å; N343-L347 WeakPolarHBondContact O-CD1 2.92Å; N343-L347 PolarHBondContact O-N 2.94Å; Q344-L347 PolarHBondContact O-N 3.47Å; L347-N349 PolarHBondContact O-N 3.02Å; L347-W350 WeakPolarHBondContact O-CB 3.47Å; L347-W350 PolarHBondContact O-N 3.01Å
348S38.4Very low42.6Very low71 Ų71107.6 Ų107.650%0.49758%0.582SS.*THydrogen-bonded Turntrans-63.3-18.3171.454.90000113.8Q344 S345Q344-S348 PolarHBondContact O-N 3.41Å; S345-S348 PolarHBondContact O-OG 3.35Å; S345-S348 VanDerWaalsContact O-OG 3.13Å
349N35.7Very low41.1Very low118 Ų118109.9 Ų109.963%0.63160%0.596SS**THydrogen-bonded Turntrans-84.6-14.4172.7-78.4-13.7000113.2Q346 L347 T352Q346-N349 WeakPolarHBondContact O-CB 3.42Å; Q346-N349 PolarHBondContact O-N 3.11Å; L347-N349 PolarHBondContact O-N 3.02Å; N349-T352 PolarHBondContact O-N 3.42Å
350W38.7Very low39.5Very low179 Ų179110.9 Ų110.968%0.67861%0.61SS**THydrogen-bonded Turntrans-77.6-29.4-177.4-162.6-93.4000112.8L347 T352 C353L347-W350 WeakPolarHBondContact O-CB 3.47Å; L347-W350 PolarHBondContact O-N 3.01Å; W350-T352 PolarHBondContact O-N 3.13Å; W350-C353 PolarHBondContact O-N 2.81Å
351D32.7Very low37.9Very low145 Ų145118.3 Ų118.378%0.77565%0.65SS**THydrogen-bonded Turntrans-68.6-15.5175.4-75.4-27.1000113.3
352T35.9Very low36.2Very low102 Ų102120.9 Ų120.963%0.62666%0.664SS**THydrogen-bonded Turntrans-93.3-14177.5-46.20000112.8N349 W350N349-T352 PolarHBondContact O-N 3.42Å; W350-T352 PolarHBondContact O-N 3.13Å
353C31.6Very low34.6Very low110 Ų110122.7 Ų122.774%0.74367%0.674SS**THydrogen-bonded Turntrans-105.7-7.3-173.8-113.30000115.6W350W350-C353 PolarHBondContact O-N 2.81Å
354S28.1Very low33.2Very low90 Ų90127.1 Ų127.163%0.62970%0.697SS**SBendtrans-93.26.6175.2-70.80000115.1
355S28.8Very low31.9Very low102 Ų102128.7 Ų128.771%0.71371%0.709SS**SBendtrans-124.572173.6-163.20000111.2
356R27.1Very low30.7Very low215 Ų215132 Ų13281%0.81172%0.716SS**  trans-163.978.6158.9-116.4-178.4-86.5-164.5-2.4110.8
357Y27Very low29.8Very low234 Ų234136 Ų13692%0.91873%0.725SS**  trans-85.9121.1145.2-77.6-84.1000107.4
358P30.9Very low28.9Very low110 Ų110141.8 Ų141.871%0.71474%0.739SS**  trans-104.2123.6152.1614000109.1
359V28Very low28.9Very low139 Ų139143.3 Ų143.384%0.84275%0.748SS**  trans-56.8138.8160.6175.80000109
360S26.5Very low28.4Very low107 Ų107143.6 Ų143.675%0.74875%0.749SS**  trans-46144.7-179.3-43.90000115.4
361L26.6Very low27.8Very low173 Ų173145.9 Ų145.991%0.90676%0.758SS**  trans-169.2117.9135.5-99.9164.1000111.5
362S23.3Very low27.3Very low111 Ų111144.1 Ų144.178%0.77676%0.756SS**  trans70.6129.9141.7-160.10000123.4
363S24.8Very low26.8Very low89 Ų89147.9 Ų147.962%0.62277%0.766SS**  trans8899.8143.9-171.30000119.6
364D25.8Very low26.5Very low139 Ų139150 Ų15074%0.74377%0.77SS**  82.4132.8120-62.1-35.8000123.8
365L26.4Very low26.4Very low147 Ų147149.6 Ų149.677%0.7777%0.772SS**  trans87.695.6148.6-97.975.5000120.4
366E25.8Very low26.4Very low146 Ų146150.5 Ų150.568%0.68278%0.779SS**  32.3123.1125.1-56.4-175.2151.300120.1
367W24.2Very low26.4Very low224 Ų224148.9 Ų148.985%0.84878%0.78SS**  168.2133.3100.4-90.694.4000109.9
368R21.1Very low26.6Very low226 Ų226143.2 Ų143.285%0.85377%0.77SS**  trans-118.7173.9157.9-90.1-159178.8-157.81.6106.1
369P38.7Very low26.4Very low104 Ų104146.9 Ų146.968%0.67578%0.777SS**  cis-139.4-163-3.825.41.6000113.7
370D24.8Very low26.5Very low123 Ų123151.6 Ų151.666%0.65878%0.78SS**  trans83.4140.5158.2-83.69.6000117.4
371R24.9Very low26.7Very low227 Ų227153.8 Ų153.886%0.85778%0.783SS**  cis-168.4170.727.9-128166.6-139.5-138.55.9113
372C22.3Very low27.5Very low109 Ų109149.9 Ų149.974%0.73677%0.769SS**  trans-67.6170.5179.8-82.80000119
373Q25.1Very low27.7Very low181 Ų181156 Ų15685%0.84678%0.775SS**  trans76.4147.9151-79.1163.5-6.200116.8
374D25.7Very low28Very low154 Ų154157 Ų15782%0.82479%0.788SS**  cis-161.8176.417.3-149.7-12000111.5
375A27.2Very low28.1Very low82 Ų82153.6 Ų153.668%0.67879%0.786SS**  trans-74.3163.9-177.400000117.5
376S28Very low28.3Very low121 Ų121152.9 Ų152.985%0.84679%0.793SS**  175.1139.3126.357.90000114.1
377E28Very low28.4Very low180 Ų180150.3 Ų150.384%0.84180%0.797SS**  trans-60.4168.1169-63.3170.5128.500114
378V30Very low29.4Very low116 Ų116145 Ų14570%0.70379%0.791SS**  163.6133.4103.5-157.80000111.9
379Q28.1Very low29.7Very low186 Ų186142.6 Ų142.687%0.86979%0.794SS**  trans85.2127.4141.7-98155.6-16.100125.2
380R30Very low29.1Very low239 Ų239141.6 Ų141.690%0.90279%0.794SS**  trans-80.3163.1164.3-50.7176.4-156.8136.84111.7
381D30.4Very low29.2Very low152 Ų152145 Ų14581%0.81381%0.806SS**  -165.9-176.8119.3-142.614.3000111.9
382P42.9Very low29.3Very low92 Ų92141.3 Ų141.360%0.59780%0.804SS**  -137.6-164.3-111.447.2-26.3000115.4
383R28.4Very low29.5Very low240 Ų240143 Ų14391%0.90681%0.81SS**  trans86.1110.9156.7-86.2178.9178.7160.41.4120.9
384A30.5Very low29.6Very low110 Ų110142.8 Ų142.891%0.90981%0.81SS**  166.2138.3111.500000108
385G28.2Very low29.7Very low67 Ų67142 Ų14269%0.69181%0.81SS**  cis167134.71.500000108.6
386S30.2Very low29.6Very low131 Ų131145 Ų14592%0.91682%0.815SS**  trans59129.4155.647.60000123.4
387A28.1Very low30.1Very low92 Ų92143.7 Ų143.776%0.7680%0.803SS**  trans-87.5-153.4173.300000112.4
388P45.2Very low30.1Very low113 Ų113146.1 Ų146.173%0.73481%0.805SS**  cis-135.4174.8-25.432.3-12.6000113.3
389L26.1Very low29.9Very low176 Ų176150 Ų15092%0.92181%0.812SS**  trans-175.4139132.2-109.6138.3000112.6
390A27.3Very low29.9Very low82 Ų82150.1 Ų150.168%0.67881%0.813SS**  trans-80.5155176.100000111.8
391E27.1Very low29.7Very low194 Ų194143 Ų14391%0.90780%0.799SS**  -174.3145.1118.8-103.9178.7174.900111.1
392D26.7Very low29.6Very low151 Ų151143.9 Ų143.981%0.80780%0.798SS**  trans-57.7161.8173.2-65.2-61.3000112.7
393V26.9Very low28.6Very low144 Ų144144.6 Ų144.687%0.87381%0.806SS**  -179.3128.6125.8154.10000110.4
394Q27.3Very low28.5Very low177 Ų177139.3 Ų139.383%0.82781%0.805SS**  trans-59.7153.9169.2-169.8174.1-0.500112.4
395V26.6Very low28.2Very low138 Ų138139.2 Ų139.284%0.83680%0.798SS**  trans160.9125.6138.31680000111.5
396D26.5Very low28.1Very low145 Ų145145.5 Ų145.578%0.77581%0.81SS**  trans-107.8146.9150.6-171.142000104.7
397P38.6Very low28Very low93 Ų93150.3 Ų150.360%0.60481%0.808SS**  cis-157.8168.849.840.7-15.9000121.2
398R26.7Very low27.8Very low230 Ų230156.1 Ų156.187%0.86882%0.816SS**  trans75.1138.4149.6-78.7171.8-177.5169.91.9122
399K26.9Very low26.9Very low199 Ų199157.4 Ų157.487%0.86582%0.816SS**  trans81.1116.4162.7-69.5-176.9176.3-1770116.5
400E27.7Very low26.9Very low188 Ų188156 Ų15688%0.87981%0.805SS**  -162.7147.5103-80.4-122140.600110.9
401S24.5Very low26.7Very low88 Ų88159.8 Ų159.862%0.61581%0.808SS**  trans-97.9177.8-177.941.80000111.3
402H28.4Very low26.6Very low171 Ų171154.2 Ų154.279%0.79279%0.791SS**  trans98.7104.9171.1-56-70000114
403S23.2Very low26.7Very low108 Ų108155.2 Ų155.276%0.75579%0.79SS**  91.5108.765.7165.40000111.8
404S25.3Very low26.5Very low128 Ų128154 Ų15490%0.89579%0.788SS**  trans-157.3127.4138.433.40000110
405S25.1Very low26.5Very low109 Ų109151.2 Ų151.276%0.76279%0.789SS**  trans-117.1128.3-176.9-175.70000105.5
406E25.8Very low26.3Very low199 Ų199151.2 Ų151.293%0.9378%0.781SS**  trans-135.7113.7162.9-74.5-165.8148.100109.4
407R27.9Very low26.3Very low232 Ų232153.4 Ų153.488%0.87579%0.787SS**  trans-91.2142.7160.1-74.1178.1174.4161.5-2.6107.5
408F23.4Very low25.7Very low214 Ų214158.4 Ų158.494%0.93979%0.793SS**  trans-149.9153.6142.7-119.4-85.9000111.4
409L26.4Very low25.7Very low139 Ų139152.5 Ų152.573%0.72879%0.794SS**  trans-90.5145.4-153-93.3150.2000115.9
410E26.3Very low25.5Very low148 Ų148150.9 Ų150.969%0.69279%0.787SS**  54.4141.9126.9-103.1-175.8-16400125.6
411Q24.1Very low25.4Very low160 Ų160149.9 Ų149.975%0.74878%0.782SS**  trans76.9135.2154.2-63.217124.800115.4
412S25.2Very low25.4Very low78 Ų78150.6 Ų150.655%0.54579%0.794SS.*  cis179.6164.240.7-147.60000113.2
413H27Very low25.2Very low171 Ų171149.7 Ų149.779%0.79280%0.795SS**  trans90.7105.3153.2-57.9-56.3000122.8
414S24.6Very low25.4Very low119 Ų119155.7 Ų155.783%0.83280%0.803SS**  trans-60139.114763.40000112.1
415S25.3Very low25.4Very low119 Ų119152.6 Ų152.683%0.83279%0.791SS**  trans-130.5134.4158.8179.40000109.3
416M23.8Very low25.4Very low137 Ų137158.9 Ų158.968%0.67580%0.798SS**  trans-99.6124-175-177.5-174.8-157.200107.5R418M416-R418 VanDerWaalsContact CE-NH2 3.33Å
417E26.3Very low25.4Very low192 Ų192154.3 Ų154.390%0.89779%0.788SS**  trans-124.4117.9159.3-82.8-170.1157.400109.6
418R26.6Very low25.3Very low197 Ų197148.4 Ų148.474%0.74378%0.781SS**  trans-85.2140.1165.2-68.4-176.2-163.7100.31.1108.5M416M416-R418 VanDerWaalsContact CE-NH2 3.33Å
419A25.5Very low25.4Very low106 Ų106145.2 Ų145.288%0.87677%0.774SS**  trans-136.7147.2148.600000109.2
420F23.8Very low25.3Very low166 Ų166149.3 Ų149.373%0.72878%0.781SS**  trans-88.9153.3-151.8-111.2-109.8000115.7
421E25.3Very low25.3Very low166 Ų166152 Ų15278%0.77679%0.791SS**  trans38.8129.5142.7-75.1176.117500122.9
422A23.9Very low25.5Very low104 Ų104150.8 Ų150.886%0.8679%0.794SS**  -169.7125.8110.300000111.8
423D25.2Very low25.6Very low152 Ų152150.6 Ų150.681%0.81380%0.804SS**  trans-84.8145175.6-159.34.1000110.4
424Y27.7Very low25.8Very low234 Ų234147.7 Ų147.792%0.91880%0.802SS**  trans-179.9116.6145.4-103.2-70.3000110.1
425G23.6Very low26.1Very low63 Ų63146.1 Ų146.165%0.64979%0.789SS**  trans-72.1162.1173.800000114.4
426R25.8Very low26.8Very low241 Ų241143.4 Ų143.491%0.90977%0.77SS**  trans-149.3114.6146.3-98.1-175.4-161.1-123.32.1109.5
427S25.8Very low27.5Very low103 Ų103143.9 Ų143.972%0.7277%0.766SS**  trans-52.9136157162.90000110.3
428C26.1Very low28.1Very low108 Ų108140.8 Ų140.873%0.7376%0.755SS**  trans-144.7101.6158.8-75.60000108.2
429D25.1Very low28.6Very low147 Ų147135 Ų13579%0.78674%0.738SS**  trans-58.4129.4165.3-72.5-52.6000111.1
430Y25.1Very low29.2Very low225 Ų225137.1 Ų137.188%0.88273%0.728SS**  trans-130.6127153.6-86.2-78.6000110.9V432Y430-V432 PolarHBondContact O-N 3.17Å
431K26.5Very low30.1Very low205 Ų205134.9 Ų134.989%0.89172%0.723SS**  trans-61.9122.2-179.1-74.1171.8172.9175.20112.1
432V27.3Very low30.8Very low134 Ų134133.7 Ų133.781%0.81272%0.721SS**  trans21.4104.4137.7-166.80000117Y430Y430-V432 PolarHBondContact O-N 3.17Å
433G28Very low31.2Very low73 Ų73136.6 Ų136.675%0.75371%0.71SS**  trans-110.2120.5148.300000108.7
434S29.5Very low31.8Very low110 Ų110140 Ų14077%0.76971%0.711SS**  trans16.3118.2168.8-51.40000119.4
435P31.5Very low32.3Very low86 Ų86135.9 Ų135.956%0.55871%0.705SS**  trans-65.1142.3176.2-14.127.3000112.6D439P435-D439 HydrophobicContact CB-CB 3.77Å
436S39.5Very low32.7Very low62 Ų62139.9 Ų139.943%0.43471%0.712SS.*  trans-69157.3173.978.70000110.7L438 D439S436-L438 PolarHBondContact O-N 3.2Å; S436-D439 PolarHBondContact N-OD2 3.04Å; S436-D439 WeakPolarHBondContact O-CB 3.38Å; S436-D439 PolarHBondContact O-N 2.88Å
437Y40.2Very low32.8Very low147 Ų147136 Ų13658%0.57670%0.702SS**Hα-helixtrans-53.1-27.2178.4-179.3-110.6000113.7D439 K440 L441Y437-D439 VanDerWaalsContact C-N 3.34Å; Y437-D439 PolarHBondContact O-N 3.19Å; Y437-K440 PolarHBondContact O-N 3.06Å; Y437-L441 HydrophobicContact CD1-CD1 4.47Å; Y437-L441 HydrophobicContact CE1-CD1 4.17Å
438L38.3Very low32.9Very low127 Ų127135.9 Ų135.967%0.66570%0.698SS**Hα-helixtrans-67.7-31.7174.9-66.6173.8000112.9S436 K440 L441S436-L438 PolarHBondContact O-N 3.2Å; L438-K440 VanDerWaalsContact C-N 3.26Å; L438-K440 PolarHBondContact O-N 2.78Å; L438-L441 PolarHBondContact O-N 3.09Å
439D37.2Very low33.2Very low75 Ų75138.4 Ų138.440%0.40170%0.699SS.*Hα-helixtrans-71.3-22.6176.6-68-46.4000111.7P435 S436 Y437 W443P435-D439 HydrophobicContact CB-CB 3.77Å; S436-D439 PolarHBondContact N-OD2 3.04Å; S436-D439 WeakPolarHBondContact O-CB 3.38Å; S436-D439 PolarHBondContact O-N 2.88Å; Y437-D439 VanDerWaalsContact C-N 3.34Å; Y437-D439 PolarHBondContact O-N 3.19Å; D439-W443 PolarHBondContact O-NE1 3.2Å
440K37.7Very low33.4Very low151 Ų151139.5 Ų139.566%0.65770%0.699SS**Hα-helixtrans-81.5-20.4179.4-68.7-177.6-177.8175.90113.5Y437 L438Y437-K440 PolarHBondContact O-N 3.06Å; L438-K440 VanDerWaalsContact C-N 3.26Å; L438-K440 PolarHBondContact O-N 2.78Å
441L42.6Very low33.4Very low119 Ų119138.6 Ų138.662%0.62370%0.696SS**Hα-helixtrans-81.2-19.5178.1-79.8157.8000113Y437 L438 W443Y437-L441 HydrophobicContact CD1-CD1 4.47Å; Y437-L441 HydrophobicContact CE1-CD1 4.17Å; L438-L441 PolarHBondContact O-N 3.09Å; L441-W443 VanDerWaalsContact C-N 3.29Å; L441-W443 PolarHBondContact O-N 2.81Å
442L40Very low33.7Very low142 Ų142133.7 Ų133.774%0.74369%0.687SS**THydrogen-bonded Turntrans-82.5-2.2177-71.9166.2000113.7
443W32.9Very low33.8Very low165 Ų165135.3 Ų135.363%0.62569%0.686SS**  trans-108.863.9177.6-66.176.8000111.9D439 L441D439-W443 PolarHBondContact O-NE1 3.2Å; L441-W443 VanDerWaalsContact C-N 3.29Å; L441-W443 PolarHBondContact O-N 2.81Å
444R37.3Very low33.8Very low222 Ų222136.8 Ų136.884%0.83868%0.683SS**SBendtrans-98.5118.9150.2-87.2-175.7152.6156.4-4.2107.3
445D38.6Very low33.9Very low148 Ų148141 Ų14179%0.79169%0.687SS**SBendtrans84.738.6170.6-50.6-31.9000119.7K447D445-K447 PolarHBondContact O-N 2.88Å
446N30.9Very low33.6Very low148 Ų148143.6 Ų143.679%0.79170%0.695SS**SBendtrans49.727.1153.2-107.53.4000117.6
447K28.3Very low33.3Very low159 Ų159146.4 Ų146.469%0.69170%0.704SS**SBendtrans-135135.5171.8-73.8-175.8178.9177.70110.5D445 H449D445-K447 PolarHBondContact O-N 2.88Å; K447-H449 PolarHBondContact O-N 2.86Å
448P27.6Very low32.9Very low100 Ų100145.9 Ų145.965%0.64971%0.711SS**  trans-71110.9172.928-30.4000109.2H450P448-H450 PolarHBondContact O-N 3.3Å; P448-H450 VanDerWaalsContact O-N 3.13Å
449H33Very low32.8Very low161 Ų161143.5 Ų143.575%0.74570%0.699SS**  trans-78.490.5165.9-76.6-65.9000108.8K447 Y451K447-H449 PolarHBondContact O-N 2.86Å; H449-Y451 PolarHBondContact O-N 2.76Å
450H29.6Very low32.9Very low171 Ų171144 Ų14479%0.79270%0.701SS**  trans-70.2104.5155.8-72.8-62.5000107.5P448P448-H450 PolarHBondContact O-N 3.3Å; P448-H450 VanDerWaalsContact O-N 3.13Å
451Y25.9Very low33Very low205 Ų205139.5 Ų139.580%0.80469%0.689SS**  trans-121.797.1165-125.4-90.6000108.8H449H449-Y451 PolarHBondContact O-N 2.76Å
452S32.2Very low32.8Very low102 Ų102139.2 Ų139.271%0.71368%0.684SS**  trans-99115.1155.244.30000106.2
453E28.5Very low32.8Very low168 Ų168137.8 Ų137.879%0.78567%0.669SS**  trans157.3172.3156.5-91.5176.6-158.500111.1
454P28.6Very low33Very low105 Ų105138.6 Ų138.668%0.68268%0.677SS**  -112.2157-73.925.9-5.9000110.9L456P454-L456 PolarHBondContact O-N 3.22Å; P454-L456 VanDerWaalsContact O-N 3.11Å
455K32.4Very low33Very low197 Ų197136.5 Ų136.586%0.85768%0.676SS**  trans-74.1101.9-176.4-66.8175.7179.9176.40111.6I457K455-I457 HydrophobicContact CB-CD1 4.48Å; K455-I457 HydrophobicContact CB-CG1 4.34Å
456L25.3Very low32.8Very low141 Ų141134 Ų13474%0.73868%0.676SS**  trans-97.6100.7157.2-94.8149.3000108.1P454P454-L456 PolarHBondContact O-N 3.22Å; P454-L456 VanDerWaalsContact O-N 3.11Å
457I32.3Very low33Very low122 Ų122130.8 Ų130.863%0.62667%0.67SS**  trans-94.9113.9177.9-61.3170.7000106.8K455K455-I457 HydrophobicContact CB-CD1 4.48Å; K455-I457 HydrophobicContact CB-CG1 4.34Å
458L31.1Very low33.2Very low135 Ų135126.7 Ų126.771%0.70767%0.673SS**  trans-94.193166.5-81.9162.8000107.9L460L458-L460 PolarHBondContact O-N 3.19Å
459D35.8Very low33.2Very low77 Ų77126.2 Ų126.241%0.41268%0.678SS.*  trans-81.6105.4168.6-175.4-9.2000109.3S461 H462D459-S461 VanDerWaalsContact C-N 3.28Å; D459-S461 PolarHBondContact O-N 2.88Å; D459-S461 WeakPolarHBondContact OD1-CB 3.22Å; D459-S461 PolarHBondContact OD1-N 2.96Å; D459-S461 PolarHBondContact OD1-OG 3.38Å; D459-S461 PolarHBondContact OD2-OG 3.16Å; D459-H462 IonicContact OD2-CD2 2.79Å; D459-H462 PolarHBondContact OD2-CD2 3.05Å; D459-H462 IonicContact OD2-NE2 2.88Å; D459-H462 PolarHBondContact OD2-NE2 3.36Å
460L40.4Very low33.3Very low85 Ų85124.2 Ų124.245%0.44568%0.679SS.*THydrogen-bonded Turntrans-84.12.1179.6-63.9169.1000112.8V259 L458 W463V259-L460 HydrophobicContact CG1-CD1 3.72Å; V259-L460 HydrophobicContact CG1-CD2 4.32Å; V259-L460 HydrophobicContact CG1-CG 4.49Å; L458-L460 PolarHBondContact O-N 3.19Å; L460-W463 VanDerWaalsContact O-CD1 3.27Å
461S40.2Very low33.5Very low58 Ų58122.3 Ų122.341%0.40668%0.682SS.*THydrogen-bonded Turntrans-80-23.5-175.772.20000113.8D459D459-S461 VanDerWaalsContact C-N 3.28Å; D459-S461 PolarHBondContact O-N 2.88Å; D459-S461 WeakPolarHBondContact OD1-CB 3.22Å; D459-S461 PolarHBondContact OD1-N 2.96Å; D459-S461 PolarHBondContact OD1-OG 3.38Å; D459-S461 PolarHBondContact OD2-OG 3.16Å
462H38.6Very low33.7Very low113 Ų113119.2 Ų119.252%0.52369%0.685SS.*SBendtrans-91.8-10.5-172.7-71.6-70.5000115.5D459 K464D459-H462 IonicContact OD2-CD2 2.79Å; D459-H462 PolarHBondContact OD2-CD2 3.05Å; D459-H462 IonicContact OD2-NE2 2.88Å; D459-H462 PolarHBondContact OD2-NE2 3.36Å; H462-K464 VanDerWaalsContact C-N 3.27Å; H462-K464 PolarHBondContact O-N 3.01Å
463W39.6Very low33.9Very low111 Ų111119 Ų11942%0.4269%0.688SS.*G310 helixtrans-70.5-22.2-172.689.6-91.2000114R258 L460 Q465 A466 A467R258-W463 HydrophobicContact CB-CH2 4.22Å; R258-W463 HydrophobicContact CB-CZ2 4.32Å; L460-W463 VanDerWaalsContact O-CD1 3.27Å; W463-Q465 PolarHBondContact O-N 3.11Å; W463-Q465 VanDerWaalsContact O-N 3.11Å; W463-A466 PolarHBondContact O-N 3.29Å; W463-A467 HydrophobicContact CZ3-CB 4.35Å
464K36.8Very low34.1Very low182 Ų182117.8 Ų117.879%0.79169%0.693SS**G310 helixtrans-67.7-12.2-175.5-151.8174.9-177176.30113.9H462H462-K464 VanDerWaalsContact C-N 3.27Å; H462-K464 PolarHBondContact O-N 3.01Å
465Q37.8Very low34.1Very low179 Ų179116.3 Ų116.384%0.83670%0.697SS**G310 helixtrans-89.4-11.9178.4-74-176.2-2.600114.3W463W463-Q465 PolarHBondContact O-N 3.11Å; W463-Q465 VanDerWaalsContact O-N 3.11Å
466A33.5Very low33.8Very low95 Ų95112.5 Ų112.579%0.78570%0.695SS**SBendtrans-97.8-10.7-173.800000115.1W463 G468W463-A466 PolarHBondContact O-N 3.29Å; A466-G468 PolarHBondContact O-N 2.88Å
467A34.7Very low34.1Very low80 Ų80114.6 Ų114.666%0.66170%0.703SS**  trans-103.845.8-170.400000113.9W463W463-A467 HydrophobicContact CZ3-CB 4.35Å
468G33.1Very low33.9Very low74 Ų74115.8 Ų115.876%0.76371%0.711SS**  trans-136.260.4-173.800000115.2A466A466-G468 PolarHBondContact O-N 2.88Å
469A28.7Very low33.9Very low90 Ų90115.8 Ų115.874%0.74472%0.717SS**  trans-160.6128156.100000111.3
470P33.5Very low33.9Very low119 Ų119116.1 Ų116.177%0.77374%0.739SS**PPolyproline II helixtrans-83.5141.716932.2-29000110.4
471P35.2Very low33.4Very low131 Ų131116.5 Ų116.585%0.85175%0.754SS**PPolyproline II helixtrans-81.5124.2175.630.8-29.1000110.6
472T29.3Very low33Very low140 Ų140125.2 Ų125.286%0.85978%0.778SS**PPolyproline II helixtrans-73.6127.8163.942.90000110
473A37.1Very low32.4Very low96 Ų96128.8 Ų128.879%0.79380%0.795SS**PPolyproline II helixtrans-78.9127.8177.400000112.1
474T31.3Very low32Very low143 Ų143130.8 Ų130.888%0.87781%0.814SS**  trans-167.5124.6149.542.50000111.9
475G28.9Very low31.8Very low75 Ų75130.4 Ų130.477%0.77382%0.815SS**  81.895.2126.600000122.4
476S27.4Very low31.5Very low117 Ų117128 Ų12882%0.81881%0.814SS**  trans44.9141.6135.679.10000125.4
477M29.7Very low31.4Very low184 Ų184127.4 Ų127.491%0.90681%0.81SS**  trans95.197.8147.3-85.4-176.416000120.3
478D29.7Very low31.8Very low147 Ų147126.4 Ų126.479%0.78680%0.798SS**  51.5113.7124.6-14513.9000120.2
479T29.5Very low31.8Very low136 Ų136128.2 Ų128.283%0.83479%0.79SS**  -177.3136.5123.329.80000109.7
480G36.6Very low32.1Very low84 Ų84130.5 Ų130.587%0.86678%0.783SS**  trans-65.3136.6-170.300000115.6
481A29.1Very low32.3Very low92 Ų92130 Ų13076%0.7677%0.774SS**  trans-148136.3154.400000107.7E483A481-E483 PolarHBondContact O-N 3.22Å
482R31.8Very low32.4Very low241 Ų241129.8 Ų129.891%0.90976%0.761SS**  trans-51.4122.5176-81.8171.2158.1171.4-8.7110.2D484R482-D484 PolarHBondContact O-N 3.26Å
483E27.7Very low32.7Very low188 Ų188126.8 Ų126.888%0.87974%0.739SS**  trans-78.7107163.9-70-178.7159.900108A481 E485A481-E483 PolarHBondContact O-N 3.22Å; E483-E485 PolarHBondContact O-N 3.11Å
484D30Very low32.8Very low154 Ų154124.7 Ų124.782%0.82472%0.722SS**  trans-75.3106.3156.9-79-38.2000106.9R482R482-D484 PolarHBondContact O-N 3.26Å
485E33.1Very low33.1Very low173 Ų173123.9 Ų123.981%0.80871%0.708SS**  trans-59.6135.3164.6-82-157.2148.900109.4E483 A487E483-E485 PolarHBondContact O-N 3.11Å; E485-A487 VanDerWaalsContact C-N 3.33Å; E485-A487 PolarHBondContact O-N 3.24Å
486P31.6Very low33.5Very low128 Ų128128.6 Ų128.683%0.83170%0.703SS**  trans-7396.6167.230-28.6000107.6S488P486-S488 PolarHBondContact O-N 3.48Å; P486-S488 VanDerWaalsContact O-N 3.13Å
487A32.1Very low33.9Very low84 Ų84126.1 Ų126.169%0.69468%0.682SS**  trans-48.5120.317000000109.5E485 L489E485-A487 VanDerWaalsContact C-N 3.33Å; E485-A487 PolarHBondContact O-N 3.24Å; A487-L489 PolarHBondContact O-N 2.79Å
488S42.3Very low34.4Very low59 Ų59125.5 Ų125.541%0.41368%0.675SS.*  trans-58.4105.3176.7170.60000109.8P486 F490 L491 E492P486-S488 PolarHBondContact O-N 3.48Å; P486-S488 VanDerWaalsContact O-N 3.13Å; S488-F490 PolarHBondContact O-N 3.28Å; S488-F490 PolarHBondContact OG-N 2.8Å; S488-L491 WeakPolarHBondContact O-CB 3.2Å; S488-L491 PolarHBondContact O-N 2.9Å; S488-L491 PolarHBondContact OG-N 3.48Å; S488-E492 PolarHBondContact O-N 3.49Å
489L32.5Very low34.7Very low112 Ų112122.5 Ų122.559%0.58667%0.665SS**Hα-helixtrans-49-28.7169-159100.3000111.4A487 I493A487-L489 PolarHBondContact O-N 2.79Å; L489-I493 HydrophobicContact CD2-CD1 4.06Å; L489-I493 HydrophobicContact CG-CD1 4.36Å; L489-I493 WeakPolarHBondContact O-CD1 3.34Å; L489-I493 WeakPolarHBondContact O-CG1 3.31Å; L489-I493 PolarHBondContact O-N 3.16Å; L489-I493 VanDerWaalsContact O-N 3.15Å
490F34.7Very low35Very low137 Ų137120.1 Ų120.160%0.60165%0.65SS**Hα-helixtrans-72.4-28.8176.5-70.7-85.4000113.8S488 A494S488-F490 PolarHBondContact O-N 3.28Å; S488-F490 PolarHBondContact OG-N 2.8Å; F490-A494 VanDerWaalsContact O-CB 3.31Å; F490-A494 WeakPolarHBondContact O-CB 3.25Å; F490-A494 PolarHBondContact O-N 2.8Å
491L38.8Very low35Very low110 Ų110123.8 Ų123.858%0.57665%0.645SS**Hα-helixtrans-73.7-38.6175.4-137.390.4000111.3S488 A494 Q495S488-L491 WeakPolarHBondContact O-CB 3.2Å; S488-L491 PolarHBondContact O-N 2.9Å; S488-L491 PolarHBondContact OG-N 3.48Å; L491-A494 PolarHBondContact O-N 3.35Å; L491-Q495 WeakPolarHBondContact O-CB 3.26Å; L491-Q495 WeakPolarHBondContact O-CG 3.29Å; L491-Q495 PolarHBondContact O-N 3.01Å
492E38.1Very low35.2Very low126 Ų126122.6 Ų122.659%0.58964%0.642SS**Hα-helixtrans-65.2-42.7174.4-81.4-172.6149.700111.7S488 Q495 W496S488-E492 PolarHBondContact O-N 3.49Å; E492-Q495 PolarHBondContact O-N 3.45Å; E492-W496 WeakPolarHBondContact O-CB 3.26Å; E492-W496 PolarHBondContact O-N 3.38Å
493I35.5Very low35.1Very low76 Ų76114.3 Ų114.339%0.3963%0.631SS.*Hα-helixtrans-65-40.9176.5-66.9165.4000110.9L489 Q495 W496 V497L489-I493 HydrophobicContact CD2-CD1 4.06Å; L489-I493 HydrophobicContact CG-CD1 4.36Å; L489-I493 WeakPolarHBondContact O-CD1 3.34Å; L489-I493 WeakPolarHBondContact O-CG1 3.31Å; L489-I493 PolarHBondContact O-N 3.16Å; L489-I493 VanDerWaalsContact O-N 3.15Å; I493-Q495 VanDerWaalsContact C-N 3.35Å; I493-Q495 PolarHBondContact O-N 2.74Å; I493-W496 PolarHBondContact O-N 2.92Å; I493-V497 WeakPolarHBondContact O-CG2 3.47Å; I493-V497 PolarHBondContact O-N 3.43Å
494A37.9Very low35.5Very low53 Ų53111.1 Ų111.144%0.43863%0.627SS.*Hα-helixtrans-67.2-32.9177.100000113.1F490 L491 K498F490-A494 VanDerWaalsContact O-CB 3.31Å; F490-A494 WeakPolarHBondContact O-CB 3.25Å; F490-A494 PolarHBondContact O-N 2.8Å; L491-A494 PolarHBondContact O-N 3.35Å; A494-K498 WeakPolarHBondContact O-CG 3.18Å; A494-K498 PolarHBondContact O-N 3.29Å
495Q37.9Very low35.5Very low126 Ų126112.8 Ų112.859%0.58963%0.63SS**Hα-helixtrans-74.1-36.8174.4-76.5178.9-5.200112.2L491 E492 I493 K498 S499L491-Q495 WeakPolarHBondContact O-CB 3.26Å; L491-Q495 WeakPolarHBondContact O-CG 3.29Å; L491-Q495 PolarHBondContact O-N 3.01Å; E492-Q495 PolarHBondContact O-N 3.45Å; I493-Q495 VanDerWaalsContact C-N 3.35Å; I493-Q495 PolarHBondContact O-N 2.74Å; Q495-K498 PolarHBondContact O-N 3.16Å; Q495-S499 PolarHBondContact O-N 2.71Å
496W37.2Very low35.4Very low174 Ų174113.1 Ų113.166%0.65963%0.631SS**Hα-helixtrans-67.9-36.5176.4-174.783.7000113.2E492 I493 K498 S499 T500E492-W496 WeakPolarHBondContact O-CB 3.26Å; E492-W496 PolarHBondContact O-N 3.38Å; I493-W496 PolarHBondContact O-N 2.92Å; W496-K498 VanDerWaalsContact C-N 3.31Å; W496-K498 PolarHBondContact O-N 2.85Å; W496-S499 PolarHBondContact O-N 3.45Å; W496-S499 PolarHBondContact O-OG 2.9Å; W496-T500 HydrophobicContact CZ2-CG2 4.35Å; W496-T500 PolarHBondContact O-N 2.93Å; W496-T500 PolarHBondContact O-OG1 3.05Å
497V36.6Very low35.2Very low64 Ų64113.2 Ų113.239%0.38863%0.629SS.*Hα-helixtrans-67.7-32.5173.4172.30000111.8I493 T500I493-V497 WeakPolarHBondContact O-CG2 3.47Å; I493-V497 PolarHBondContact O-N 3.43Å; V497-T500 PolarHBondContact O-OG1 3.02Å
498K39.2Very low35.1Very low172 Ų172114.7 Ų114.775%0.74863%0.634SS**Hα-helixtrans-73.7-33.7175.1-76.9-179.8178.8-178.90112.8A494 Q495 W496 T500A494-K498 WeakPolarHBondContact O-CG 3.18Å; A494-K498 PolarHBondContact O-N 3.29Å; Q495-K498 PolarHBondContact O-N 3.16Å; W496-K498 VanDerWaalsContact C-N 3.31Å; W496-K498 PolarHBondContact O-N 2.85Å; K498-T500 VanDerWaalsContact C-N 3.35Å
499S36.3Very low34.7Very low84 Ų84117.6 Ų117.659%0.58765%0.652SS**Hα-helixtrans-75.5-22.817969.50000113.4Q495 W496Q495-S499 PolarHBondContact O-N 2.71Å; W496-S499 PolarHBondContact O-N 3.45Å; W496-S499 PolarHBondContact O-OG 2.9Å
500T35Very low35Very low85 Ų85118 Ų11852%0.52166%0.661SS.*THydrogen-bonded Turntrans-88.8-6.4179.9430000114.6W496 V497 K498W496-T500 HydrophobicContact CZ2-CG2 4.35Å; W496-T500 PolarHBondContact O-N 2.93Å; W496-T500 PolarHBondContact O-OG1 3.05Å; V497-T500 PolarHBondContact O-OG1 3.02Å; K498-T500 VanDerWaalsContact C-N 3.35Å
501Q38Very low34.8Very low161 Ų161115.7 Ų115.775%0.75267%0.668SS**THydrogen-bonded Turntrans-104.45.9177.9-66.9-168.717.200114.8
502G32.8Very low34.2Very low68 Ų68118.6 Ų118.670%0.70168%0.684SS**  trans-94.299.3176.200000113.4
503G30.2Very low33.8Very low66 Ų66119.6 Ų119.668%0.6869%0.693SS**PPolyproline II helixtrans-88155.8161.400000111.5
504P36.2Very low34.4Very low122 Ų122121.2 Ų121.279%0.79271%0.709SS**PPolyproline II helixtrans-76.9142.2-153.330.5-34.6000114.6
505E30.6Very low33.9Very low189 Ų189121.9 Ų121.988%0.88372%0.72SS**PPolyproline II helixtrans-62.9132.1166.6-65.4-178.1148.500110.9
506H29.6Very low33.5Very low180 Ų180124.9 Ų124.983%0.83373%0.734SS**  trans-116.5121.8159-100.2-69.5000109.7
507T28Very low33.1Very low130 Ų130127.2 Ų127.280%0.79874%0.743SS**  trans-62.4135.617636.70000112.9
508S29.6Very low32.7Very low114 Ų114131.8 Ų131.880%0.79776%0.764SS**  trans-83.6155.5166.441.20000112.5
509P33.4Very low32.1Very low120 Ų120128.9 Ų128.978%0.77977%0.765SS**  trans-140178.7136.844.9-30.6000111.6
510P39.8Very low31.7Very low121 Ų121129.6 Ų129.679%0.78678%0.777SS**  -126170.9-99.527.4-3.8000116
511A30.2Very low31.5Very low89 Ų89131.3 Ų131.374%0.73679%0.792SS**  trans51.3119.8151.400000121.6
512D26.7Very low31.6Very low171 Ų171129.2 Ų129.291%0.91479%0.792SS**  -168.6137.2121.5-93.3-24.4000111
513D29.5Very low31.9Very low147 Ų147132.3 Ų132.379%0.78680%0.8SS**  trans-116.1174.7171.4-168.139.4000106.6
514P48.6Very low31.8Very low110 Ų110132.7 Ų132.771%0.71480%0.804SS**  cis-125.7172.9-21.613.910.9000112.7
515G26.4Very low31.5Very low66 Ų66138.6 Ų138.668%0.6881%0.81SS**  trans165.4120.3154.400000119.7
516H30.3Very low31.6Very low189 Ų189135.6 Ų135.688%0.87581%0.808SS**  trans90.5103.4145.2-72.2-76.3000122.5
517R27.3Very low31.7Very low224 Ų224131.2 Ų131.285%0.84580%0.802SS**  trans-11145.7139.9-62.1176.1176.3179.6-1.7118.5
518L28.6Very low32.4Very low159 Ų159130.8 Ų130.883%0.83280%0.802SS**  155.7111.7116.2-79.3166.4000109.4
519S26.3Very low32.5Very low111 Ų111132.4 Ų132.478%0.77681%0.806SS**  57.9107.291.9174.10000116.2
520A28Very low32.3Very low100 Ų100134.5 Ų134.583%0.82681%0.811SS**  trans-165.2135.7134.700000111.9
521S31Very low32.1Very low120 Ų120132.6 Ų132.684%0.83981%0.814SS**  trans-93.6176.4-178.4-63.50000112
522P41.6Very low31.9Very low118 Ų118132 Ų13277%0.76682%0.816SS**  trans-104-177.7-151.842.5-36.7000114.5
523P37.4Very low32.2Very low133 Ų133128.8 Ų128.886%0.86481%0.813SS**  trans-124.8155.514536.8-24.2000110.1
524G28.4Very low32.4Very low74 Ų74126.9 Ų126.976%0.76381%0.812SS**  cis164.2136800000106
525R30.2Very low31.9Very low245 Ų245127.8 Ų127.893%0.92582%0.817SS**  trans-69.9161.9174.3-90.9179.2172.3178.4-3.3111.6
526P33.8Very low32.5Very low127 Ų127133.6 Ų133.683%0.82583%0.827SS**  -130.5160.1125.133.9-21.5000113.2
527A30.3Very low33.1Very low87 Ų87131.2 Ų131.272%0.71981%0.814SS**  trans-122.1-174.9172.700000108.9
528P42.8Very low34.1Very low122 Ų122124.7 Ų124.779%0.79280%0.796SS**  -108163.8-8435.9-22.7000112.1
529V31.4Very low34.5Very low147 Ų147122 Ų12289%0.89178%0.782SS**  trans-138.5138.2169-174.60000110.9
530D30.4Very low35.2Very low164 Ų164122.1 Ų122.188%0.87777%0.774SS**  trans-54163.4-176.8-87.9-45.1000117.5
531G35Very low36.1Very low82 Ų82120.7 Ų120.785%0.84576%0.755SS**  trans-75.2164.6-172.700000117.6
532G27Very low36.9Very low76 Ų76120.9 Ų120.978%0.78474%0.741SS**  trans175.5117.1169.800000111.5
533A31.8Very low36.8Very low103 Ų103118.9 Ų118.985%0.85172%0.723SS**  trans35.4119.1159.300000120.6
534S34.8Very low36.9Very low108 Ų108116 Ų11676%0.75571%0.706SS**PPolyproline II helixtrans-58145.8160.450.30000112.2Q536S534-Q536 PolarHBondContact O-N 2.93Å
535P37.8Very low37.4Very low128 Ų128120.8 Ų120.883%0.83170%0.701SS**PPolyproline II helixtrans-70.6121.7175.329.6-31000109.6F537P535-F537 PolarHBondContact O-N 3.16Å
536Q37.5Very low37.8Very low188 Ų188111.1 Ų111.188%0.87967%0.674SS**PPolyproline II helixtrans-67.6126.8171.5-170.4169.6-5.600108.8S534 D538S534-Q536 PolarHBondContact O-N 2.93Å; Q536-D538 PolarHBondContact O-N 3.2Å
537F44.5Very low38Very low139 Ų139110.4 Ų110.461%0.6166%0.662SS**PPolyproline II helixtrans-68.9125.6176.9173.9-99.8000109.9P535 L539 F542P535-F537 PolarHBondContact O-N 3.16Å; F537-L539 HydrophobicContact CE1-CB 4.21Å; F537-L539 HydrophobicContact CE1-CD1 3.93Å; F537-F542 HydrophobicContact CE2-CB 4.16Å; F537-F542 HydrophobicContact CE2-CD2 4.32Å; F537-F542 HydrophobicContact CE2-CG 4.28Å; F537-F542 HydrophobicContact CZ-CB 3.78Å; F537-F542 HydrophobicContact CZ-CD1 4.26Å; F537-F542 HydrophobicContact CZ-CD2 4.29Å; F537-F542 AromaticContact CZ-CG 3.86Å; F537-F542 HydrophobicContact CZ-CG 3.86Å
538D46.6Very low38.4Very low88 Ų88114.5 Ų114.547%0.47166%0.664SS.*  trans-100.4103.4179.4-169.7-32.7000109.4Q536 D540 V541 F542Q536-D538 PolarHBondContact O-N 3.2Å; D538-D540 VanDerWaalsContact C-N 3.27Å; D538-D540 PolarHBondContact O-N 3.4Å; D538-D540 PolarHBondContact OD1-N 3.25Å; D538-D540 VanDerWaalsContact OD1-N 3.11Å; D538-V541 HydrophobicContact CB-CB 4.18Å; D538-V541 HydrophobicContact CB-CG2 4.01Å; D538-V541 PolarHBondContact O-N 2.67Å; D538-V541 PolarHBondContact OD1-N 3.42Å; D538-F542 PolarHBondContact O-N 2.9Å
539L39.1Very low38.3Very low101 Ų101115.9 Ų115.953%0.52966%0.663SS.*Hα-helixtrans-63.1-32.3-176.5-177.163.3000111.9F537 F542 I543F537-L539 HydrophobicContact CE1-CB 4.21Å; F537-L539 HydrophobicContact CE1-CD1 3.93Å; L539-F542 PolarHBondContact O-N 2.91Å; L539-I543 HydrophobicContact CD1-CD1 4.13Å; L539-I543 HydrophobicContact CD1-CG1 4.41Å; L539-I543 HydrophobicContact CG-CD1 3.87Å; L539-I543 VanDerWaalsContact O-CG1 3.29Å; L539-I543 WeakPolarHBondContact O-CG1 3.36Å; L539-I543 PolarHBondContact O-N 3.32Å
540D40.9Very low38.5Very low115 Ų115114 Ų11462%0.61566%0.656SS**Hα-helixtrans-74.6-32.8-178-67.5-34.7000111.6D538 S544D538-D540 VanDerWaalsContact C-N 3.27Å; D538-D540 PolarHBondContact O-N 3.4Å; D538-D540 PolarHBondContact OD1-N 3.25Å; D538-D540 VanDerWaalsContact OD1-N 3.11Å; D540-S544 VanDerWaalsContact O-CB 3.23Å; D540-S544 WeakPolarHBondContact O-CB 3.43Å; D540-S544 PolarHBondContact O-N 3.14Å; D540-S544 PolarHBondContact O-OG 2.97Å
541V46.4Very low38.6Very low69 Ų69111.2 Ų111.242%0.41865%0.645SS.*Hα-helixtrans-70.4-35.6173.5176.50000111.3D538 R545D538-V541 HydrophobicContact CB-CB 4.18Å; D538-V541 HydrophobicContact CB-CG2 4.01Å; D538-V541 PolarHBondContact O-N 2.67Å; D538-V541 PolarHBondContact OD1-N 3.42Å; V541-R545 WeakPolarHBondContact O-CG 3.44Å; V541-R545 PolarHBondContact O-N 3.26Å
542F46.4Very low38.8Very low124 Ų124116.1 Ų116.154%0.54464%0.643SS.*Hα-helixtrans-69.8-48.3176-178.1-99.4000111.7F537 D538 L539 S544 R545 A546F537-F542 HydrophobicContact CE2-CB 4.16Å; F537-F542 HydrophobicContact CE2-CD2 4.32Å; F537-F542 HydrophobicContact CE2-CG 4.28Å; F537-F542 HydrophobicContact CZ-CB 3.78Å; F537-F542 HydrophobicContact CZ-CD1 4.26Å; F537-F542 HydrophobicContact CZ-CD2 4.29Å; F537-F542 AromaticContact CZ-CG 3.86Å; F537-F542 HydrophobicContact CZ-CG 3.86Å; D538-F542 PolarHBondContact O-N 2.9Å; L539-F542 PolarHBondContact O-N 2.91Å; F542-S544 VanDerWaalsContact C-N 3.34Å; F542-S544 PolarHBondContact O-N 3.46Å; F542-R545 PolarHBondContact O-N 2.96Å; F542-R545 VanDerWaalsContact O-N 3.16Å; F542-A546 PolarHBondContact O-N 2.84Å
543I40.8Very low39.1Very low76 Ų76119 Ų11939%0.3965%0.647SS.*Hα-helixtrans-61.2-42.2177.4-67.9169.5000110.8L539 R545 A546 L547L539-I543 HydrophobicContact CD1-CD1 4.13Å; L539-I543 HydrophobicContact CD1-CG1 4.41Å; L539-I543 HydrophobicContact CG-CD1 3.87Å; L539-I543 VanDerWaalsContact O-CG1 3.29Å; L539-I543 WeakPolarHBondContact O-CG1 3.36Å; L539-I543 PolarHBondContact O-N 3.32Å; I543-R545 VanDerWaalsContact C-N 3.28Å; I543-R545 PolarHBondContact O-N 3.44Å; I543-A546 PolarHBondContact O-N 3.3Å; I543-L547 HydrophobicContact CG2-CD1 3.72Å; I543-L547 HydrophobicContact CG2-CG 4.28Å; I543-L547 WeakPolarHBondContact O-CB 3.47Å; I543-L547 WeakPolarHBondContact O-CG 3.43Å; I543-L547 PolarHBondContact O-N 3.19Å
544S39.8Very low39.5Very low72 Ų72122.5 Ų122.550%0.50365%0.646SS.*Hα-helixtrans-63.8-30.3177.6-68.70000113.7D540 F542 K548D540-S544 VanDerWaalsContact O-CB 3.23Å; D540-S544 WeakPolarHBondContact O-CB 3.43Å; D540-S544 PolarHBondContact O-N 3.14Å; D540-S544 PolarHBondContact O-OG 2.97Å; F542-S544 VanDerWaalsContact C-N 3.34Å; F542-S544 PolarHBondContact O-N 3.46Å; S544-K548 WeakPolarHBondContact O-CB 3.38Å; S544-K548 PolarHBondContact O-N 3.32Å
545R38.9Very low39.8Very low175 Ų175125 Ų12566%0.6665%0.651SS**Hα-helixtrans-80.4-37.4176-77.3178.3176.8-179.21.2112.1V541 F542 I543 L549V541-R545 WeakPolarHBondContact O-CG 3.44Å; V541-R545 PolarHBondContact O-N 3.26Å; F542-R545 PolarHBondContact O-N 2.96Å; F542-R545 VanDerWaalsContact O-N 3.16Å; I543-R545 VanDerWaalsContact C-N 3.28Å; I543-R545 PolarHBondContact O-N 3.44Å; R545-L549 WeakPolarHBondContact O-CD1 3.48Å; R545-L549 WeakPolarHBondContact O-CG 3.39Å; R545-L549 PolarHBondContact O-N 3.22Å
546A37.3Very low39.7Very low43 Ų43126.8 Ų126.836%0.35565%0.653SS.*Hα-helixtrans-63.9-46.8174.800000111.3F542 I543 K548 L549 C550F542-A546 PolarHBondContact O-N 2.84Å; I543-A546 PolarHBondContact O-N 3.3Å; A546-K548 PolarHBondContact O-N 2.86Å; A546-L549 PolarHBondContact O-N 3.42Å; A546-L549 VanDerWaalsContact O-N 3.14Å; A546-C550 PolarHBondContact O-N 2.98Å; A546-C550 PolarHBondContact O-SG 3.13Å
547L39.2Very low39.7Very low112 Ų112123.6 Ų123.659%0.58665%0.648SS**Hα-helixtrans-65.2-36.8178.8-69.4172000112.9I543 L549 C550I543-L547 HydrophobicContact CG2-CD1 3.72Å; I543-L547 HydrophobicContact CG2-CG 4.28Å; I543-L547 WeakPolarHBondContact O-CB 3.47Å; I543-L547 WeakPolarHBondContact O-CG 3.43Å; I543-L547 PolarHBondContact O-N 3.19Å; L547-L549 PolarHBondContact O-N 3.23Å; L547-C550 PolarHBondContact O-N 3.41Å
548K39.1Very low39.4Very low172 Ų172124.2 Ų124.275%0.74866%0.658SS**Hα-helixtrans-66.5-20.7174.8-92.7179.5174.81740114.3S544 A546S544-K548 WeakPolarHBondContact O-CB 3.38Å; S544-K548 PolarHBondContact O-N 3.32Å; A546-K548 PolarHBondContact O-N 2.86Å
549L39.5Very low39Very low151 Ų151127.2 Ų127.279%0.79167%0.674SS**Hα-helixtrans-94.4-18.4179-69.8167.9000112.5R545 A546 L547R545-L549 WeakPolarHBondContact O-CD1 3.48Å; R545-L549 WeakPolarHBondContact O-CG 3.39Å; R545-L549 PolarHBondContact O-N 3.22Å; A546-L549 PolarHBondContact O-N 3.42Å; A546-L549 VanDerWaalsContact O-N 3.14Å; L547-L549 PolarHBondContact O-N 3.23Å
550C35.1Very low38.7Very low109 Ų109132 Ų13274%0.73669%0.691SS**Hα-helixtrans-87.5-12.8178.2-66.90000114A546 L547A546-C550 PolarHBondContact O-N 2.98Å; A546-C550 PolarHBondContact O-SG 3.13Å; L547-C550 PolarHBondContact O-N 3.41Å
551T34Very low38.1Very low104 Ų104135.5 Ų135.564%0.63871%0.708SS**  trans-92.6113.9175.650.70000111.2
552K39.2Very low37.5Very low186 Ų186135.1 Ų135.181%0.80972%0.719SS**  trans-69.7153.8164.7-70.5-179.4-178.7174.70110E554K552-E554 PolarHBondContact O-N 3.5Å
553P32.6Very low36.9Very low135 Ų135137 Ų13788%0.87774%0.735SS**THydrogen-bonded Turntrans-72.311.9-166.6-14.729.9000116.8
554E39.6Very low36.5Very low178 Ų178141.9 Ų141.983%0.83276%0.76SS**THydrogen-bonded Turntrans-112.42.7-164.9-62.3-158.5178.200116.2K552K552-E554 PolarHBondContact O-N 3.5Å
555D41.5Very low36.2Very low160 Ų160146.9 Ų146.986%0.85678%0.781SS**  trans-129.978.7176.1-73.5-49.1000112.2
556L34.8Very low35.7Very low165 Ų165142.3 Ų142.386%0.86479%0.789SS**  trans-145.9127.6153.6-95.3167000109
557P37.7Very low35.4Very low121 Ų121144.9 Ų144.979%0.78681%0.811SS**  trans-72.8134.317128.9-30000110.1N559P557-N559 PolarHBondContact O-N 3.23Å; P557-N559 VanDerWaalsContact O-N 3.12Å
558D39.9Very low34.9Very low153 Ų153145.6 Ų145.682%0.81882%0.823SS**  trans-53113.2171.8-81.1-40.8000111.1
559N36.2Very low34.5Very low151 Ų151144.7 Ų144.781%0.80783%0.825SS**  171.6141120.2-95.9-51000114.6P557P557-N559 PolarHBondContact O-N 3.23Å; P557-N559 VanDerWaalsContact O-N 3.12Å
560K33Very low34.1Very low201 Ų201143.3 Ų143.387%0.87483%0.825SS**  trans84.974.2163.5-62.5-178.7-177.8-1750117.5
561L29.1Very low33.8Very low188 Ų188145.8 Ų145.898%0.98483%0.826SS**  trans-95.6111.3144.3-164.677.8000107.8
562G34.1Very low33.8Very low62 Ų62149.2 Ų149.264%0.63983%0.834SS**  trans-173.579.7179.400000109.2
563D34.2Very low34.1Very low163 Ų163145.8 Ų145.887%0.87283%0.831SS**  trans146109.2151.7-76.3-19.1000108.9
564L31.5Very low34Very low178 Ų178142.5 Ų142.593%0.93282%0.822SS**  trans170.775.4143.5-88.2164.5000107.9
565N32.8Very low33.6Very low177 Ų177142.1 Ų142.195%0.94783%0.825SS**  trans-132.7112.5155.1-104.2-11.2000106.2
566G29.3Very low33Very low80 Ų80141.6 Ų141.683%0.82582%0.822SS**  trans166.493175.300000113.4
567A31.4Very low32.7Very low97 Ų97139 Ų13980%0.80281%0.813SS**  trans-56.5150.3166.900000112.4
568C27.6Very low32.2Very low127 Ų127141.2 Ų141.286%0.85881%0.812SS**  trans-174.8123.9130.3-92.20000110.5
569I32.2Very low31.9Very low152 Ų152140.2 Ų140.278%0.77981%0.812SS**  trans-67.3147.4160.3-61.9164.3000107.8
570P29.8Very low31.5Very low123 Ų123141.1 Ų141.180%0.79981%0.812SS**  -136.5146.8123.623.7-4.8000114.4
571E29.4Very low31.3Very low160 Ų160136.1 Ų136.175%0.74881%0.808SS**  trans-65.2137.8170.9-54.4171.413700111.8
572H33.6Very low31.3Very low176 Ų176136.4 Ų136.482%0.81580%0.801SS**  168.2159110.1-100.8-50.2000112.9
573P46.7Very low31Very low115 Ų115137.7 Ų137.775%0.74780%0.801SS**  trans-103.7166-155.941-38.1000114.2
574G30Very low30.8Very low66 Ų66138.6 Ų138.668%0.6880%0.797SS**  trans109.5104.4158.100000113.4
575D30.1Very low30.8Very low169 Ų169138.1 Ų138.190%0.90479%0.79SS**  -165.3149.9114.3-99.4-26.5000112.7
576L29.3Very low30.8Very low149 Ų149140.7 Ų140.778%0.7879%0.786SS**  trans-65155.3-175.6-95.3129.9000114.2
577V28.6Very low31.3Very low111 Ų111152.2 Ų152.267%0.67381%0.805SS**  trans77.3130.1148.2176.70000113.4
578Q28.5Very low31.3Very low167 Ų167155 Ų15578%0.7881%0.805SS**  cis-163.3144.138.3-142.8147.428.800109.3E580Q578-E580 PolarHBondContact O-N 3.24Å
579T32Very low31.5Very low133 Ų133156.4 Ų156.482%0.81680%0.803SS**  trans-55.8126.4158.937.60000111.5
580E28.3Very low31.5Very low170 Ų170156.7 Ų156.779%0.79480%0.804SS**  trans-134.6114146.9-77.5-163.7159.700110Q578Q578-E580 PolarHBondContact O-N 3.24Å
581A29.7Very low31.6Very low96 Ų96158.6 Ų158.679%0.79380%0.804SS**  trans-71132.3161.700000108.4
582F27.8Very low31.8Very low193 Ų193158.6 Ų158.685%0.84681%0.808SS**  trans-123.4118.8155.3-109.3-88.5000110.5
583S29.3Very low31.6Very low90 Ų90157.4 Ų157.463%0.62981%0.807SS**  trans-83.7151.7172.8174.30000109.9
584K29.8Very low30.6Very low182 Ų182160.4 Ų160.479%0.79181%0.811SS**  trans75.7140.9162.1-78.4169.6178.6-177.40115.3
585E31.7Very low30.6Very low168 Ų168167.7 Ų167.779%0.78582%0.822SS**  cis-159.3147.346.7-138.2151.2-13600112.5
586R32.3Very low30.6Very low230 Ų230167.6 Ų167.687%0.86882%0.815SS**  trans-53.2140.4162.1-79.8174.6171.6170.1-4.4110.1
587W40.4Very low30.8Very low322 Ų322169.3 Ų169.3100%1.2282%0.818SS**  -143.60120.2-88.983000108.3

Retrieved 587 of 587 residues in 1856.5 ms (Link to these results)

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