A0A3Q0KF91_SCHMA Loading...

Protein odr-4 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KF91, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 556 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
1M85.6Confident93.2Very high167 Ų16739.7 Ų39.782%0.82323%0.228SC*.  0135.30-175.1-179.4-74.100108.4A3 E130 R158M1-A3 PolarHBondContact O-N 2.85Å; M1-E130 VanDerWaalsContact CA-OE2 3.29Å; M1-E130 WeakPolarHBondContact CA-OE2 3.16Å; M1-R158 PolarHBondContact SD-NH1 2.75Å
2I91.9Very high93.2Very high2 Ų236.8 Ų36.81%0.0121%0.212CC..  trans-78.3116.2177.1-37-161000109E4 V5 E35 E130 L132 R158 V160I2-E4 WeakPolarHBondContact CG2-O 3.38Å; I2-V5 HydrophobicContact CG2-CG2 4.39Å; I2-E35 HydrophobicContact CD1-CB 4.28Å; I2-E35 HydrophobicContact CD1-CG 4.48Å; I2-E35 HydrophobicContact CG2-CB 3.68Å; I2-E130 HydrophobicContact CD1-CB 4.08Å; I2-E130 HydrophobicContact CG1-CB 4.05Å; I2-E130 WeakPolarHBondContact CG1-OE2 3.23Å; I2-E130 PolarHBondContact N-OE2 3.18Å; I2-L132 HydrophobicContact CD1-CD1 4.18Å; I2-L132 HydrophobicContact CD1-CD2 3.78Å; I2-L132 HydrophobicContact CD1-CG 3.95Å; I2-R158 PolarHBondContact O-NH2 3.13Å; I2-V160 HydrophobicContact CG2-CG1 4.12Å
3A93.2Very high93Very high58 Ų5841.6 Ų41.648%0.47924%0.237SC..  trans-89.3-39.4178.800000111.8M1 S33 V160M1-A3 PolarHBondContact O-N 2.85Å; A3-S33 PolarHBondContact N-O 3.11Å; A3-V160 WeakPolarHBondContact O-CG1 3.5Å
4E95.7Very high92.8Very high25 Ų2540.4 Ų40.412%0.11723%0.227CC..EExtended strand (participates in β ladder)trans-145.9156-177.766-168138.800111.3I2 Q34 E35 E161 K163I2-E4 WeakPolarHBondContact CG2-O 3.38Å; E4-Q34 HydrophobicContact CG-CB 3.93Å; E4-Q34 HydrophobicContact CG-CG 3.58Å; E4-Q34 WeakPolarHBondContact O-CA 3.34Å; E4-Q34 VanDerWaalsContact OE1-CG 3.25Å; E4-Q34 WeakPolarHBondContact OE1-CG 3.34Å; E4-Q34 PolarHBondContact OE1-NE2 3.1Å; E4-E35 PolarHBondContact O-N 2.8Å; E4-E161 CarbonylContact C-O 3.46Å; E4-E161 WeakPolarHBondContact CA-O 3.48Å; E4-E161 HydrophobicContact CB-CB 4.18Å; E4-K163 VanDerWaalsContact OE2-CD 3.31Å; E4-K163 WeakPolarHBondContact OE2-CD 3.3Å; E4-K163 IonicContact OE2-NZ 2.71Å; E4-K163 PolarHBondContact OE2-NZ 2.75Å
5V97.4Very high92.7Very high0 Ų037.9 Ų37.90%021%0.212CC..EExtended strand (participates in β ladder)trans-116.6135.9175.3177.80000109.2I2 F7 E35 L37 L132 C145 V160 E161 K163I2-V5 HydrophobicContact CG2-CG2 4.39Å; V5-F7 HydrophobicContact CG1-CD1 4.2Å; V5-E35 CarbonylContact C-O 3.59Å; V5-E35 VanDerWaalsContact CA-O 3.31Å; V5-E35 WeakPolarHBondContact CA-O 3.17Å; V5-E35 HydrophobicContact CG2-CB 4.38Å; V5-L37 HydrophobicContact CG1-CD1 3.41Å; V5-L37 VanDerWaalsContact CG1-CD1 3.41Å; V5-L37 HydrophobicContact CG1-CD2 3.82Å; V5-L37 HydrophobicContact CG1-CG 3.45Å; V5-L37 VanDerWaalsContact CG1-CG 3.45Å; V5-L132 HydrophobicContact CG2-CD1 3.63Å; V5-L132 HydrophobicContact CG2-CD2 4.37Å; V5-C145 HydrophobicContact CG2-CB 4.43Å; V5-V160 HydrophobicContact CG2-CB 4.39Å; V5-V160 HydrophobicContact CG2-CG1 3.75Å; V5-E161 PolarHBondContact N-O 3.42Å; V5-K163 PolarHBondContact O-N 2.85Å
6L97Very high92.5Very high1 Ų137.9 Ų37.91%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-119.1132.7179.9-66.7174.1000110.6Q34 E35 C36 L37 K163 R165 F167L6-Q34 HydrophobicContact CD1-CB 4.04Å; L6-Q34 VanDerWaalsContact CD1-CD 3.49Å; L6-Q34 HydrophobicContact CD1-CG 4.31Å; L6-E35 PolarHBondContact N-O 3.37Å; L6-C36 CarbonylContact O-C 3.53Å; L6-C36 WeakPolarHBondContact O-CA 2.97Å; L6-L37 PolarHBondContact O-N 2.91Å; L6-K163 WeakPolarHBondContact CA-O 3.34Å; L6-K163 HydrophobicContact CD2-CB 3.53Å; L6-K163 HydrophobicContact CD2-CD 4.44Å; L6-R165 HydrophobicContact CD2-CG 3.92Å; L6-R165 VanDerWaalsContact CD2-NE 3.26Å; L6-F167 HydrophobicContact CB-CD1 4.22Å
7F96.3Very high92.2Very high0 Ų040.1 Ų40.10%023%0.23CC..EExtended strand (participates in β ladder)trans-147158.1166.852.5-94.1000111.5V5 F11 A12 L37 L134 F143 V162 K163 I164 R165V5-F7 HydrophobicContact CG1-CD1 4.2Å; F7-F11 HydrophobicContact CB-CB 4.06Å; F7-F11 HydrophobicContact CB-CD1 3.87Å; F7-F11 HydrophobicContact CB-CD2 4.31Å; F7-F11 HydrophobicContact CB-CE1 4.4Å; F7-F11 HydrophobicContact CB-CG 3.85Å; F7-F11 HydrophobicContact CD1-CD1 4.48Å; F7-F11 HydrophobicContact CD2-CB 4.22Å; F7-F11 AromaticContact CD2-CD1 3.6Å; F7-F11 HydrophobicContact CD2-CD1 3.6Å; F7-F11 HydrophobicContact CD2-CE1 4.33Å; F7-F11 HydrophobicContact CD2-CG 4.19Å; F7-F11 HydrophobicContact CE2-CD1 4.2Å; F7-F11 AromaticContact CG-CD1 3.76Å; F7-F11 HydrophobicContact CG-CD1 3.76Å; F7-F11 HydrophobicContact CG-CE1 4.2Å; F7-F11 HydrophobicContact CG-CG 4.24Å; F7-A12 HydrophobicContact CD2-CB 4.1Å; F7-A12 HydrophobicContact CE2-CB 3.73Å; F7-L37 HydrophobicContact CB-CB 4.14Å; F7-L37 HydrophobicContact CD1-CD1 3.94Å; F7-L37 HydrophobicContact CD1-CG 4.46Å; F7-L134 HydrophobicContact CD1-CD2 4.45Å; F7-L134 HydrophobicContact CE1-CD1 4.02Å; F7-L134 HydrophobicContact CE1-CD2 3.98Å; F7-L134 HydrophobicContact CZ-CD1 4.44Å; F7-L134 HydrophobicContact CZ-CD2 4.36Å; F7-F143 HydrophobicContact CE2-CD1 4.45Å; F7-F143 HydrophobicContact CE2-CD2 4.42Å; F7-F143 HydrophobicContact CE2-CE1 4.33Å; F7-F143 HydrophobicContact CE2-CE2 4.29Å; F7-F143 HydrophobicContact CE2-CG 4.49Å; F7-F143 HydrophobicContact CE2-CZ 4.24Å; F7-F143 HydrophobicContact CZ-CB 4.29Å; F7-F143 AromaticContact CZ-CD1 3.91Å; F7-F143 HydrophobicContact CZ-CD1 3.91Å; F7-F143 HydrophobicContact CZ-CD2 4.11Å; F7-F143 HydrophobicContact CZ-CE1 4.23Å; F7-F143 HydrophobicContact CZ-CE2 4.41Å; F7-F143 AromaticContact CZ-CG 3.84Å; F7-F143 HydrophobicContact CZ-CG 3.84Å; F7-F143 HydrophobicContact CZ-CZ 4.46Å; F7-V162 HydrophobicContact CD1-CG1 4.42Å; F7-V162 HydrophobicContact CE1-CG1 3.36Å; F7-V162 HydrophobicContact CZ-CG1 3.55Å; F7-K163 PolarHBondContact N-O 2.89Å; F7-I164 HydrophobicContact CD2-CG1 4.21Å; F7-I164 HydrophobicContact CD2-CG2 4.19Å; F7-I164 HydrophobicContact CE2-CB 4.43Å; F7-I164 HydrophobicContact CE2-CD1 3.79Å; F7-I164 HydrophobicContact CE2-CG1 3.58Å; F7-I164 HydrophobicContact CE2-CG2 4.23Å; F7-I164 HydrophobicContact CZ-CD1 4.18Å; F7-I164 HydrophobicContact CZ-CG1 3.89Å; F7-I164 CarbonylContact O-C 3.54Å; F7-I164 VanDerWaalsContact O-CA 3.27Å; F7-I164 WeakPolarHBondContact O-CA 3.41Å; F7-R165 PolarHBondContact O-N 3.31Å
8D93.3Very high92Very high30 Ų3038.8 Ų38.816%0.1622%0.223CC..  trans-79.1162.3-178.4-71.5-4.5000111.6S10 F11 A12 R165 P166 F167D8-S10 VanDerWaalsContact C-N 3.26Å; D8-S10 PolarHBondContact O-N 3.13Å; D8-F11 WeakPolarHBondContact O-CB 3.37Å; D8-F11 PolarHBondContact O-N 3.39Å; D8-F11 VanDerWaalsContact O-N 3.09Å; D8-A12 PolarHBondContact O-N 2.79Å; D8-A12 VanDerWaalsContact O-N 3.11Å; D8-R165 VanDerWaalsContact OD1-O 3.14Å; D8-P166 WeakPolarHBondContact OD1-CA 3.41Å; D8-F167 WeakPolarHBondContact OD1-CD1 3.46Å; D8-F167 WeakPolarHBondContact OD1-CE1 3.08Å; D8-F167 PolarHBondContact OD1-N 3.46Å
9N92.4Very high91.7Very high94 Ų9443.3 Ų43.350%0.50325%0.246SC..Hα-helixtrans-58-38.1175.8-70.7-45.4000112.2F11 A12 D13 I164N9-F11 VanDerWaalsContact C-N 3.26Å; N9-F11 PolarHBondContact O-N 3.15Å; N9-A12 CarbonylContact O-C 3.59Å; N9-A12 WeakPolarHBondContact O-CA 3.31Å; N9-A12 WeakPolarHBondContact O-CB 3.45Å; N9-A12 PolarHBondContact O-N 3.21Å; N9-D13 WeakPolarHBondContact O-CB 3.33Å; N9-D13 PolarHBondContact O-N 2.86Å; N9-I164 VanDerWaalsContact OD1-CG2 3.23Å; N9-I164 WeakPolarHBondContact OD1-CG2 3.46Å
10S89.8Confident91.6Very high58 Ų5848.6 Ų48.641%0.40627%0.269SS..Hα-helixtrans-61.9-33.7177.559.50000112.9D8 R14D8-S10 VanDerWaalsContact C-N 3.26Å; D8-S10 PolarHBondContact O-N 3.13Å; S10-R14 WeakPolarHBondContact O-CG 3.33Å; S10-R14 PolarHBondContact O-N 2.65Å; S10-R14 PolarHBondContact O-NE 2.88Å
11F92.8Very high91.6Very high2 Ų247.5 Ų47.51%0.00926%0.261CS..Hα-helixtrans-67.4-45.8172.1-175.7-69000110.4F7 D8 N9 R14 L15 I26 L37 P40 L134F7-F11 HydrophobicContact CB-CB 4.06Å; F7-F11 HydrophobicContact CB-CD1 3.87Å; F7-F11 HydrophobicContact CB-CD2 4.31Å; F7-F11 HydrophobicContact CB-CE1 4.4Å; F7-F11 HydrophobicContact CB-CG 3.85Å; F7-F11 HydrophobicContact CD1-CD1 4.48Å; F7-F11 HydrophobicContact CD2-CB 4.22Å; F7-F11 AromaticContact CD2-CD1 3.6Å; F7-F11 HydrophobicContact CD2-CD1 3.6Å; F7-F11 HydrophobicContact CD2-CE1 4.33Å; F7-F11 HydrophobicContact CD2-CG 4.19Å; F7-F11 HydrophobicContact CE2-CD1 4.2Å; F7-F11 AromaticContact CG-CD1 3.76Å; F7-F11 HydrophobicContact CG-CD1 3.76Å; F7-F11 HydrophobicContact CG-CE1 4.2Å; F7-F11 HydrophobicContact CG-CG 4.24Å; D8-F11 WeakPolarHBondContact O-CB 3.37Å; D8-F11 PolarHBondContact O-N 3.39Å; D8-F11 VanDerWaalsContact O-N 3.09Å; N9-F11 VanDerWaalsContact C-N 3.26Å; N9-F11 PolarHBondContact O-N 3.15Å; F11-R14 PolarHBondContact O-N 2.71Å; F11-L15 HydrophobicContact CD1-CD1 4.04Å; F11-L15 HydrophobicContact CD1-CG 4.36Å; F11-L15 HydrophobicContact CE1-CD1 3.44Å; F11-L15 VanDerWaalsContact CE1-CD1 3.44Å; F11-L15 HydrophobicContact CE1-CG 4.08Å; F11-L15 HydrophobicContact CZ-CD1 4.32Å; F11-L15 PolarHBondContact O-N 2.98Å; F11-I26 HydrophobicContact CZ-CG2 4.42Å; F11-L37 HydrophobicContact CD2-CB 4.45Å; F11-L37 HydrophobicContact CE1-CD1 4.46Å; F11-L37 HydrophobicContact CE2-CB 3.83Å; F11-L37 HydrophobicContact CZ-CB 4.04Å; F11-L37 HydrophobicContact CZ-CD1 4.12Å; F11-P40 HydrophobicContact CD1-CG 4.48Å; F11-P40 VanDerWaalsContact CD2-CD 3.43Å; F11-P40 HydrophobicContact CD2-CG 3.94Å; F11-P40 HydrophobicContact CE1-CB 4.48Å; F11-P40 HydrophobicContact CE1-CG 4.23Å; F11-P40 HydrophobicContact CE2-CB 3.92Å; F11-P40 HydrophobicContact CE2-CG 3.64Å; F11-P40 VanDerWaalsContact CE2-N 3.35Å; F11-P40 HydrophobicContact CG-CG 4.32Å; F11-P40 HydrophobicContact CZ-CB 3.78Å; F11-P40 HydrophobicContact CZ-CG 3.78Å; F11-L134 HydrophobicContact CE1-CD2 3.63Å; F11-L134 HydrophobicContact CZ-CD2 4.18Å
12A93.2Very high91.9Very high4 Ų443 Ų433%0.03324%0.235CC..Hα-helixtrans-60.4-48.9178.900000111.9F7 D8 N9 R14 L15 I16 F143 I164F7-A12 HydrophobicContact CD2-CB 4.1Å; F7-A12 HydrophobicContact CE2-CB 3.73Å; D8-A12 PolarHBondContact O-N 2.79Å; D8-A12 VanDerWaalsContact O-N 3.11Å; N9-A12 CarbonylContact O-C 3.59Å; N9-A12 WeakPolarHBondContact O-CA 3.31Å; N9-A12 WeakPolarHBondContact O-CB 3.45Å; N9-A12 PolarHBondContact O-N 3.21Å; A12-R14 VanDerWaalsContact C-N 3.32Å; A12-R14 PolarHBondContact O-N 2.81Å; A12-L15 PolarHBondContact O-N 2.92Å; A12-L15 VanDerWaalsContact O-N 3.15Å; A12-I16 WeakPolarHBondContact O-CB 3.4Å; A12-I16 PolarHBondContact O-N 3.18Å; A12-F143 HydrophobicContact CB-CE2 3.97Å; A12-F143 HydrophobicContact CB-CZ 3.77Å; A12-I164 HydrophobicContact CB-CD1 4.02Å; A12-I164 HydrophobicContact CB-CG2 3.99Å
13D90.8Very high92.1Very high100 Ų10043.2 Ų43.254%0.53524%0.236SC..Hα-helixtrans-59.4-42.8-177.9-66.7-25.7000111.1N9 L15 I16 S17N9-D13 WeakPolarHBondContact O-CB 3.33Å; N9-D13 PolarHBondContact O-N 2.86Å; D13-L15 PolarHBondContact O-N 3.14Å; D13-I16 PolarHBondContact O-N 2.65Å; D13-S17 WeakPolarHBondContact O-CB 3.2Å; D13-S17 PolarHBondContact O-N 3.14Å; D13-S17 PolarHBondContact O-OG 3.4Å
14R89.6Confident92.1Very high25 Ų2540.4 Ų40.49%0.09421%0.214CC..Hα-helixtrans-60.2-39.1175.6-82.1-171.4-61.5-1105.8114S10 F11 A12 S17 A408 L438S10-R14 WeakPolarHBondContact O-CG 3.33Å; S10-R14 PolarHBondContact O-N 2.65Å; S10-R14 PolarHBondContact O-NE 2.88Å; F11-R14 PolarHBondContact O-N 2.71Å; A12-R14 VanDerWaalsContact C-N 3.32Å; A12-R14 PolarHBondContact O-N 2.81Å; R14-S17 PolarHBondContact O-OG 3.3Å; R14-A408 PolarHBondContact NH1-O 3.3Å; R14-L438 WeakPolarHBondContact CB-O 3.23Å
15L91.3Very high92.2Very high2 Ų239.2 Ų39.21%0.0121%0.208CC..Hα-helixtrans-75.9-38.3177.8-69-171.6000111.7F11 A12 D13 V18 P40 C91 L134 A136 F143 L438F11-L15 HydrophobicContact CD1-CD1 4.04Å; F11-L15 HydrophobicContact CD1-CG 4.36Å; F11-L15 HydrophobicContact CE1-CD1 3.44Å; F11-L15 VanDerWaalsContact CE1-CD1 3.44Å; F11-L15 HydrophobicContact CE1-CG 4.08Å; F11-L15 HydrophobicContact CZ-CD1 4.32Å; F11-L15 PolarHBondContact O-N 2.98Å; A12-L15 PolarHBondContact O-N 2.92Å; A12-L15 VanDerWaalsContact O-N 3.15Å; D13-L15 PolarHBondContact O-N 3.14Å; L15-V18 PolarHBondContact O-N 2.8Å; L15-P40 HydrophobicContact CD2-CB 4.01Å; L15-P40 HydrophobicContact CD2-CG 4.09Å; L15-P40 HydrophobicContact CG-CG 4.48Å; L15-C91 HydrophobicContact CD1-CB 4.38Å; L15-C91 HydrophobicContact CD2-CB 4.45Å; L15-L134 HydrophobicContact CD1-CD2 3.66Å; L15-L134 HydrophobicContact CD1-CG 4.44Å; L15-A136 HydrophobicContact CB-CB 3.99Å; L15-A136 HydrophobicContact CD1-CB 4.33Å; L15-F143 HydrophobicContact CB-CE1 4.02Å; L15-F143 HydrophobicContact CD1-CE1 3.99Å; L15-L438 HydrophobicContact CD2-CD2 3.56Å; L15-L438 HydrophobicContact CD2-CG 4.49Å
16I90Very high92.1Very high38 Ų3839.2 Ų39.220%0.19521%0.208CC..Hα-helixtrans-73.7-28.4-177.8-87.7169.1000112.4A12 D13 V18 K141 F143A12-I16 WeakPolarHBondContact O-CB 3.4Å; A12-I16 PolarHBondContact O-N 3.18Å; D13-I16 PolarHBondContact O-N 2.65Å; I16-V18 PolarHBondContact O-N 3.03Å; I16-K141 HydrophobicContact CB-CD 4.36Å; I16-K141 HydrophobicContact CD1-CB 4.06Å; I16-K141 HydrophobicContact CG1-CB 4.38Å; I16-K141 HydrophobicContact CG1-CD 4.2Å; I16-K141 HydrophobicContact CG2-CD 3.63Å; I16-K141 HydrophobicContact CG2-CG 4.38Å; I16-K141 PolarHBondContact O-NZ 3.22Å; I16-F143 HydrophobicContact CD1-CD2 4.49Å; I16-F143 HydrophobicContact CD1-CE1 4.48Å; I16-F143 HydrophobicContact CD1-CE2 3.36Å; I16-F143 HydrophobicContact CD1-CZ 3.36Å; I16-F143 HydrophobicContact CG1-CE1 4.37Å; I16-F143 HydrophobicContact CG1-CE2 4.1Å; I16-F143 HydrophobicContact CG1-CZ 3.61Å
17S86.7Confident92.1Very high75 Ų7539.2 Ų39.252%0.52421%0.208SC..THydrogen-bonded Turntrans-71-9.8177.564.10000113.7D13 R14D13-S17 WeakPolarHBondContact O-CB 3.2Å; D13-S17 PolarHBondContact O-N 3.14Å; D13-S17 PolarHBondContact O-OG 3.4Å; R14-S17 PolarHBondContact O-OG 3.3Å
18V88.9Confident92.1Very high17 Ų1739.2 Ų39.210%0.10321%0.208CC..  trans-93.1110.1178.5174.70000109.1L15 I16 E20 R22 T93 L438L15-V18 PolarHBondContact O-N 2.8Å; I16-V18 PolarHBondContact O-N 3.03Å; V18-E20 WeakPolarHBondContact CG1-O 3.11Å; V18-R22 HydrophobicContact CG1-CB 4.03Å; V18-R22 HydrophobicContact CG1-CG 3.26Å; V18-T93 HydrophobicContact CB-CG2 4.08Å; V18-T93 HydrophobicContact CG1-CG2 4.03Å; V18-L438 HydrophobicContact CG2-CD2 3.87Å
19D86.8Confident92.1Very high124 Ų12437.8 Ų37.866%0.66320%0.2SC*.  trans-89.3-12.6-178.7-68.4-33000113.6K141D19-K141 IonicContact OD1-NZ 2.65Å; D19-K141 PolarHBondContact OD1-NZ 3.29Å
20E89Confident92.1Very high150 Ų15036.6 Ų36.670%0.70119%0.189SC*.SBendtrans-101.1167.1179-62.8-176.4175.300112.3V18 R22 T93V18-E20 WeakPolarHBondContact CG1-O 3.11Å; E20-R22 PolarHBondContact O-N 3.1Å; E20-T93 PolarHBondContact O-OG1 3.2Å
21F92.2Very high92.2Very high25 Ų2535.5 Ų35.511%0.1118%0.177CC..  trans-61.3124.7170.6175-84.4000110.2C23 P59 R60 M61 I62 L65 L92 T93 V94F21-C23 HydrophobicContact CZ-CB 4.47Å; F21-P59 HydrophobicContact CD1-CB 4.49Å; F21-P59 WeakPolarHBondContact CD1-O 3.14Å; F21-P59 HydrophobicContact CE1-CB 3.89Å; F21-P59 HydrophobicContact CE1-CG 4.14Å; F21-R60 WeakPolarHBondContact CB-O 3.34Å; F21-R60 VanDerWaalsContact CG-C 3.48Å; F21-R60 VanDerWaalsContact CG-O 3.3Å; F21-R60 WeakPolarHBondContact CG-O 3.27Å; F21-M61 VanDerWaalsContact CE2-C 3.43Å; F21-M61 VanDerWaalsContact CZ-C 3.42Å; F21-M61 WeakPolarHBondContact CZ-O 3.2Å; F21-I62 HydrophobicContact CE2-CB 4.43Å; F21-I62 HydrophobicContact CE2-CG1 3.69Å; F21-I62 HydrophobicContact CZ-CG1 4.41Å; F21-L65 HydrophobicContact CE1-CD2 4.04Å; F21-L65 HydrophobicContact CZ-CD1 4.05Å; F21-L65 HydrophobicContact CZ-CD2 4Å; F21-L65 HydrophobicContact CZ-CG 4.04Å; F21-L92 HydrophobicContact CZ-CD2 4.46Å; F21-T93 WeakPolarHBondContact CA-O 3.49Å; F21-V94 HydrophobicContact CD2-CG1 3.26Å; F21-V94 HydrophobicContact CE2-CG1 3.58Å; F21-V94 HydrophobicContact CG-CG1 4.39Å
22R92.5Very high92.1Very high73 Ų7338.7 Ų38.728%0.27521%0.211SC..  trans-142150.4170.4-56.7-66.2-116.9141.95.4109.6V18 E20 E42 L92 T93 L438V18-R22 HydrophobicContact CG1-CB 4.03Å; V18-R22 HydrophobicContact CG1-CG 3.26Å; E20-R22 PolarHBondContact O-N 3.1Å; R22-E42 IonicContact CZ-OE1 3.72Å; R22-E42 IonicContact CZ-OE2 3.42Å; R22-E42 IonicContact NH1-OE1 3.4Å; R22-E42 PolarHBondContact NH1-OE1 3Å; R22-E42 IonicContact NH1-OE2 3.58Å; R22-E42 IonicContact NH2-OE1 3.81Å; R22-E42 PolarHBondContact NH2-OE1 3.03Å; R22-E42 IonicContact NH2-OE2 3.94Å; R22-E42 PolarHBondContact NH2-OE2 2.94Å; R22-L92 WeakPolarHBondContact O-CA 3.45Å; R22-T93 WeakPolarHBondContact CA-OG1 3.42Å; R22-T93 WeakPolarHBondContact CB-OG1 3.27Å; R22-T93 PolarHBondContact N-OG1 2.82Å; R22-T93 PolarHBondContact O-N 2.97Å; R22-T93 PolarHBondContact O-OG1 3.35Å; R22-L438 HydrophobicContact CB-CD1 4.02Å; R22-L438 HydrophobicContact CB-CD2 4.45Å
23C94.1Very high91.9Very high6 Ų641.4 Ų41.44%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-123.7140.1172.3-170.30000108.6F21 I43 L65 C91 L92F21-C23 HydrophobicContact CZ-CB 4.47Å; C23-I43 HydrophobicContact CB-CD1 3.79Å; C23-I43 PolarHBondContact O-N 2.93Å; C23-I43 WeakPolarHBondContact SG-CD1 3.25Å; C23-L65 HydrophobicContact CB-CD1 4.11Å; C23-L65 HydrophobicContact CB-CD2 3.68Å; C23-C91 WeakPolarHBondContact CA-O 3.05Å; C23-L92 HydrophobicContact CB-CD2 3.85Å; C23-L92 WeakPolarHBondContact SG-CD2 3.34Å
24G95.1Very high92.1Very high0 Ų037.7 Ų37.70%021%0.209CC..EExtended strand (participates in β ladder)trans-140.2158.617600000112.5I41 I90 C91G24-I41 CarbonylContact C-O 3.52Å; G24-I41 VanDerWaalsContact C-O 3.26Å; G24-I41 WeakPolarHBondContact CA-O 3Å; G24-I90 CarbonylContact O-C 3.5Å; G24-I90 WeakPolarHBondContact O-CA 3.49Å; G24-I90 WeakPolarHBondContact O-CB 3.14Å; G24-C91 PolarHBondContact N-O 3.19Å; G24-C91 PolarHBondContact O-N 3.18Å
25V96.2Very high92.4Very high0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-90.7135.1172179.20000109.1I41 I43 L77 I87V25-I41 PolarHBondContact N-O 3.25Å; V25-I41 PolarHBondContact O-N 2.74Å; V25-I43 HydrophobicContact CG2-CD1 4.44Å; V25-I43 HydrophobicContact CG2-CG1 4.04Å; V25-L77 HydrophobicContact CB-CD1 3.9Å; V25-L77 HydrophobicContact CG1-CD1 3.89Å; V25-L77 HydrophobicContact CG2-CD1 4.36Å; V25-I87 HydrophobicContact CG1-CD1 4.39Å; V25-I87 HydrophobicContact CG1-CG1 4.37Å; V25-I87 HydrophobicContact CG1-CG2 3.58Å
26I96.7Very high92.7Very high0 Ų036.5 Ų36.50%020%0.204CC..EExtended strand (participates in β ladder)trans-99.1121-178.8-56172.1000109.8F11 L37 S88 G89 I90 C91 L134F11-I26 HydrophobicContact CZ-CG2 4.42Å; I26-L37 HydrophobicContact CD1-CD1 4.25Å; I26-L37 HydrophobicContact CG2-CB 3.79Å; I26-L37 HydrophobicContact CG2-CD1 3.93Å; I26-L37 HydrophobicContact CG2-CD2 3.74Å; I26-L37 HydrophobicContact CG2-CG 4.01Å; I26-S88 PolarHBondContact O-N 3.02Å; I26-G89 PolarHBondContact N-O 3.42Å; I26-I90 VanDerWaalsContact CD1-C 3.44Å; I26-I90 VanDerWaalsContact CD1-O 3.29Å; I26-I90 WeakPolarHBondContact CD1-O 3.35Å; I26-C91 HydrophobicContact CD1-CB 3.85Å; I26-C91 HydrophobicContact CG1-CB 3.89Å; I26-L134 HydrophobicContact CD1-CB 3.74Å; I26-L134 HydrophobicContact CD1-CD2 4.48Å
27I95.8Very high93Very high1 Ų134.8 Ų34.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-91.6127.7168.8-57.7177.6000108.4F38 L39 I41 I81 V85 L412I27-F38 HydrophobicContact CG2-CD2 4.36Å; I27-F38 PolarHBondContact O-N 3.01Å; I27-L39 PolarHBondContact N-O 2.89Å; I27-L39 PolarHBondContact O-N 3.46Å; I27-I41 HydrophobicContact CD1-CD1 4.46Å; I27-I41 HydrophobicContact CD1-CG1 3.76Å; I27-I41 HydrophobicContact CG1-CG1 4.26Å; I27-I81 HydrophobicContact CD1-CG2 4.06Å; I27-I81 HydrophobicContact CG1-CG2 4.46Å; I27-I81 HydrophobicContact CG2-CG2 3.91Å; I27-V85 HydrophobicContact CG2-CG1 3.34Å; I27-L412 HydrophobicContact CG2-CD2 4.13Å
28G95.8Very high93.4Very high0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-153.9-178.4-177.400000113.9C36 F38 V85 H86 S88G28-C36 CarbonylContact C-O 3.54Å; G28-C36 WeakPolarHBondContact CA-O 3.45Å; G28-F38 VanDerWaalsContact CA-CD2 3.46Å; G28-V85 WeakPolarHBondContact O-CG1 3.44Å; G28-H86 PolarHBondContact N-O 3.09Å; G28-H86 PolarHBondContact O-N 3.41Å; G28-H86 PolarHBondContact O-ND1 2.63Å; G28-H86 VanDerWaalsContact O-O 3.12Å; G28-S88 WeakPolarHBondContact CA-OG 3.5Å; G28-S88 PolarHBondContact N-OG 3.11Å
29G95Very high93.7Very high0 Ų030.8 Ų30.80%017%0.167CC..EExtended strand (participates in β ladder)trans-151.4151.6-175.300000111.8E35 C36 F38G29-E35 PolarHBondContact N-OE1 3.46Å; G29-C36 PolarHBondContact N-O 2.83Å; G29-C36 WeakPolarHBondContact O-CB 3.24Å; G29-C36 PolarHBondContact O-N 3.26Å; G29-F38 VanDerWaalsContact N-CE2 3.3Å
30R92.4Very high94.1Very high69 Ų6924.9 Ų24.926%0.2614%0.135SC..EExtended strand (participates in β ladder)trans-86.6134.4-176.6-167.371.769.2-170.9-2.4111.3G32 Q34 E35R30-G32 WeakPolarHBondContact CD-O 3.45Å; R30-G32 WeakPolarHBondContact CG-O 3.4Å; R30-Q34 WeakPolarHBondContact CD-O 3.46Å; R30-E35 IonicContact CZ-OE2 3.93Å; R30-E35 IonicContact NE-OE2 2.67Å; R30-E35 PolarHBondContact NE-OE2 2.78Å; R30-E35 IonicContact NH1-OE2 3.08Å; R30-E35 PolarHBondContact NH1-OE2 2.96Å; R30-E35 IonicContact NH2-OE2 3.97Å; R30-E35 PolarHBondContact NH2-OE2 3.46Å
31F91.7Very high94.4Very high34 Ų3417.7 Ų17.715%0.14910%0.102CC..EExtended strand (participates in β ladder)trans-130.890.9168-175-122.2000110S33 Q34 W171 P353 N355F31-S33 PolarHBondContact O-N 2.77Å; F31-Q34 VanDerWaalsContact CD1-OE1 3.29Å; F31-Q34 PolarHBondContact N-O 2.62Å; F31-Q34 WeakPolarHBondContact O-CB 3.35Å; F31-Q34 PolarHBondContact O-N 3.47Å; F31-W171 HydrophobicContact CB-CZ2 4.44Å; F31-P353 HydrophobicContact CB-CG 4.33Å; F31-P353 HydrophobicContact CD2-CB 3.37Å; F31-P353 HydrophobicContact CD2-CG 3.52Å; F31-P353 HydrophobicContact CE2-CB 3.61Å; F31-P353 HydrophobicContact CE2-CG 4.28Å; F31-P353 HydrophobicContact CG-CG 4.36Å; F31-N355 WeakPolarHBondContact CE2-ND2 3.32Å; F31-N355 VanDerWaalsContact CE2-OD1 3.25Å; F31-N355 WeakPolarHBondContact CE2-OD1 3.16Å
32G89.4Confident94.4Very high70 Ų7017.7 Ų17.772%0.72210%0.102SC*.THydrogen-bonded Turntrans62.3-119.7-171.600000111.7R30R30-G32 WeakPolarHBondContact CD-O 3.45Å; R30-G32 WeakPolarHBondContact CG-O 3.4Å
33S90.8Very high94.4Very high61 Ų6115.1 Ų15.143%0.4279%0.094SC..THydrogen-bonded Turntrans-88.5-3.2174.8570000113.9A3 F31A3-S33 PolarHBondContact N-O 3.11Å; F31-S33 PolarHBondContact O-N 2.77Å
34Q94.3Very high94.2Very high22 Ų2215.6 Ų15.610%0.10310%0.097CC..EExtended strand (participates in β ladder)trans-91.3142.5179.7-43.6-174-47.600109.9E4 L6 R30 F31E4-Q34 HydrophobicContact CG-CB 3.93Å; E4-Q34 HydrophobicContact CG-CG 3.58Å; E4-Q34 WeakPolarHBondContact O-CA 3.34Å; E4-Q34 VanDerWaalsContact OE1-CG 3.25Å; E4-Q34 WeakPolarHBondContact OE1-CG 3.34Å; E4-Q34 PolarHBondContact OE1-NE2 3.1Å; L6-Q34 HydrophobicContact CD1-CB 4.04Å; L6-Q34 VanDerWaalsContact CD1-CD 3.49Å; L6-Q34 HydrophobicContact CD1-CG 4.31Å; R30-Q34 WeakPolarHBondContact CD-O 3.46Å; F31-Q34 VanDerWaalsContact CD1-OE1 3.29Å; F31-Q34 PolarHBondContact N-O 2.62Å; F31-Q34 WeakPolarHBondContact O-CB 3.35Å; F31-Q34 PolarHBondContact O-N 3.47Å
35E95.9Very high93.7Very high1 Ų120.8 Ų20.81%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-106.6116.6166.1-171.966.5-161.900109.5I2 E4 V5 L6 G29 R30 L37 H86 S88 L132I2-E35 HydrophobicContact CD1-CB 4.28Å; I2-E35 HydrophobicContact CD1-CG 4.48Å; I2-E35 HydrophobicContact CG2-CB 3.68Å; E4-E35 PolarHBondContact O-N 2.8Å; V5-E35 CarbonylContact C-O 3.59Å; V5-E35 VanDerWaalsContact CA-O 3.31Å; V5-E35 WeakPolarHBondContact CA-O 3.17Å; V5-E35 HydrophobicContact CG2-CB 4.38Å; L6-E35 PolarHBondContact N-O 3.37Å; G29-E35 PolarHBondContact N-OE1 3.46Å; R30-E35 IonicContact CZ-OE2 3.93Å; R30-E35 IonicContact NE-OE2 2.67Å; R30-E35 PolarHBondContact NE-OE2 2.78Å; R30-E35 IonicContact NH1-OE2 3.08Å; R30-E35 PolarHBondContact NH1-OE2 2.96Å; R30-E35 IonicContact NH2-OE2 3.97Å; R30-E35 PolarHBondContact NH2-OE2 3.46Å; E35-L37 HydrophobicContact CG-CD2 3.81Å; E35-H86 IonicContact OE1-CE1 3.11Å; E35-H86 PolarHBondContact OE1-CE1 3.08Å; E35-H86 IonicContact OE1-NE2 3.44Å; E35-H86 PolarHBondContact OE1-NE2 2.89Å; E35-H86 IonicContact OE2-CE1 3.59Å; E35-H86 IonicContact OE2-NE2 2.73Å; E35-S88 WeakPolarHBondContact OE1-CB 3.2Å; E35-S88 PolarHBondContact OE1-OG 3.29Å; E35-L132 HydrophobicContact CB-CD1 4.04Å; E35-L132 HydrophobicContact CG-CD1 3.67Å
36C96.8Very high92.9Very high1 Ų123 Ų231%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-93.7115.9-179.6-66.40000109.3L6 G28 G29 F38 F167 W171L6-C36 CarbonylContact O-C 3.53Å; L6-C36 WeakPolarHBondContact O-CA 2.97Å; G28-C36 CarbonylContact C-O 3.54Å; G28-C36 WeakPolarHBondContact CA-O 3.45Å; G29-C36 PolarHBondContact N-O 2.83Å; G29-C36 WeakPolarHBondContact O-CB 3.24Å; G29-C36 PolarHBondContact O-N 3.26Å; C36-F38 HydrophobicContact CB-CE1 4.23Å; C36-F167 HydrophobicContact CB-CD2 3.77Å; C36-F167 HydrophobicContact CB-CE2 3.45Å; C36-F167 VanDerWaalsContact CB-CE2 3.45Å; C36-F167 HydrophobicContact CB-CZ 3.97Å; C36-W171 HydrophobicContact CB-CZ2 3.99Å
37L97.2Very high91.5Very high2 Ų227.6 Ų27.61%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-93.3118.9180-40.4-176.8000109.5V5 L6 F7 F11 I26 E35 L132 L134 F167V5-L37 HydrophobicContact CG1-CD1 3.41Å; V5-L37 VanDerWaalsContact CG1-CD1 3.41Å; V5-L37 HydrophobicContact CG1-CD2 3.82Å; V5-L37 HydrophobicContact CG1-CG 3.45Å; V5-L37 VanDerWaalsContact CG1-CG 3.45Å; L6-L37 PolarHBondContact O-N 2.91Å; F7-L37 HydrophobicContact CB-CB 4.14Å; F7-L37 HydrophobicContact CD1-CD1 3.94Å; F7-L37 HydrophobicContact CD1-CG 4.46Å; F11-L37 HydrophobicContact CD2-CB 4.45Å; F11-L37 HydrophobicContact CE1-CD1 4.46Å; F11-L37 HydrophobicContact CE2-CB 3.83Å; F11-L37 HydrophobicContact CZ-CB 4.04Å; F11-L37 HydrophobicContact CZ-CD1 4.12Å; I26-L37 HydrophobicContact CD1-CD1 4.25Å; I26-L37 HydrophobicContact CG2-CB 3.79Å; I26-L37 HydrophobicContact CG2-CD1 3.93Å; I26-L37 HydrophobicContact CG2-CD2 3.74Å; I26-L37 HydrophobicContact CG2-CG 4.01Å; E35-L37 HydrophobicContact CG-CD2 3.81Å; L37-L132 HydrophobicContact CD2-CD1 4.13Å; L37-L134 HydrophobicContact CD1-CD2 3.93Å; L37-F167 WeakPolarHBondContact O-CZ 3.42Å
38F95.6Very high89.8Confident7 Ų731.9 Ų31.93%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-90.1-44.4-175.4-52.7-57.8000112.2I27 G28 G29 C36 V85 F167 I168 W171 F351 L412I27-F38 HydrophobicContact CG2-CD2 4.36Å; I27-F38 PolarHBondContact O-N 3.01Å; G28-F38 VanDerWaalsContact CA-CD2 3.46Å; G29-F38 VanDerWaalsContact N-CE2 3.3Å; C36-F38 HydrophobicContact CB-CE1 4.23Å; F38-V85 HydrophobicContact CD2-CG1 4.15Å; F38-V85 HydrophobicContact CE2-CG1 4.07Å; F38-V85 HydrophobicContact CE2-CG2 3.93Å; F38-F167 AromaticContact CD1-CE2 3.69Å; F38-F167 HydrophobicContact CD1-CE2 3.69Å; F38-F167 AromaticContact CD1-CZ 3.91Å; F38-F167 HydrophobicContact CD1-CZ 3.91Å; F38-F167 AromaticContact CE1-CE2 3.62Å; F38-F167 HydrophobicContact CE1-CE2 3.62Å; F38-F167 HydrophobicContact CE1-CZ 4.28Å; F38-I168 HydrophobicContact CD1-CD1 3.63Å; F38-I168 HydrophobicContact CE1-CD1 3.9Å; F38-W171 AromaticContact CE1-CD2 3.82Å; F38-W171 HydrophobicContact CE1-CD2 3.82Å; F38-W171 AromaticContact CE1-CE2 3.72Å; F38-W171 HydrophobicContact CE1-CE3 4.22Å; F38-W171 HydrophobicContact CE1-CG 4.21Å; F38-W171 HydrophobicContact CE1-CZ2 4.1Å; F38-W171 AromaticContact CE1-NE1 3.96Å; F38-W171 HydrophobicContact CE2-CH2 4.49Å; F38-W171 HydrophobicContact CE2-CZ3 4.41Å; F38-W171 AromaticContact CZ-CD2 3.71Å; F38-W171 HydrophobicContact CZ-CD2 3.71Å; F38-W171 AromaticContact CZ-CE2 3.64Å; F38-W171 AromaticContact CZ-CE3 3.67Å; F38-W171 HydrophobicContact CZ-CE3 3.67Å; F38-W171 AromaticContact CZ-CH2 3.65Å; F38-W171 HydrophobicContact CZ-CH2 3.65Å; F38-W171 AromaticContact CZ-CZ2 3.63Å; F38-W171 HydrophobicContact CZ-CZ2 3.63Å; F38-W171 AromaticContact CZ-CZ3 3.63Å; F38-W171 HydrophobicContact CZ-CZ3 3.63Å; F38-F351 HydrophobicContact CD1-CE1 4.36Å; F38-F351 AromaticContact CE1-CE1 3.86Å; F38-F351 HydrophobicContact CE1-CE1 3.86Å; F38-F351 HydrophobicContact CE2-CD1 4.38Å; F38-F351 HydrophobicContact CE2-CE1 4.44Å; F38-F351 HydrophobicContact CZ-CD1 4.13Å; F38-F351 AromaticContact CZ-CE1 3.94Å; F38-F351 HydrophobicContact CZ-CE1 3.94Å; F38-L412 HydrophobicContact CB-CD2 4.02Å; F38-L412 HydrophobicContact CD2-CD1 4.28Å; F38-L412 HydrophobicContact CD2-CD2 4.43Å
39L94Very high87.8Confident0 Ų033.4 Ų33.40%019%0.193CC..EExtended strand (participates in β ladder)trans-152.6126.4-168.8-164.763.6000111.3I27 I41 L406 A408 C409 L414 P437I27-L39 PolarHBondContact N-O 2.89Å; I27-L39 PolarHBondContact O-N 3.46Å; L39-I41 HydrophobicContact CD2-CD1 3.42Å; L39-I41 VanDerWaalsContact CD2-CD1 3.42Å; L39-I41 HydrophobicContact CD2-CG1 4.35Å; L39-I41 HydrophobicContact CG-CD1 3.72Å; L39-I41 HydrophobicContact CG-CG1 4.41Å; L39-L406 HydrophobicContact CD2-CD1 3.65Å; L39-A408 HydrophobicContact CD1-CB 3.74Å; L39-C409 HydrophobicContact CD1-CB 4.13Å; L39-L414 HydrophobicContact CD2-CD1 4.46Å; L39-P437 HydrophobicContact CD1-CB 3.96Å; L39-P437 HydrophobicContact CD1-CG 4.12Å
40P95.3Very high85.8Confident0 Ų040.7 Ų40.70%023%0.232CC..EExtended strand (participates in β ladder)trans-87.612116630-17.2000107.8F11 L15 P437 L438F11-P40 HydrophobicContact CD1-CG 4.48Å; F11-P40 VanDerWaalsContact CD2-CD 3.43Å; F11-P40 HydrophobicContact CD2-CG 3.94Å; F11-P40 HydrophobicContact CE1-CB 4.48Å; F11-P40 HydrophobicContact CE1-CG 4.23Å; F11-P40 HydrophobicContact CE2-CB 3.92Å; F11-P40 HydrophobicContact CE2-CG 3.64Å; F11-P40 VanDerWaalsContact CE2-N 3.35Å; F11-P40 HydrophobicContact CG-CG 4.32Å; F11-P40 HydrophobicContact CZ-CB 3.78Å; F11-P40 HydrophobicContact CZ-CG 3.78Å; L15-P40 HydrophobicContact CD2-CB 4.01Å; L15-P40 HydrophobicContact CD2-CG 4.09Å; L15-P40 HydrophobicContact CG-CG 4.48Å; P40-P437 CarbonylContact O-C 3.5Å; P40-P437 VanDerWaalsContact O-CA 3.3Å; P40-P437 WeakPolarHBondContact O-CA 3.28Å; P40-L438 HydrophobicContact CB-CB 4.14Å; P40-L438 HydrophobicContact CG-CB 4.41Å; P40-L438 PolarHBondContact O-N 2.85Å
41I94.9Very high83.9Confident0 Ų042.5 Ų42.50%025%0.247CC..EExtended strand (participates in β ladder)trans-100.7129.6176.6-62.2-59.7000108.9G24 V25 I27 L39 L77 L436G24-I41 CarbonylContact C-O 3.52Å; G24-I41 VanDerWaalsContact C-O 3.26Å; G24-I41 WeakPolarHBondContact CA-O 3Å; V25-I41 PolarHBondContact N-O 3.25Å; V25-I41 PolarHBondContact O-N 2.74Å; I27-I41 HydrophobicContact CD1-CD1 4.46Å; I27-I41 HydrophobicContact CD1-CG1 3.76Å; I27-I41 HydrophobicContact CG1-CG1 4.26Å; L39-I41 HydrophobicContact CD2-CD1 3.42Å; L39-I41 VanDerWaalsContact CD2-CD1 3.42Å; L39-I41 HydrophobicContact CD2-CG1 4.35Å; L39-I41 HydrophobicContact CG-CD1 3.72Å; L39-I41 HydrophobicContact CG-CG1 4.41Å; I41-L77 HydrophobicContact CB-CD1 4.15Å; I41-L77 HydrophobicContact CG1-CD1 4.42Å; I41-L77 HydrophobicContact CG1-CD2 4.44Å; I41-L77 HydrophobicContact CG2-CD1 3.98Å; I41-L77 HydrophobicContact CG2-CD2 4.24Å; I41-L436 WeakPolarHBondContact CA-O 3.2Å
42E93.5Very high81.7Confident25 Ų2545.6 Ų45.612%0.11727%0.27CS..EExtended strand (participates in β ladder)trans-67.5137.9176.6-169.6178140.500111.8R22 P44 L436 L438R22-E42 IonicContact CZ-OE1 3.72Å; R22-E42 IonicContact CZ-OE2 3.42Å; R22-E42 IonicContact NH1-OE1 3.4Å; R22-E42 PolarHBondContact NH1-OE1 3Å; R22-E42 IonicContact NH1-OE2 3.58Å; R22-E42 IonicContact NH2-OE1 3.81Å; R22-E42 PolarHBondContact NH2-OE1 3.03Å; R22-E42 IonicContact NH2-OE2 3.94Å; R22-E42 PolarHBondContact NH2-OE2 2.94Å; E42-P44 WeakPolarHBondContact O-CD 3.35Å; E42-L436 PolarHBondContact N-O 3.06Å; E42-L438 HydrophobicContact CB-CB 4.28Å; E42-L438 HydrophobicContact CB-CG 4.46Å
43I92.2Very high79.8Confident19 Ų1947.4 Ų47.410%0.09727%0.269CS..PPolyproline II helixtrans-74.9121.7171.4-69.3154.7000108.7C23 V25 I70C23-I43 HydrophobicContact CB-CD1 3.79Å; C23-I43 PolarHBondContact O-N 2.93Å; C23-I43 WeakPolarHBondContact SG-CD1 3.25Å; V25-I43 HydrophobicContact CG2-CD1 4.44Å; V25-I43 HydrophobicContact CG2-CG1 4.04Å; I43-I70 HydrophobicContact CD1-CD1 3.97Å; I43-I70 HydrophobicContact CD1-CG1 3.77Å; I43-I70 HydrophobicContact CD1-CG2 4.35Å
44P89.3Confident77.8Confident15 Ų1550.9 Ų50.910%0.09728%0.278CS..PPolyproline II helixtrans-64.6160.1178.125.5-32.6000111E42 W69 H73 Y433E42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-W69 HydrophobicContact CG-CZ2 3.94Å; P44-W69 PolarHBondContact O-NE1 3.44Å; P44-H73 WeakPolarHBondContact CD-CE1 3.44Å; P44-H73 WeakPolarHBondContact CD-ND1 3.25Å; P44-Y433 HydrophobicContact CB-CD1 4.5Å; P44-Y433 HydrophobicContact CB-CE1 4.11Å; P44-Y433 HydrophobicContact CB-CE2 4.25Å; P44-Y433 HydrophobicContact CG-CE1 4.2Å
45K84.3Confident75.5Confident109 Ų10958 Ų5847%0.47430%0.304SS..PPolyproline II helixtrans-62.3139.7172.7-63.8-178.7-176.81790109.5D47 W69 Y433K45-D47 PolarHBondContact O-N 2.8Å; K45-D47 VanDerWaalsContact O-N 3.13Å; K45-W69 WeakPolarHBondContact O-CZ2 3.38Å; K45-Y433 PolarHBondContact O-OH 2.85Å
46D79.9Confident73.5Confident47 Ų4760.8 Ų60.825%0.25132%0.324SS..  trans-80.292.8174.2-169.3-9.3000108.9T48 W69D46-T48 VanDerWaalsContact C-N 3.28Å; D46-T48 PolarHBondContact OD1-N 2.88Å; D46-T48 PolarHBondContact OD1-OG1 3.09Å; D46-W69 HydrophobicContact CB-CD2 3.93Å; D46-W69 HydrophobicContact CB-CE3 4.46Å; D46-W69 HydrophobicContact CB-CG 4.03Å; D46-W69 HydrophobicContact CB-CZ2 4.45Å
47D67.8Low71.7Confident96 Ų9665.4 Ų65.451%0.51335%0.352SS..  trans-88.73.3176.1-65.3-27.7000112K45 S56K45-D47 PolarHBondContact O-N 2.8Å; K45-D47 VanDerWaalsContact O-N 3.13Å; D47-S56 WeakPolarHBondContact OD1-CB 3.34Å
48T59.3Low70.5Confident92 Ų9267.4 Ų67.456%0.56437%0.366SS*.  trans-90.9-4.9-172.767.40000114.3D46 D50 W69D46-T48 VanDerWaalsContact C-N 3.28Å; D46-T48 PolarHBondContact OD1-N 2.88Å; D46-T48 PolarHBondContact OD1-OG1 3.09Å; T48-D50 PolarHBondContact O-N 2.93Å; T48-W69 HydrophobicContact CG2-CH2 4.16Å; T48-W69 HydrophobicContact CG2-CZ3 3.91Å
49S55.5Low69.8Low32 Ų3269 Ų6922%0.22438%0.377CS..  trans-79.7112.7178.167.80000111.7D51 H54S49-D51 PolarHBondContact O-N 3.2Å; S49-H54 PolarHBondContact OG-O 2.92Å
50D52.9Low69.4Low152 Ų15277.6 Ų77.681%0.81341%0.41SS*.  trans-66.8-13.8173.9-75.9-40.4000113.5T48 P52T48-D50 PolarHBondContact O-N 2.93Å; D50-P52 VanDerWaalsContact O-CD 3.32Å; D50-P52 WeakPolarHBondContact O-CD 3.31Å
51D52.3Low69.1Low108 Ų10881.5 Ų81.558%0.57843%0.429SS*.SBendtrans-79.4117-176.1-77.6-38.6000112.8S49 P53 H54 R55S49-D51 PolarHBondContact O-N 3.2Å; D51-P53 VanDerWaalsContact C-CD 3.47Å; D51-P53 VanDerWaalsContact C-N 3.31Å; D51-P53 VanDerWaalsContact O-N 3.09Å; D51-H54 PolarHBondContact O-N 3.5Å; D51-R55 PolarHBondContact O-N 2.81Å
52P45.2Very low68.9Low98 Ų9881.5 Ų81.564%0.63643%0.429SS*.THydrogen-bonded Turntrans-87.648.2-174.536.1-34000113.8D50D50-P52 VanDerWaalsContact O-CD 3.32Å; D50-P52 WeakPolarHBondContact O-CD 3.31Å
53P49Very low68.8Low108 Ų10886.1 Ų86.170%0.70145%0.45SS*.THydrogen-bonded Turntrans-124.9-4.1132.436.3-29.1000113.6D51D51-P53 VanDerWaalsContact C-CD 3.47Å; D51-P53 VanDerWaalsContact C-N 3.31Å; D51-P53 VanDerWaalsContact O-N 3.09Å
54H48.5Very low68.7Low135 Ų13589.1 Ų89.163%0.62547%0.467SS*.THydrogen-bonded Turntrans-99.9-1.1-179.1-70-63.4000114S49 D51 S56S49-H54 PolarHBondContact OG-O 2.92Å; D51-H54 PolarHBondContact O-N 3.5Å; H54-S56 PolarHBondContact O-N 3.39Å
55R46Very low68.8Low170 Ų17088.7 Ų88.764%0.64246%0.464SS*.THydrogen-bonded Turntrans-51.8107.7172.6-79.9-177.5176.4175.2-1.9112.4D51 V57D51-R55 PolarHBondContact O-N 2.81Å; R55-V57 PolarHBondContact O-N 3.41Å
56S54.3Low69.1Low60 Ų6086 Ų8642%0.4246%0.458SS..THydrogen-bonded Turntrans60.329.5150.371.40000118.7D47 H54 S58D47-S56 WeakPolarHBondContact OD1-CB 3.34Å; H54-S56 PolarHBondContact O-N 3.39Å; S56-S58 PolarHBondContact O-N 3.08Å
57V58.2Low69.6Low98 Ų9885.7 Ų85.759%0.59446%0.455SS*.PPolyproline II helixtrans-83117.5167.4-173.50000108R55R55-V57 PolarHBondContact O-N 3.41Å
58S71.9Confident70.7Confident44 Ų4489 Ų8931%0.30847%0.465SS..PPolyproline II helixtrans-54.3131.1169.650.90000108.8S56 R60S56-S58 PolarHBondContact O-N 3.08Å; S58-R60 WeakPolarHBondContact O-CG 3.32Å; S58-R60 PolarHBondContact O-N 2.9Å
59P81.8Confident72.2Confident41 Ų4186.2 Ų86.227%0.26644%0.444SS..PPolyproline II helixtrans-55.8136.4-177.625.6-35000109.1F21 D64 L65F21-P59 HydrophobicContact CD1-CB 4.49Å; F21-P59 WeakPolarHBondContact CD1-O 3.14Å; F21-P59 HydrophobicContact CE1-CB 3.89Å; F21-P59 HydrophobicContact CE1-CG 4.14Å; P59-D64 HydrophobicContact CB-CB 3.66Å; P59-L65 HydrophobicContact CB-CD2 3.88Å; P59-L65 HydrophobicContact CG-CD2 3.9Å
60R85.2Confident74Confident180 Ų18084.7 Ų84.768%0.67943%0.434SS*.  trans-109-16.1-177.5-63.9-173.5178.7-172.2-1.3112.6F21 S58 D64F21-R60 WeakPolarHBondContact CB-O 3.34Å; F21-R60 VanDerWaalsContact CG-C 3.48Å; F21-R60 VanDerWaalsContact CG-O 3.3Å; F21-R60 WeakPolarHBondContact CG-O 3.27Å; S58-R60 WeakPolarHBondContact O-CG 3.32Å; S58-R60 PolarHBondContact O-N 2.9Å; R60-D64 PolarHBondContact N-OD2 3.09Å
61M89.5Confident75.8Confident83 Ų8378 Ų7841%0.40940%0.399SS..SBendtrans-147.8169.7178.360.8-170.877.600110.6F21 E63 D64F21-M61 VanDerWaalsContact CE2-C 3.43Å; F21-M61 VanDerWaalsContact CZ-C 3.42Å; F21-M61 WeakPolarHBondContact CZ-O 3.2Å; M61-E63 HydrophobicContact CG-CB 4.33Å; M61-E63 PolarHBondContact O-N 2.84Å; M61-D64 PolarHBondContact N-OD2 3.18Å; M61-D64 PolarHBondContact O-N 3.36Å
62I91.3Very high77.6Confident0 Ų074.5 Ų74.50%038%0.384CS..G310 helixtrans-60.5-34.3-176-59.8173.7000111.9F21 D64 L65 L92 V94 E98 H102 H105 I106F21-I62 HydrophobicContact CE2-CB 4.43Å; F21-I62 HydrophobicContact CE2-CG1 3.69Å; F21-I62 HydrophobicContact CZ-CG1 4.41Å; I62-D64 VanDerWaalsContact C-N 3.27Å; I62-D64 PolarHBondContact O-N 2.9Å; I62-L65 HydrophobicContact CG2-CD1 4.43Å; I62-L65 WeakPolarHBondContact O-CB 3.44Å; I62-L65 WeakPolarHBondContact O-CG 3.26Å; I62-L65 PolarHBondContact O-N 3.03Å; I62-L92 HydrophobicContact CD1-CD1 4.4Å; I62-V94 HydrophobicContact CD1-CG2 4.46Å; I62-V94 HydrophobicContact CG1-CG1 4.49Å; I62-E98 HydrophobicContact CD1-CG 4.11Å; I62-H102 HydrophobicContact CB-CB 4.06Å; I62-H102 HydrophobicContact CD1-CB 4.16Å; I62-H102 HydrophobicContact CG2-CB 3.58Å; I62-H105 PolarHBondContact O-CD2 3.22Å; I62-H105 VanDerWaalsContact O-CD2 3.24Å; I62-I106 HydrophobicContact CD1-CD1 4.39Å; I62-I106 HydrophobicContact CG2-CD1 4.16Å; I62-I106 HydrophobicContact CG2-CG1 3.89Å
63E90.2Very high79.9Confident121 Ų12170 Ų7057%0.56535%0.354SS*.G310 helixtrans-65-28.5-179-59.8-173.4162.200113.4M61 L65 H102M61-E63 HydrophobicContact CG-CB 4.33Å; M61-E63 PolarHBondContact O-N 2.84Å; E63-L65 PolarHBondContact O-N 3.31Å; E63-H102 VanDerWaalsContact CG-CD2 3.49Å; E63-H102 WeakPolarHBondContact CG-CD2 3.37Å; E63-H102 WeakPolarHBondContact CG-NE2 3.49Å; E63-H102 IonicContact OE1-CD2 3.44Å; E63-H102 IonicContact OE1-NE2 2.92Å; E63-H102 PolarHBondContact OE1-NE2 3.3Å
64D89.8Confident82Confident83 Ų8365 Ų6544%0.44432%0.322SS..G310 helixtrans-72.8-11.7179.9-60.6-28.1000112.5P59 R60 M61 I62 S66P59-D64 HydrophobicContact CB-CB 3.66Å; R60-D64 PolarHBondContact N-OD2 3.09Å; M61-D64 PolarHBondContact N-OD2 3.18Å; M61-D64 PolarHBondContact O-N 3.36Å; I62-D64 VanDerWaalsContact C-N 3.27Å; I62-D64 PolarHBondContact O-N 2.9Å; D64-S66 PolarHBondContact O-N 3.24Å
65L91.4Very high83.9Confident6 Ų665.7 Ų65.73%0.03132%0.319CS..  trans-72.6113.9-175.6-64.5-178.7000111.5F21 C23 P59 I62 E63 E67 I70 L92 H105 I109F21-L65 HydrophobicContact CE1-CD2 4.04Å; F21-L65 HydrophobicContact CZ-CD1 4.05Å; F21-L65 HydrophobicContact CZ-CD2 4Å; F21-L65 HydrophobicContact CZ-CG 4.04Å; C23-L65 HydrophobicContact CB-CD1 4.11Å; C23-L65 HydrophobicContact CB-CD2 3.68Å; P59-L65 HydrophobicContact CB-CD2 3.88Å; P59-L65 HydrophobicContact CG-CD2 3.9Å; I62-L65 HydrophobicContact CG2-CD1 4.43Å; I62-L65 WeakPolarHBondContact O-CB 3.44Å; I62-L65 WeakPolarHBondContact O-CG 3.26Å; I62-L65 PolarHBondContact O-N 3.03Å; E63-L65 PolarHBondContact O-N 3.31Å; L65-E67 PolarHBondContact O-N 3.5Å; L65-I70 HydrophobicContact CB-CD1 3.99Å; L65-I70 HydrophobicContact CD1-CD1 4.43Å; L65-I70 HydrophobicContact CD2-CD1 4.38Å; L65-L92 HydrophobicContact CD1-CD2 4Å; L65-H105 PolarHBondContact O-CE1 3.39Å; L65-H105 PolarHBondContact O-NE2 3.41Å; L65-I109 HydrophobicContact CB-CD1 3.79Å; L65-I109 HydrophobicContact CD1-CD1 4.02Å
66S91.4Very high85.9Confident51 Ų5160 Ų6036%0.35730%0.301SS..  trans-74.4115.4174170.40000111.8D64 K68 W69 I70D64-S66 PolarHBondContact O-N 3.24Å; S66-K68 VanDerWaalsContact C-N 3.27Å; S66-K68 PolarHBondContact O-N 3.04Å; S66-W69 PolarHBondContact O-N 2.91Å; S66-W69 WeakPolarHBondContact OG-CB 3.42Å; S66-W69 PolarHBondContact OG-N 3.33Å; S66-I70 WeakPolarHBondContact O-CG1 3.45Å; S66-I70 PolarHBondContact O-N 3.31Å; S66-I70 VanDerWaalsContact O-N 3.07Å
67E90.7Very high87.8Confident41 Ų4157.2 Ų57.219%0.19228%0.282CS..Hα-helixtrans-54.8-42.5176-60.6169.6-16100112L65 A71 H105 K108 I109 H112L65-E67 PolarHBondContact O-N 3.5Å; E67-A71 WeakPolarHBondContact O-CB 3.43Å; E67-A71 PolarHBondContact O-N 2.79Å; E67-A71 VanDerWaalsContact O-N 3.16Å; E67-H105 IonicContact OE1-CE1 2.79Å; E67-H105 IonicContact OE1-ND1 3.16Å; E67-K108 VanDerWaalsContact CD-CB 3.41Å; E67-K108 HydrophobicContact CG-CB 4.18Å; E67-K108 VanDerWaalsContact OE1-CB 3.31Å; E67-K108 WeakPolarHBondContact OE1-CB 3.31Å; E67-K108 WeakPolarHBondContact OE1-CD 3.29Å; E67-I109 HydrophobicContact CB-CG1 4.39Å; E67-I109 HydrophobicContact CG-CG1 3.76Å; E67-H112 IonicContact OE2-CD2 3.45Å; E67-H112 PolarHBondContact OE2-CD2 2.8Å; E67-H112 IonicContact OE2-NE2 3.9Å; E67-H112 PolarHBondContact OE2-NE2 3.39Å
68K90Very high89.3Confident166 Ų16653.7 Ų53.772%0.72226%0.262SS*.Hα-helixtrans-71.3-41.4-178.6-67.4-178.5-178.4176.10112.1S66 A71 S72S66-K68 VanDerWaalsContact C-N 3.27Å; S66-K68 PolarHBondContact O-N 3.04Å; K68-A71 PolarHBondContact O-N 3.03Å; K68-S72 WeakPolarHBondContact O-CB 3.48Å; K68-S72 PolarHBondContact O-N 3.33Å
69W91.2Very high90.1Very high33 Ų3353.4 Ų53.413%0.12526%0.255CS..Hα-helixtrans-64.6-47.3179.5-179.4-119.8000111.1P44 K45 D46 T48 S66 A71 S72 H73P44-W69 HydrophobicContact CG-CZ2 3.94Å; P44-W69 PolarHBondContact O-NE1 3.44Å; K45-W69 WeakPolarHBondContact O-CZ2 3.38Å; D46-W69 HydrophobicContact CB-CD2 3.93Å; D46-W69 HydrophobicContact CB-CE3 4.46Å; D46-W69 HydrophobicContact CB-CG 4.03Å; D46-W69 HydrophobicContact CB-CZ2 4.45Å; T48-W69 HydrophobicContact CG2-CH2 4.16Å; T48-W69 HydrophobicContact CG2-CZ3 3.91Å; S66-W69 PolarHBondContact O-N 2.91Å; S66-W69 WeakPolarHBondContact OG-CB 3.42Å; S66-W69 PolarHBondContact OG-N 3.33Å; W69-A71 VanDerWaalsContact C-N 3.34Å; W69-A71 PolarHBondContact O-N 2.82Å; W69-S72 WeakPolarHBondContact O-CB 3.47Å; W69-S72 PolarHBondContact O-N 2.96Å; W69-S72 VanDerWaalsContact O-N 3.11Å; W69-H73 PolarHBondContact O-N 3.15Å
70I93.3Very high90.6Very high1 Ų151.6 Ų51.61%0.00524%0.243CC..Hα-helixtrans-59.6-45.6177.8-65174.6000110.7I43 L65 S66 S72 H73 C74 I90 I109 I113I43-I70 HydrophobicContact CD1-CD1 3.97Å; I43-I70 HydrophobicContact CD1-CG1 3.77Å; I43-I70 HydrophobicContact CD1-CG2 4.35Å; L65-I70 HydrophobicContact CB-CD1 3.99Å; L65-I70 HydrophobicContact CD1-CD1 4.43Å; L65-I70 HydrophobicContact CD2-CD1 4.38Å; S66-I70 WeakPolarHBondContact O-CG1 3.45Å; S66-I70 PolarHBondContact O-N 3.31Å; S66-I70 VanDerWaalsContact O-N 3.07Å; I70-S72 VanDerWaalsContact C-N 3.33Å; I70-S72 PolarHBondContact O-N 3.31Å; I70-H73 PolarHBondContact O-N 2.94Å; I70-C74 WeakPolarHBondContact O-CB 3.34Å; I70-C74 PolarHBondContact O-N 2.84Å; I70-C74 PolarHBondContact O-SG 3.48Å; I70-I90 HydrophobicContact CG2-CG2 4.39Å; I70-I109 HydrophobicContact CB-CG2 4.2Å; I70-I109 HydrophobicContact CD1-CD1 4.05Å; I70-I109 HydrophobicContact CD1-CG1 4.41Å; I70-I109 HydrophobicContact CD1-CG2 3.76Å; I70-I109 HydrophobicContact CG2-CG2 3.85Å; I70-I113 HydrophobicContact CG2-CD1 4.04Å; I70-I113 HydrophobicContact CG2-CG1 4.28Å
71A91.2Very high91.1Very high11 Ų1143.3 Ų43.39%0.09121%0.212CC..Hα-helixtrans-64-37.5176.500000112.8E67 K68 W69 C74 R75 H112E67-A71 WeakPolarHBondContact O-CB 3.43Å; E67-A71 PolarHBondContact O-N 2.79Å; E67-A71 VanDerWaalsContact O-N 3.16Å; K68-A71 PolarHBondContact O-N 3.03Å; W69-A71 VanDerWaalsContact C-N 3.34Å; W69-A71 PolarHBondContact O-N 2.82Å; A71-C74 PolarHBondContact O-N 3.2Å; A71-R75 WeakPolarHBondContact O-CG 3.33Å; A71-R75 PolarHBondContact O-N 3.12Å; A71-H112 HydrophobicContact CB-CB 3.91Å
72S89.4Confident91.4Very high35 Ų3539.3 Ų39.325%0.24519%0.192CC..Hα-helixtrans-61.4-47.3173.7-159.30000111.6K68 W69 I70 C74 R75 N76K68-S72 WeakPolarHBondContact O-CB 3.48Å; K68-S72 PolarHBondContact O-N 3.33Å; W69-S72 WeakPolarHBondContact O-CB 3.47Å; W69-S72 PolarHBondContact O-N 2.96Å; W69-S72 VanDerWaalsContact O-N 3.11Å; I70-S72 VanDerWaalsContact C-N 3.33Å; I70-S72 PolarHBondContact O-N 3.31Å; S72-C74 PolarHBondContact O-N 2.94Å; S72-R75 PolarHBondContact O-N 3.35Å; S72-N76 PolarHBondContact O-N 2.84Å; S72-N76 VanDerWaalsContact O-N 3.07Å
73H92.9Very high91.6Very high2 Ų239.4 Ų39.41%0.00919%0.193CC..Hα-helixtrans-62.1-42.1176.8-176.366.5000112.2P44 W69 I70 R75 N76 L77 F434P44-H73 WeakPolarHBondContact CD-CE1 3.44Å; P44-H73 WeakPolarHBondContact CD-ND1 3.25Å; W69-H73 PolarHBondContact O-N 3.15Å; I70-H73 PolarHBondContact O-N 2.94Å; H73-R75 VanDerWaalsContact C-N 3.33Å; H73-R75 PolarHBondContact O-N 2.8Å; H73-N76 WeakPolarHBondContact O-CB 3.06Å; H73-N76 PolarHBondContact O-N 2.89Å; H73-N76 VanDerWaalsContact O-N 3.15Å; H73-L77 WeakPolarHBondContact NE2-CD1 3.5Å; H73-L77 PolarHBondContact O-N 2.86Å; H73-F434 PolarHBondContact CE1-O 3.25Å; H73-F434 AromaticContact ND1-CD1 3.84Å
74C93Very high91.7Very high5 Ų535 Ų353%0.03418%0.18CC..Hα-helixtrans-57.1-43.4172.6-74.50000112.3I70 A71 S72 N76 L77 A78 I87 I113I70-C74 WeakPolarHBondContact O-CB 3.34Å; I70-C74 PolarHBondContact O-N 2.84Å; I70-C74 PolarHBondContact O-SG 3.48Å; A71-C74 PolarHBondContact O-N 3.2Å; S72-C74 PolarHBondContact O-N 2.94Å; C74-N76 VanDerWaalsContact C-N 3.33Å; C74-N76 PolarHBondContact O-N 2.88Å; C74-L77 PolarHBondContact O-N 3.01Å; C74-A78 WeakPolarHBondContact O-CB 3.41Å; C74-A78 PolarHBondContact O-N 3.13Å; C74-I87 HydrophobicContact CB-CD1 3.57Å; C74-I87 WeakPolarHBondContact O-CD1 3.43Å; C74-I113 HydrophobicContact CB-CG2 4.27Å
75R88.8Confident92Very high149 Ų14931.3 Ų31.356%0.56216%0.16SC*.Hα-helixtrans-63.2-39.8176.1-70.9-178.2-62.81794.3112.1A71 S72 H73 L77 A78A71-R75 WeakPolarHBondContact O-CG 3.33Å; A71-R75 PolarHBondContact O-N 3.12Å; S72-R75 PolarHBondContact O-N 3.35Å; H73-R75 VanDerWaalsContact C-N 3.33Å; H73-R75 PolarHBondContact O-N 2.8Å; R75-L77 VanDerWaalsContact C-N 3.33Å; R75-L77 PolarHBondContact O-N 3.48Å; R75-A78 PolarHBondContact O-N 3.13Å
76N89Confident92.1Very high51 Ų5132.9 Ų32.927%0.27317%0.168SC..Hα-helixtrans-65.5-34.5175.4-71.9-12.4000112.8S72 H73 C74 R79 F434S72-N76 PolarHBondContact O-N 2.84Å; S72-N76 VanDerWaalsContact O-N 3.07Å; H73-N76 WeakPolarHBondContact O-CB 3.06Å; H73-N76 PolarHBondContact O-N 2.89Å; H73-N76 VanDerWaalsContact O-N 3.15Å; C74-N76 VanDerWaalsContact C-N 3.33Å; C74-N76 PolarHBondContact O-N 2.88Å; N76-R79 WeakPolarHBondContact O-CD 3.44Å; N76-R79 VanDerWaalsContact O-CG 3.24Å; N76-R79 WeakPolarHBondContact O-CG 3.33Å; N76-R79 PolarHBondContact O-NE 3.49Å; N76-R79 VanDerWaalsContact O-NE 3.07Å; N76-F434 HydrophobicContact CB-CD1 4.29Å; N76-F434 VanDerWaalsContact ND2-CE1 3.34Å; N76-F434 WeakPolarHBondContact ND2-CE1 3.13Å
77L92.7Very high92.2Very high1 Ų131 Ų311%0.00515%0.154CC..Hα-helixtrans-74.7-35.5173.4-77.7175.3000112.6V25 I41 H73 C74 R75 R79 M80 I81 I87 F434 C435V25-L77 HydrophobicContact CB-CD1 3.9Å; V25-L77 HydrophobicContact CG1-CD1 3.89Å; V25-L77 HydrophobicContact CG2-CD1 4.36Å; I41-L77 HydrophobicContact CB-CD1 4.15Å; I41-L77 HydrophobicContact CG1-CD1 4.42Å; I41-L77 HydrophobicContact CG1-CD2 4.44Å; I41-L77 HydrophobicContact CG2-CD1 3.98Å; I41-L77 HydrophobicContact CG2-CD2 4.24Å; H73-L77 WeakPolarHBondContact NE2-CD1 3.5Å; H73-L77 PolarHBondContact O-N 2.86Å; C74-L77 PolarHBondContact O-N 3.01Å; R75-L77 VanDerWaalsContact C-N 3.33Å; R75-L77 PolarHBondContact O-N 3.48Å; L77-R79 PolarHBondContact O-N 2.96Å; L77-M80 HydrophobicContact CD2-SD 4.11Å; L77-M80 VanDerWaalsContact O-CB 3.32Å; L77-M80 WeakPolarHBondContact O-CB 3.38Å; L77-M80 PolarHBondContact O-N 3.12Å; L77-I81 PolarHBondContact O-N 3.4Å; L77-I87 HydrophobicContact CB-CD1 4.38Å; L77-F434 VanDerWaalsContact CD2-O 3.27Å; L77-F434 WeakPolarHBondContact CD2-O 3.4Å; L77-C435 HydrophobicContact CD2-CB 4.39Å
78A90.6Very high92.4Very high23 Ų2329.2 Ų29.219%0.1915%0.145CC..Hα-helixtrans-58.2-36.2-177.800000111.8C74 R75 M80 I81 I87 R371C74-A78 WeakPolarHBondContact O-CB 3.41Å; C74-A78 PolarHBondContact O-N 3.13Å; R75-A78 PolarHBondContact O-N 3.13Å; A78-M80 PolarHBondContact O-N 3.26Å; A78-I81 WeakPolarHBondContact O-CG1 3.42Å; A78-I81 PolarHBondContact O-N 2.85Å; A78-I87 HydrophobicContact CB-CD1 4.38Å; A78-R371 WeakPolarHBondContact O-CD 3.49Å
79R89.6Confident92.6Very high38 Ų3821.3 Ų21.314%0.14311%0.111CC..THydrogen-bonded Turntrans-67.5-18.3176.780-157.1171.4114.87.8114N76 L77 A375 D416 Y417N76-R79 WeakPolarHBondContact O-CD 3.44Å; N76-R79 VanDerWaalsContact O-CG 3.24Å; N76-R79 WeakPolarHBondContact O-CG 3.33Å; N76-R79 PolarHBondContact O-NE 3.49Å; N76-R79 VanDerWaalsContact O-NE 3.07Å; L77-R79 PolarHBondContact O-N 2.96Å; R79-A375 HydrophobicContact CB-CB 3.91Å; R79-D416 IonicContact CZ-OD1 2.6Å; R79-D416 IonicContact NH2-OD1 2.74Å; R79-Y417 HydrophobicContact CB-CE2 4.17Å; R79-Y417 HydrophobicContact CG-CE2 4.21Å; R79-Y417 WeakPolarHBondContact O-CE2 3.41Å; R79-Y417 PolarHBondContact O-OH 3.32Å
80M92.1Very high92.9Very high4 Ų419.7 Ų19.72%0.0211%0.105CC..THydrogen-bonded Turntrans-92.7-17.8-175.5-58.9179.764.300113.4L77 A78 L414 S415 L431 C435L77-M80 HydrophobicContact CD2-SD 4.11Å; L77-M80 VanDerWaalsContact O-CB 3.32Å; L77-M80 WeakPolarHBondContact O-CB 3.38Å; L77-M80 PolarHBondContact O-N 3.12Å; A78-M80 PolarHBondContact O-N 3.26Å; M80-L414 CarbonylContact O-C 3.59Å; M80-L414 WeakPolarHBondContact O-CA 3.47Å; M80-S415 VanDerWaalsContact CA-O 3.23Å; M80-S415 WeakPolarHBondContact CA-O 3.28Å; M80-S415 WeakPolarHBondContact CB-O 3.47Å; M80-S415 WeakPolarHBondContact CE-O 3.15Å; M80-S415 WeakPolarHBondContact CG-O 3.11Å; M80-S415 PolarHBondContact O-N 3.05Å; M80-L431 HydrophobicContact CE-CD2 3.24Å; M80-C435 HydrophobicContact CE-CB 3.77Å; M80-C435 HydrophobicContact SD-CB 4.35Å
81I94.5Very high93Very high5 Ų519.7 Ų19.73%0.02611%0.105CC..SBendtrans-89.7140.6-173.952.2169.5000111.9I27 L77 A78 V85 R371 L414I27-I81 HydrophobicContact CD1-CG2 4.06Å; I27-I81 HydrophobicContact CG1-CG2 4.46Å; I27-I81 HydrophobicContact CG2-CG2 3.91Å; L77-I81 PolarHBondContact O-N 3.4Å; A78-I81 WeakPolarHBondContact O-CG1 3.42Å; A78-I81 PolarHBondContact O-N 2.85Å; I81-V85 HydrophobicContact CB-CB 4.4Å; I81-V85 HydrophobicContact CB-CG1 4.13Å; I81-V85 HydrophobicContact CG2-CG1 4.17Å; I81-R371 PolarHBondContact O-NH1 3.44Å; I81-L414 HydrophobicContact CG2-CD2 3.95Å
82P95.7Very high93.2Very high0 Ų019.2 Ų19.20%010%0.101CC..PPolyproline II helixtrans-73.1170.4178.233.1-37.3000112V85 I349 F351 D368 L412 P413P82-V85 HydrophobicContact CG-CB 4.16Å; P82-V85 HydrophobicContact CG-CG2 3.76Å; P82-V85 PolarHBondContact O-N 2.86Å; P82-I349 HydrophobicContact CB-CB 4.12Å; P82-I349 HydrophobicContact CB-CG2 3.62Å; P82-F351 HydrophobicContact CB-CB 4.48Å; P82-F351 HydrophobicContact CG-CB 3.86Å; P82-D368 WeakPolarHBondContact CA-OD1 3.43Å; P82-L412 HydrophobicContact CG-CD1 4.26Å; P82-P413 HydrophobicContact CB-CG 4.41Å; P82-P413 WeakPolarHBondContact CD-O 3.46Å; P82-P413 HydrophobicContact CG-CG 4.16Å; P82-P413 WeakPolarHBondContact CG-O 3.42Å
83G95.2Very high93.5Very high1 Ų117.7 Ų17.71%0.019%0.09CC..BIsolated β-bridgetrans-57.6143.7170.200000112.2V85 I349 A350 F351 A364 D368G83-V85 PolarHBondContact O-N 3.24Å; G83-I349 PolarHBondContact N-O 3.07Å; G83-A350 CarbonylContact O-C 3.44Å; G83-A350 WeakPolarHBondContact O-CA 3.38Å; G83-F351 PolarHBondContact O-N 3Å; G83-A364 VanDerWaalsContact CA-O 3.29Å; G83-A364 WeakPolarHBondContact CA-O 3.32Å; G83-D368 PolarHBondContact N-OD1 2.98Å
84G93.8Very high93.5Very high29 Ų2917.7 Ų17.730%0.2999%0.09SC..THydrogen-bonded Turntrans84.4-12.6-176.500000114.8
85V95.1Very high93.3Very high5 Ų519.6 Ų19.63%0.0310%0.102CC..EExtended strand (participates in β ladder)trans-107.3147.8176.8-178.40000109.4I27 G28 F38 I81 P82 G83 F351 L412I27-V85 HydrophobicContact CG2-CG1 3.34Å; G28-V85 WeakPolarHBondContact O-CG1 3.44Å; F38-V85 HydrophobicContact CD2-CG1 4.15Å; F38-V85 HydrophobicContact CE2-CG1 4.07Å; F38-V85 HydrophobicContact CE2-CG2 3.93Å; I81-V85 HydrophobicContact CB-CB 4.4Å; I81-V85 HydrophobicContact CB-CG1 4.13Å; I81-V85 HydrophobicContact CG2-CG1 4.17Å; P82-V85 HydrophobicContact CG-CB 4.16Å; P82-V85 HydrophobicContact CG-CG2 3.76Å; P82-V85 PolarHBondContact O-N 2.86Å; G83-V85 PolarHBondContact O-N 3.24Å; V85-F351 HydrophobicContact CG2-CB 3.9Å; V85-F351 HydrophobicContact CG2-CD1 3.89Å; V85-F351 HydrophobicContact CG2-CG 4.4Å; V85-L412 HydrophobicContact CG1-CD1 4.32Å; V85-L412 HydrophobicContact CG2-CD1 3.88Å
86H93.2Very high93.2Very high39 Ų3914.4 Ų14.418%0.1818%0.084CC..EExtended strand (participates in β ladder)trans-150.7169.6-179.562.8-68.1000112.2G28 E35 S88G28-H86 PolarHBondContact N-O 3.09Å; G28-H86 PolarHBondContact O-N 3.41Å; G28-H86 PolarHBondContact O-ND1 2.63Å; G28-H86 VanDerWaalsContact O-O 3.12Å; E35-H86 IonicContact OE1-CE1 3.11Å; E35-H86 PolarHBondContact OE1-CE1 3.08Å; E35-H86 IonicContact OE1-NE2 3.44Å; E35-H86 PolarHBondContact OE1-NE2 2.89Å; E35-H86 IonicContact OE2-CE1 3.59Å; E35-H86 IonicContact OE2-NE2 2.73Å; H86-S88 PolarHBondContact O-N 2.93Å
87I94.3Very high93Very high13 Ų1314.4 Ų14.47%0.06710%0.097CC..EExtended strand (participates in β ladder)trans-79.5104.3170.8-61.7177.3000108.2V25 C74 L77 A78 I113 K131V25-I87 HydrophobicContact CG1-CD1 4.39Å; V25-I87 HydrophobicContact CG1-CG1 4.37Å; V25-I87 HydrophobicContact CG1-CG2 3.58Å; C74-I87 HydrophobicContact CB-CD1 3.57Å; C74-I87 WeakPolarHBondContact O-CD1 3.43Å; L77-I87 HydrophobicContact CB-CD1 4.38Å; A78-I87 HydrophobicContact CB-CD1 4.38Å; I87-I113 HydrophobicContact CG2-CG2 3.98Å; I87-K131 PolarHBondContact O-NZ 3.18Å
88S94.4Very high92.8Very high2 Ų217.1 Ų17.11%0.01411%0.109CC..EExtended strand (participates in β ladder)trans-75.4-26.2-177.7-49.70000111.8I26 G28 E35 H86 K131 L132I26-S88 PolarHBondContact O-N 3.02Å; G28-S88 WeakPolarHBondContact CA-OG 3.5Å; G28-S88 PolarHBondContact N-OG 3.11Å; E35-S88 WeakPolarHBondContact OE1-CB 3.2Å; E35-S88 PolarHBondContact OE1-OG 3.29Å; H86-S88 PolarHBondContact O-N 2.93Å; S88-K131 CarbonylContact O-C 3.57Å; S88-K131 WeakPolarHBondContact O-CA 3.44Å; S88-L132 PolarHBondContact O-N 3.32Å
89G94.8Very high92.7Very high0 Ų016 Ų160%010%0.1CC..EExtended strand (participates in β ladder)trans156.1-145.7179.600000113.6I26 L132I26-G89 PolarHBondContact N-O 3.42Å; G89-L132 CarbonylContact C-O 3.55Å; G89-L132 VanDerWaalsContact CA-O 3.24Å; G89-L132 WeakPolarHBondContact CA-O 3.42Å
90I96.4Very high92.5Very high0 Ų018.2 Ų18.20%012%0.115CC..EExtended strand (participates in β ladder)trans-123.8153.1178.665.4173.5000112G24 I26 I70 I106 I109 L110 I113 L132 V133 L134G24-I90 CarbonylContact O-C 3.5Å; G24-I90 WeakPolarHBondContact O-CA 3.49Å; G24-I90 WeakPolarHBondContact O-CB 3.14Å; I26-I90 VanDerWaalsContact CD1-C 3.44Å; I26-I90 VanDerWaalsContact CD1-O 3.29Å; I26-I90 WeakPolarHBondContact CD1-O 3.35Å; I70-I90 HydrophobicContact CG2-CG2 4.39Å; I90-I106 HydrophobicContact CD1-CG2 4.24Å; I90-I109 HydrophobicContact CD1-CG2 4.35Å; I90-L110 HydrophobicContact CG1-CD2 4.2Å; I90-I113 HydrophobicContact CG2-CD1 3.72Å; I90-L132 PolarHBondContact N-O 2.78Å; I90-V133 HydrophobicContact CG1-CG1 4.16Å; I90-V133 HydrophobicContact CG1-CG2 4.25Å; I90-V133 VanDerWaalsContact O-CA 3.32Å; I90-V133 WeakPolarHBondContact O-CA 3.36Å; I90-L134 PolarHBondContact O-N 3.18Å
91C96.3Very high92.3Very high1 Ų122.6 Ų22.61%0.00715%0.146CC..EExtended strand (participates in β ladder)trans-113.6145.8168.559.40000111.1L15 C23 G24 I26 L134L15-C91 HydrophobicContact CD1-CB 4.38Å; L15-C91 HydrophobicContact CD2-CB 4.45Å; C23-C91 WeakPolarHBondContact CA-O 3.05Å; G24-C91 PolarHBondContact N-O 3.19Å; G24-C91 PolarHBondContact O-N 3.18Å; I26-C91 HydrophobicContact CD1-CB 3.85Å; I26-C91 HydrophobicContact CG1-CB 3.89Å; C91-L134 CarbonylContact C-O 3.6Å; C91-L134 WeakPolarHBondContact CA-O 3.44Å; C91-L134 HydrophobicContact CB-CB 4.2Å
92L95.8Very high92.1Very high1 Ų124 Ų241%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-129.8132.8179.5-61.9171.2000109.8F21 R22 C23 I62 L65 V94 F99 I106 V133 L134 V135 A136F21-L92 HydrophobicContact CZ-CD2 4.46Å; R22-L92 WeakPolarHBondContact O-CA 3.45Å; C23-L92 HydrophobicContact CB-CD2 3.85Å; C23-L92 WeakPolarHBondContact SG-CD2 3.34Å; I62-L92 HydrophobicContact CD1-CD1 4.4Å; L65-L92 HydrophobicContact CD1-CD2 4Å; L92-V94 HydrophobicContact CB-CG2 3.99Å; L92-F99 HydrophobicContact CD1-CD2 4.28Å; L92-I106 HydrophobicContact CD1-CD1 3.91Å; L92-V133 HydrophobicContact CD1-CG1 3.98Å; L92-V133 HydrophobicContact CG-CG1 4.45Å; L92-L134 PolarHBondContact N-O 3Å; L92-V135 WeakPolarHBondContact O-CA 3.36Å; L92-A136 PolarHBondContact O-N 3.27Å
93T94.8Very high91.8Very high2 Ų225.8 Ų25.81%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-98.486.2170.856.30000109.5V18 E20 F21 R22 A136 L438V18-T93 HydrophobicContact CB-CG2 4.08Å; V18-T93 HydrophobicContact CG1-CG2 4.03Å; E20-T93 PolarHBondContact O-OG1 3.2Å; F21-T93 WeakPolarHBondContact CA-O 3.49Å; R22-T93 WeakPolarHBondContact CA-OG1 3.42Å; R22-T93 WeakPolarHBondContact CB-OG1 3.27Å; R22-T93 PolarHBondContact N-OG1 2.82Å; R22-T93 PolarHBondContact O-N 2.97Å; R22-T93 PolarHBondContact O-OG1 3.35Å; T93-A136 CarbonylContact C-O 3.56Å; T93-A136 VanDerWaalsContact CA-O 3.32Å; T93-A136 WeakPolarHBondContact CA-O 3.44Å; T93-A136 HydrophobicContact CG2-CB 4.43Å; T93-L438 HydrophobicContact CG2-CD2 4.31Å
94V93.3Very high91.6Very high2 Ų230.4 Ų30.41%0.01219%0.188CC..SBendtrans-145.4152-173.7-65.20000112F21 I62 L92 H96 V135 A136 D137F21-V94 HydrophobicContact CD2-CG1 3.26Å; F21-V94 HydrophobicContact CE2-CG1 3.58Å; F21-V94 HydrophobicContact CG-CG1 4.39Å; I62-V94 HydrophobicContact CD1-CG2 4.46Å; I62-V94 HydrophobicContact CG1-CG1 4.49Å; L92-V94 HydrophobicContact CB-CG2 3.99Å; V94-H96 PolarHBondContact O-N 2.69Å; V94-V135 HydrophobicContact CG2-CG1 3.77Å; V94-A136 PolarHBondContact N-O 3.25Å; V94-D137 WeakPolarHBondContact O-CA 3.45Å
95P89.9Confident91.5Very high45 Ų4531 Ų3129%0.29218%0.183SC..  trans-56.4138.5168.7-22.233.7000111.4G97 E98 D137P95-G97 PolarHBondContact O-N 2.79Å; P95-E98 WeakPolarHBondContact O-CB 3.32Å; P95-E98 PolarHBondContact O-N 3.15Å; P95-D137 WeakPolarHBondContact CA-OD2 3.24Å
96H85.2Confident91.4Very high40 Ų4030.8 Ų30.819%0.18518%0.182CC..Hα-helixtrans-55.8-29.6-174.2-69.8-62.1000114.9V94 E98 N100 D137V94-H96 PolarHBondContact O-N 2.69Å; H96-E98 VanDerWaalsContact C-N 3.31Å; H96-E98 PolarHBondContact O-N 2.78Å; H96-N100 PolarHBondContact O-ND2 2.69Å; H96-D137 VanDerWaalsContact CD2-CB 3.49Å; H96-D137 WeakPolarHBondContact CD2-CB 3.5Å; H96-D137 IonicContact CD2-OD2 3.43Å; H96-D137 PolarHBondContact CD2-OD2 3Å; H96-D137 IonicContact CG-OD2 3.6Å; H96-D137 PolarHBondContact N-OD2 2.87Å; H96-D137 VanDerWaalsContact N-OD2 3.13Å; H96-D137 VanDerWaalsContact NE2-CB 3.34Å; H96-D137 WeakPolarHBondContact NE2-CB 3.27Å; H96-D137 IonicContact NE2-OD2 3.53Å
97G85.2Confident91.2Very high52 Ų5229.5 Ų29.554%0.53618%0.176SC..Hα-helixtrans-63.8-34.5177.900000113.4P95 N100P95-G97 PolarHBondContact O-N 2.79Å; G97-N100 PolarHBondContact O-N 2.79Å
98E88.3Confident91Very high57 Ų5734.4 Ų34.427%0.26620%0.196SC..Hα-helixtrans-72.5-36.1-173.3-167179.515400112.5I62 P95 H96 N100 S101 H102I62-E98 HydrophobicContact CD1-CG 4.11Å; P95-E98 WeakPolarHBondContact O-CB 3.32Å; P95-E98 PolarHBondContact O-N 3.15Å; H96-E98 VanDerWaalsContact C-N 3.31Å; H96-E98 PolarHBondContact O-N 2.78Å; E98-N100 VanDerWaalsContact C-N 3.27Å; E98-N100 PolarHBondContact O-N 3.16Å; E98-S101 PolarHBondContact O-N 2.94Å; E98-H102 PolarHBondContact O-ND1 2.83Å
99F88.2Confident90.9Very high0 Ų034.3 Ų34.30%020%0.196CC..Hα-helixtrans-55.6-43.3175.2170.1-84.9000111.9L92 S101 H102 T103 I106 V133 V135 K146 F157L92-F99 HydrophobicContact CD1-CD2 4.28Å; F99-S101 PolarHBondContact O-N 3.33Å; F99-H102 PolarHBondContact O-N 2.77Å; F99-T103 HydrophobicContact CD1-CG2 4.42Å; F99-T103 HydrophobicContact CE1-CG2 3.78Å; F99-T103 HydrophobicContact CZ-CG2 4.23Å; F99-I106 HydrophobicContact CD2-CD1 3.4Å; F99-I106 HydrophobicContact CE2-CD1 3.37Å; F99-I106 HydrophobicContact CE2-CG2 4.37Å; F99-I106 HydrophobicContact CG-CD1 4.37Å; F99-I106 HydrophobicContact CZ-CD1 4.28Å; F99-V133 HydrophobicContact CD2-CG1 4.14Å; F99-V133 HydrophobicContact CE2-CB 4.09Å; F99-V133 HydrophobicContact CE2-CG1 3.65Å; F99-V133 HydrophobicContact CE2-CG2 4.46Å; F99-V135 HydrophobicContact CB-CG2 4.1Å; F99-V135 HydrophobicContact CD2-CG2 3.58Å; F99-V135 HydrophobicContact CE2-CG2 4.28Å; F99-V135 HydrophobicContact CG-CG2 3.88Å; F99-K146 HydrophobicContact CD1-CD 4.05Å; F99-K146 HydrophobicContact CE1-CD 3.22Å; F99-K146 HydrophobicContact CZ-CD 3.49Å; F99-K146 VanDerWaalsContact CZ-CD 3.49Å; F99-F157 HydrophobicContact CE1-CD2 4.49Å; F99-F157 HydrophobicContact CZ-CD2 4.02Å; F99-F157 AromaticContact CZ-CE2 3.92Å; F99-F157 HydrophobicContact CZ-CE2 3.92Å; F99-F157 HydrophobicContact CZ-CG 4.45Å; F99-F157 HydrophobicContact CZ-CZ 4.27Å
100N86Confident90.8Very high85 Ų8534.4 Ų34.446%0.45520%0.196SC..Hα-helixtrans-68.8-22.5-173.6-64.4-46.2000112.7H96 G97 E98 K146H96-N100 PolarHBondContact O-ND2 2.69Å; G97-N100 PolarHBondContact O-N 2.79Å; E98-N100 VanDerWaalsContact C-N 3.27Å; E98-N100 PolarHBondContact O-N 3.16Å; N100-K146 PolarHBondContact OD1-NZ 3.25Å
101S87.8Confident90.3Very high96 Ų9636.7 Ų36.767%0.67121%0.212SC*.Hα-helixtrans-78.1-20.1177-57.20000113.2E98 F99E98-S101 PolarHBondContact O-N 2.94Å; F99-S101 PolarHBondContact O-N 3.33Å
102H90.9Very high89.8Confident34 Ų3439 Ų3916%0.15722%0.223CC..SBendtrans-120.921-169.9-56.496.9000113.7I62 E63 E98 F99 N104 H105 I106I62-H102 HydrophobicContact CB-CB 4.06Å; I62-H102 HydrophobicContact CD1-CB 4.16Å; I62-H102 HydrophobicContact CG2-CB 3.58Å; E63-H102 VanDerWaalsContact CG-CD2 3.49Å; E63-H102 WeakPolarHBondContact CG-CD2 3.37Å; E63-H102 WeakPolarHBondContact CG-NE2 3.49Å; E63-H102 IonicContact OE1-CD2 3.44Å; E63-H102 IonicContact OE1-NE2 2.92Å; E63-H102 PolarHBondContact OE1-NE2 3.3Å; E98-H102 PolarHBondContact O-ND1 2.83Å; F99-H102 PolarHBondContact O-N 2.77Å; H102-N104 VanDerWaalsContact C-N 3.25Å; H102-N104 PolarHBondContact O-N 3.44Å; H102-H105 PolarHBondContact O-N 2.85Å; H102-H105 VanDerWaalsContact O-N 3.12Å; H102-I106 WeakPolarHBondContact O-CG1 3.38Å; H102-I106 PolarHBondContact O-N 3.48Å; H102-I106 VanDerWaalsContact O-N 3.11Å
103T89.7Confident89.4Confident37 Ų3739.4 Ų39.423%0.22723%0.225CC..Hα-helixtrans-57-37-175.255.10000113.5F99 I106 Q107 F157F99-T103 HydrophobicContact CD1-CG2 4.42Å; F99-T103 HydrophobicContact CE1-CG2 3.78Å; F99-T103 HydrophobicContact CZ-CG2 4.23Å; T103-I106 PolarHBondContact O-N 2.92Å; T103-Q107 WeakPolarHBondContact O-CB 3.47Å; T103-Q107 VanDerWaalsContact O-CG 3.27Å; T103-Q107 WeakPolarHBondContact O-CG 3.36Å; T103-Q107 PolarHBondContact O-N 2.96Å; T103-F157 HydrophobicContact CG2-CD2 4.25Å; T103-F157 HydrophobicContact CG2-CE2 4.25Å
104N89.6Confident88.3Confident99 Ų9941.8 Ų41.853%0.52924%0.241SC..Hα-helixtrans-65.1-43179.1-69.6-29.8000111.8H102 Q107 K108H102-N104 VanDerWaalsContact C-N 3.25Å; H102-N104 PolarHBondContact O-N 3.44Å; N104-Q107 PolarHBondContact O-N 3.07Å; N104-K108 WeakPolarHBondContact O-CG 3.37Å; N104-K108 PolarHBondContact O-N 2.74Å; N104-K108 VanDerWaalsContact O-N 3.14Å
105H92.2Very high87.1Confident42 Ų4249.5 Ų49.519%0.19427%0.27CS..Hα-helixtrans-64.3-45.5177.5-169.254.3000110.9I62 L65 E67 H102 Q107 K108 I109I62-H105 PolarHBondContact O-CD2 3.22Å; I62-H105 VanDerWaalsContact O-CD2 3.24Å; L65-H105 PolarHBondContact O-CE1 3.39Å; L65-H105 PolarHBondContact O-NE2 3.41Å; E67-H105 IonicContact OE1-CE1 2.79Å; E67-H105 IonicContact OE1-ND1 3.16Å; H102-H105 PolarHBondContact O-N 2.85Å; H102-H105 VanDerWaalsContact O-N 3.12Å; H105-Q107 VanDerWaalsContact C-N 3.3Å; H105-Q107 PolarHBondContact O-N 3.12Å; H105-K108 WeakPolarHBondContact O-CB 3.48Å; H105-K108 PolarHBondContact O-N 3.41Å; H105-K108 VanDerWaalsContact O-N 3.13Å; H105-I109 WeakPolarHBondContact O-CG1 3.37Å; H105-I109 PolarHBondContact O-N 3.21Å
106I92.8Very high85.8Confident0 Ų050.5 Ų50.50%027%0.273CS..Hα-helixtrans-60.6-40.6177.5-63.6171.1000111.3I62 I90 L92 F99 H102 T103 K108 I109 L110 V133 F157I62-I106 HydrophobicContact CD1-CD1 4.39Å; I62-I106 HydrophobicContact CG2-CD1 4.16Å; I62-I106 HydrophobicContact CG2-CG1 3.89Å; I90-I106 HydrophobicContact CD1-CG2 4.24Å; L92-I106 HydrophobicContact CD1-CD1 3.91Å; F99-I106 HydrophobicContact CD2-CD1 3.4Å; F99-I106 HydrophobicContact CE2-CD1 3.37Å; F99-I106 HydrophobicContact CE2-CG2 4.37Å; F99-I106 HydrophobicContact CG-CD1 4.37Å; F99-I106 HydrophobicContact CZ-CD1 4.28Å; H102-I106 WeakPolarHBondContact O-CG1 3.38Å; H102-I106 PolarHBondContact O-N 3.48Å; H102-I106 VanDerWaalsContact O-N 3.11Å; T103-I106 PolarHBondContact O-N 2.92Å; I106-K108 VanDerWaalsContact C-N 3.34Å; I106-K108 PolarHBondContact O-N 3.15Å; I106-I109 WeakPolarHBondContact O-CB 3.45Å; I106-I109 PolarHBondContact O-N 3.39Å; I106-L110 HydrophobicContact CG2-CD1 4.42Å; I106-L110 HydrophobicContact CG2-CG 4.43Å; I106-L110 WeakPolarHBondContact O-CG 3.03Å; I106-L110 PolarHBondContact O-N 3.37Å; I106-V133 HydrophobicContact CG2-CG1 4.38Å; I106-V133 HydrophobicContact CG2-CG2 3.6Å; I106-F157 HydrophobicContact CG2-CZ 3.97Å
107Q90.4Very high84.9Confident12 Ų1252.2 Ų52.26%0.05628%0.284CS..Hα-helixtrans-63.6-39.1176.4-77.3164.1-7.800112.8T103 N104 H105 L110 S111 N155 F157T103-Q107 WeakPolarHBondContact O-CB 3.47Å; T103-Q107 VanDerWaalsContact O-CG 3.27Å; T103-Q107 WeakPolarHBondContact O-CG 3.36Å; T103-Q107 PolarHBondContact O-N 2.96Å; N104-Q107 PolarHBondContact O-N 3.07Å; H105-Q107 VanDerWaalsContact C-N 3.3Å; H105-Q107 PolarHBondContact O-N 3.12Å; Q107-L110 PolarHBondContact O-N 3.3Å; Q107-S111 WeakPolarHBondContact O-CB 3.33Å; Q107-S111 PolarHBondContact O-N 3.39Å; Q107-N155 VanDerWaalsContact CD-CA 3.5Å; Q107-N155 VanDerWaalsContact NE2-CA 3.34Å; Q107-N155 PolarHBondContact NE2-O 2.68Å; Q107-N155 VanDerWaalsContact OE1-CA 3.27Å; Q107-N155 PolarHBondContact OE1-ND2 3.25Å; Q107-N155 PolarHBondContact OE1-OD1 2.76Å; Q107-F157 HydrophobicContact CG-CE1 4.43Å; Q107-F157 HydrophobicContact CG-CE2 3.59Å; Q107-F157 HydrophobicContact CG-CZ 3.52Å
108K89.9Confident84.1Confident115 Ų11555.4 Ų55.450%0.529%0.293SS..Hα-helixtrans-60.7-47.7172.9-66.9177.7-178.1178.50110.8E67 N104 H105 I106 L110 S111 H112E67-K108 VanDerWaalsContact CD-CB 3.41Å; E67-K108 HydrophobicContact CG-CB 4.18Å; E67-K108 VanDerWaalsContact OE1-CB 3.31Å; E67-K108 WeakPolarHBondContact OE1-CB 3.31Å; E67-K108 WeakPolarHBondContact OE1-CD 3.29Å; N104-K108 WeakPolarHBondContact O-CG 3.37Å; N104-K108 PolarHBondContact O-N 2.74Å; N104-K108 VanDerWaalsContact O-N 3.14Å; H105-K108 WeakPolarHBondContact O-CB 3.48Å; H105-K108 PolarHBondContact O-N 3.41Å; H105-K108 VanDerWaalsContact O-N 3.13Å; I106-K108 VanDerWaalsContact C-N 3.34Å; I106-K108 PolarHBondContact O-N 3.15Å; K108-L110 PolarHBondContact O-N 3.49Å; K108-S111 PolarHBondContact O-N 3.29Å; K108-S111 VanDerWaalsContact O-N 3.14Å; K108-S111 PolarHBondContact O-OG 3.27Å; K108-H112 PolarHBondContact O-CD2 3.02Å; K108-H112 VanDerWaalsContact O-CD2 3.31Å; K108-H112 PolarHBondContact O-N 2.77Å; K108-H112 VanDerWaalsContact O-N 3.07Å
109I92.1Very high83.6Confident0 Ų053.5 Ų53.50%029%0.285CS..Hα-helixtrans-52.9-52.4174.9-63.3169.2000110.5L65 E67 I70 I90 H105 I106 S111 H112 I113L65-I109 HydrophobicContact CB-CD1 3.79Å; L65-I109 HydrophobicContact CD1-CD1 4.02Å; E67-I109 HydrophobicContact CB-CG1 4.39Å; E67-I109 HydrophobicContact CG-CG1 3.76Å; I70-I109 HydrophobicContact CB-CG2 4.2Å; I70-I109 HydrophobicContact CD1-CD1 4.05Å; I70-I109 HydrophobicContact CD1-CG1 4.41Å; I70-I109 HydrophobicContact CD1-CG2 3.76Å; I70-I109 HydrophobicContact CG2-CG2 3.85Å; I90-I109 HydrophobicContact CD1-CG2 4.35Å; H105-I109 WeakPolarHBondContact O-CG1 3.37Å; H105-I109 PolarHBondContact O-N 3.21Å; I106-I109 WeakPolarHBondContact O-CB 3.45Å; I106-I109 PolarHBondContact O-N 3.39Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 3.01Å; I109-H112 WeakPolarHBondContact O-CB 3.29Å; I109-H112 PolarHBondContact O-N 3.1Å; I109-H112 VanDerWaalsContact O-N 3.1Å; I109-I113 HydrophobicContact CG2-CD1 4.33Å; I109-I113 WeakPolarHBondContact O-CG1 3.37Å; I109-I113 PolarHBondContact O-N 3.34Å; I109-I113 VanDerWaalsContact O-N 3.17Å
110L91.6Very high83.3Confident3 Ų355 Ų552%0.01629%0.292CS..Hα-helixtrans-61.1-39.1-179.7-64.8-179.1000112.7I90 I106 Q107 K108 H112 I113 S114 K131 V133 F157I90-L110 HydrophobicContact CG1-CD2 4.2Å; I106-L110 HydrophobicContact CG2-CD1 4.42Å; I106-L110 HydrophobicContact CG2-CG 4.43Å; I106-L110 WeakPolarHBondContact O-CG 3.03Å; I106-L110 PolarHBondContact O-N 3.37Å; Q107-L110 PolarHBondContact O-N 3.3Å; K108-L110 PolarHBondContact O-N 3.49Å; L110-H112 PolarHBondContact O-N 2.98Å; L110-I113 HydrophobicContact CD2-CD1 4.28Å; L110-I113 PolarHBondContact O-N 2.79Å; L110-S114 PolarHBondContact O-N 2.8Å; L110-K131 HydrophobicContact CB-CB 4.38Å; L110-K131 HydrophobicContact CD1-CB 4.25Å; L110-K131 HydrophobicContact CD2-CB 4.03Å; L110-K131 HydrophobicContact CG-CB 4.45Å; L110-V133 HydrophobicContact CD1-CG2 3.7Å; L110-V133 HydrophobicContact CD2-CG2 4.29Å; L110-V133 HydrophobicContact CG-CG2 4.36Å; L110-F157 HydrophobicContact CD1-CE1 3.82Å; L110-F157 HydrophobicContact CD1-CZ 4.13Å
111S86.4Confident82.9Confident48 Ų4854.6 Ų54.634%0.33629%0.29SS..Hα-helixtrans-65-28.8177.580.20000112.8Q107 K108 I109 R115Q107-S111 WeakPolarHBondContact O-CB 3.33Å; Q107-S111 PolarHBondContact O-N 3.39Å; K108-S111 PolarHBondContact O-N 3.29Å; K108-S111 VanDerWaalsContact O-N 3.14Å; K108-S111 PolarHBondContact O-OG 3.27Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 3.01Å; S111-R115 WeakPolarHBondContact O-CG 3.38Å
112H86.7Confident82.7Confident48 Ų4855.2 Ų55.222%0.22228%0.28CS..Hα-helixtrans-76.9-31.7175.6-88.5-85.7000112.2E67 A71 K108 I109 L110 S114 R115E67-H112 IonicContact OE2-CD2 3.45Å; E67-H112 PolarHBondContact OE2-CD2 2.8Å; E67-H112 IonicContact OE2-NE2 3.9Å; E67-H112 PolarHBondContact OE2-NE2 3.39Å; A71-H112 HydrophobicContact CB-CB 3.91Å; K108-H112 PolarHBondContact O-CD2 3.02Å; K108-H112 VanDerWaalsContact O-CD2 3.31Å; K108-H112 PolarHBondContact O-N 2.77Å; K108-H112 VanDerWaalsContact O-N 3.07Å; I109-H112 WeakPolarHBondContact O-CB 3.29Å; I109-H112 PolarHBondContact O-N 3.1Å; I109-H112 VanDerWaalsContact O-N 3.1Å; L110-H112 PolarHBondContact O-N 2.98Å; H112-S114 VanDerWaalsContact C-N 3.32Å; H112-S114 PolarHBondContact O-N 2.95Å; H112-R115 PolarHBondContact O-N 3.03Å
113I86.1Confident82.5Confident11 Ų1154.1 Ų54.16%0.05628%0.275CS..Hα-helixtrans-65.8-35.2175.1-63.3173.8000111.4I70 C74 I87 I90 I109 L110 R115I70-I113 HydrophobicContact CG2-CD1 4.04Å; I70-I113 HydrophobicContact CG2-CG1 4.28Å; C74-I113 HydrophobicContact CB-CG2 4.27Å; I87-I113 HydrophobicContact CG2-CG2 3.98Å; I90-I113 HydrophobicContact CG2-CD1 3.72Å; I109-I113 HydrophobicContact CG2-CD1 4.33Å; I109-I113 WeakPolarHBondContact O-CG1 3.37Å; I109-I113 PolarHBondContact O-N 3.34Å; I109-I113 VanDerWaalsContact O-N 3.17Å; L110-I113 HydrophobicContact CD2-CD1 4.28Å; L110-I113 PolarHBondContact O-N 2.79Å; I113-R115 PolarHBondContact O-N 2.97Å
114S71.5Confident82.1Confident51 Ų5152.9 Ų52.936%0.35727%0.267SS..THydrogen-bonded Turntrans-77.8-2.2-178-59.40000114.7L110 H112 D116 K131L110-S114 PolarHBondContact O-N 2.8Å; H112-S114 VanDerWaalsContact C-N 3.32Å; H112-S114 PolarHBondContact O-N 2.95Å; S114-D116 PolarHBondContact O-N 2.98Å; S114-D116 VanDerWaalsContact O-N 3.14Å; S114-K131 WeakPolarHBondContact OG-CE 3.17Å
115R67.7Low80.7Confident165 Ų16552.3 Ų52.362%0.62327%0.27SS*.  trans-86.383.5179.4-66.5-178.3-173.2-162.93110S111 H112 I113S111-R115 WeakPolarHBondContact O-CG 3.38Å; H112-R115 PolarHBondContact O-N 3.03Å; I113-R115 PolarHBondContact O-N 2.97Å
116D62.9Low79.2Confident66 Ų6653.4 Ų53.435%0.35328%0.282SS..  trans-75.6157.9172.7-76.5-24.9000111.7S114 N121S114-D116 PolarHBondContact O-N 2.98Å; S114-D116 VanDerWaalsContact O-N 3.14Å; D116-N121 VanDerWaalsContact CB-OD1 3.28Å; D116-N121 WeakPolarHBondContact CB-OD1 3.35Å; D116-N121 PolarHBondContact O-ND2 2.91Å
117D66.7Low77.8Confident75 Ų7559.7 Ų59.740%0.40131%0.31SS..  trans-56.9142.1176.5-168.3-13.1000111.3L119 M120 N121D117-L119 VanDerWaalsContact C-N 3.27Å; D117-L119 PolarHBondContact O-N 2.84Å; D117-M120 HydrophobicContact CB-CB 4.04Å; D117-M120 PolarHBondContact O-N 3.32Å; D117-M120 VanDerWaalsContact O-N 3.17Å; D117-N121 WeakPolarHBondContact O-CB 3.36Å; D117-N121 PolarHBondContact O-N 2.93Å; D117-N121 PolarHBondContact O-ND2 3.42Å
118T68.9Low76.4Confident120 Ų12064.3 Ų64.374%0.73634%0.335SS*.Hα-helixtrans-59.3-38.4-176.653.80000111.9K122T118-K122 PolarHBondContact O-N 3.36Å
119L78.4Confident75.6Confident17 Ų1760.5 Ų60.59%0.08932%0.321CS..Hα-helixtrans-73.3-39.4177.8-166.375.2000111.6D117 N121 K122 F123 Q200 L374D117-L119 VanDerWaalsContact C-N 3.27Å; D117-L119 PolarHBondContact O-N 2.84Å; L119-N121 VanDerWaalsContact C-N 3.33Å; L119-N121 PolarHBondContact O-N 2.81Å; L119-K122 VanDerWaalsContact O-CB 3.3Å; L119-K122 WeakPolarHBondContact O-CB 3.44Å; L119-K122 PolarHBondContact O-N 3.39Å; L119-K122 VanDerWaalsContact O-N 3.15Å; L119-F123 HydrophobicContact CD1-CE2 3.89Å; L119-F123 HydrophobicContact CG-CD2 4.38Å; L119-F123 HydrophobicContact CG-CE2 4.06Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.44Å; L119-Q200 HydrophobicContact CD2-CB 3.86Å; L119-Q200 HydrophobicContact CD2-CG 3.63Å; L119-L374 HydrophobicContact CD2-CD1 4.17Å; L119-L374 HydrophobicContact CD2-CD2 3.49Å; L119-L374 VanDerWaalsContact CD2-CD2 3.49Å; L119-L374 HydrophobicContact CD2-CG 4.49Å; L119-L374 HydrophobicContact CG-CD1 4.43Å
120M80.1Confident75.4Confident30 Ų3061.7 Ų61.715%0.14833%0.327CS..Hα-helixtrans-60.8-45.7176.2-166.469.668.800110.7D117 K122 F123 I124 V370 R371 L374D117-M120 HydrophobicContact CB-CB 4.04Å; D117-M120 PolarHBondContact O-N 3.32Å; D117-M120 VanDerWaalsContact O-N 3.17Å; M120-K122 PolarHBondContact O-N 3.32Å; M120-F123 PolarHBondContact O-N 2.93Å; M120-F123 VanDerWaalsContact O-N 3.15Å; M120-I124 HydrophobicContact CG-CD1 3.74Å; M120-I124 HydrophobicContact CG-CG1 4.11Å; M120-I124 WeakPolarHBondContact O-CB 3.32Å; M120-I124 PolarHBondContact O-N 2.89Å; M120-I124 HydrophobicContact SD-CD1 3.23Å; M120-I124 WeakPolarHBondContact SD-CD1 3.35Å; M120-I124 HydrophobicContact SD-CG1 3.83Å; M120-V370 HydrophobicContact SD-CG1 4.07Å; M120-R371 HydrophobicContact CE-CB 4.33Å; M120-R371 HydrophobicContact CE-CG 3.98Å; M120-R371 HydrophobicContact SD-CB 4.3Å; M120-R371 HydrophobicContact SD-CG 4.41Å; M120-L374 HydrophobicContact CE-CB 3.99Å; M120-L374 HydrophobicContact CE-CD1 3.71Å; M120-L374 HydrophobicContact CE-CG 4.46Å; M120-L374 HydrophobicContact SD-CD1 3.85Å
121N79.2Confident75.4Confident78 Ų7862.8 Ų62.842%0.41733%0.331SS..Hα-helixtrans-63.6-21.5177.3-75.2-34.8000113.9D116 D117 L119D116-N121 VanDerWaalsContact CB-OD1 3.28Å; D116-N121 WeakPolarHBondContact CB-OD1 3.35Å; D116-N121 PolarHBondContact O-ND2 2.91Å; D117-N121 WeakPolarHBondContact O-CB 3.36Å; D117-N121 PolarHBondContact O-N 2.93Å; D117-N121 PolarHBondContact O-ND2 3.42Å; L119-N121 VanDerWaalsContact C-N 3.33Å; L119-N121 PolarHBondContact O-N 2.81Å
122K83.7Confident75.8Confident108 Ų10860.5 Ų60.547%0.4732%0.315SS..Hα-helixtrans-71-33.8175.7-175175173.6169.20112.2T118 L119 M120 E204T118-K122 PolarHBondContact O-N 3.36Å; L119-K122 VanDerWaalsContact O-CB 3.3Å; L119-K122 WeakPolarHBondContact O-CB 3.44Å; L119-K122 PolarHBondContact O-N 3.39Å; L119-K122 VanDerWaalsContact O-N 3.15Å; M120-K122 PolarHBondContact O-N 3.32Å; K122-E204 VanDerWaalsContact NZ-CD 3.33Å; K122-E204 IonicContact NZ-OE1 2.67Å; K122-E204 PolarHBondContact NZ-OE1 3.33Å; K122-E204 IonicContact NZ-OE2 3.77Å
123F85.3Confident76.3Confident11 Ų1158.2 Ų58.25%0.04831%0.305CS..Hα-helixtrans-110.1-31.6-171.8-64.4-64.3000113.8L119 M120 E204 L207 Q208 V211 V370L119-F123 HydrophobicContact CD1-CE2 3.89Å; L119-F123 HydrophobicContact CG-CD2 4.38Å; L119-F123 HydrophobicContact CG-CE2 4.06Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.44Å; M120-F123 PolarHBondContact O-N 2.93Å; M120-F123 VanDerWaalsContact O-N 3.15Å; F123-E204 HydrophobicContact CE2-CG 4.21Å; F123-E204 HydrophobicContact CZ-CG 3.63Å; F123-L207 HydrophobicContact CD1-CB 4.03Å; F123-L207 HydrophobicContact CD2-CB 4.05Å; F123-L207 HydrophobicContact CD2-CD1 3.92Å; F123-L207 HydrophobicContact CE1-CB 3.89Å; F123-L207 HydrophobicContact CE2-CB 3.89Å; F123-L207 HydrophobicContact CE2-CD1 3.86Å; F123-L207 HydrophobicContact CG-CB 4.11Å; F123-L207 HydrophobicContact CZ-CB 3.8Å; F123-Q208 HydrophobicContact CE1-CB 3.95Å; F123-V211 HydrophobicContact CB-CG1 4.29Å; F123-V211 HydrophobicContact CD1-CG2 3.97Å; F123-V370 HydrophobicContact CB-CG1 3.86Å; F123-V370 HydrophobicContact CB-CG2 4.27Å
124I81.1Confident76.8Confident11 Ų1157.7 Ų57.76%0.05630%0.302CS..SBendtrans-89.7118177.7-61.3-164.1000108.7M120 S126 N367 V370 R371M120-I124 HydrophobicContact CG-CD1 3.74Å; M120-I124 HydrophobicContact CG-CG1 4.11Å; M120-I124 WeakPolarHBondContact O-CB 3.32Å; M120-I124 PolarHBondContact O-N 2.89Å; M120-I124 HydrophobicContact SD-CD1 3.23Å; M120-I124 WeakPolarHBondContact SD-CD1 3.35Å; M120-I124 HydrophobicContact SD-CG1 3.83Å; I124-S126 PolarHBondContact O-N 2.95Å; I124-N367 HydrophobicContact CD1-CB 4.27Å; I124-N367 HydrophobicContact CG2-CB 4.4Å; I124-V370 HydrophobicContact CD1-CG1 4.38Å; I124-V370 HydrophobicContact CG1-CB 4.41Å; I124-V370 HydrophobicContact CG1-CG1 4.02Å; I124-R371 HydrophobicContact CD1-CB 4.41Å
125C60.8Low78Confident88 Ų8855.4 Ų55.460%0.59529%0.286SS*.  trans-74.775.1170.1-164.70000109.5K127C125-K127 PolarHBondContact O-N 3.29Å
126S60Low79.3Confident64 Ų6447.6 Ų47.645%0.44826%0.257SS..  trans-69.496.1170.7-72.90000108.1I124 N128I124-S126 PolarHBondContact O-N 2.95Å; S126-N128 PolarHBondContact O-N 3.46Å
127K63.6Low80.8Confident133 Ų13344.9 Ų44.958%0.57824%0.242SC*.  trans-52.8115.8165-67.3171.2-170157.40105.6C125 T129 E363C125-K127 PolarHBondContact O-N 3.29Å; K127-T129 WeakPolarHBondContact O-CG2 3.36Å; K127-T129 PolarHBondContact O-N 2.97Å; K127-E363 IonicContact NZ-OE1 2.71Å; K127-E363 IonicContact NZ-OE2 2.69Å; K127-E363 PolarHBondContact NZ-OE2 2.85Å
128N62.1Low81.9Confident108 Ų10842.2 Ų42.258%0.57823%0.229SC*.  trans-58.599.8-174.9-165.56.3000109.1S126 A150S126-N128 PolarHBondContact O-N 3.46Å; N128-A150 HydrophobicContact CB-CB 4.19Å; N128-A150 VanDerWaalsContact CG-O 3.24Å; N128-A150 VanDerWaalsContact ND2-C 3.26Å; N128-A150 PolarHBondContact ND2-O 3.47Å; N128-A150 VanDerWaalsContact O-CB 3.26Å; N128-A150 WeakPolarHBondContact O-CB 3.46Å; N128-A150 PolarHBondContact OD1-O 2.8Å
129T71.7Confident82.8Confident35 Ų3544.9 Ų44.922%0.21523%0.23CC..PPolyproline II helixtrans-95.1136.8-172.255.50000109.5K127 K131K127-T129 WeakPolarHBondContact O-CG2 3.36Å; K127-T129 PolarHBondContact O-N 2.97Å; T129-K131 PolarHBondContact O-N 2.81Å
130E88.4Confident83.5Confident25 Ų2547.3 Ų47.312%0.11725%0.246CC..PPolyproline II helixtrans-51.5133.5166.8-61.1177.2131.800110.3M1 I2 A147 S148 A150 R158M1-E130 VanDerWaalsContact CA-OE2 3.29Å; M1-E130 WeakPolarHBondContact CA-OE2 3.16Å; I2-E130 HydrophobicContact CD1-CB 4.08Å; I2-E130 HydrophobicContact CG1-CB 4.05Å; I2-E130 WeakPolarHBondContact CG1-OE2 3.23Å; I2-E130 PolarHBondContact N-OE2 3.18Å; E130-A147 HydrophobicContact CB-CB 4.35Å; E130-S148 WeakPolarHBondContact CA-O 3.49Å; E130-S148 VanDerWaalsContact CB-O 3.27Å; E130-S148 WeakPolarHBondContact CB-O 3.2Å; E130-A150 HydrophobicContact CG-CB 4.46Å; E130-R158 VanDerWaalsContact CD-NH2 3.31Å; E130-R158 IonicContact OE1-CZ 2.77Å; E130-R158 IonicContact OE1-NH1 3.13Å; E130-R158 PolarHBondContact OE1-NH1 2.68Å; E130-R158 IonicContact OE1-NH2 3.69Å; E130-R158 PolarHBondContact OE1-NH2 2.88Å; E130-R158 VanDerWaalsContact OE1-NH2 3.16Å; E130-R158 IonicContact OE2-CZ 3.94Å; E130-R158 IonicContact OE2-NH1 3.89Å; E130-R158 IonicContact OE2-NH2 3.31Å; E130-R158 PolarHBondContact OE2-NH2 2.87Å
131K92.4Very high84.1Confident27 Ų2750 Ų5012%0.11726%0.257CS..EExtended strand (participates in β ladder)trans-92.1143.7173.7-62.7-57.5-170.6-171.60110.5I87 S88 L110 S114 T129 A147 S148I87-K131 PolarHBondContact O-NZ 3.18Å; S88-K131 CarbonylContact O-C 3.57Å; S88-K131 WeakPolarHBondContact O-CA 3.44Å; L110-K131 HydrophobicContact CB-CB 4.38Å; L110-K131 HydrophobicContact CD1-CB 4.25Å; L110-K131 HydrophobicContact CD2-CB 4.03Å; L110-K131 HydrophobicContact CG-CB 4.45Å; S114-K131 WeakPolarHBondContact OG-CE 3.17Å; T129-K131 PolarHBondContact O-N 2.81Å; K131-A147 CarbonylContact O-C 3.46Å; K131-A147 WeakPolarHBondContact O-CA 3.2Å; K131-S148 PolarHBondContact O-N 3.4Å
132L95.1Very high84.8Confident0 Ų052.9 Ų52.90%027%0.266CS..EExtended strand (participates in β ladder)trans-102150.7-175.8-64179.5000112.5I2 V5 E35 L37 S88 G89 I90 K146 A147 V160I2-L132 HydrophobicContact CD1-CD1 4.18Å; I2-L132 HydrophobicContact CD1-CD2 3.78Å; I2-L132 HydrophobicContact CD1-CG 3.95Å; V5-L132 HydrophobicContact CG2-CD1 3.63Å; V5-L132 HydrophobicContact CG2-CD2 4.37Å; E35-L132 HydrophobicContact CB-CD1 4.04Å; E35-L132 HydrophobicContact CG-CD1 3.67Å; L37-L132 HydrophobicContact CD2-CD1 4.13Å; S88-L132 PolarHBondContact O-N 3.32Å; G89-L132 CarbonylContact C-O 3.55Å; G89-L132 VanDerWaalsContact CA-O 3.24Å; G89-L132 WeakPolarHBondContact CA-O 3.42Å; I90-L132 PolarHBondContact N-O 2.78Å; L132-K146 CarbonylContact C-O 3.57Å; L132-K146 WeakPolarHBondContact CA-O 3.45Å; L132-A147 HydrophobicContact CD2-CB 3.82Å; L132-V160 HydrophobicContact CD2-CG2 4.33Å
133V96.4Very high85.3Confident0 Ų049.4 Ų49.40%025%0.251CS..EExtended strand (participates in β ladder)trans-125.5112163.9-171.10000107.9I90 L92 F99 I106 L110 V135 C145 K146 F157I90-V133 HydrophobicContact CG1-CG1 4.16Å; I90-V133 HydrophobicContact CG1-CG2 4.25Å; I90-V133 VanDerWaalsContact O-CA 3.32Å; I90-V133 WeakPolarHBondContact O-CA 3.36Å; L92-V133 HydrophobicContact CD1-CG1 3.98Å; L92-V133 HydrophobicContact CG-CG1 4.45Å; F99-V133 HydrophobicContact CD2-CG1 4.14Å; F99-V133 HydrophobicContact CE2-CB 4.09Å; F99-V133 HydrophobicContact CE2-CG1 3.65Å; F99-V133 HydrophobicContact CE2-CG2 4.46Å; I106-V133 HydrophobicContact CG2-CG1 4.38Å; I106-V133 HydrophobicContact CG2-CG2 3.6Å; L110-V133 HydrophobicContact CD1-CG2 3.7Å; L110-V133 HydrophobicContact CD2-CG2 4.29Å; L110-V133 HydrophobicContact CG-CG2 4.36Å; V133-V135 HydrophobicContact CG1-CG2 4.23Å; V133-C145 WeakPolarHBondContact O-CA 3.46Å; V133-K146 PolarHBondContact N-O 3.07Å; V133-K146 PolarHBondContact O-N 3.43Å; V133-F157 HydrophobicContact CG2-CE1 3.93Å; V133-F157 HydrophobicContact CG2-CZ 4.28Å
134L97.3Very high85.8Confident0 Ų051.3 Ų51.30%026%0.26CS..EExtended strand (participates in β ladder)trans-96.2115.5174.4-178.565.6000109.4F7 F11 L15 I26 L37 I90 C91 L92 F143 C145 V162F7-L134 HydrophobicContact CD1-CD2 4.45Å; F7-L134 HydrophobicContact CE1-CD1 4.02Å; F7-L134 HydrophobicContact CE1-CD2 3.98Å; F7-L134 HydrophobicContact CZ-CD1 4.44Å; F7-L134 HydrophobicContact CZ-CD2 4.36Å; F11-L134 HydrophobicContact CE1-CD2 3.63Å; F11-L134 HydrophobicContact CZ-CD2 4.18Å; L15-L134 HydrophobicContact CD1-CD2 3.66Å; L15-L134 HydrophobicContact CD1-CG 4.44Å; I26-L134 HydrophobicContact CD1-CB 3.74Å; I26-L134 HydrophobicContact CD1-CD2 4.48Å; L37-L134 HydrophobicContact CD1-CD2 3.93Å; I90-L134 PolarHBondContact O-N 3.18Å; C91-L134 CarbonylContact C-O 3.6Å; C91-L134 WeakPolarHBondContact CA-O 3.44Å; C91-L134 HydrophobicContact CB-CB 4.2Å; L92-L134 PolarHBondContact N-O 3Å; L134-F143 HydrophobicContact CD1-CB 4.26Å; L134-F143 HydrophobicContact CD1-CD1 4.31Å; L134-C145 HydrophobicContact CD1-CB 4.09Å; L134-V162 HydrophobicContact CD1-CG2 4.41Å
135V96.1Very high86.5Confident2 Ų250.9 Ų50.91%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-101.5118.3176.4-178.10000108.5L92 V94 F99 V133 F143 Q144L92-V135 WeakPolarHBondContact O-CA 3.36Å; V94-V135 HydrophobicContact CG2-CG1 3.77Å; F99-V135 HydrophobicContact CB-CG2 4.1Å; F99-V135 HydrophobicContact CD2-CG2 3.58Å; F99-V135 HydrophobicContact CE2-CG2 4.28Å; F99-V135 HydrophobicContact CG-CG2 3.88Å; V133-V135 HydrophobicContact CG1-CG2 4.23Å; V135-F143 CarbonylContact O-C 3.51Å; V135-F143 WeakPolarHBondContact O-CA 3.33Å; V135-Q144 PolarHBondContact N-O 2.89Å; V135-Q144 PolarHBondContact O-N 2.54Å
136A95.7Very high88.2Confident2 Ų247.7 Ų47.72%0.01723%0.234CC..EExtended strand (participates in β ladder)trans-102120.3169.800000108.5L15 L92 T93 V94 P138 F143L15-A136 HydrophobicContact CB-CB 3.99Å; L15-A136 HydrophobicContact CD1-CB 4.33Å; L92-A136 PolarHBondContact O-N 3.27Å; T93-A136 CarbonylContact C-O 3.56Å; T93-A136 VanDerWaalsContact CA-O 3.32Å; T93-A136 WeakPolarHBondContact CA-O 3.44Å; T93-A136 HydrophobicContact CG2-CB 4.43Å; V94-A136 PolarHBondContact N-O 3.25Å; A136-P138 WeakPolarHBondContact O-CD 3.29Å; A136-F143 HydrophobicContact CB-CD1 3.78Å; A136-F143 HydrophobicContact CB-CE1 3.62Å
137D93.9Very high89.8Confident9 Ų944.8 Ų44.85%0.04821%0.213CC..EExtended strand (participates in β ladder)trans-91.6113178.6-177.2-38.3000109.9V94 P95 H96 K139 T140 K141 K142V94-D137 WeakPolarHBondContact O-CA 3.45Å; P95-D137 WeakPolarHBondContact CA-OD2 3.24Å; H96-D137 VanDerWaalsContact CD2-CB 3.49Å; H96-D137 WeakPolarHBondContact CD2-CB 3.5Å; H96-D137 IonicContact CD2-OD2 3.43Å; H96-D137 PolarHBondContact CD2-OD2 3Å; H96-D137 IonicContact CG-OD2 3.6Å; H96-D137 PolarHBondContact N-OD2 2.87Å; H96-D137 VanDerWaalsContact N-OD2 3.13Å; H96-D137 VanDerWaalsContact NE2-CB 3.34Å; H96-D137 WeakPolarHBondContact NE2-CB 3.27Å; H96-D137 IonicContact NE2-OD2 3.53Å; D137-K139 PolarHBondContact O-N 2.75Å; D137-K139 WeakPolarHBondContact OD1-CA 3.32Å; D137-K139 WeakPolarHBondContact OD1-CB 3.45Å; D137-K139 PolarHBondContact OD1-N 3.27Å; D137-T140 WeakPolarHBondContact CB-OG1 3.18Å; D137-T140 VanDerWaalsContact CG-OG1 3.3Å; D137-T140 PolarHBondContact O-N 3.34Å; D137-T140 PolarHBondContact OD1-N 2.74Å; D137-K141 VanDerWaalsContact O-CA 3.27Å; D137-K141 WeakPolarHBondContact O-CA 3.42Å; D137-K141 PolarHBondContact O-N 3.25Å; D137-K142 PolarHBondContact N-O 2.97Å
138P88.8Confident91Very high18 Ų1839 Ų3912%0.11719%0.189CC..THydrogen-bonded Turntrans-66.2-21.1-176.1-18.230.6000113.7A136 K141A136-P138 WeakPolarHBondContact O-CD 3.29Å; P138-K141 WeakPolarHBondContact O-CD 3.46Å; P138-K141 WeakPolarHBondContact O-CE 3.26Å; P138-K141 PolarHBondContact O-NZ 2.89Å
139K89.4Confident91.8Very high176 Ų17635.2 Ų35.277%0.76517%0.173SC*.THydrogen-bonded Turntrans-86.5-44.5-179.2-63-179.8178.9176.90111.5D137D137-K139 PolarHBondContact O-N 2.75Å; D137-K139 WeakPolarHBondContact OD1-CA 3.32Å; D137-K139 WeakPolarHBondContact OD1-CB 3.45Å; D137-K139 PolarHBondContact OD1-N 3.27Å
140T92.6Very high91.7Very high69 Ų6935 Ų3542%0.42318%0.175SC..THydrogen-bonded Turntrans-90.5-13.4-177.570.40000113.2D137 K142D137-T140 WeakPolarHBondContact CB-OG1 3.18Å; D137-T140 VanDerWaalsContact CG-OG1 3.3Å; D137-T140 PolarHBondContact O-N 3.34Å; D137-T140 PolarHBondContact OD1-N 2.74Å; T140-K142 PolarHBondContact O-N 2.62Å; T140-K142 WeakPolarHBondContact OG1-CB 3.27Å; T140-K142 PolarHBondContact OG1-N 3.26Å
141K91.4Very high90.6Very high87 Ų8738.5 Ų38.538%0.37820%0.195SC..THydrogen-bonded Turntrans54.132.3-172.9-53.5-49.9-162.9-172.90112.3I16 D19 D137 P138I16-K141 HydrophobicContact CB-CD 4.36Å; I16-K141 HydrophobicContact CD1-CB 4.06Å; I16-K141 HydrophobicContact CG1-CB 4.38Å; I16-K141 HydrophobicContact CG1-CD 4.2Å; I16-K141 HydrophobicContact CG2-CD 3.63Å; I16-K141 HydrophobicContact CG2-CG 4.38Å; I16-K141 PolarHBondContact O-NZ 3.22Å; D19-K141 IonicContact OD1-NZ 2.65Å; D19-K141 PolarHBondContact OD1-NZ 3.29Å; D137-K141 VanDerWaalsContact O-CA 3.27Å; D137-K141 WeakPolarHBondContact O-CA 3.42Å; D137-K141 PolarHBondContact O-N 3.25Å; P138-K141 WeakPolarHBondContact O-CD 3.46Å; P138-K141 WeakPolarHBondContact O-CE 3.26Å; P138-K141 PolarHBondContact O-NZ 2.89Å
142K94Very high89.2Confident138 Ų13839.6 Ų39.660%0.621%0.214SC*.EExtended strand (participates in β ladder)trans-107.6153.7178.1-67.3-177.2179.2-178.60111D137 T140D137-K142 PolarHBondContact N-O 2.97Å; T140-K142 PolarHBondContact O-N 2.62Å; T140-K142 WeakPolarHBondContact OG1-CB 3.27Å; T140-K142 PolarHBondContact OG1-N 3.26Å
143F95.9Very high87.5Confident35 Ų3543.2 Ų43.215%0.15424%0.239CC..EExtended strand (participates in β ladder)trans-111.8140.4176.1-61.2-85.1000110.5F7 A12 L15 I16 L134 V135 A136 V162 I164F7-F143 HydrophobicContact CE2-CD1 4.45Å; F7-F143 HydrophobicContact CE2-CD2 4.42Å; F7-F143 HydrophobicContact CE2-CE1 4.33Å; F7-F143 HydrophobicContact CE2-CE2 4.29Å; F7-F143 HydrophobicContact CE2-CG 4.49Å; F7-F143 HydrophobicContact CE2-CZ 4.24Å; F7-F143 HydrophobicContact CZ-CB 4.29Å; F7-F143 AromaticContact CZ-CD1 3.91Å; F7-F143 HydrophobicContact CZ-CD1 3.91Å; F7-F143 HydrophobicContact CZ-CD2 4.11Å; F7-F143 HydrophobicContact CZ-CE1 4.23Å; F7-F143 HydrophobicContact CZ-CE2 4.41Å; F7-F143 AromaticContact CZ-CG 3.84Å; F7-F143 HydrophobicContact CZ-CG 3.84Å; F7-F143 HydrophobicContact CZ-CZ 4.46Å; A12-F143 HydrophobicContact CB-CE2 3.97Å; A12-F143 HydrophobicContact CB-CZ 3.77Å; L15-F143 HydrophobicContact CB-CE1 4.02Å; L15-F143 HydrophobicContact CD1-CE1 3.99Å; I16-F143 HydrophobicContact CD1-CD2 4.49Å; I16-F143 HydrophobicContact CD1-CE1 4.48Å; I16-F143 HydrophobicContact CD1-CE2 3.36Å; I16-F143 HydrophobicContact CD1-CZ 3.36Å; I16-F143 HydrophobicContact CG1-CE1 4.37Å; I16-F143 HydrophobicContact CG1-CE2 4.1Å; I16-F143 HydrophobicContact CG1-CZ 3.61Å; L134-F143 HydrophobicContact CD1-CB 4.26Å; L134-F143 HydrophobicContact CD1-CD1 4.31Å; V135-F143 CarbonylContact O-C 3.51Å; V135-F143 WeakPolarHBondContact O-CA 3.33Å; A136-F143 HydrophobicContact CB-CD1 3.78Å; A136-F143 HydrophobicContact CB-CE1 3.62Å; F143-V162 HydrophobicContact CB-CG1 4.07Å; F143-I164 HydrophobicContact CD2-CD1 3.68Å; F143-I164 HydrophobicContact CE2-CD1 3.6Å
144Q95.1Very high85.9Confident51 Ų5147.6 Ų47.624%0.23826%0.262CS..EExtended strand (participates in β ladder)trans-130.8129.7169.4-178.9178.327.600108.6V135V135-Q144 PolarHBondContact N-O 2.89Å; V135-Q144 PolarHBondContact O-N 2.54Å
145C96.8Very high84.5Confident1 Ų152.4 Ų52.41%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-114.5137.8175.5-168.90000111.2V5 V133 L134 V160 V162V5-C145 HydrophobicContact CG2-CB 4.43Å; V133-C145 WeakPolarHBondContact O-CA 3.46Å; L134-C145 HydrophobicContact CD1-CB 4.09Å; C145-V160 HydrophobicContact CB-CB 4.41Å; C145-V160 PolarHBondContact O-N 2.79Å; C145-V162 HydrophobicContact CB-CG2 3.41Å; C145-V162 VanDerWaalsContact CB-CG2 3.41Å
146K94.8Very high83.8Confident22 Ų2259.7 Ų59.710%0.09632%0.322CS..EExtended strand (participates in β ladder)trans-127.8137.2177.3-76.5179.2178.9-173.10110.3F99 N100 L132 V133 F157 R158F99-K146 HydrophobicContact CD1-CD 4.05Å; F99-K146 HydrophobicContact CE1-CD 3.22Å; F99-K146 HydrophobicContact CZ-CD 3.49Å; F99-K146 VanDerWaalsContact CZ-CD 3.49Å; N100-K146 PolarHBondContact OD1-NZ 3.25Å; L132-K146 CarbonylContact C-O 3.57Å; L132-K146 WeakPolarHBondContact CA-O 3.45Å; V133-K146 PolarHBondContact N-O 3.07Å; V133-K146 PolarHBondContact O-N 3.43Å; K146-F157 HydrophobicContact CB-CB 3.99Å; K146-F157 HydrophobicContact CB-CD1 3.86Å; K146-F157 HydrophobicContact CB-CG 4.12Å; K146-F157 HydrophobicContact CD-CB 3.98Å; K146-F157 HydrophobicContact CD-CG 4.31Å; K146-F157 HydrophobicContact CG-CB 4.23Å; K146-R158 CarbonylContact C-O 3.51Å; K146-R158 VanDerWaalsContact CA-O 3.31Å; K146-R158 WeakPolarHBondContact CA-O 3.34Å
147A93.7Very high83.5Confident2 Ų261.4 Ų61.42%0.01733%0.329CS..EExtended strand (participates in β ladder)trans-104.5133.2175.400000110.6E130 K131 L132 F157 R158 V160E130-A147 HydrophobicContact CB-CB 4.35Å; K131-A147 CarbonylContact O-C 3.46Å; K131-A147 WeakPolarHBondContact O-CA 3.2Å; L132-A147 HydrophobicContact CD2-CB 3.82Å; A147-F157 WeakPolarHBondContact O-CA 3.46Å; A147-R158 PolarHBondContact N-O 2.6Å; A147-R158 PolarHBondContact O-N 2.65Å; A147-V160 HydrophobicContact CB-CG2 3.59Å
148S90.1Very high83.4Confident11 Ų1164.6 Ų64.68%0.07734%0.341CS..EExtended strand (participates in β ladder)trans-89.3145.5169.7-177.40000110.1E130 K131E130-S148 WeakPolarHBondContact CA-O 3.49Å; E130-S148 VanDerWaalsContact CB-O 3.27Å; E130-S148 WeakPolarHBondContact CB-O 3.2Å; K131-S148 PolarHBondContact O-N 3.4Å
149A77.9Confident83.6Confident29 Ų2968.3 Ų68.324%0.2436%0.363CS..  trans-60.8139177.100000111.1D151 G152 N154A149-D151 VanDerWaalsContact C-N 3.27Å; A149-D151 WeakPolarHBondContact CB-OD1 3.49Å; A149-D151 PolarHBondContact O-N 3.43Å; A149-G152 PolarHBondContact O-N 2.89Å; A149-N154 HydrophobicContact CB-CB 4.35Å
150A70Confident83.9Confident31 Ų3160.1 Ų60.126%0.25633%0.328SS..THydrogen-bonded Turntrans-62.9-34.1-176.600000112.8N128 E130 G152N128-A150 HydrophobicContact CB-CB 4.19Å; N128-A150 VanDerWaalsContact CG-O 3.24Å; N128-A150 VanDerWaalsContact ND2-C 3.26Å; N128-A150 PolarHBondContact ND2-O 3.47Å; N128-A150 VanDerWaalsContact O-CB 3.26Å; N128-A150 WeakPolarHBondContact O-CB 3.46Å; N128-A150 PolarHBondContact OD1-O 2.8Å; E130-A150 HydrophobicContact CG-CB 4.46Å; A150-G152 PolarHBondContact O-N 2.83Å
151D65.7Low84.1Confident98 Ų9862.1 Ų62.152%0.52433%0.332SS..THydrogen-bonded Turntrans-78.2-4.3-177.363.9-7.8000113.9A149 S153A149-D151 VanDerWaalsContact C-N 3.27Å; A149-D151 WeakPolarHBondContact CB-OD1 3.49Å; A149-D151 PolarHBondContact O-N 3.43Å; D151-S153 PolarHBondContact O-N 3.11Å; D151-S153 PolarHBondContact OD1-N 3.43Å; D151-S153 PolarHBondContact OD1-OG 3.47Å; D151-S153 WeakPolarHBondContact OD2-CB 3.47Å; D151-S153 PolarHBondContact OD2-OG 3.17Å
152G62.3Low84.4Confident50 Ų5059.8 Ų59.852%0.51533%0.325SS..SBendtrans596.4-176.700000114.2A149 A150A149-G152 PolarHBondContact O-N 2.89Å; A150-G152 PolarHBondContact O-N 2.83Å
153S59.8Low84.5Confident77 Ų7756.3 Ų56.354%0.53831%0.31SS..  trans-83-26.6-171.679.10000111.7D151D151-S153 PolarHBondContact O-N 3.11Å; D151-S153 PolarHBondContact OD1-N 3.43Å; D151-S153 PolarHBondContact OD1-OG 3.47Å; D151-S153 WeakPolarHBondContact OD2-CB 3.47Å; D151-S153 PolarHBondContact OD2-OG 3.17Å
154N63.4Low84.5Confident91 Ų9157.8 Ų57.849%0.48732%0.319SS..  trans-111.4118.4-179.2-84.8-39.4000111.6A149 Q156A149-N154 HydrophobicContact CB-CB 4.35Å; N154-Q156 PolarHBondContact O-N 2.88Å
155N68Low84.5Confident102 Ų10258.2 Ų58.255%0.54532%0.318SS..  trans-7230.1169.6-78.212.4000112.9Q107Q107-N155 VanDerWaalsContact CD-CA 3.5Å; Q107-N155 VanDerWaalsContact NE2-CA 3.34Å; Q107-N155 PolarHBondContact NE2-O 2.68Å; Q107-N155 VanDerWaalsContact OE1-CA 3.27Å; Q107-N155 PolarHBondContact OE1-ND2 3.25Å; Q107-N155 PolarHBondContact OE1-OD1 2.76Å
156Q79.7Confident84.3Confident154 Ų15462.4 Ų62.472%0.7235%0.346SS*.  trans-108.8136.7177-65.9-170.917.500110.9N154N154-Q156 PolarHBondContact O-N 2.88Å
157F89.2Confident84.2Confident38 Ų3861.5 Ų61.517%0.16734%0.342CS..EExtended strand (participates in β ladder)trans-98.7133172.9-77.5-71.6000110.3F99 T103 I106 Q107 L110 V133 K146 A147F99-F157 HydrophobicContact CE1-CD2 4.49Å; F99-F157 HydrophobicContact CZ-CD2 4.02Å; F99-F157 AromaticContact CZ-CE2 3.92Å; F99-F157 HydrophobicContact CZ-CE2 3.92Å; F99-F157 HydrophobicContact CZ-CG 4.45Å; F99-F157 HydrophobicContact CZ-CZ 4.27Å; T103-F157 HydrophobicContact CG2-CD2 4.25Å; T103-F157 HydrophobicContact CG2-CE2 4.25Å; I106-F157 HydrophobicContact CG2-CZ 3.97Å; Q107-F157 HydrophobicContact CG-CE1 4.43Å; Q107-F157 HydrophobicContact CG-CE2 3.59Å; Q107-F157 HydrophobicContact CG-CZ 3.52Å; L110-F157 HydrophobicContact CD1-CE1 3.82Å; L110-F157 HydrophobicContact CD1-CZ 4.13Å; V133-F157 HydrophobicContact CG2-CE1 3.93Å; V133-F157 HydrophobicContact CG2-CZ 4.28Å; K146-F157 HydrophobicContact CB-CB 3.99Å; K146-F157 HydrophobicContact CB-CD1 3.86Å; K146-F157 HydrophobicContact CB-CG 4.12Å; K146-F157 HydrophobicContact CD-CB 3.98Å; K146-F157 HydrophobicContact CD-CG 4.31Å; K146-F157 HydrophobicContact CG-CB 4.23Å; A147-F157 WeakPolarHBondContact O-CA 3.46Å
158R92Very high84.1Confident77 Ų7763 Ų6329%0.29135%0.349SS..EExtended strand (participates in β ladder)trans-93.4132.3167.2-174.5-176.666.8-109.7-3.5109.6M1 I2 E130 K146 A147M1-R158 PolarHBondContact SD-NH1 2.75Å; I2-R158 PolarHBondContact O-NH2 3.13Å; E130-R158 VanDerWaalsContact CD-NH2 3.31Å; E130-R158 IonicContact OE1-CZ 2.77Å; E130-R158 IonicContact OE1-NH1 3.13Å; E130-R158 PolarHBondContact OE1-NH1 2.68Å; E130-R158 IonicContact OE1-NH2 3.69Å; E130-R158 PolarHBondContact OE1-NH2 2.88Å; E130-R158 VanDerWaalsContact OE1-NH2 3.16Å; E130-R158 IonicContact OE2-CZ 3.94Å; E130-R158 IonicContact OE2-NH1 3.89Å; E130-R158 IonicContact OE2-NH2 3.31Å; E130-R158 PolarHBondContact OE2-NH2 2.87Å; K146-R158 CarbonylContact C-O 3.51Å; K146-R158 VanDerWaalsContact CA-O 3.31Å; K146-R158 WeakPolarHBondContact CA-O 3.34Å; A147-R158 PolarHBondContact N-O 2.6Å; A147-R158 PolarHBondContact O-N 2.65Å
159T93.7Very high84.1Confident95 Ų9567.7 Ų67.758%0.58337%0.373SS*.EExtended strand (participates in β ladder)trans-69.1134.6171.6-54.30000109.5
160V95.9Very high84.8Confident5 Ų567.4 Ų67.43%0.0337%0.366CS..EExtended strand (participates in β ladder)trans-115138.9177.6-172.40000109.1I2 A3 V5 L132 C145 A147I2-V160 HydrophobicContact CG2-CG1 4.12Å; A3-V160 WeakPolarHBondContact O-CG1 3.5Å; V5-V160 HydrophobicContact CG2-CB 4.39Å; V5-V160 HydrophobicContact CG2-CG1 3.75Å; L132-V160 HydrophobicContact CD2-CG2 4.33Å; C145-V160 HydrophobicContact CB-CB 4.41Å; C145-V160 PolarHBondContact O-N 2.79Å; A147-V160 HydrophobicContact CB-CG2 3.59Å
161E96.9Very high85.9Confident111 Ų11166.7 Ų66.752%0.51936%0.356SS..EExtended strand (participates in β ladder)trans-64.2135.1178.1-170.5-176.6-16900110.3E4 V5 K163E4-E161 CarbonylContact C-O 3.46Å; E4-E161 WeakPolarHBondContact CA-O 3.48Å; E4-E161 HydrophobicContact CB-CB 4.18Å; V5-E161 PolarHBondContact N-O 3.42Å; E161-K163 VanDerWaalsContact CD-NZ 3.28Å; E161-K163 WeakPolarHBondContact OE1-CE 3.37Å; E161-K163 IonicContact OE1-NZ 3.3Å; E161-K163 PolarHBondContact OE1-NZ 3.48Å; E161-K163 WeakPolarHBondContact OE2-CE 3.37Å; E161-K163 IonicContact OE2-NZ 2.81Å; E161-K163 PolarHBondContact OE2-NZ 2.87Å
162V97.4Very high87.3Confident37 Ų3763.1 Ų63.122%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-109126178.3176.10000109.3F7 L134 F143 C145F7-V162 HydrophobicContact CD1-CG1 4.42Å; F7-V162 HydrophobicContact CE1-CG1 3.36Å; F7-V162 HydrophobicContact CZ-CG1 3.55Å; L134-V162 HydrophobicContact CD1-CG2 4.41Å; F143-V162 HydrophobicContact CB-CG1 4.07Å; C145-V162 HydrophobicContact CB-CG2 3.41Å; C145-V162 VanDerWaalsContact CB-CG2 3.41Å
163K96.9Very high88.8Confident65 Ų6561 Ų6128%0.28332%0.316SS..EExtended strand (participates in β ladder)trans-126.5124.2176.3-78.8176.5-175.3137.90110.1E4 V5 L6 F7 E161E4-K163 VanDerWaalsContact OE2-CD 3.31Å; E4-K163 WeakPolarHBondContact OE2-CD 3.3Å; E4-K163 IonicContact OE2-NZ 2.71Å; E4-K163 PolarHBondContact OE2-NZ 2.75Å; V5-K163 PolarHBondContact O-N 2.85Å; L6-K163 WeakPolarHBondContact CA-O 3.34Å; L6-K163 HydrophobicContact CD2-CB 3.53Å; L6-K163 HydrophobicContact CD2-CD 4.44Å; F7-K163 PolarHBondContact N-O 2.89Å; E161-K163 VanDerWaalsContact CD-NZ 3.28Å; E161-K163 WeakPolarHBondContact OE1-CE 3.37Å; E161-K163 IonicContact OE1-NZ 3.3Å; E161-K163 PolarHBondContact OE1-NZ 3.48Å; E161-K163 WeakPolarHBondContact OE2-CE 3.37Å; E161-K163 IonicContact OE2-NZ 2.81Å; E161-K163 PolarHBondContact OE2-NZ 2.87Å
164I96.3Very high90.5Very high66 Ų6657.4 Ų57.434%0.33829%0.29SS..EExtended strand (participates in β ladder)trans-99.8106.2178.7-46.4-179.9000108.1F7 N9 A12 F143F7-I164 HydrophobicContact CD2-CG1 4.21Å; F7-I164 HydrophobicContact CD2-CG2 4.19Å; F7-I164 HydrophobicContact CE2-CB 4.43Å; F7-I164 HydrophobicContact CE2-CD1 3.79Å; F7-I164 HydrophobicContact CE2-CG1 3.58Å; F7-I164 HydrophobicContact CE2-CG2 4.23Å; F7-I164 HydrophobicContact CZ-CD1 4.18Å; F7-I164 HydrophobicContact CZ-CG1 3.89Å; F7-I164 CarbonylContact O-C 3.54Å; F7-I164 VanDerWaalsContact O-CA 3.27Å; F7-I164 WeakPolarHBondContact O-CA 3.41Å; N9-I164 VanDerWaalsContact OD1-CG2 3.23Å; N9-I164 WeakPolarHBondContact OD1-CG2 3.46Å; A12-I164 HydrophobicContact CB-CD1 4.02Å; A12-I164 HydrophobicContact CB-CG2 3.99Å; F143-I164 HydrophobicContact CD2-CD1 3.68Å; F143-I164 HydrophobicContact CE2-CD1 3.6Å
165R94.7Very high92Very high61 Ų6158 Ų5823%0.2329%0.289CS..  trans-162.6150.1-179.262179.5-179.2-174.4-5.5110.9L6 F7 D8 F167L6-R165 HydrophobicContact CD2-CG 3.92Å; L6-R165 VanDerWaalsContact CD2-NE 3.26Å; F7-R165 PolarHBondContact O-N 3.31Å; D8-R165 VanDerWaalsContact OD1-O 3.14Å; R165-F167 PolarHBondContact O-N 2.86Å
166P92.2Very high93.3Very high89 Ų8953.6 Ų53.658%0.57827%0.265SS*.  trans-57.6131.3174.324.6-34.1000111.9D8D8-P166 WeakPolarHBondContact OD1-CA 3.41Å
167F93.6Very high93.9Very high3 Ų349.3 Ų49.31%0.01325%0.245CC..  trans-141.3-11.5174.669-86.7000114.4L6 D8 C36 L37 F38 R165 D169 R170 W171L6-F167 HydrophobicContact CB-CD1 4.22Å; D8-F167 WeakPolarHBondContact OD1-CD1 3.46Å; D8-F167 WeakPolarHBondContact OD1-CE1 3.08Å; D8-F167 PolarHBondContact OD1-N 3.46Å; C36-F167 HydrophobicContact CB-CD2 3.77Å; C36-F167 HydrophobicContact CB-CE2 3.45Å; C36-F167 VanDerWaalsContact CB-CE2 3.45Å; C36-F167 HydrophobicContact CB-CZ 3.97Å; L37-F167 WeakPolarHBondContact O-CZ 3.42Å; F38-F167 AromaticContact CD1-CE2 3.69Å; F38-F167 HydrophobicContact CD1-CE2 3.69Å; F38-F167 AromaticContact CD1-CZ 3.91Å; F38-F167 HydrophobicContact CD1-CZ 3.91Å; F38-F167 AromaticContact CE1-CE2 3.62Å; F38-F167 HydrophobicContact CE1-CE2 3.62Å; F38-F167 HydrophobicContact CE1-CZ 4.28Å; R165-F167 PolarHBondContact O-N 2.86Å; F167-D169 PolarHBondContact O-N 2.73Å; F167-R170 WeakPolarHBondContact O-CB 3.45Å; F167-R170 WeakPolarHBondContact O-CG 3.29Å; F167-R170 PolarHBondContact O-N 2.78Å; F167-W171 AromaticContact CD2-CD1 3.91Å; F167-W171 AromaticContact CD2-NE1 3.65Å; F167-W171 AromaticContact CE2-NE1 3.95Å
168I91.4Very high94.1Very high33 Ų3347.6 Ų47.617%0.16924%0.238CC..G310 helixtrans-65-23.4-169.7-160.762.5000113.2F38 R170 W171 F351 T411F38-I168 HydrophobicContact CD1-CD1 3.63Å; F38-I168 HydrophobicContact CE1-CD1 3.9Å; I168-R170 PolarHBondContact O-N 2.92Å; I168-W171 PolarHBondContact O-N 2.83Å; I168-W171 VanDerWaalsContact O-N 3.1Å; I168-F351 HydrophobicContact CD1-CE1 4.03Å; I168-F351 HydrophobicContact CD1-CZ 3.87Å; I168-T411 HydrophobicContact CG1-CG2 4.37Å; I168-T411 WeakPolarHBondContact CG1-OG1 3.48Å
169D90.1Very high94Very high109 Ų10947.9 Ų47.958%0.58325%0.245SC*.G310 helixtrans-65.7-13.6174.366.6-34.8000113.7F167 W171F167-D169 PolarHBondContact O-N 2.73Å; D169-W171 VanDerWaalsContact C-N 3.32Å
170R91.6Very high93.7Very high24 Ų2443.5 Ų43.59%0.09122%0.218CC..G310 helixtrans-88.6-0.4175.2-49.2-176.7-174.7175.6-1.2113.2F167 I168 F235 P353 A354F167-R170 WeakPolarHBondContact O-CB 3.45Å; F167-R170 WeakPolarHBondContact O-CG 3.29Å; F167-R170 PolarHBondContact O-N 2.78Å; I168-R170 PolarHBondContact O-N 2.92Å; R170-F235 HydrophobicContact CB-CD1 4Å; R170-F235 HydrophobicContact CB-CE1 4.04Å; R170-F235 HydrophobicContact CG-CD1 3.82Å; R170-F235 HydrophobicContact CG-CE1 4.16Å; R170-P353 CarbonylContact O-C 3.58Å; R170-P353 WeakPolarHBondContact O-CA 3.13Å; R170-A354 WeakPolarHBondContact O-CB 3.34Å; R170-A354 PolarHBondContact O-N 3.34Å
171W94.1Very high93.3Very high15 Ų1547.4 Ų47.46%0.05725%0.245CC..EExtended strand (participates in β ladder)trans-111.1144.4-179-69.373.8000111.1F31 C36 F38 F167 I168 D169 F351 L352 P353F31-W171 HydrophobicContact CB-CZ2 4.44Å; C36-W171 HydrophobicContact CB-CZ2 3.99Å; F38-W171 AromaticContact CE1-CD2 3.82Å; F38-W171 HydrophobicContact CE1-CD2 3.82Å; F38-W171 AromaticContact CE1-CE2 3.72Å; F38-W171 HydrophobicContact CE1-CE3 4.22Å; F38-W171 HydrophobicContact CE1-CG 4.21Å; F38-W171 HydrophobicContact CE1-CZ2 4.1Å; F38-W171 AromaticContact CE1-NE1 3.96Å; F38-W171 HydrophobicContact CE2-CH2 4.49Å; F38-W171 HydrophobicContact CE2-CZ3 4.41Å; F38-W171 AromaticContact CZ-CD2 3.71Å; F38-W171 HydrophobicContact CZ-CD2 3.71Å; F38-W171 AromaticContact CZ-CE2 3.64Å; F38-W171 AromaticContact CZ-CE3 3.67Å; F38-W171 HydrophobicContact CZ-CE3 3.67Å; F38-W171 AromaticContact CZ-CH2 3.65Å; F38-W171 HydrophobicContact CZ-CH2 3.65Å; F38-W171 AromaticContact CZ-CZ2 3.63Å; F38-W171 HydrophobicContact CZ-CZ2 3.63Å; F38-W171 AromaticContact CZ-CZ3 3.63Å; F38-W171 HydrophobicContact CZ-CZ3 3.63Å; F167-W171 AromaticContact CD2-CD1 3.91Å; F167-W171 AromaticContact CD2-NE1 3.65Å; F167-W171 AromaticContact CE2-NE1 3.95Å; I168-W171 PolarHBondContact O-N 2.83Å; I168-W171 VanDerWaalsContact O-N 3.1Å; D169-W171 VanDerWaalsContact C-N 3.32Å; W171-F351 HydrophobicContact CB-CD1 4.38Å; W171-F351 HydrophobicContact CB-CD2 4.36Å; W171-F351 HydrophobicContact CB-CE1 3.64Å; W171-F351 HydrophobicContact CB-CE2 3.62Å; W171-F351 HydrophobicContact CB-CZ 3.22Å; W171-F351 HydrophobicContact CD2-CD1 4.32Å; W171-F351 HydrophobicContact CD2-CE1 4.01Å; W171-F351 AromaticContact CE3-CD1 3.62Å; W171-F351 HydrophobicContact CE3-CD1 3.62Å; W171-F351 AromaticContact CE3-CE1 3.79Å; W171-F351 HydrophobicContact CE3-CE1 3.79Å; W171-F351 HydrophobicContact CE3-CG 4.21Å; W171-F351 AromaticContact CG-CE1 3.98Å; W171-F351 HydrophobicContact CG-CE1 3.98Å; W171-F351 HydrophobicContact CG-CZ 4.04Å; W171-F351 HydrophobicContact CZ3-CD1 4.34Å; W171-F351 WeakPolarHBondContact CZ3-O 3.45Å; W171-L352 CarbonylContact C-O 3.54Å; W171-L352 WeakPolarHBondContact CA-O 3.43Å; W171-P353 HydrophobicContact CD2-CG 4.39Å; W171-P353 HydrophobicContact CE3-CG 4.41Å; W171-P353 HydrophobicContact CH2-CG 3.81Å; W171-P353 HydrophobicContact CZ2-CG 3.84Å; W171-P353 HydrophobicContact CZ3-CG 4.13Å
172V93.8Very high92.8Very high24 Ų2442.5 Ų42.515%0.14522%0.222CC..EExtended strand (participates in β ladder)trans-134.7139.6-174.4176.60000109.5F174 L230 T288 F351 L352 A354V172-F174 HydrophobicContact CB-CE2 3.88Å; V172-F174 HydrophobicContact CB-CZ 4.15Å; V172-F174 HydrophobicContact CG1-CD2 4.41Å; V172-F174 HydrophobicContact CG1-CE1 4.46Å; V172-F174 HydrophobicContact CG1-CE2 3.81Å; V172-F174 HydrophobicContact CG1-CZ 3.83Å; V172-F174 WeakPolarHBondContact O-CD2 3.48Å; V172-F174 WeakPolarHBondContact O-CE2 3.33Å; V172-L230 HydrophobicContact CG2-CD1 3.99Å; V172-T288 HydrophobicContact CG1-CG2 4.25Å; V172-F351 WeakPolarHBondContact O-CA 3.42Å; V172-F351 WeakPolarHBondContact O-CD2 3.45Å; V172-L352 PolarHBondContact N-O 3.09Å; V172-L352 PolarHBondContact O-N 3.38Å; V172-A354 HydrophobicContact CG2-CB 3.75Å
173S95.2Very high92.4Very high6 Ų645.5 Ų45.54%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-92.8135.4175.9-50.90000110.9F287 T288 A350 F351S173-F287 WeakPolarHBondContact O-CA 3.33Å; S173-T288 WeakPolarHBondContact O-CG2 3.25Å; S173-T288 PolarHBondContact O-N 3.47Å; S173-A350 CarbonylContact C-O 3.43Å; S173-A350 VanDerWaalsContact CA-O 3.32Å; S173-A350 WeakPolarHBondContact CA-O 3.26Å; S173-F351 WeakPolarHBondContact OG-CD2 3.26Å
174F95.2Very high92Very high0 Ų042.9 Ų42.90%022%0.223CC..EExtended strand (participates in β ladder)trans-121.4149.1176.6-58.1-100.3000108.7V172 L229 T288 L290 I292 I349 A350 L352 L361V172-F174 HydrophobicContact CB-CE2 3.88Å; V172-F174 HydrophobicContact CB-CZ 4.15Å; V172-F174 HydrophobicContact CG1-CD2 4.41Å; V172-F174 HydrophobicContact CG1-CE1 4.46Å; V172-F174 HydrophobicContact CG1-CE2 3.81Å; V172-F174 HydrophobicContact CG1-CZ 3.83Å; V172-F174 WeakPolarHBondContact O-CD2 3.48Å; V172-F174 WeakPolarHBondContact O-CE2 3.33Å; F174-L229 HydrophobicContact CE1-CB 4.46Å; F174-L229 HydrophobicContact CE1-CD1 3.89Å; F174-L229 HydrophobicContact CE2-CD1 4.23Å; F174-L229 HydrophobicContact CZ-CB 4.43Å; F174-L229 HydrophobicContact CZ-CD1 3.58Å; F174-T288 HydrophobicContact CB-CG2 4.36Å; F174-T288 HydrophobicContact CD1-CG2 3.22Å; F174-T288 HydrophobicContact CE1-CG2 3.51Å; F174-T288 HydrophobicContact CG-CG2 3.85Å; F174-T288 HydrophobicContact CZ-CG2 4.34Å; F174-L290 HydrophobicContact CE1-CD1 4.04Å; F174-I292 HydrophobicContact CB-CD1 3.84Å; F174-I292 HydrophobicContact CD1-CD1 3.65Å; F174-I292 HydrophobicContact CG-CD1 4.23Å; F174-I349 WeakPolarHBondContact O-CA 3.3Å; F174-A350 HydrophobicContact CB-CB 4.33Å; F174-A350 PolarHBondContact N-O 3.02Å; F174-A350 PolarHBondContact O-N 3.46Å; F174-L352 HydrophobicContact CE2-CB 4.25Å; F174-L361 HydrophobicContact CB-CD1 3.62Å; F174-L361 HydrophobicContact CD1-CD1 3.9Å; F174-L361 HydrophobicContact CD1-CD2 3.75Å; F174-L361 HydrophobicContact CD2-CD1 3.89Å; F174-L361 HydrophobicContact CE1-CD2 4.12Å; F174-L361 HydrophobicContact CG-CD1 3.53Å; F174-L361 HydrophobicContact CG-CD2 4.27Å
175K94.8Very high91.5Very high105 Ų10544.4 Ų44.446%0.45723%0.229SC..EExtended strand (participates in β ladder)trans-133.5148.9174.563.5176.6-179.1179.60111.2F287 G348K175-F287 HydrophobicContact CB-CD1 3.76Å; K175-F287 HydrophobicContact CB-CE1 3.75Å; K175-F287 HydrophobicContact CB-CG 4.29Å; K175-F287 HydrophobicContact CB-CZ 4.25Å; K175-F287 HydrophobicContact CD-CB 4.28Å; K175-F287 HydrophobicContact CD-CD1 4.19Å; K175-F287 HydrophobicContact CD-CD2 3.82Å; K175-F287 HydrophobicContact CD-CE1 4.48Å; K175-F287 HydrophobicContact CD-CE2 4.1Å; K175-F287 HydrophobicContact CD-CG 3.85Å; K175-F287 HydrophobicContact CD-CZ 4.43Å; K175-F287 HydrophobicContact CG-CB 4.32Å; K175-F287 HydrophobicContact CG-CD1 3.97Å; K175-F287 HydrophobicContact CG-CD2 4.48Å; K175-F287 HydrophobicContact CG-CE1 4.39Å; K175-F287 HydrophobicContact CG-CG 4.03Å; K175-G348 CarbonylContact C-O 3.32Å; K175-G348 VanDerWaalsContact CA-O 3.29Å; K175-G348 WeakPolarHBondContact CA-O 3.43Å
176T94.6Very high91Very high9 Ų942.5 Ų42.56%0.05522%0.223CC..EExtended strand (participates in β ladder)trans-146.5-178.7170.2-166.60000108.6I292 I294 P347 G348 L365 L369T176-I292 WeakPolarHBondContact CB-O 3.23Å; T176-I292 PolarHBondContact OG1-O 3.44Å; T176-I294 HydrophobicContact CG2-CD1 3.76Å; T176-I294 HydrophobicContact CG2-CG1 4.22Å; T176-P347 WeakPolarHBondContact O-CA 3.45Å; T176-G348 PolarHBondContact N-O 2.97Å; T176-G348 PolarHBondContact O-N 2.88Å; T176-L365 HydrophobicContact CG2-CD1 4.07Å; T176-L365 HydrophobicContact CG2-CD2 3.9Å; T176-L365 HydrophobicContact CG2-CG 4.39Å; T176-L369 HydrophobicContact CG2-CD1 4.29Å
177H93Very high90.7Very high63 Ų6339.2 Ų39.229%0.29220%0.202SC..EExtended strand (participates in β ladder)trans-148.3154.6169.361.5-73.1000110.2R345 I346H177-R345 HydrophobicContact CB-CG 3.91Å; H177-R345 PolarHBondContact CD2-NE 3.34Å; H177-R345 PolarHBondContact CE1-NH2 2.99Å; H177-R345 VanDerWaalsContact CE1-NH2 3.25Å; H177-R345 VanDerWaalsContact CG-NH2 3.3Å; H177-R345 PolarHBondContact ND1-NH2 2.88Å; H177-R345 VanDerWaalsContact ND1-NH2 3.13Å; H177-R345 PolarHBondContact NE2-NH2 3.07Å; H177-I346 WeakPolarHBondContact CA-O 3.49Å
178I92.5Very high90.1Very high3 Ų344 Ų442%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-128.2161169.164.5-177000108.9Y206 L210 I294 F299 R345 I346 L369 I373I178-Y206 HydrophobicContact CD1-CE1 4.02Å; I178-Y206 VanDerWaalsContact CD1-OH 3.26Å; I178-Y206 WeakPolarHBondContact CD1-OH 3.34Å; I178-L210 HydrophobicContact CD1-CD1 4.28Å; I178-L210 HydrophobicContact CD1-CD2 4.18Å; I178-I294 HydrophobicContact CG2-CB 4.21Å; I178-I294 HydrophobicContact CG2-CG2 4.39Å; I178-F299 HydrophobicContact CB-CD1 4.41Å; I178-F299 HydrophobicContact CB-CE1 4.36Å; I178-F299 HydrophobicContact CD1-CE1 4.34Å; I178-F299 HydrophobicContact CG2-CD1 4.45Å; I178-F299 HydrophobicContact CG2-CE1 4.4Å; I178-R345 WeakPolarHBondContact O-CA 2.92Å; I178-I346 HydrophobicContact CG1-CB 3.89Å; I178-I346 PolarHBondContact N-O 3.14Å; I178-I346 PolarHBondContact O-N 2.71Å; I178-L369 HydrophobicContact CD1-CB 4.29Å; I178-L369 HydrophobicContact CD1-CD1 4.11Å; I178-L369 HydrophobicContact CD1-CD2 3.84Å; I178-L369 HydrophobicContact CD1-CG 4.3Å; I178-L369 HydrophobicContact CG1-CD2 3.96Å; I178-L369 HydrophobicContact CG2-CD1 4.09Å; I178-I373 HydrophobicContact CD1-CD1 4.22Å
179L89.6Confident89.6Confident83 Ų8345.7 Ų45.744%0.43525%0.245SC..EExtended strand (participates in β ladder)trans-98.8124.8167.5-69.6-172.8000110.3Y206 Q301 R345L179-Y206 PolarHBondContact O-OH 3.34Å; L179-Q301 HydrophobicContact CD1-CG 3.81Å; L179-Q301 VanDerWaalsContact CG-CD 3.44Å; L179-Q301 HydrophobicContact CG-CG 4.19Å; L179-Q301 VanDerWaalsContact CG-NE2 3.34Å; L179-R345 HydrophobicContact CD2-CB 4.15Å
180L89.1Confident89.2Confident3 Ų342.4 Ų42.42%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-94.8131.8167.9179.866.6000108.9L182 V203 Y206 I342 N343 G344 I346 I373 L398L180-L182 HydrophobicContact CD1-CB 4.38Å; L180-L182 HydrophobicContact CG-CB 4.39Å; L180-V203 HydrophobicContact CD1-CG2 4.21Å; L180-Y206 HydrophobicContact CD1-CD1 3.75Å; L180-Y206 HydrophobicContact CD1-CD2 4.26Å; L180-Y206 HydrophobicContact CD1-CE1 3.7Å; L180-Y206 HydrophobicContact CD1-CE2 4.2Å; L180-Y206 HydrophobicContact CD1-CG 4.02Å; L180-I342 HydrophobicContact CD2-CG2 4.47Å; L180-N343 CarbonylContact O-C 3.59Å; L180-N343 VanDerWaalsContact O-CA 3.29Å; L180-N343 WeakPolarHBondContact O-CA 3.35Å; L180-G344 PolarHBondContact N-O 3.13Å; L180-G344 PolarHBondContact O-N 3.02Å; L180-I346 HydrophobicContact CB-CD1 4.41Å; L180-I346 HydrophobicContact CB-CG1 3.83Å; L180-I373 HydrophobicContact CD2-CG2 4.4Å; L180-L398 HydrophobicContact CD2-CD1 3.77Å
181S86.1Confident89.1Confident86 Ų8646.6 Ų46.660%0.60124%0.244SC*.EExtended strand (participates in β ladder)trans-132.9107.4168.51780000107.8N343S181-N343 WeakPolarHBondContact CA-OD1 3.44Å; S181-N343 PolarHBondContact OG-OD1 3.47Å
182L87.6Confident88.9Confident9 Ų949.3 Ų49.35%0.04726%0.256CS..EExtended strand (participates in β ladder)trans-124.9126.3-172.5177.866.6000109.9L180 A202 V203 L341 I342 L377L180-L182 HydrophobicContact CD1-CB 4.38Å; L180-L182 HydrophobicContact CG-CB 4.39Å; L182-A202 HydrophobicContact CD1-CB 3.56Å; L182-A202 VanDerWaalsContact CD1-O 3.25Å; L182-A202 WeakPolarHBondContact CD1-O 3.48Å; L182-A202 HydrophobicContact CD2-CB 4.46Å; L182-A202 HydrophobicContact CG-CB 4.26Å; L182-V203 HydrophobicContact CD1-CB 4.32Å; L182-V203 HydrophobicContact CD2-CB 4.07Å; L182-V203 HydrophobicContact CD2-CG2 4.34Å; L182-L341 WeakPolarHBondContact O-CA 3.23Å; L182-I342 HydrophobicContact CB-CB 4.18Å; L182-I342 HydrophobicContact CD2-CD1 4.17Å; L182-I342 PolarHBondContact N-O 3Å; L182-I342 PolarHBondContact O-N 3.36Å; L182-L377 HydrophobicContact CD2-CD2 4.31Å
183E87.3Confident88.8Confident99 Ų9954.6 Ų54.646%0.46328%0.279SS..EExtended strand (participates in β ladder)trans-115.5130.2175.5-177.5178.5164.700109.8R339 L341E183-R339 VanDerWaalsContact CD-NE 3.26Å; E183-R339 HydrophobicContact CG-CG 4.43Å; E183-R339 IonicContact OE1-CZ 3.64Å; E183-R339 IonicContact OE1-NE 3.49Å; E183-R339 PolarHBondContact OE1-NE 3.15Å; E183-R339 IonicContact OE1-NH2 2.96Å; E183-R339 PolarHBondContact OE1-NH2 3.14Å; E183-R339 IonicContact OE2-CZ 3.24Å; E183-R339 IonicContact OE2-NE 3.6Å; E183-R339 IonicContact OE2-NH2 2.65Å; E183-R339 PolarHBondContact OE2-NH2 3.5Å; E183-L341 HydrophobicContact CB-CD1 4.31Å
184T89.2Confident88.6Confident10 Ų1059.1 Ų59.16%0.06130%0.298CS..EExtended strand (participates in β ladder)trans-153.8-174.2179-169.30000111L199 A202 L340T184-L199 HydrophobicContact CG2-CD2 3.99Å; T184-A202 HydrophobicContact CG2-CB 4.49Å; T184-L340 HydrophobicContact CG2-CB 4.09Å; T184-L340 HydrophobicContact CG2-CD2 4.1Å; T184-L340 HydrophobicContact CG2-CG 4.33Å; T184-L340 PolarHBondContact N-O 3.44Å; T184-L340 PolarHBondContact O-N 3.34Å
185H86.4Confident88.4Confident98 Ų9859.2 Ų59.245%0.45430%0.298SS..EExtended strand (participates in β ladder)trans-123138.1177.1-58.4-73.4000111.8N338H185-N338 CarbonylContact C-O 3.48Å; H185-N338 WeakPolarHBondContact CA-O 3.26Å
186L84.2Confident88.2Confident21 Ų2156.2 Ų56.211%0.1129%0.287CS..  trans-79.4126.8173.8-16767.2000110.2S188 R190 I195 N338 L384L186-S188 PolarHBondContact O-N 3.32Å; L186-R190 HydrophobicContact CD2-CG 4.32Å; L186-I195 HydrophobicContact CD1-CD1 4.25Å; L186-I195 HydrophobicContact CD1-CG1 3.86Å; L186-I195 HydrophobicContact CD1-CG2 4.07Å; L186-N338 PolarHBondContact N-O 3.4Å; L186-N338 WeakPolarHBondContact O-CB 3.42Å; L186-N338 PolarHBondContact O-ND2 3.39Å; L186-L384 HydrophobicContact CD1-CB 4.44Å; L186-L384 HydrophobicContact CD1-CD1 3.99Å; L186-L384 HydrophobicContact CD1-CD2 3.99Å; L186-L384 HydrophobicContact CD1-CG 4.4Å; L186-L384 HydrophobicContact CD2-CD2 4.08Å
187P84.7Confident88.1Confident21 Ų2163.2 Ų63.214%0.13631%0.313CS..  trans-59.9134.3174-22.832.7000111.9D189 R190 K194 I195 Q198P187-D189 PolarHBondContact O-N 2.85Å; P187-R190 WeakPolarHBondContact O-CG 3.29Å; P187-R190 PolarHBondContact O-N 3Å; P187-K194 HydrophobicContact CB-CB 4.15Å; P187-K194 HydrophobicContact CG-CB 3.88Å; P187-I195 HydrophobicContact CG-CG1 4.36Å; P187-Q198 HydrophobicContact CG-CG 3.83Å
188S81.1Confident88Confident104 Ų10463.9 Ų63.973%0.72732%0.316SS*.THydrogen-bonded Turntrans-61.4-29.3-178.7-48.50000113.7L186 R190 N338L186-S188 PolarHBondContact O-N 3.32Å; S188-R190 VanDerWaalsContact C-N 3.29Å; S188-N338 PolarHBondContact OG-ND2 2.85Å
189D82.3Confident87.9Confident68 Ų6863.9 Ų63.936%0.36432%0.316SS..THydrogen-bonded Turntrans-84.1-3.7178.668.9-23.2000113.7P187 K191 K194P187-D189 PolarHBondContact O-N 2.85Å; D189-K191 HydrophobicContact CB-CG 4.38Å; D189-K191 PolarHBondContact O-N 2.9Å; D189-K191 VanDerWaalsContact OD2-CD 3.32Å; D189-K191 WeakPolarHBondContact OD2-CD 3.17Å; D189-K191 WeakPolarHBondContact OD2-CE 3.34Å; D189-K191 WeakPolarHBondContact OD2-CG 3.4Å; D189-K194 VanDerWaalsContact OD1-CD 3.27Å; D189-K194 WeakPolarHBondContact OD1-CD 3.37Å; D189-K194 IonicContact OD1-NZ 2.77Å; D189-K194 VanDerWaalsContact OD2-CD 3.29Å; D189-K194 WeakPolarHBondContact OD2-CD 3.2Å; D189-K194 VanDerWaalsContact OD2-CE 3.32Å; D189-K194 WeakPolarHBondContact OD2-CE 3.3Å; D189-K194 IonicContact OD2-NZ 3.4Å; D189-K194 PolarHBondContact OD2-NZ 3.34Å
190R81.3Confident88.1Confident40 Ų4061.8 Ų61.815%0.15131%0.305CS..  trans44.431.6176.4-62.6-167.6175.5-163.11.3114.8L186 P187 S188 K192 I195 H385 T387 S388 A389L186-R190 HydrophobicContact CD2-CG 4.32Å; P187-R190 WeakPolarHBondContact O-CG 3.29Å; P187-R190 PolarHBondContact O-N 3Å; S188-R190 VanDerWaalsContact C-N 3.29Å; R190-K192 PolarHBondContact O-N 2.94Å; R190-I195 HydrophobicContact CB-CD1 4.19Å; R190-I195 WeakPolarHBondContact O-CD1 3.42Å; R190-H385 PolarHBondContact O-ND1 3.22Å; R190-T387 PolarHBondContact NH1-O 2.94Å; R190-S388 PolarHBondContact NH1-O 2.64Å; R190-A389 VanDerWaalsContact CZ-CA 3.44Å; R190-A389 PolarHBondContact NH2-O 3.4Å; R190-A389 VanDerWaalsContact NH2-O 3.15Å
191K89Confident88.2Confident112 Ų11263.6 Ų63.649%0.48732%0.32SS..  trans-70.4128.5173.8-67.8-172.1-177.2-172.60108.9D189 E193 K194 I195D189-K191 HydrophobicContact CB-CG 4.38Å; D189-K191 PolarHBondContact O-N 2.9Å; D189-K191 VanDerWaalsContact OD2-CD 3.32Å; D189-K191 WeakPolarHBondContact OD2-CD 3.17Å; D189-K191 WeakPolarHBondContact OD2-CE 3.34Å; D189-K191 WeakPolarHBondContact OD2-CG 3.4Å; K191-E193 VanDerWaalsContact C-N 3.26Å; K191-E193 PolarHBondContact O-N 2.61Å; K191-K194 HydrophobicContact CB-CB 4.34Å; K191-K194 HydrophobicContact CB-CD 4.27Å; K191-K194 HydrophobicContact CB-CG 4.27Å; K191-K194 WeakPolarHBondContact O-CA 3.05Å; K191-K194 WeakPolarHBondContact O-CB 2.9Å; K191-K194 PolarHBondContact O-N 2.99Å; K191-I195 WeakPolarHBondContact O-CG1 3.1Å; K191-I195 PolarHBondContact O-N 3.2Å
192K90Very high88.5Confident72 Ų7260.9 Ų60.931%0.31330%0.302SS..Hα-helixtrans-47.1-47-178.3179.6176170.6166.10112.9R190 K194 I195 L196 T381 E382 H385R190-K192 PolarHBondContact O-N 2.94Å; K192-K194 VanDerWaalsContact C-N 3.32Å; K192-K194 PolarHBondContact O-N 3.16Å; K192-I195 PolarHBondContact O-N 3.35Å; K192-L196 WeakPolarHBondContact O-CB 3.45Å; K192-L196 PolarHBondContact O-N 2.93Å; K192-T381 HydrophobicContact CG-CG2 3.84Å; K192-T381 VanDerWaalsContact O-CG2 3.25Å; K192-T381 WeakPolarHBondContact O-CG2 3.46Å; K192-E382 VanDerWaalsContact CE-CD 3.41Å; K192-E382 WeakPolarHBondContact CE-OE1 3.45Å; K192-E382 VanDerWaalsContact CE-OE2 3.23Å; K192-E382 WeakPolarHBondContact CE-OE2 3.47Å; K192-E382 IonicContact NZ-OE1 2.67Å; K192-E382 PolarHBondContact NZ-OE1 3.03Å; K192-E382 IonicContact NZ-OE2 3.7Å; K192-E382 PolarHBondContact NZ-OE2 3.45Å; K192-H385 HydrophobicContact CB-CB 4.29Å
193E90.6Very high88.7Confident135 Ų13560.4 Ų60.463%0.63130%0.3SS*.Hα-helixtrans-66-35.7-178.5-54.979.5-171.500112.2K191 Y197K191-E193 VanDerWaalsContact C-N 3.26Å; K191-E193 PolarHBondContact O-N 2.61Å; E193-Y197 VanDerWaalsContact O-CB 3.29Å; E193-Y197 WeakPolarHBondContact O-CB 3.15Å; E193-Y197 PolarHBondContact O-N 3.24Å
194K91Very high89Confident101 Ų10159 Ų5944%0.43929%0.294SS..Hα-helixtrans-74-40.1178.1-69.8-177173.2-176.40111.8P187 D189 K191 K192 Y197 Q198P187-K194 HydrophobicContact CB-CB 4.15Å; P187-K194 HydrophobicContact CG-CB 3.88Å; D189-K194 VanDerWaalsContact OD1-CD 3.27Å; D189-K194 WeakPolarHBondContact OD1-CD 3.37Å; D189-K194 IonicContact OD1-NZ 2.77Å; D189-K194 VanDerWaalsContact OD2-CD 3.29Å; D189-K194 WeakPolarHBondContact OD2-CD 3.2Å; D189-K194 VanDerWaalsContact OD2-CE 3.32Å; D189-K194 WeakPolarHBondContact OD2-CE 3.3Å; D189-K194 IonicContact OD2-NZ 3.4Å; D189-K194 PolarHBondContact OD2-NZ 3.34Å; K191-K194 HydrophobicContact CB-CB 4.34Å; K191-K194 HydrophobicContact CB-CD 4.27Å; K191-K194 HydrophobicContact CB-CG 4.27Å; K191-K194 WeakPolarHBondContact O-CA 3.05Å; K191-K194 WeakPolarHBondContact O-CB 2.9Å; K191-K194 PolarHBondContact O-N 2.99Å; K192-K194 VanDerWaalsContact C-N 3.32Å; K192-K194 PolarHBondContact O-N 3.16Å; K194-Y197 PolarHBondContact O-N 3.46Å; K194-Q198 WeakPolarHBondContact O-CG 3.24Å; K194-Q198 PolarHBondContact O-N 3.11Å
195I91Very high89.1Confident1 Ų162.2 Ų62.21%0.00531%0.314CS..Hα-helixtrans-59.1-52.1174.6-64.3166.2000108.7L186 P187 R190 K191 K192 Y197 Q198 L199 T381 L384 H385L186-I195 HydrophobicContact CD1-CD1 4.25Å; L186-I195 HydrophobicContact CD1-CG1 3.86Å; L186-I195 HydrophobicContact CD1-CG2 4.07Å; P187-I195 HydrophobicContact CG-CG1 4.36Å; R190-I195 HydrophobicContact CB-CD1 4.19Å; R190-I195 WeakPolarHBondContact O-CD1 3.42Å; K191-I195 WeakPolarHBondContact O-CG1 3.1Å; K191-I195 PolarHBondContact O-N 3.2Å; K192-I195 PolarHBondContact O-N 3.35Å; I195-Y197 VanDerWaalsContact C-N 3.33Å; I195-Y197 PolarHBondContact O-N 3.38Å; I195-Q198 PolarHBondContact O-N 3.34Å; I195-Q198 VanDerWaalsContact O-N 3.16Å; I195-L199 HydrophobicContact CG2-CD1 4.05Å; I195-L199 HydrophobicContact CG2-CG 4.41Å; I195-L199 WeakPolarHBondContact O-CG 3.38Å; I195-L199 PolarHBondContact O-N 3.12Å; I195-T381 HydrophobicContact CB-CG2 3.96Å; I195-T381 HydrophobicContact CG2-CG2 3.87Å; I195-L384 HydrophobicContact CD1-CB 4.13Å; I195-L384 HydrophobicContact CG2-CB 4.1Å; I195-L384 HydrophobicContact CG2-CD1 3.84Å; I195-H385 HydrophobicContact CD1-CB 4.33Å
196L91.7Very high89.4Confident42 Ų4258.6 Ų58.622%0.2230%0.297CS..Hα-helixtrans-58.6-45.8179.9-176.759.6000111.5K192 Q198 L199 Q200 T381K192-L196 WeakPolarHBondContact O-CB 3.45Å; K192-L196 PolarHBondContact O-N 2.93Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-Q198 PolarHBondContact O-N 3.47Å; L196-L199 PolarHBondContact O-N 3.19Å; L196-Q200 HydrophobicContact CD1-CG 4.03Å; L196-Q200 HydrophobicContact CG-CG 4.26Å; L196-Q200 WeakPolarHBondContact O-CB 3.35Å; L196-Q200 VanDerWaalsContact O-CG 3.28Å; L196-Q200 WeakPolarHBondContact O-CG 3.44Å; L196-Q200 PolarHBondContact O-N 2.94Å; L196-T381 HydrophobicContact CB-CG2 3.82Å
197Y91.8Very high89.8Confident157 Ų15757.6 Ų57.662%0.61629%0.292SS*.Hα-helixtrans-57.8-44.9177.1178.2-97.3000112.3E193 K194 I195 Q200 A201E193-Y197 VanDerWaalsContact O-CB 3.29Å; E193-Y197 WeakPolarHBondContact O-CB 3.15Å; E193-Y197 PolarHBondContact O-N 3.24Å; K194-Y197 PolarHBondContact O-N 3.46Å; I195-Y197 VanDerWaalsContact C-N 3.33Å; I195-Y197 PolarHBondContact O-N 3.38Å; Y197-Q200 PolarHBondContact O-N 2.99Å; Y197-A201 VanDerWaalsContact O-CB 3.26Å; Y197-A201 WeakPolarHBondContact O-CB 3.48Å; Y197-A201 PolarHBondContact O-N 3.39Å
198Q91.2Very high90.2Very high76 Ų7660.4 Ų60.436%0.35530%0.303SS..Hα-helixtrans-65.2-41.4178.1-71.6-62-11.400112.6P187 K194 I195 L196 A202P187-Q198 HydrophobicContact CG-CG 3.83Å; K194-Q198 WeakPolarHBondContact O-CG 3.24Å; K194-Q198 PolarHBondContact O-N 3.11Å; I195-Q198 PolarHBondContact O-N 3.34Å; I195-Q198 VanDerWaalsContact O-N 3.16Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-Q198 PolarHBondContact O-N 3.47Å; Q198-A202 VanDerWaalsContact O-CB 3.26Å; Q198-A202 WeakPolarHBondContact O-CB 3.47Å; Q198-A202 PolarHBondContact O-N 2.95Å
199L91.6Very high90.7Very high3 Ų355.6 Ų55.62%0.01627%0.269CS..Hα-helixtrans-64.4-44.6176.4-67.8178.4000111.5T184 I195 L196 A202 V203 L340 I342 L377 T381 L384T184-L199 HydrophobicContact CG2-CD2 3.99Å; I195-L199 HydrophobicContact CG2-CD1 4.05Å; I195-L199 HydrophobicContact CG2-CG 4.41Å; I195-L199 WeakPolarHBondContact O-CG 3.38Å; I195-L199 PolarHBondContact O-N 3.12Å; L196-L199 PolarHBondContact O-N 3.19Å; L199-A202 PolarHBondContact O-N 3.24Å; L199-V203 PolarHBondContact O-N 2.86Å; L199-V203 VanDerWaalsContact O-N 3.11Å; L199-L340 HydrophobicContact CD2-CD2 3.96Å; L199-I342 HydrophobicContact CD2-CD1 3.65Å; L199-L377 HydrophobicContact CB-CD2 4.33Å; L199-L377 HydrophobicContact CD1-CB 4.49Å; L199-L377 HydrophobicContact CD1-CD2 4.38Å; L199-L377 HydrophobicContact CD2-CD2 4.35Å; L199-T381 WeakPolarHBondContact CD1-OG1 3.35Å; L199-L384 HydrophobicContact CD1-CD1 4.43Å
200Q92.6Very high91.2Very high40 Ų4052.3 Ų52.319%0.18725%0.252CS..Hα-helixtrans-64.6-45.9178.4-74.5-179.1-25.800111.9L119 L196 Y197 A202 V203 E204L119-Q200 HydrophobicContact CD2-CB 3.86Å; L119-Q200 HydrophobicContact CD2-CG 3.63Å; L196-Q200 HydrophobicContact CD1-CG 4.03Å; L196-Q200 HydrophobicContact CG-CG 4.26Å; L196-Q200 WeakPolarHBondContact O-CB 3.35Å; L196-Q200 VanDerWaalsContact O-CG 3.28Å; L196-Q200 WeakPolarHBondContact O-CG 3.44Å; L196-Q200 PolarHBondContact O-N 2.94Å; Y197-Q200 PolarHBondContact O-N 2.99Å; Q200-A202 VanDerWaalsContact C-N 3.32Å; Q200-A202 PolarHBondContact O-N 2.91Å; Q200-V203 WeakPolarHBondContact O-CG1 3.38Å; Q200-V203 PolarHBondContact O-N 3.14Å; Q200-E204 WeakPolarHBondContact O-CB 3.35Å; Q200-E204 PolarHBondContact O-N 2.79Å
201A91.7Very high91.8Very high41 Ų4151.7 Ų51.734%0.33925%0.252SS..Hα-helixtrans-62.5-39.717800000112Y197Y197-A201 VanDerWaalsContact O-CB 3.26Å; Y197-A201 WeakPolarHBondContact O-CB 3.48Å; Y197-A201 PolarHBondContact O-N 3.39Å
202A92.3Very high91.9Very high28 Ų2850.3 Ų50.323%0.23125%0.253CS..Hα-helixtrans-69.1-37.4179.900000112.3L182 T184 Q198 L199 Q200 P205L182-A202 HydrophobicContact CD1-CB 3.56Å; L182-A202 VanDerWaalsContact CD1-O 3.25Å; L182-A202 WeakPolarHBondContact CD1-O 3.48Å; L182-A202 HydrophobicContact CD2-CB 4.46Å; L182-A202 HydrophobicContact CG-CB 4.26Å; T184-A202 HydrophobicContact CG2-CB 4.49Å; Q198-A202 VanDerWaalsContact O-CB 3.26Å; Q198-A202 WeakPolarHBondContact O-CB 3.47Å; Q198-A202 PolarHBondContact O-N 2.95Å; L199-A202 PolarHBondContact O-N 3.24Å; Q200-A202 VanDerWaalsContact C-N 3.32Å; Q200-A202 PolarHBondContact O-N 2.91Å; A202-P205 WeakPolarHBondContact O-CD 3.43Å
203V92.6Very high92Very high0 Ų050.9 Ų50.90%026%0.257CS..Hα-helixtrans-83.5-18.5-177.981.90000113.3L180 L182 L199 Q200 P205 Y206 L207 I373 L374 L377L180-V203 HydrophobicContact CD1-CG2 4.21Å; L182-V203 HydrophobicContact CD1-CB 4.32Å; L182-V203 HydrophobicContact CD2-CB 4.07Å; L182-V203 HydrophobicContact CD2-CG2 4.34Å; L199-V203 PolarHBondContact O-N 2.86Å; L199-V203 VanDerWaalsContact O-N 3.11Å; Q200-V203 WeakPolarHBondContact O-CG1 3.38Å; Q200-V203 PolarHBondContact O-N 3.14Å; V203-P205 VanDerWaalsContact C-CD 3.48Å; V203-Y206 WeakPolarHBondContact O-CB 3.47Å; V203-Y206 PolarHBondContact O-N 3.37Å; V203-L207 HydrophobicContact CG1-CD1 3.86Å; V203-L207 HydrophobicContact CG1-CG 4.21Å; V203-L207 HydrophobicContact CG2-CD2 4.42Å; V203-L207 HydrophobicContact CG2-CG 4.18Å; V203-L207 PolarHBondContact O-N 3.42Å; V203-I373 HydrophobicContact CG2-CG2 3.73Å; V203-L374 HydrophobicContact CG1-CD2 4.36Å; V203-L377 HydrophobicContact CB-CD1 3.93Å; V203-L377 HydrophobicContact CG1-CD1 3.63Å; V203-L377 HydrophobicContact CG2-CD1 4.17Å
204E92.4Very high92.1Very high70 Ų7044.7 Ų44.733%0.32723%0.228SC..Hα-helixtrans-50.9-46.7-175-163.2-173.8134.900114.2K122 F123 Q200 Y206 L207 Q208K122-E204 VanDerWaalsContact NZ-CD 3.33Å; K122-E204 IonicContact NZ-OE1 2.67Å; K122-E204 PolarHBondContact NZ-OE1 3.33Å; K122-E204 IonicContact NZ-OE2 3.77Å; F123-E204 HydrophobicContact CE2-CG 4.21Å; F123-E204 HydrophobicContact CZ-CG 3.63Å; Q200-E204 WeakPolarHBondContact O-CB 3.35Å; Q200-E204 PolarHBondContact O-N 2.79Å; E204-Y206 VanDerWaalsContact C-N 3.31Å; E204-Y206 PolarHBondContact O-N 2.91Å; E204-L207 PolarHBondContact O-N 3.07Å; E204-Q208 WeakPolarHBondContact O-CB 3.43Å; E204-Q208 PolarHBondContact O-N 3.14Å
205P91.7Very high92.1Very high76 Ų7644.2 Ų44.249%0.49423%0.228SC..Hα-helixtrans-64.5-35.9179.2-20.534.3000112.8A202 V203 Q208 S209A202-P205 WeakPolarHBondContact O-CD 3.43Å; V203-P205 VanDerWaalsContact C-CD 3.48Å; P205-Q208 PolarHBondContact O-N 3.03Å; P205-S209 PolarHBondContact O-N 2.95Å
206Y92.2Very high92.2Very high23 Ų2344.3 Ų44.39%0.0923%0.228CC..Hα-helixtrans-67.5-44.8177.4179.8-88.3000111I178 L179 L180 V203 E204 Q208 S209 L210 F299 I373I178-Y206 HydrophobicContact CD1-CE1 4.02Å; I178-Y206 VanDerWaalsContact CD1-OH 3.26Å; I178-Y206 WeakPolarHBondContact CD1-OH 3.34Å; L179-Y206 PolarHBondContact O-OH 3.34Å; L180-Y206 HydrophobicContact CD1-CD1 3.75Å; L180-Y206 HydrophobicContact CD1-CD2 4.26Å; L180-Y206 HydrophobicContact CD1-CE1 3.7Å; L180-Y206 HydrophobicContact CD1-CE2 4.2Å; L180-Y206 HydrophobicContact CD1-CG 4.02Å; V203-Y206 WeakPolarHBondContact O-CB 3.47Å; V203-Y206 PolarHBondContact O-N 3.37Å; E204-Y206 VanDerWaalsContact C-N 3.31Å; E204-Y206 PolarHBondContact O-N 2.91Å; Y206-Q208 VanDerWaalsContact C-N 3.31Å; Y206-Q208 PolarHBondContact O-N 3.11Å; Y206-S209 PolarHBondContact O-N 3.19Å; Y206-L210 WeakPolarHBondContact O-CB 3.27Å; Y206-L210 PolarHBondContact O-N 3.26Å; Y206-F299 HydrophobicContact CD2-CZ 4.44Å; Y206-F299 HydrophobicContact CE1-CE1 4.13Å; Y206-F299 HydrophobicContact CE1-CZ 4.3Å; Y206-F299 HydrophobicContact CE2-CD1 4.3Å; Y206-F299 AromaticContact CE2-CE1 3.63Å; Y206-F299 HydrophobicContact CE2-CE1 3.63Å; Y206-F299 AromaticContact CE2-CZ 3.91Å; Y206-F299 HydrophobicContact CE2-CZ 3.91Å; Y206-F299 AromaticContact CZ-CE1 3.38Å; Y206-F299 AromaticContact CZ-CZ 3.86Å; Y206-F299 WeakPolarHBondContact OH-CE1 3.24Å; Y206-I373 HydrophobicContact CD1-CD1 4.33Å; Y206-I373 HydrophobicContact CE1-CD1 3.85Å
207L93.3Very high92.3Very high0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-63.2-38.4175.6-63.1-176.7000111.8F123 V203 E204 L210 V211 V370 I373 L374F123-L207 HydrophobicContact CD1-CB 4.03Å; F123-L207 HydrophobicContact CD2-CB 4.05Å; F123-L207 HydrophobicContact CD2-CD1 3.92Å; F123-L207 HydrophobicContact CE1-CB 3.89Å; F123-L207 HydrophobicContact CE2-CB 3.89Å; F123-L207 HydrophobicContact CE2-CD1 3.86Å; F123-L207 HydrophobicContact CG-CB 4.11Å; F123-L207 HydrophobicContact CZ-CB 3.8Å; V203-L207 HydrophobicContact CG1-CD1 3.86Å; V203-L207 HydrophobicContact CG1-CG 4.21Å; V203-L207 HydrophobicContact CG2-CD2 4.42Å; V203-L207 HydrophobicContact CG2-CG 4.18Å; V203-L207 PolarHBondContact O-N 3.42Å; E204-L207 PolarHBondContact O-N 3.07Å; L207-L210 HydrophobicContact CD2-CD2 4.49Å; L207-L210 WeakPolarHBondContact O-CB 3.5Å; L207-L210 PolarHBondContact O-N 3.37Å; L207-V211 WeakPolarHBondContact O-CG2 3.49Å; L207-V211 PolarHBondContact O-N 2.88Å; L207-V211 VanDerWaalsContact O-N 3.1Å; L207-V370 HydrophobicContact CD2-CG2 4.23Å; L207-I373 HydrophobicContact CD2-CB 4.3Å; L207-I373 HydrophobicContact CD2-CD1 3.77Å; L207-I373 HydrophobicContact CD2-CG2 4.15Å; L207-L374 HydrophobicContact CD1-CD1 4.37Å; L207-L374 HydrophobicContact CD1-CD2 3.7Å; L207-L374 HydrophobicContact CD1-CG 4.06Å
208Q92.2Very high92.3Very high80 Ų8037 Ų3737%0.37420%0.2SC..Hα-helixtrans-59.9-52.1174.9-17463.247.200111F123 E204 P205 Y206 L210 V211 T212F123-Q208 HydrophobicContact CE1-CB 3.95Å; E204-Q208 WeakPolarHBondContact O-CB 3.43Å; E204-Q208 PolarHBondContact O-N 3.14Å; P205-Q208 PolarHBondContact O-N 3.03Å; Y206-Q208 VanDerWaalsContact C-N 3.31Å; Y206-Q208 PolarHBondContact O-N 3.11Å; Q208-L210 VanDerWaalsContact C-N 3.31Å; Q208-L210 PolarHBondContact O-N 2.84Å; Q208-V211 WeakPolarHBondContact O-CG2 3.43Å; Q208-V211 PolarHBondContact O-N 3.41Å; Q208-T212 PolarHBondContact O-N 3.25Å; Q208-T212 PolarHBondContact O-OG1 3.13Å
209S92.2Very high92.3Very high2 Ų237.6 Ų37.61%0.01421%0.206CC..Hα-helixtrans-59.9-41.1176.9-177.80000111.7P205 Y206 V211 T212 E213P205-S209 PolarHBondContact O-N 2.95Å; Y206-S209 PolarHBondContact O-N 3.19Å; S209-V211 VanDerWaalsContact C-N 3.29Å; S209-V211 PolarHBondContact O-N 3.11Å; S209-T212 PolarHBondContact O-N 2.84Å; S209-E213 WeakPolarHBondContact CB-OE2 3.45Å; S209-E213 WeakPolarHBondContact O-CB 3.44Å; S209-E213 PolarHBondContact O-N 3.14Å; S209-E213 PolarHBondContact OG-OE2 2.9Å
210L93.2Very high92.2Very high0 Ų040 Ų400%023%0.231CC..Hα-helixtrans-55-42.5176-179.759.1000112.1I178 Y206 L207 Q208 T214 I294 F299 R366 L369 V370I178-L210 HydrophobicContact CD1-CD1 4.28Å; I178-L210 HydrophobicContact CD1-CD2 4.18Å; Y206-L210 WeakPolarHBondContact O-CB 3.27Å; Y206-L210 PolarHBondContact O-N 3.26Å; L207-L210 HydrophobicContact CD2-CD2 4.49Å; L207-L210 WeakPolarHBondContact O-CB 3.5Å; L207-L210 PolarHBondContact O-N 3.37Å; Q208-L210 VanDerWaalsContact C-N 3.31Å; Q208-L210 PolarHBondContact O-N 2.84Å; L210-T214 HydrophobicContact CD1-CG2 4.07Å; L210-T214 WeakPolarHBondContact O-CG2 3.26Å; L210-T214 PolarHBondContact O-OG1 3.39Å; L210-I294 HydrophobicContact CD1-CG2 4.38Å; L210-F299 HydrophobicContact CB-CZ 3.94Å; L210-F299 HydrophobicContact CD1-CE1 4.21Å; L210-F299 HydrophobicContact CD1-CZ 3.95Å; L210-R366 PolarHBondContact O-NE 3.22Å; L210-R366 VanDerWaalsContact O-NE 3.16Å; L210-L369 HydrophobicContact CD1-CD1 4.33Å; L210-L369 HydrophobicContact CD2-CB 3.87Å; L210-V370 HydrophobicContact CD2-CG2 4.02Å
211V92.7Very high92.1Very high26 Ų2643.3 Ų43.316%0.15825%0.246CC..Hα-helixtrans-88.6-25.3-176.4-57.70000114.3F123 L207 Q208 S209 R366 V370F123-V211 HydrophobicContact CB-CG1 4.29Å; F123-V211 HydrophobicContact CD1-CG2 3.97Å; L207-V211 WeakPolarHBondContact O-CG2 3.49Å; L207-V211 PolarHBondContact O-N 2.88Å; L207-V211 VanDerWaalsContact O-N 3.1Å; Q208-V211 WeakPolarHBondContact O-CG2 3.43Å; Q208-V211 PolarHBondContact O-N 3.41Å; S209-V211 VanDerWaalsContact C-N 3.29Å; S209-V211 PolarHBondContact O-N 3.11Å; V211-R366 PolarHBondContact O-NH1 3.01Å; V211-V370 HydrophobicContact CG1-CG2 3.83Å
212T91.7Very high92.1Very high83 Ų8345.9 Ų45.951%0.50925%0.254SS..Hα-helixtrans-102.8-30.7-177.552.90000115.4Q208 S209Q208-T212 PolarHBondContact O-N 3.25Å; Q208-T212 PolarHBondContact O-OG1 3.13Å; S209-T212 PolarHBondContact O-N 2.84Å
213E91.7Very high91.9Very high85 Ų8548.2 Ų48.240%0.39726%0.257SS..THydrogen-bonded Turntrans-113-14.2-165.3-62.7169.2-175.700113.7S209 P297S209-E213 WeakPolarHBondContact CB-OE2 3.45Å; S209-E213 WeakPolarHBondContact O-CB 3.44Å; S209-E213 PolarHBondContact O-N 3.14Å; S209-E213 PolarHBondContact OG-OE2 2.9Å; E213-P297 HydrophobicContact CB-CG 3.97Å; E213-P297 HydrophobicContact CG-CG 4.42Å; E213-P297 WeakPolarHBondContact OE2-CG 3.41Å
214T93Very high91.8Very high4 Ų454.6 Ų54.63%0.02529%0.286CS..  trans-77.6156.7-175.860.30000113.4L210 I294 F295 F299 R366L210-T214 HydrophobicContact CD1-CG2 4.07Å; L210-T214 WeakPolarHBondContact O-CG2 3.26Å; L210-T214 PolarHBondContact O-OG1 3.39Å; T214-I294 HydrophobicContact CG2-CG2 3.77Å; T214-F295 CarbonylContact C-O 3.51Å; T214-F295 WeakPolarHBondContact CA-O 3.22Å; T214-F295 WeakPolarHBondContact CB-O 3.32Å; T214-F299 HydrophobicContact CG2-CD2 3.84Å; T214-F299 HydrophobicContact CG2-CE2 3.5Å; T214-F299 HydrophobicContact CG2-CZ 4.02Å; T214-R366 PolarHBondContact O-NH2 3.48Å; T214-R366 PolarHBondContact OG1-NE 3.36Å; T214-R366 PolarHBondContact OG1-NH2 2.88Å
215Q92.5Very high91.8Very high91 Ų9154.2 Ų54.243%0.42530%0.295SS..EExtended strand (participates in β ladder)trans-134.5170.7172.7-71.8179.661.800109.4L222 I294 F295Q215-L222 HydrophobicContact CB-CD1 4.26Å; Q215-I294 WeakPolarHBondContact O-CA 3.48Å; Q215-F295 HydrophobicContact CB-CD1 4.13Å; Q215-F295 HydrophobicContact CB-CE1 3.42Å; Q215-F295 VanDerWaalsContact CB-CE1 3.42Å; Q215-F295 HydrophobicContact CB-CE2 4.25Å; Q215-F295 HydrophobicContact CB-CZ 3.51Å; Q215-F295 HydrophobicContact CG-CZ 4.41Å; Q215-F295 PolarHBondContact N-O 3.24Å; Q215-F295 WeakPolarHBondContact O-CD1 3.27Å; Q215-F295 PolarHBondContact O-N 3.41Å; Q215-F295 VanDerWaalsContact O-N 3.09Å
216L92.8Very high91.8Very high4 Ų456.6 Ų56.62%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-115.7123.6-176-158.868.4000110.5I218 I292 I294 V358 L361 L362 L365L216-I218 HydrophobicContact CD2-CD1 4.12Å; L216-I218 HydrophobicContact CD2-CG1 4.09Å; L216-I218 HydrophobicContact CG-CG1 4.25Å; L216-I292 HydrophobicContact CD1-CG2 3.43Å; L216-I292 VanDerWaalsContact CD1-CG2 3.43Å; L216-I292 HydrophobicContact CD2-CG2 4.29Å; L216-I292 HydrophobicContact CG-CG2 4.05Å; L216-I294 HydrophobicContact CD1-CG1 3.74Å; L216-V358 HydrophobicContact CB-CG1 4.44Å; L216-V358 HydrophobicContact CD2-CG1 4.15Å; L216-L361 HydrophobicContact CD2-CB 4.29Å; L216-L361 HydrophobicContact CD2-CD2 3.68Å; L216-L361 HydrophobicContact CD2-CG 3.85Å; L216-L362 HydrophobicContact CB-CB 4.49Å; L216-L362 HydrophobicContact CB-CD1 4.3Å; L216-L362 HydrophobicContact CD1-CD1 4.33Å; L216-L362 HydrophobicContact CD2-CB 4.47Å; L216-L365 HydrophobicContact CD1-CD1 4.1Å
217L92.3Very high91.8Very high32 Ų3257.4 Ų57.417%0.16831%0.308CS..EExtended strand (participates in β ladder)trans-95.5136.3161.9-59.8174000108.7E221 L222 I292 V293 F295L217-E221 WeakPolarHBondContact CA-O 3.25Å; L217-L222 HydrophobicContact CD2-CB 3.89Å; L217-L222 HydrophobicContact CD2-CD1 4.41Å; L217-I292 WeakPolarHBondContact O-CA 3.08Å; L217-V293 HydrophobicContact CB-CB 4.3Å; L217-V293 PolarHBondContact N-O 2.86Å; L217-V293 PolarHBondContact O-N 3.38Å; L217-F295 HydrophobicContact CD1-CD1 4.06Å; L217-F295 HydrophobicContact CD1-CE1 4.25Å; L217-F295 HydrophobicContact CD2-CD1 4.31Å; L217-F295 HydrophobicContact CD2-CE1 3.69Å; L217-F295 HydrophobicContact CD2-CZ 4.24Å; L217-F295 HydrophobicContact CG-CD1 3.65Å; L217-F295 HydrophobicContact CG-CE1 3.53Å; L217-F295 HydrophobicContact CG-CZ 4.45Å
218I92Very high91.7Very high12 Ų1262.2 Ų62.26%0.06233%0.33CS..EExtended strand (participates in β ladder)trans-121.6118.5172.6-57.9173.2000107.3L216 G220 E221 R223 L229 L290 D291 V358L216-I218 HydrophobicContact CD2-CD1 4.12Å; L216-I218 HydrophobicContact CD2-CG1 4.09Å; L216-I218 HydrophobicContact CG-CG1 4.25Å; I218-G220 PolarHBondContact O-N 3.38Å; I218-E221 PolarHBondContact N-O 3.44Å; I218-E221 PolarHBondContact O-N 2.86Å; I218-E221 VanDerWaalsContact O-N 3.12Å; I218-R223 HydrophobicContact CB-CG 4.22Å; I218-R223 HydrophobicContact CD1-CG 4.31Å; I218-L229 HydrophobicContact CD1-CD2 3.72Å; I218-L290 HydrophobicContact CG2-CB 4.36Å; I218-L290 HydrophobicContact CG2-CD1 4.24Å; I218-L290 HydrophobicContact CG2-CD2 4.27Å; I218-D291 CarbonylContact C-O 3.55Å; I218-D291 WeakPolarHBondContact CA-O 3.42Å; I218-V358 HydrophobicContact CD1-CG1 4.28Å; I218-V358 HydrophobicContact CD1-CG2 3.83Å
219N91.2Very high91.2Very high90 Ų9059.4 Ų59.448%0.48132%0.317SS..THydrogen-bonded Turntrans52.941.2-172.8-57.6-27.2000112.2E221 L290 D291N219-E221 VanDerWaalsContact C-N 3.25Å; N219-E221 PolarHBondContact O-N 3.2Å; N219-L290 WeakPolarHBondContact ND2-CD2 3.32Å; N219-D291 PolarHBondContact N-O 2.8Å; N219-D291 PolarHBondContact OD1-N 3Å
220G89.7Confident90.4Very high53 Ų5361.2 Ų61.255%0.54633%0.326SS..THydrogen-bonded Turntrans77.8-3.3-179.500000115.7I218I218-G220 PolarHBondContact O-N 3.38Å
221E90.7Very high89.1Confident109 Ų10967.7 Ų67.751%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-107.3138.1-178.1-65.2-178.5166.200112.1L217 I218 N219 R223L217-E221 WeakPolarHBondContact CA-O 3.25Å; I218-E221 PolarHBondContact N-O 3.44Å; I218-E221 PolarHBondContact O-N 2.86Å; I218-E221 VanDerWaalsContact O-N 3.12Å; N219-E221 VanDerWaalsContact C-N 3.25Å; N219-E221 PolarHBondContact O-N 3.2Å; E221-R223 PolarHBondContact O-N 2.95Å; E221-R223 IonicContact OE2-CZ 3.52Å; E221-R223 VanDerWaalsContact OE2-CZ 3.27Å; E221-R223 IonicContact OE2-NE 2.68Å; E221-R223 IonicContact OE2-NH2 2.62Å; E221-R223 PolarHBondContact OE2-NH2 3.4Å
222L91.1Very high87Confident95 Ų9574 Ų7450%0.49739%0.387SS..EExtended strand (participates in β ladder)trans-75.3122.8171.3-176.864.1000109.4Q215 L217 F295Q215-L222 HydrophobicContact CB-CD1 4.26Å; L217-L222 HydrophobicContact CD2-CB 3.89Å; L217-L222 HydrophobicContact CD2-CD1 4.41Å; L222-F295 HydrophobicContact CD1-CE1 4.17Å; L222-F295 HydrophobicContact CD1-CZ 4.14Å
223R88.3Confident85.1Confident77 Ų7773.8 Ų73.829%0.29138%0.381SS..  trans-108.5151.6-177.9-60.7-70.7-178.8161.7-6.4110.7I218 E221 E227 V358I218-R223 HydrophobicContact CB-CG 4.22Å; I218-R223 HydrophobicContact CD1-CG 4.31Å; E221-R223 PolarHBondContact O-N 2.95Å; E221-R223 IonicContact OE2-CZ 3.52Å; E221-R223 VanDerWaalsContact OE2-CZ 3.27Å; E221-R223 IonicContact OE2-NE 2.68Å; E221-R223 IonicContact OE2-NH2 2.62Å; E221-R223 PolarHBondContact OE2-NH2 3.4Å; R223-E227 WeakPolarHBondContact CD-OE2 3.37Å; R223-E227 IonicContact CZ-OE1 3.27Å; R223-E227 IonicContact NH1-OE1 3.74Å; R223-E227 PolarHBondContact NH1-OE1 2.77Å; R223-E227 IonicContact NH1-OE2 3.6Å; R223-V358 HydrophobicContact CB-CG1 4.14Å; R223-V358 HydrophobicContact CB-CG2 3.75Å
224Q90.7Very high82.7Confident134 Ų13477.3 Ų77.363%0.62640%0.403SS*.  trans-73.8147.1176.5-64.7-61.8-3000110.4D226 E227 V358Q224-D226 WeakPolarHBondContact CB-OD1 3.4Å; Q224-D226 PolarHBondContact O-N 2.82Å; Q224-E227 VanDerWaalsContact O-CB 3.24Å; Q224-E227 WeakPolarHBondContact O-CB 3.5Å; Q224-E227 PolarHBondContact O-N 3.04Å; Q224-E227 VanDerWaalsContact O-N 3.09Å; Q224-V358 WeakPolarHBondContact O-CB 3.43Å
225A91.9Very high80.6Confident62 Ų6279.2 Ų79.251%0.51241%0.411SS..THydrogen-bonded Turntrans-62.1-29.1-172.700000113.7S357 V358 G359A225-S357 VanDerWaalsContact O-CB 3.26Å; A225-S357 WeakPolarHBondContact O-CB 3.43Å; A225-S357 PolarHBondContact O-OG 2.68Å; A225-V358 PolarHBondContact O-N 3.02Å; A225-G359 PolarHBondContact O-N 3.45Å
226D92.8Very high78.1Confident127 Ų12779.9 Ų79.968%0.67943%0.425SS*.THydrogen-bonded Turntrans-85.6-11.5179.864.5-39.6000113.7Q224Q224-D226 WeakPolarHBondContact CB-OD1 3.4Å; Q224-D226 PolarHBondContact O-N 2.82Å
227E92Very high75.4Confident39 Ų3982.5 Ų82.518%0.18244%0.441CS..SBendtrans-63.2137.2179.5-170.1173.1173.900110.8R223 Q224 K231 S357 V358R223-E227 WeakPolarHBondContact CD-OE2 3.37Å; R223-E227 IonicContact CZ-OE1 3.27Å; R223-E227 IonicContact NH1-OE1 3.74Å; R223-E227 PolarHBondContact NH1-OE1 2.77Å; R223-E227 IonicContact NH1-OE2 3.6Å; Q224-E227 VanDerWaalsContact O-CB 3.24Å; Q224-E227 WeakPolarHBondContact O-CB 3.5Å; Q224-E227 PolarHBondContact O-N 3.04Å; Q224-E227 VanDerWaalsContact O-N 3.09Å; E227-K231 WeakPolarHBondContact OE1-CE 3.29Å; E227-K231 IonicContact OE1-NZ 2.65Å; E227-K231 PolarHBondContact OE1-NZ 2.94Å; E227-S357 CarbonylContact O-C 3.55Å; E227-S357 WeakPolarHBondContact O-CA 3.39Å; E227-V358 HydrophobicContact CB-CG2 4.07Å; E227-V358 WeakPolarHBondContact O-CG2 3.4Å; E227-V358 PolarHBondContact O-N 3.21Å
228K90.5Very high72.5Confident102 Ų10285.9 Ų85.944%0.44347%0.466SS..BIsolated β-bridgetrans-77.1133.7177.4-63.8-72.7167.1-170.50110.4L230 N355K228-L230 PolarHBondContact O-N 3.35Å; K228-N355 WeakPolarHBondContact CD-O 3.37Å; K228-N355 WeakPolarHBondContact CE-O 3.44Å; K228-N355 PolarHBondContact NZ-O 3.38Å
229L83Confident69.9Low20 Ų2092.7 Ų92.711%0.10550%0.501CS..SBendtrans-62.1-44.3-175.5-66.1167.2000112.8F174 I218 S356 V358 L361F174-L229 HydrophobicContact CE1-CB 4.46Å; F174-L229 HydrophobicContact CE1-CD1 3.89Å; F174-L229 HydrophobicContact CE2-CD1 4.23Å; F174-L229 HydrophobicContact CZ-CB 4.43Å; F174-L229 HydrophobicContact CZ-CD1 3.58Å; I218-L229 HydrophobicContact CD1-CD2 3.72Å; L229-S356 WeakPolarHBondContact CG-O 3.15Å; L229-S356 PolarHBondContact N-O 2.65Å; L229-S356 VanDerWaalsContact N-O 3.11Å; L229-V358 HydrophobicContact CD2-CG2 4Å; L229-L361 HydrophobicContact CD1-CB 3.88Å; L229-L361 HydrophobicContact CD1-CD2 4.13Å; L229-L361 HydrophobicContact CD2-CB 4.03Å; L229-L361 HydrophobicContact CD2-CD2 3.5Å; L229-L361 VanDerWaalsContact CD2-CD2 3.5Å; L229-L361 HydrophobicContact CD2-CG 4.41Å; L229-L361 HydrophobicContact CG-CD2 4.47Å
230L75.4Confident67.1Low41 Ų4196.5 Ų96.522%0.21552%0.521CS..  trans-119.690.8-178.2-60.7175.1000107.9V172 K228 D232 M233 L290 A354V172-L230 HydrophobicContact CG2-CD1 3.99Å; K228-L230 PolarHBondContact O-N 3.35Å; L230-D232 PolarHBondContact O-N 2.81Å; L230-D232 VanDerWaalsContact O-N 3.14Å; L230-M233 HydrophobicContact CD1-SD 4.15Å; L230-L290 HydrophobicContact CD2-CD1 4.38Å; L230-A354 HydrophobicContact CD1-CB 4.01Å
231K64.9Low64.5Low135 Ų13596.9 Ų96.959%0.58753%0.526SS*.THydrogen-bonded Turntrans-63.3-16.9-176.7-68.6-176.2-179.11760114E227E227-K231 WeakPolarHBondContact OE1-CE 3.29Å; E227-K231 IonicContact OE1-NZ 2.65Å; E227-K231 PolarHBondContact OE1-NZ 2.94Å
232D49.4Very low61.6Low158 Ų15898.2 Ų98.285%0.84554%0.537SS*.THydrogen-bonded Turntrans-116.516.3-165.5-58.1-31.4000114.9L230L230-D232 PolarHBondContact O-N 2.81Å; L230-D232 VanDerWaalsContact O-N 3.14Å
233M50.6Low58.9Low79 Ų79101.5 Ų101.539%0.38955%0.553SS.*  trans-107102.7173.4-67.3-162.676.800111.4L230 F235L230-M233 HydrophobicContact CD1-SD 4.15Å; M233-F235 HydrophobicContact CB-CD2 4.24Å; M233-F235 HydrophobicContact CB-CE1 4.48Å; M233-F235 HydrophobicContact CB-CE2 3.39Å; M233-F235 HydrophobicContact CB-CZ 3.49Å; M233-F235 VanDerWaalsContact CB-CZ 3.49Å; M233-F235 HydrophobicContact CE-CE1 4.32Å; M233-F235 HydrophobicContact CE-CZ 3.99Å; M233-F235 HydrophobicContact CG-CZ 4.29Å; M233-F235 WeakPolarHBondContact O-CD2 3.49Å; M233-F235 WeakPolarHBondContact O-CE2 3.28Å; M233-F235 PolarHBondContact O-N 3.5Å; M233-F235 VanDerWaalsContact O-N 3.13Å; M233-F235 HydrophobicContact SD-CZ 3.92Å
234D42Very low56.3Low159 Ų159105.7 Ų105.785%0.8558%0.576SS**  trans-69.3102.3170.4-80.2-32.4000110.4S236D234-S236 PolarHBondContact O-N 3.26Å
235F49.9Very low53.7Low45 Ų45104.2 Ų104.220%0.19758%0.58CS.*  trans-85.639.1173.6-68.3-71.8000112.9R170 M233 V237 A354 N355R170-F235 HydrophobicContact CB-CD1 4Å; R170-F235 HydrophobicContact CB-CE1 4.04Å; R170-F235 HydrophobicContact CG-CD1 3.82Å; R170-F235 HydrophobicContact CG-CE1 4.16Å; M233-F235 HydrophobicContact CB-CD2 4.24Å; M233-F235 HydrophobicContact CB-CE1 4.48Å; M233-F235 HydrophobicContact CB-CE2 3.39Å; M233-F235 HydrophobicContact CB-CZ 3.49Å; M233-F235 VanDerWaalsContact CB-CZ 3.49Å; M233-F235 HydrophobicContact CE-CE1 4.32Å; M233-F235 HydrophobicContact CE-CZ 3.99Å; M233-F235 HydrophobicContact CG-CZ 4.29Å; M233-F235 WeakPolarHBondContact O-CD2 3.49Å; M233-F235 WeakPolarHBondContact O-CE2 3.28Å; M233-F235 PolarHBondContact O-N 3.5Å; M233-F235 VanDerWaalsContact O-N 3.13Å; M233-F235 HydrophobicContact SD-CZ 3.92Å; F235-V237 PolarHBondContact O-N 3.46Å; F235-A354 HydrophobicContact CD2-CB 4.45Å; F235-A354 HydrophobicContact CE1-CB 3.98Å; F235-A354 HydrophobicContact CE2-CB 3.3Å; F235-A354 HydrophobicContact CZ-CB 3.03Å; F235-N355 HydrophobicContact CD2-CB 4.22Å
236S38.2Very low51.1Low104 Ų104110.7 Ų110.773%0.72760%0.597SS**  trans-60.8105.2178.559.20000109.9D234D234-S236 PolarHBondContact O-N 3.26Å
237V37.6Very low48.2Very low59 Ų59114.4 Ų114.436%0.35861%0.607SS.*  trans-55.9128.9171-178.80000107.6F235 L239F235-V237 PolarHBondContact O-N 3.46Å; V237-L239 VanDerWaalsContact C-N 3.35Å; V237-L239 PolarHBondContact O-N 3.26Å
238P30.7Very low45.6Very low104 Ų104120.2 Ų120.268%0.67564%0.639SS**  trans-63.2104.1161.6-12.727000106.4D240P238-D240 PolarHBondContact O-N 2.93Å
239L37.3Very low43Very low155 Ų155125 Ų12581%0.81266%0.66SS**  trans-60.1129159.2-100.989.8000106.2V237 G241V237-L239 VanDerWaalsContact C-N 3.35Å; V237-L239 PolarHBondContact O-N 3.26Å; L239-G241 PolarHBondContact O-N 3.28Å
240D33.4Very low40.9Very low169 Ų169133.3 Ų133.390%0.90470%0.695SS**  trans-50.9102.8166.6-81.2-46.3000108.9P238P238-D240 PolarHBondContact O-N 2.93Å
241G33.3Very low38.9Very low62 Ų62136.3 Ų136.364%0.63972%0.72SS**  trans-115.896.817500000108.5L239L239-G241 PolarHBondContact O-N 3.28Å
242D29.8Very low37.7Very low137 Ų137134.9 Ų134.973%0.73373%0.727SS**  trans35.287.1154-70.3-43.9000117.8Q244D242-Q244 PolarHBondContact O-N 3.22Å; D242-Q244 VanDerWaalsContact O-N 3.13Å
243I34.7Very low37.1Very low164 Ų164136.9 Ų136.984%0.84173%0.728SS**  trans-82.371.6145.4-54.2-179.9000107.8
244Q33.6Very low36.4Very low165 Ų165138.2 Ų138.277%0.77175%0.745SS**  trans-93.974.7151.3-70.9-168.536.800108.1D242D242-Q244 PolarHBondContact O-N 3.22Å; D242-Q244 VanDerWaalsContact O-N 3.13Å
245S37.7Very low36Very low103 Ų103139.1 Ų139.172%0.7274%0.741SS**  trans-92.9110.1161.868.40000109.2
246K36.4Very low35.1Very low197 Ų197147.6 Ų147.686%0.85777%0.772SS**  trans-40.3133.1177.8-74.9164.8171.4166.20112.9N248K246-N248 PolarHBondContact O-N 3.31Å
247K32.5Very low34.9Very low205 Ų205152.8 Ų152.889%0.89178%0.777SS**  trans-43.9119.5155.4-71.7175.8176.1171.60109.6
248N36.8Very low34.8Very low162 Ų162157.1 Ų157.187%0.86680%0.798SS**  trans-140.4120.8150.3-101.4-23.8000111.1K246K246-N248 PolarHBondContact O-N 3.31Å
249K36.5Very low34.8Very low201 Ų201159.2 Ų159.287%0.87480%0.803SS**  trans-59134.8173.7-108.4169.8174.21740111
250K37.6Very low34.5Very low195 Ų195157.8 Ų157.885%0.84880%0.803SS**  trans157.899.5138.1-89.8167.3179.9179.80108.5
251S34.3Very low34.3Very low104 Ų104157.3 Ų157.373%0.72780%0.8SS**  69.5116.493.573.70000115
252S38.8Very low34.4Very low106 Ų106162.1 Ų162.174%0.74181%0.811SS**  trans115.6107138.8-61.90000118.6
253K38.1Very low34.5Very low200 Ų200161.1 Ų161.187%0.8781%0.809SS**  65.7107.5129.7-74.4178.3173.4173.80120.7
254S34.8Very low34.3Very low106 Ų106161 Ų16174%0.74181%0.811SS**  68.3114.7116.7-157.50000119.6
255K34.4Very low34.2Very low178 Ų178161.7 Ų161.777%0.77481%0.813SS**  174.2139.6104.5-92.8176.7179.4179.80112
256R30.3Very low34Very low223 Ų223162.3 Ų162.384%0.84282%0.817SS**  trans-62.8150.3167.7-70.3174.2180149.5-1111.3
257Y33.6Very low33.6Very low214 Ų214160.9 Ų160.984%0.83982%0.818SS**  trans-154.9151.5133.6-77.6-66.4000111.2
258D35.3Very low33.6Very low149 Ų149157.5 Ų157.580%0.79782%0.815SS**  trans-80.9169-164.9-60-65000116.2
259L30.8Very low33.2Very low148 Ų148156 Ų15678%0.77581%0.811SS**  trans-43.6158.1170.1-101.3104.4000115.6
260P30.9Very low32.9Very low125 Ų125151.8 Ų151.881%0.81281%0.807SS**  -151.6164.182.534.1-11.8000118.3
261L29.2Very low32.5Very low159 Ų159147.9 Ų147.983%0.83281%0.811SS**  trans-63.2135.5167.5-69.3148.9000111.5
262D36Very low32.2Very low164 Ų164145.9 Ų145.988%0.87781%0.807SS**  trans-151148.8149.7-137.9-9.7000111
263V32Very low31.7Very low115 Ų115146.5 Ų146.570%0.69781%0.812SS**  trans-91.9141.3-170.1175.80000109.7
264D31.6Very low31.2Very low163 Ų163145.7 Ų145.787%0.87281%0.808SS**  trans-172.7142.6137.9-102.3-23.6000115.4
265H31.3Very low31.1Very low179 Ų179149.5 Ų149.583%0.82981%0.811SS**  trans-74.3139.2175.4-84.7-85.4000112.6
266S33.5Very low31.1Very low115 Ų115148.5 Ų148.580%0.80480%0.804SS**  trans-167.7131.4139.446.40000112.3
267L28.4Very low31Very low168 Ų168142.3 Ų142.388%0.8880%0.801SS**  trans-68.8127.4168.2-81.4105.4000110.2
268V32.2Very low31.2Very low134 Ų134136.3 Ų136.381%0.81279%0.786SS**  trans-139.4122.7148.9179.90000109
269T27.2Very low30.8Very low130 Ų130132.5 Ų132.580%0.79878%0.775SS**  trans-62.5126.7173.642.10000112.6
270S31.5Very low30.8Very low112 Ų112136 Ų13678%0.78378%0.784SS**  trans-152.5133.4150690000110G272S270-G272 PolarHBondContact O-N 2.82Å
271A28Very low30.9Very low113 Ų113133.6 Ų133.693%0.93478%0.782SS**  trans-21.7116.3176.400000115.2
272G28.5Very low31.1Very low63 Ų63128.8 Ų128.865%0.64976%0.762SS**  trans-174138.1-178.800000111.7S270 K274S270-G272 PolarHBondContact O-N 2.82Å; G272-K274 PolarHBondContact O-N 3.48Å; G272-K274 VanDerWaalsContact O-N 3.15Å
273S28.6Very low31.6Very low119 Ų119124.2 Ų124.283%0.83274%0.74SS**  trans-34.4113.6175.3-47.60000111.9K275S273-K275 PolarHBondContact O-N 3.24Å
274K26.4Very low32.1Very low183 Ų183121.5 Ų121.580%0.79673%0.726SS**  trans-68.783.4174-75.6-178.3178.5176.20109.1G272 Y276G272-K274 PolarHBondContact O-N 3.48Å; G272-K274 VanDerWaalsContact O-N 3.15Å; K274-Y276 PolarHBondContact O-N 3.15Å
275K33.6Very low33.1Very low186 Ų186114.2 Ų114.281%0.80969%0.687SS**  trans-68.4118.2158.5-82.2-175.3174.2-178.50106.9S273 A277S273-K275 PolarHBondContact O-N 3.24Å; K275-A277 VanDerWaalsContact C-N 3.25Å; K275-A277 PolarHBondContact O-N 2.92Å
276Y34.5Very low34.8Very low156 Ų156108.2 Ų108.261%0.61267%0.669SS**  trans-66.289.9167-65.6-85.7000108K274 V278K274-Y276 PolarHBondContact O-N 3.15Å; Y276-V278 PolarHBondContact O-N 3.4Å; Y276-V278 VanDerWaalsContact O-N 3.14Å
277A28.4Very low37.2Very low94 Ų94103.8 Ų103.878%0.77764%0.635SS**  trans-70.8103.6165.300000106.9K275 A279K275-A277 VanDerWaalsContact C-N 3.25Å; K275-A277 PolarHBondContact O-N 2.92Å; A277-A279 PolarHBondContact O-N 3.25Å; A277-A279 VanDerWaalsContact O-N 3.09Å
278V37.6Very low40Very low87 Ų8796.6 Ų96.653%0.52760%0.598SS.*  trans-60113.1165177.50000106.3Y276 K280 A286Y276-V278 PolarHBondContact O-N 3.4Å; Y276-V278 VanDerWaalsContact O-N 3.14Å; V278-K280 PolarHBondContact O-N 2.85Å; V278-A286 HydrophobicContact CG2-CB 4.23Å
279A26.7Very low42.6Very low69 Ų6994.8 Ų94.857%0.5759%0.589SS**  trans-56.2123.1170.300000107.8A277 G281 S282A277-A279 PolarHBondContact O-N 3.25Å; A277-A279 VanDerWaalsContact O-N 3.09Å; A279-G281 PolarHBondContact O-N 2.93Å; A279-S282 PolarHBondContact O-N 3.2Å; A279-S282 VanDerWaalsContact O-N 3.08Å
280K30.1Very low45.5Very low221 Ų22190.1 Ų90.196%0.96156%0.559SS**THydrogen-bonded Turntrans-51.6107.7168.7-77.2-174.6173.5-175.80107.3V278V278-K280 PolarHBondContact O-N 2.85Å
281G33.8Very low48.3Very low75 Ų7589.2 Ų89.277%0.77355%0.546SS*.THydrogen-bonded Turntrans119.5-8.2-179.300000116.8A279 V283A279-G281 PolarHBondContact O-N 2.93Å; G281-V283 PolarHBondContact O-N 3.06Å
282S32.9Very low51.4Low58 Ų5884.1 Ų84.141%0.40650%0.503SS..  trans-80.1118.9177177.30000112.7A279 S284 R405A279-S282 PolarHBondContact O-N 3.2Å; A279-S282 VanDerWaalsContact O-N 3.08Å; S282-S284 VanDerWaalsContact C-N 3.29Å; S282-S284 PolarHBondContact O-N 2.92Å; S282-R405 VanDerWaalsContact O-CZ 3.23Å; S282-R405 PolarHBondContact O-NH1 3.43Å; S282-R405 PolarHBondContact O-NH2 3.3Å
283V46.4Very low54.5Low68 Ų6883.4 Ų83.441%0.41249%0.486SS..SBendtrans-44.3-33.4171.4-154.50000117.7G281 R405 S475G281-V283 PolarHBondContact O-N 3.06Å; V283-R405 VanDerWaalsContact CB-NH2 3.26Å; V283-R405 VanDerWaalsContact CG1-NH2 3.35Å; V283-R405 VanDerWaalsContact CG2-NH2 3.34Å; V283-R405 PolarHBondContact O-NE 2.82Å; V283-R405 VanDerWaalsContact O-NE 3.07Å; V283-R405 PolarHBondContact O-NH1 3.36Å; V283-R405 VanDerWaalsContact O-NH1 3.15Å; V283-R405 PolarHBondContact O-NH2 2.96Å; V283-S475 WeakPolarHBondContact CG1-O 3.45Å
284S42.8Very low57.5Low58 Ų5878.2 Ų78.241%0.40645%0.448SS..SBendtrans-96.8128.4-168.5-159.80000109.7S282 A286 R405S282-S284 VanDerWaalsContact C-N 3.29Å; S282-S284 PolarHBondContact O-N 2.92Å; S284-A286 PolarHBondContact O-N 3.3Å; S284-R405 PolarHBondContact O-NH1 2.95Å
285P52.4Low60.5Low10 Ų1072.7 Ų72.77%0.06543%0.425CS..  trans-54.2143.2165.12.85.4000107F287 L403P285-F287 HydrophobicContact CB-CD2 4.31Å; P285-F287 HydrophobicContact CB-CE2 4.28Å; P285-F287 HydrophobicContact CG-CD2 3.98Å; P285-F287 HydrophobicContact CG-CE2 3.54Å; P285-F287 HydrophobicContact CG-CZ 3.96Å; P285-F287 PolarHBondContact O-N 2.87Å; P285-L403 HydrophobicContact CG-CD1 4.45Å; P285-L403 HydrophobicContact CG-CD2 3.34Å; P285-L403 HydrophobicContact CG-CG 4.24Å
286A66.9Low62.9Low54 Ų5464.7 Ų64.745%0.44639%0.394SS..  trans-71.267.2171.100000108.3V278 S284 T288V278-A286 HydrophobicContact CG2-CB 4.23Å; S284-A286 PolarHBondContact O-N 3.3Å; A286-T288 PolarHBondContact O-N 3.43Å
287F84.9Confident64.7Low22 Ų2262.1 Ų62.110%0.09640%0.397CS..BIsolated β-bridgetrans-50.7134.5161.2-72.6-69.1000106.4S173 K175 P285 I349 L403 L481S173-F287 WeakPolarHBondContact O-CA 3.33Å; K175-F287 HydrophobicContact CB-CD1 3.76Å; K175-F287 HydrophobicContact CB-CE1 3.75Å; K175-F287 HydrophobicContact CB-CG 4.29Å; K175-F287 HydrophobicContact CB-CZ 4.25Å; K175-F287 HydrophobicContact CD-CB 4.28Å; K175-F287 HydrophobicContact CD-CD1 4.19Å; K175-F287 HydrophobicContact CD-CD2 3.82Å; K175-F287 HydrophobicContact CD-CE1 4.48Å; K175-F287 HydrophobicContact CD-CE2 4.1Å; K175-F287 HydrophobicContact CD-CG 3.85Å; K175-F287 HydrophobicContact CD-CZ 4.43Å; K175-F287 HydrophobicContact CG-CB 4.32Å; K175-F287 HydrophobicContact CG-CD1 3.97Å; K175-F287 HydrophobicContact CG-CD2 4.48Å; K175-F287 HydrophobicContact CG-CE1 4.39Å; K175-F287 HydrophobicContact CG-CG 4.03Å; P285-F287 HydrophobicContact CB-CD2 4.31Å; P285-F287 HydrophobicContact CB-CE2 4.28Å; P285-F287 HydrophobicContact CG-CD2 3.98Å; P285-F287 HydrophobicContact CG-CE2 3.54Å; P285-F287 HydrophobicContact CG-CZ 3.96Å; P285-F287 PolarHBondContact O-N 2.87Å; F287-I349 HydrophobicContact CE1-CG2 4.16Å; F287-L403 HydrophobicContact CE2-CD2 3.93Å; F287-L403 HydrophobicContact CZ-CD1 4.31Å; F287-L403 HydrophobicContact CZ-CD2 4.11Å; F287-L481 HydrophobicContact CE2-CD2 4.24Å; F287-L481 HydrophobicContact CZ-CD2 4.27Å
288T86.5Confident66.6Low16 Ų1662.3 Ų62.310%0.09838%0.382CS..  trans-54.4139.7175.1-176.60000109.6V172 S173 F174 A286 L290V172-T288 HydrophobicContact CG1-CG2 4.25Å; S173-T288 WeakPolarHBondContact O-CG2 3.25Å; S173-T288 PolarHBondContact O-N 3.47Å; F174-T288 HydrophobicContact CB-CG2 4.36Å; F174-T288 HydrophobicContact CD1-CG2 3.22Å; F174-T288 HydrophobicContact CE1-CG2 3.51Å; F174-T288 HydrophobicContact CG-CG2 3.85Å; F174-T288 HydrophobicContact CZ-CG2 4.34Å; A286-T288 PolarHBondContact O-N 3.43Å; T288-L290 HydrophobicContact CG2-CB 4.06Å; T288-L290 HydrophobicContact CG2-CD1 4.03Å; T288-L290 HydrophobicContact CG2-CG 4.05Å; T288-L290 PolarHBondContact O-N 3.29Å; T288-L290 WeakPolarHBondContact OG1-CG 3.34Å
289P86.1Confident67.9Low96 Ų9659.3 Ų59.362%0.62336%0.362SS*.SBendtrans-77.845.7178.935.1-37.6000110.9
290L88.3Confident68.6Low33 Ų3361.8 Ų61.817%0.17337%0.372CS..  trans-102.5132.9174.6-63.2178.4000108.4F174 I218 N219 L230 T288 I292F174-L290 HydrophobicContact CE1-CD1 4.04Å; I218-L290 HydrophobicContact CG2-CB 4.36Å; I218-L290 HydrophobicContact CG2-CD1 4.24Å; I218-L290 HydrophobicContact CG2-CD2 4.27Å; N219-L290 WeakPolarHBondContact ND2-CD2 3.32Å; L230-L290 HydrophobicContact CD2-CD1 4.38Å; T288-L290 HydrophobicContact CG2-CB 4.06Å; T288-L290 HydrophobicContact CG2-CD1 4.03Å; T288-L290 HydrophobicContact CG2-CG 4.05Å; T288-L290 PolarHBondContact O-N 3.29Å; T288-L290 WeakPolarHBondContact OG1-CG 3.34Å; L290-I292 HydrophobicContact CB-CD1 4.19Å; L290-I292 HydrophobicContact CB-CG1 4.03Å
291D90.5Very high69.4Low93 Ų9355.5 Ų55.550%0.49735%0.346SS..  trans-81.5116.1168.5-179.929.1000108.9I218 N219I218-D291 CarbonylContact C-O 3.55Å; I218-D291 WeakPolarHBondContact CA-O 3.42Å; N219-D291 PolarHBondContact N-O 2.8Å; N219-D291 PolarHBondContact OD1-N 3Å
292I93.4Very high69.3Low5 Ų561.7 Ų61.73%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-122.6113.5-171.2-60162.7000108.3F174 T176 L216 L217 L290 L361 L365F174-I292 HydrophobicContact CB-CD1 3.84Å; F174-I292 HydrophobicContact CD1-CD1 3.65Å; F174-I292 HydrophobicContact CG-CD1 4.23Å; T176-I292 WeakPolarHBondContact CB-O 3.23Å; T176-I292 PolarHBondContact OG1-O 3.44Å; L216-I292 HydrophobicContact CD1-CG2 3.43Å; L216-I292 VanDerWaalsContact CD1-CG2 3.43Å; L216-I292 HydrophobicContact CD2-CG2 4.29Å; L216-I292 HydrophobicContact CG-CG2 4.05Å; L217-I292 WeakPolarHBondContact O-CA 3.08Å; L290-I292 HydrophobicContact CB-CD1 4.19Å; L290-I292 HydrophobicContact CB-CG1 4.03Å; I292-L361 HydrophobicContact CD1-CD2 4.18Å; I292-L365 HydrophobicContact CG2-CD1 3.87Å
293V93.3Very high69.3Low48 Ų4865.9 Ų65.929%0.29136%0.36SS..EExtended strand (participates in β ladder)trans-119.5122.1-177.2179.90000109.2L217L217-V293 HydrophobicContact CB-CB 4.3Å; L217-V293 PolarHBondContact N-O 2.86Å; L217-V293 PolarHBondContact O-N 3.38Å
294I92.5Very high68.4Low10 Ų1071.9 Ų71.95%0.05138%0.375CS..EExtended strand (participates in β ladder)trans-87.3127.2168.1-64.7179.3000107.6T176 I178 L210 T214 Q215 L216 L365 L369T176-I294 HydrophobicContact CG2-CD1 3.76Å; T176-I294 HydrophobicContact CG2-CG1 4.22Å; I178-I294 HydrophobicContact CG2-CB 4.21Å; I178-I294 HydrophobicContact CG2-CG2 4.39Å; L210-I294 HydrophobicContact CD1-CG2 4.38Å; T214-I294 HydrophobicContact CG2-CG2 3.77Å; Q215-I294 WeakPolarHBondContact O-CA 3.48Å; L216-I294 HydrophobicContact CD1-CG1 3.74Å; I294-L365 HydrophobicContact CD1-CB 4Å; I294-L365 HydrophobicContact CD1-CD1 4.43Å; I294-L369 HydrophobicContact CD1-CD1 3.47Å; I294-L369 VanDerWaalsContact CD1-CD1 3.47Å
295F89Confident67.8Low68 Ų6873.1 Ų73.130%0.29839%0.388SS..EExtended strand (participates in β ladder)trans-133.1156.917874.1-77.9000110.8T214 Q215 L217 L222T214-F295 CarbonylContact C-O 3.51Å; T214-F295 WeakPolarHBondContact CA-O 3.22Å; T214-F295 WeakPolarHBondContact CB-O 3.32Å; Q215-F295 HydrophobicContact CB-CD1 4.13Å; Q215-F295 HydrophobicContact CB-CE1 3.42Å; Q215-F295 VanDerWaalsContact CB-CE1 3.42Å; Q215-F295 HydrophobicContact CB-CE2 4.25Å; Q215-F295 HydrophobicContact CB-CZ 3.51Å; Q215-F295 HydrophobicContact CG-CZ 4.41Å; Q215-F295 PolarHBondContact N-O 3.24Å; Q215-F295 WeakPolarHBondContact O-CD1 3.27Å; Q215-F295 PolarHBondContact O-N 3.41Å; Q215-F295 VanDerWaalsContact O-N 3.09Å; L217-F295 HydrophobicContact CD1-CD1 4.06Å; L217-F295 HydrophobicContact CD1-CE1 4.25Å; L217-F295 HydrophobicContact CD2-CD1 4.31Å; L217-F295 HydrophobicContact CD2-CE1 3.69Å; L217-F295 HydrophobicContact CD2-CZ 4.24Å; L217-F295 HydrophobicContact CG-CD1 3.65Å; L217-F295 HydrophobicContact CG-CE1 3.53Å; L217-F295 HydrophobicContact CG-CZ 4.45Å; L222-F295 HydrophobicContact CD1-CE1 4.17Å; L222-F295 HydrophobicContact CD1-CZ 4.14Å
296G83.2Confident66.7Low17 Ų1777.8 Ų77.818%0.17542%0.421CS..BIsolated β-bridgetrans-175.4171.8-179.100000110.8Q298 F299G296-Q298 PolarHBondContact O-N 3.27Å; G296-F299 PolarHBondContact O-N 3.36Å
297P73.6Confident65Low103 Ų10379.7 Ų79.767%0.66943%0.432SS*.THydrogen-bonded Turntrans-61.1-29.2-174.224.8-34.3000113.6E213E213-P297 HydrophobicContact CB-CG 3.97Å; E213-P297 HydrophobicContact CG-CG 4.42Å; E213-P297 WeakPolarHBondContact OE2-CG 3.41Å
298Q68.4Low62.4Low97 Ų9784 Ų8445%0.45346%0.464SS..THydrogen-bonded Turntrans-92.43.5174.8-59.9-162.922.600114.3G296 P300G296-Q298 PolarHBondContact O-N 3.27Å; Q298-P300 WeakPolarHBondContact O-CD 3.37Å
299F64.9Low59.8Low25 Ų2588.1 Ų88.111%0.1149%0.494CS..BIsolated β-bridgetrans-117.868.3-174.5-59.7-97.8000111I178 Y206 L210 T214 G296 Q301I178-F299 HydrophobicContact CB-CD1 4.41Å; I178-F299 HydrophobicContact CB-CE1 4.36Å; I178-F299 HydrophobicContact CD1-CE1 4.34Å; I178-F299 HydrophobicContact CG2-CD1 4.45Å; I178-F299 HydrophobicContact CG2-CE1 4.4Å; Y206-F299 HydrophobicContact CD2-CZ 4.44Å; Y206-F299 HydrophobicContact CE1-CE1 4.13Å; Y206-F299 HydrophobicContact CE1-CZ 4.3Å; Y206-F299 HydrophobicContact CE2-CD1 4.3Å; Y206-F299 AromaticContact CE2-CE1 3.63Å; Y206-F299 HydrophobicContact CE2-CE1 3.63Å; Y206-F299 AromaticContact CE2-CZ 3.91Å; Y206-F299 HydrophobicContact CE2-CZ 3.91Å; Y206-F299 AromaticContact CZ-CE1 3.38Å; Y206-F299 AromaticContact CZ-CZ 3.86Å; Y206-F299 WeakPolarHBondContact OH-CE1 3.24Å; L210-F299 HydrophobicContact CB-CZ 3.94Å; L210-F299 HydrophobicContact CD1-CE1 4.21Å; L210-F299 HydrophobicContact CD1-CZ 3.95Å; T214-F299 HydrophobicContact CG2-CD2 3.84Å; T214-F299 HydrophobicContact CG2-CE2 3.5Å; T214-F299 HydrophobicContact CG2-CZ 4.02Å; G296-F299 PolarHBondContact O-N 3.36Å; F299-Q301 VanDerWaalsContact C-N 3.31Å; F299-Q301 PolarHBondContact O-N 3.21Å
300P41.5Very low57.3Low120 Ų12088.3 Ų88.378%0.77950%0.498SS*.  trans-77.283.1177.132.1-32.8000110Q298Q298-P300 WeakPolarHBondContact O-CD 3.37Å
301Q45.6Very low54.7Low90 Ų9094.3 Ų94.342%0.42153%0.529SS..  trans-121.272.1156-77.6-161.6-5300109.1L179 F299L179-Q301 HydrophobicContact CD1-CG 3.81Å; L179-Q301 VanDerWaalsContact CG-CD 3.44Å; L179-Q301 HydrophobicContact CG-CG 4.19Å; L179-Q301 VanDerWaalsContact CG-NE2 3.34Å; F299-Q301 VanDerWaalsContact C-N 3.31Å; F299-Q301 PolarHBondContact O-N 3.21Å
302W31.4Very low52.2Low204 Ų20499.1 Ų99.177%0.77355%0.548SS*.  trans-105.878.3156.5-135.973.7000107.4R304W302-R304 HydrophobicContact CE3-CB 4.08Å; W302-R304 HydrophobicContact CE3-CG 4.31Å; W302-R304 HydrophobicContact CZ3-CB 4Å; W302-R304 HydrophobicContact CZ3-CG 3.71Å; W302-R304 PolarHBondContact O-N 3.26Å
303Q32.9Very low49.6Very low147 Ų147104.9 Ų104.969%0.68759%0.589SS**  trans-69.1109154.2-95.5177-54.800105.5A305Q303-A305 PolarHBondContact O-N 3.24Å
304R27.8Very low47Very low193 Ų193106.3 Ų106.373%0.72861%0.613SS**  trans-59.788.3173.8-168.1-178.7-54.6-136.25.8107.6W302 S306W302-R304 HydrophobicContact CE3-CB 4.08Å; W302-R304 HydrophobicContact CE3-CG 4.31Å; W302-R304 HydrophobicContact CZ3-CB 4Å; W302-R304 HydrophobicContact CZ3-CG 3.71Å; W302-R304 PolarHBondContact O-N 3.26Å; R304-S306 PolarHBondContact O-N 2.61Å
305A30.5Very low44.5Very low84 Ų84112.3 Ų112.369%0.69465%0.651SS**  trans-58.1122.117300000107.3Q303Q303-A305 PolarHBondContact O-N 3.24Å
306S29.2Very low42.2Very low108 Ų108114.8 Ų114.876%0.75568%0.676SS**SBendtrans55.692.5169.8490000116.2R304R304-S306 PolarHBondContact O-N 2.61Å
307S31.7Very low40.4Very low95 Ų95119 Ų11966%0.66470%0.703SS**  163.3112.1129.1-71.80000111.2
308S29.1Very low39.1Very low111 Ų111122 Ų12278%0.77671%0.714SS**  trans50.2129.8132.5-47.70000121.7
309S32.7Very low37.9Very low104 Ų104123.6 Ų123.673%0.72773%0.73SS**  trans76104141.464.60000120.3
310S34Very low36.9Very low100 Ų100130.4 Ų130.470%0.69977%0.768SS**  61.3139.1117.470.30000122
311L33.4Very low36.9Very low158 Ų158133.4 Ų133.483%0.82777%0.773SS**  trans92.7104.2158.3-55.2166.6000115.7
312E38.3Very low37Very low195 Ų195136.9 Ų136.991%0.91180%0.795SS**  -179.1107.9106.4-101.7172.615400110.6
313S38.3Very low37.5Very low125 Ų125134.8 Ų134.887%0.87480%0.799SS**  trans-78.1119160.738.90000108.9
314G38.5Very low37.8Very low78 Ų78131.2 Ų131.280%0.80480%0.801SS**  trans-12396175.500000111
315T39.6Very low38.4Very low136 Ų136129.4 Ų129.483%0.83481%0.806SS**  trans-73.6131164.6510000109.7
316S42.5Very low39.1Very low120 Ų120132 Ų13284%0.83981%0.809SS**  trans-122109.7161.759.90000109.5
317S45.1Very low39.7Very low106 Ų106132.4 Ų132.474%0.74181%0.806SS**  trans-84.4130.7169.7-44.90000108.8
318D45.3Very low40Very low167 Ų167134.9 Ų134.989%0.89381%0.812SS**  trans-125.1116.8156.4-88.9-31.8000109.3
319T44.2Very low40.5Very low129 Ų129137 Ų13779%0.79182%0.815SS**  trans-79.6132.817647.50000110.6
320N42.5Very low41Very low169 Ų169137.7 Ų137.790%0.90482%0.82SS**  trans-149.9119.4144.5-134.67000111
321M42.8Very low41Very low182 Ų182139.1 Ų139.190%0.89783%0.83SS**  trans-83.5131.3174.7-77.1-129.5150.300110.2
322N47.1Very low41.2Very low164 Ų164134 Ų13488%0.87782%0.815SS**  trans-154.4129.2136.2-151.412.3000111.2
323N41.1Very low41.2Very low160 Ų160130.5 Ų130.586%0.85681%0.812SS**  trans-71.3136.8173.9-89.9-19.7000110.6
324G40.7Very low41.4Very low71 Ų71133 Ų13373%0.73281%0.808SS**  trans-176.9100.1166.700000109.9D326G324-D326 PolarHBondContact O-N 2.89Å
325N40Very low41.9Very low156 Ų156134 Ų13483%0.83480%0.798SS**  trans-44.8132.2161.2-93.7-2.9000109.3
326D45.2Very low42.4Very low139 Ų139131 Ų13174%0.74378%0.781SS**  -179.6121.3120.5-84.6-22.3000110.4G324G324-D326 PolarHBondContact O-N 2.89Å
327T41.9Very low43.2Very low115 Ų115132.4 Ų132.471%0.70678%0.777SS**  trans42.2125.113960.50000120.6
328N38.1Very low44.7Very low147 Ų147130.2 Ų130.279%0.78676%0.757SS**  trans56.4103.4145.8-64.9-9.5000116.8
329D39.9Very low46.4Very low155 Ų155127.2 Ų127.283%0.82973%0.733SS**  -161131.5112.7-96.3-23.6000112.4S331D329-S331 PolarHBondContact O-N 3.42Å
330S42.4Very low48.3Very low120 Ų120121.5 Ų121.584%0.83970%0.698SS**  trans-59.2116.2-176.4-42.90000110.6G332S330-G332 PolarHBondContact O-N 3.29Å
331S33.4Very low50.3Low129 Ų129114.9 Ų114.990%0.90266%0.662SS**  trans-6697.5172.9-39.90000110.3D329D329-S331 PolarHBondContact O-N 3.42Å
332G38Very low52.3Low50 Ų50106.2 Ų106.252%0.51562%0.62SS.*  trans-116.295.8164.200000108.8S330 F334S330-G332 PolarHBondContact O-N 3.29Å; G332-F334 VanDerWaalsContact C-N 3.28Å; G332-F334 PolarHBondContact O-N 3.18Å
333S38.7Very low54Low122 Ų122101.7 Ų101.785%0.85360%0.595SS**  trans-65.991.5169.6-173.80000108.1V335S333-V335 PolarHBondContact O-N 3.1Å; S333-V335 VanDerWaalsContact O-N 3.15Å
334F43.5Very low55.9Low179 Ų17995.5 Ų95.579%0.78557%0.569SS**  trans-68.5105.6172.9-91.7-94.3000108.4G332 P336G332-F334 VanDerWaalsContact C-N 3.28Å; G332-F334 PolarHBondContact O-N 3.18Å; F334-P336 WeakPolarHBondContact O-CD 3.49Å
335V47.5Very low58.2Low99 Ų9994.7 Ų94.760%0.654%0.544SS*.  trans-63.5122.7160.7179.80000106.4S333 I337S333-V335 PolarHBondContact O-N 3.1Å; S333-V335 VanDerWaalsContact O-N 3.15Å; V335-I337 PolarHBondContact O-N 3.36Å; V335-I337 VanDerWaalsContact O-N 3.14Å
336P50.5Low60.8Low73 Ų7387.3 Ų87.347%0.47451%0.505SS..  trans-60.9123.3-178.620.5-29.1000109.4F334 N338 R339F334-P336 WeakPolarHBondContact O-CD 3.49Å; P336-N338 PolarHBondContact O-N 2.89Å; P336-R339 HydrophobicContact CG-CB 4.35Å; P336-R339 PolarHBondContact O-N 3.22Å; P336-R339 VanDerWaalsContact O-N 3.08Å
337I59.9Low63.1Low149 Ų14980.9 Ų80.976%0.76447%0.47SS*.THydrogen-bonded Turntrans-55.7-9.6-170.5-64.2167.2000113.7V335V335-I337 PolarHBondContact O-N 3.36Å; V335-I337 VanDerWaalsContact O-N 3.14Å
338N75.4Confident65.7Low59 Ų5975.4 Ų75.432%0.31644%0.437SS..THydrogen-bonded Turntrans-120.812.3-175.2-65.8-8000114.2H185 L186 S188 P336 L340H185-N338 CarbonylContact C-O 3.48Å; H185-N338 WeakPolarHBondContact CA-O 3.26Å; L186-N338 PolarHBondContact N-O 3.4Å; L186-N338 WeakPolarHBondContact O-CB 3.42Å; L186-N338 PolarHBondContact O-ND2 3.39Å; S188-N338 PolarHBondContact OG-ND2 2.85Å; P336-N338 PolarHBondContact O-N 2.89Å; N338-L340 PolarHBondContact O-N 3.17Å
339R81.5Confident68.5Low104 Ų10468.4 Ų68.439%0.39240%0.399SS..EExtended strand (participates in β ladder)trans-70.5127.8178.3-169.3-177.9-174.3-162.70.6110.6E183 P336E183-R339 VanDerWaalsContact CD-NE 3.26Å; E183-R339 HydrophobicContact CG-CG 4.43Å; E183-R339 IonicContact OE1-CZ 3.64Å; E183-R339 IonicContact OE1-NE 3.49Å; E183-R339 PolarHBondContact OE1-NE 3.15Å; E183-R339 IonicContact OE1-NH2 2.96Å; E183-R339 PolarHBondContact OE1-NH2 3.14Å; E183-R339 IonicContact OE2-CZ 3.24Å; E183-R339 IonicContact OE2-NE 3.6Å; E183-R339 IonicContact OE2-NH2 2.65Å; E183-R339 PolarHBondContact OE2-NH2 3.5Å; P336-R339 HydrophobicContact CG-CB 4.35Å; P336-R339 PolarHBondContact O-N 3.22Å; P336-R339 VanDerWaalsContact O-N 3.08Å
340L83.8Confident71.2Confident9 Ų961 Ų615%0.04736%0.36CS..EExtended strand (participates in β ladder)trans-117.6121.4177.1177.962.6000109.2T184 L199 N338 I342 L384 M396T184-L340 HydrophobicContact CG2-CB 4.09Å; T184-L340 HydrophobicContact CG2-CD2 4.1Å; T184-L340 HydrophobicContact CG2-CG 4.33Å; T184-L340 PolarHBondContact N-O 3.44Å; T184-L340 PolarHBondContact O-N 3.34Å; L199-L340 HydrophobicContact CD2-CD2 3.96Å; N338-L340 PolarHBondContact O-N 3.17Å; L340-I342 HydrophobicContact CD1-CG1 4.45Å; L340-I342 HydrophobicContact CD2-CD1 4.02Å; L340-I342 HydrophobicContact CD2-CG1 4.39Å; L340-I342 HydrophobicContact CG-CD1 4.27Å; L340-I342 HydrophobicContact CG-CG1 4.13Å; L340-L384 HydrophobicContact CD2-CD1 4.06Å; L340-M396 HydrophobicContact CD1-CB 3.97Å; L340-M396 HydrophobicContact CD1-CG 3.62Å; L340-M396 HydrophobicContact CD1-SD 3.99Å
341L85.2Confident73.8Confident31 Ų3155.4 Ų55.416%0.16232%0.32CS..EExtended strand (participates in β ladder)trans-108.8126.4173.3-174.769.9000109.5L182 E183 N343 P394 R395 M396L182-L341 WeakPolarHBondContact O-CA 3.23Å; E183-L341 HydrophobicContact CB-CD1 4.31Å; L341-N343 WeakPolarHBondContact CD1-OD1 3.43Å; L341-P394 WeakPolarHBondContact CB-O 3.4Å; L341-P394 PolarHBondContact N-O 2.98Å; L341-R395 HydrophobicContact CB-CG 4.31Å; L341-R395 HydrophobicContact CD2-CG 4.23Å; L341-R395 WeakPolarHBondContact O-CA 3.22Å; L341-M396 PolarHBondContact O-N 3.1Å
342I84.5Confident76.7Confident0 Ų049.8 Ų49.80%028%0.28CS..EExtended strand (participates in β ladder)trans-120.2106.8177.9-63.9165.3000107.5L180 L182 L199 L340 L377 L380 L398L180-I342 HydrophobicContact CD2-CG2 4.47Å; L182-I342 HydrophobicContact CB-CB 4.18Å; L182-I342 HydrophobicContact CD2-CD1 4.17Å; L182-I342 PolarHBondContact N-O 3Å; L182-I342 PolarHBondContact O-N 3.36Å; L199-I342 HydrophobicContact CD2-CD1 3.65Å; L340-I342 HydrophobicContact CD1-CG1 4.45Å; L340-I342 HydrophobicContact CD2-CD1 4.02Å; L340-I342 HydrophobicContact CD2-CG1 4.39Å; L340-I342 HydrophobicContact CG-CD1 4.27Å; L340-I342 HydrophobicContact CG-CG1 4.13Å; I342-L377 HydrophobicContact CD1-CD2 4.08Å; I342-L380 HydrophobicContact CD1-CD2 3.67Å; I342-L380 HydrophobicContact CG1-CD2 4.25Å; I342-L398 HydrophobicContact CG2-CD1 3.7Å; I342-L398 HydrophobicContact CG2-CD2 3.91Å; I342-L398 HydrophobicContact CG2-CG 3.56Å
343N82.3Confident79.4Confident69 Ų6947.7 Ų47.737%0.36926%0.257SS..EExtended strand (participates in β ladder)trans-122.6140.9178.8-68.4-5000109.8L180 S181 L341L180-N343 CarbonylContact O-C 3.59Å; L180-N343 VanDerWaalsContact O-CA 3.29Å; L180-N343 WeakPolarHBondContact O-CA 3.35Å; S181-N343 WeakPolarHBondContact CA-OD1 3.44Å; S181-N343 PolarHBondContact OG-OD1 3.47Å; L341-N343 WeakPolarHBondContact CD1-OD1 3.43Å
344G82.4Confident81.9Confident30 Ų3041.9 Ų41.931%0.30922%0.217SC..EExtended strand (participates in β ladder)trans174.7165.2174.600000114.5L180L180-G344 PolarHBondContact N-O 3.13Å; L180-G344 PolarHBondContact O-N 3.02Å
345R88.8Confident84.1Confident53 Ų5336.2 Ų36.220%0.220%0.195CC..EExtended strand (participates in β ladder)trans-83.3124.6172.3-174-178.8-172.9-176.45.2109.3H177 I178 L179 P347 K483H177-R345 HydrophobicContact CB-CG 3.91Å; H177-R345 PolarHBondContact CD2-NE 3.34Å; H177-R345 PolarHBondContact CE1-NH2 2.99Å; H177-R345 VanDerWaalsContact CE1-NH2 3.25Å; H177-R345 VanDerWaalsContact CG-NH2 3.3Å; H177-R345 PolarHBondContact ND1-NH2 2.88Å; H177-R345 VanDerWaalsContact ND1-NH2 3.13Å; H177-R345 PolarHBondContact NE2-NH2 3.07Å; I178-R345 WeakPolarHBondContact O-CA 2.92Å; L179-R345 HydrophobicContact CD2-CB 4.15Å; R345-P347 WeakPolarHBondContact O-CD 3.36Å; R345-K483 PolarHBondContact NH1-O 3.08Å
346I93.2Very high86.3Confident1 Ų131.9 Ų31.91%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-107.5105.1177.5-50.3-58.9000109H177 I178 L180 L369 I373 L398H177-I346 WeakPolarHBondContact CA-O 3.49Å; I178-I346 HydrophobicContact CG1-CB 3.89Å; I178-I346 PolarHBondContact N-O 3.14Å; I178-I346 PolarHBondContact O-N 2.71Å; L180-I346 HydrophobicContact CB-CD1 4.41Å; L180-I346 HydrophobicContact CB-CG1 3.83Å; I346-L369 HydrophobicContact CB-CD2 4.45Å; I346-L369 HydrophobicContact CG2-CD2 3.9Å; I346-I373 HydrophobicContact CG1-CG1 4.32Å; I346-I373 HydrophobicContact CG2-CG1 4.06Å; I346-L398 HydrophobicContact CD1-CD1 3.8Å
347P94.6Very high88.4Confident4 Ų429.1 Ų29.13%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-68.8131.8173.725.4-34.8000110.8T176 R345 R401 L481 E482T176-P347 WeakPolarHBondContact O-CA 3.45Å; R345-P347 WeakPolarHBondContact O-CD 3.36Å; P347-R401 HydrophobicContact CG-CB 4.13Å; P347-R401 PolarHBondContact O-NH1 3.31Å; P347-L481 HydrophobicContact CB-CB 4.18Å; P347-L481 HydrophobicContact CG-CB 4.17Å; P347-E482 VanDerWaalsContact CD-OE1 3.25Å; P347-E482 WeakPolarHBondContact CD-OE1 3.21Å; P347-E482 HydrophobicContact CG-CG 3.68Å; P347-E482 WeakPolarHBondContact CG-OE1 3.49Å
348G95.8Very high90Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-105.1137.4171.300000110.6K175 T176 D368 L369K175-G348 CarbonylContact C-O 3.32Å; K175-G348 VanDerWaalsContact CA-O 3.29Å; K175-G348 WeakPolarHBondContact CA-O 3.43Å; T176-G348 PolarHBondContact N-O 2.97Å; T176-G348 PolarHBondContact O-N 2.88Å; G348-D368 WeakPolarHBondContact CA-OD2 3.47Å; G348-L369 VanDerWaalsContact CA-CD2 3.49Å
349I96.8Very high91Very high0 Ų020.7 Ų20.70%011%0.114CC..EExtended strand (participates in β ladder)trans-129.5133.9-177.3-55.5179000108.9P82 G83 F174 F287 D368 L403 P413 L481P82-I349 HydrophobicContact CB-CB 4.12Å; P82-I349 HydrophobicContact CB-CG2 3.62Å; G83-I349 PolarHBondContact N-O 3.07Å; F174-I349 WeakPolarHBondContact O-CA 3.3Å; F287-I349 HydrophobicContact CE1-CG2 4.16Å; I349-D368 PolarHBondContact N-OD2 2.94Å; I349-D368 VanDerWaalsContact O-CB 3.23Å; I349-D368 WeakPolarHBondContact O-CB 3.31Å; I349-L403 HydrophobicContact CD1-CD1 3.89Å; I349-P413 HydrophobicContact CG2-CB 4.13Å; I349-P413 HydrophobicContact CG2-CG 3.82Å; I349-L481 HydrophobicContact CD1-CD1 3.83Å
350A96.7Very high91.6Very high0 Ų018.6 Ų18.60%011%0.11CC..EExtended strand (participates in β ladder)trans-127.3145.9169.200000110.5G83 S173 F174 L352 L361 A364 L365G83-A350 CarbonylContact O-C 3.44Å; G83-A350 WeakPolarHBondContact O-CA 3.38Å; S173-A350 CarbonylContact C-O 3.43Å; S173-A350 VanDerWaalsContact CA-O 3.32Å; S173-A350 WeakPolarHBondContact CA-O 3.26Å; F174-A350 HydrophobicContact CB-CB 4.33Å; F174-A350 PolarHBondContact N-O 3.02Å; F174-A350 PolarHBondContact O-N 3.46Å; A350-L352 HydrophobicContact CB-CD1 4.36Å; A350-L352 HydrophobicContact CB-CG 4.48Å; A350-L361 HydrophobicContact CB-CD1 3.88Å; A350-A364 HydrophobicContact CB-CB 3.79Å; A350-L365 HydrophobicContact CB-CD2 3.74Å; A350-L365 HydrophobicContact CB-CG 4.05Å
351F96.7Very high92.2Very high2 Ų218.1 Ų18.11%0.00911%0.108CC..EExtended strand (participates in β ladder)trans-128.9111.4171-172.7-119.4000107.9F38 P82 G83 V85 I168 W171 V172 S173 T411 L412 P413F38-F351 HydrophobicContact CD1-CE1 4.36Å; F38-F351 AromaticContact CE1-CE1 3.86Å; F38-F351 HydrophobicContact CE1-CE1 3.86Å; F38-F351 HydrophobicContact CE2-CD1 4.38Å; F38-F351 HydrophobicContact CE2-CE1 4.44Å; F38-F351 HydrophobicContact CZ-CD1 4.13Å; F38-F351 AromaticContact CZ-CE1 3.94Å; F38-F351 HydrophobicContact CZ-CE1 3.94Å; P82-F351 HydrophobicContact CB-CB 4.48Å; P82-F351 HydrophobicContact CG-CB 3.86Å; G83-F351 PolarHBondContact O-N 3Å; V85-F351 HydrophobicContact CG2-CB 3.9Å; V85-F351 HydrophobicContact CG2-CD1 3.89Å; V85-F351 HydrophobicContact CG2-CG 4.4Å; I168-F351 HydrophobicContact CD1-CE1 4.03Å; I168-F351 HydrophobicContact CD1-CZ 3.87Å; W171-F351 HydrophobicContact CB-CD1 4.38Å; W171-F351 HydrophobicContact CB-CD2 4.36Å; W171-F351 HydrophobicContact CB-CE1 3.64Å; W171-F351 HydrophobicContact CB-CE2 3.62Å; W171-F351 HydrophobicContact CB-CZ 3.22Å; W171-F351 HydrophobicContact CD2-CD1 4.32Å; W171-F351 HydrophobicContact CD2-CE1 4.01Å; W171-F351 AromaticContact CE3-CD1 3.62Å; W171-F351 HydrophobicContact CE3-CD1 3.62Å; W171-F351 AromaticContact CE3-CE1 3.79Å; W171-F351 HydrophobicContact CE3-CE1 3.79Å; W171-F351 HydrophobicContact CE3-CG 4.21Å; W171-F351 AromaticContact CG-CE1 3.98Å; W171-F351 HydrophobicContact CG-CE1 3.98Å; W171-F351 HydrophobicContact CG-CZ 4.04Å; W171-F351 HydrophobicContact CZ3-CD1 4.34Å; W171-F351 WeakPolarHBondContact CZ3-O 3.45Å; V172-F351 WeakPolarHBondContact O-CA 3.42Å; V172-F351 WeakPolarHBondContact O-CD2 3.45Å; S173-F351 WeakPolarHBondContact OG-CD2 3.26Å; F351-T411 WeakPolarHBondContact CE2-O 3.32Å; F351-L412 HydrophobicContact CD1-CD1 3.58Å; F351-L412 HydrophobicContact CE1-CD1 3.95Å; F351-L412 HydrophobicContact CG-CD1 4.25Å; F351-P413 HydrophobicContact CB-CG 4.26Å; F351-P413 HydrophobicContact CD2-CG 4.5Å
352L95.8Very high92.7Very high12 Ų1217.8 Ų17.86%0.06311%0.106CC..EExtended strand (participates in β ladder)trans-135.6157.7-168.1-73172.8000110.9W171 V172 F174 A350 A354 L361 A364W171-L352 CarbonylContact C-O 3.54Å; W171-L352 WeakPolarHBondContact CA-O 3.43Å; V172-L352 PolarHBondContact N-O 3.09Å; V172-L352 PolarHBondContact O-N 3.38Å; F174-L352 HydrophobicContact CE2-CB 4.25Å; A350-L352 HydrophobicContact CB-CD1 4.36Å; A350-L352 HydrophobicContact CB-CG 4.48Å; L352-A354 PolarHBondContact O-N 2.88Å; L352-L361 HydrophobicContact CD1-CB 4.13Å; L352-L361 HydrophobicContact CD1-CD1 4.05Å; L352-A364 HydrophobicContact CD1-CB 3.83Å; L352-A364 HydrophobicContact CD2-CB 4.09Å; L352-A364 HydrophobicContact CG-CB 4.17Å
353P94.5Very high93.2Very high5 Ų520.6 Ų20.63%0.03212%0.119CC..EExtended strand (participates in β ladder)trans-55.6138.7165.1-21.333.2000110.7F31 R170 W171 N355 S356F31-P353 HydrophobicContact CB-CG 4.33Å; F31-P353 HydrophobicContact CD2-CB 3.37Å; F31-P353 HydrophobicContact CD2-CG 3.52Å; F31-P353 HydrophobicContact CE2-CB 3.61Å; F31-P353 HydrophobicContact CE2-CG 4.28Å; F31-P353 HydrophobicContact CG-CG 4.36Å; R170-P353 CarbonylContact O-C 3.58Å; R170-P353 WeakPolarHBondContact O-CA 3.13Å; W171-P353 HydrophobicContact CD2-CG 4.39Å; W171-P353 HydrophobicContact CE3-CG 4.41Å; W171-P353 HydrophobicContact CH2-CG 3.81Å; W171-P353 HydrophobicContact CZ2-CG 3.84Å; W171-P353 HydrophobicContact CZ3-CG 4.13Å; P353-N355 WeakPolarHBondContact CB-OD1 3.38Å; P353-N355 PolarHBondContact O-N 2.98Å; P353-N355 VanDerWaalsContact O-N 3.1Å; P353-S356 WeakPolarHBondContact CD-OG 3.4Å; P353-S356 WeakPolarHBondContact O-CB 3.48Å; P353-S356 PolarHBondContact O-N 2.89Å; P353-S356 PolarHBondContact O-OG 2.9Å; P353-S356 VanDerWaalsContact O-OG 3.08Å
354A90.3Very high93.8Very high1 Ų117.6 Ų17.61%0.00810%0.104CC..THydrogen-bonded Turntrans-63.4-20.2-177.600000114R170 V172 L230 F235 L352 S356R170-A354 WeakPolarHBondContact O-CB 3.34Å; R170-A354 PolarHBondContact O-N 3.34Å; V172-A354 HydrophobicContact CG2-CB 3.75Å; L230-A354 HydrophobicContact CD1-CB 4.01Å; F235-A354 HydrophobicContact CD2-CB 4.45Å; F235-A354 HydrophobicContact CE1-CB 3.98Å; F235-A354 HydrophobicContact CE2-CB 3.3Å; F235-A354 HydrophobicContact CZ-CB 3.03Å; L352-A354 PolarHBondContact O-N 2.88Å; A354-S356 VanDerWaalsContact C-N 3.3Å
355N89.6Confident94.5Very high60 Ų6016.1 Ų16.132%0.3219%0.089SC..THydrogen-bonded Turntrans-8910.8172.976.9-9.2000113.3F31 K228 F235 P353F31-N355 WeakPolarHBondContact CE2-ND2 3.32Å; F31-N355 VanDerWaalsContact CE2-OD1 3.25Å; F31-N355 WeakPolarHBondContact CE2-OD1 3.16Å; K228-N355 WeakPolarHBondContact CD-O 3.37Å; K228-N355 WeakPolarHBondContact CE-O 3.44Å; K228-N355 PolarHBondContact NZ-O 3.38Å; F235-N355 HydrophobicContact CD2-CB 4.22Å; P353-N355 WeakPolarHBondContact CB-OD1 3.38Å; P353-N355 PolarHBondContact O-N 2.98Å; P353-N355 VanDerWaalsContact O-N 3.1Å
356S93.6Very high94.8Very high8 Ų815.7 Ų15.76%0.0569%0.087CC..  trans-62153.6174.1-800000111.4L229 P353 A354L229-S356 WeakPolarHBondContact CG-O 3.15Å; L229-S356 PolarHBondContact N-O 2.65Å; L229-S356 VanDerWaalsContact N-O 3.11Å; P353-S356 WeakPolarHBondContact CD-OG 3.4Å; P353-S356 WeakPolarHBondContact O-CB 3.48Å; P353-S356 PolarHBondContact O-N 2.89Å; P353-S356 PolarHBondContact O-OG 2.9Å; P353-S356 VanDerWaalsContact O-OG 3.08Å; A354-S356 VanDerWaalsContact C-N 3.3Å
357S94.6Very high94.8Very high15 Ų1516.8 Ų16.811%0.1059%0.093CC..BIsolated β-bridgetrans-84.1166.517567.10000111.8A225 E227 G359 D360 L361A225-S357 VanDerWaalsContact O-CB 3.26Å; A225-S357 WeakPolarHBondContact O-CB 3.43Å; A225-S357 PolarHBondContact O-OG 2.68Å; E227-S357 CarbonylContact O-C 3.55Å; E227-S357 WeakPolarHBondContact O-CA 3.39Å; S357-G359 PolarHBondContact O-N 3.35Å; S357-D360 WeakPolarHBondContact CB-OD2 3.23Å; S357-D360 PolarHBondContact N-OD2 2.88Å; S357-D360 PolarHBondContact O-N 3.4Å; S357-D360 PolarHBondContact OG-N 3.2Å; S357-D360 VanDerWaalsContact OG-N 3.15Å; S357-D360 PolarHBondContact OG-OD2 3.42Å; S357-L361 PolarHBondContact O-N 3.33Å; S357-L361 VanDerWaalsContact O-N 3.12Å
358V94.9Very high94.9Very high7 Ų716.7 Ų16.74%0.0429%0.092CC..Hα-helixtrans-57.5-38.8170.5174.60000111.2L216 I218 R223 Q224 A225 E227 L229 L361 L362L216-V358 HydrophobicContact CB-CG1 4.44Å; L216-V358 HydrophobicContact CD2-CG1 4.15Å; I218-V358 HydrophobicContact CD1-CG1 4.28Å; I218-V358 HydrophobicContact CD1-CG2 3.83Å; R223-V358 HydrophobicContact CB-CG1 4.14Å; R223-V358 HydrophobicContact CB-CG2 3.75Å; Q224-V358 WeakPolarHBondContact O-CB 3.43Å; A225-V358 PolarHBondContact O-N 3.02Å; E227-V358 HydrophobicContact CB-CG2 4.07Å; E227-V358 WeakPolarHBondContact O-CG2 3.4Å; E227-V358 PolarHBondContact O-N 3.21Å; L229-V358 HydrophobicContact CD2-CG2 4Å; V358-L361 PolarHBondContact O-N 3.3Å; V358-L362 PolarHBondContact O-N 2.83Å
359G94.8Very high94.8Very high23 Ų2316.7 Ų16.724%0.2379%0.092CC..Hα-helixtrans-63.1-43.5176.200000112.7A225 S357 L361 L362 E363A225-G359 PolarHBondContact O-N 3.45Å; S357-G359 PolarHBondContact O-N 3.35Å; G359-L361 VanDerWaalsContact C-N 3.3Å; G359-L361 PolarHBondContact O-N 3.15Å; G359-L362 PolarHBondContact O-N 3.09Å; G359-E363 WeakPolarHBondContact O-CB 3.48Å; G359-E363 PolarHBondContact O-N 3.33Å
360D94.7Very high94.7Very high60 Ų6016.7 Ų16.732%0.3219%0.092SC..Hα-helixtrans-61.8-40.1176.1-60.3-48.6000111.2S357 A364S357-D360 WeakPolarHBondContact CB-OD2 3.23Å; S357-D360 PolarHBondContact N-OD2 2.88Å; S357-D360 PolarHBondContact O-N 3.4Å; S357-D360 PolarHBondContact OG-N 3.2Å; S357-D360 VanDerWaalsContact OG-N 3.15Å; S357-D360 PolarHBondContact OG-OD2 3.42Å; D360-A364 VanDerWaalsContact O-CB 3.27Å; D360-A364 WeakPolarHBondContact O-CB 3.45Å; D360-A364 PolarHBondContact O-N 3.39Å
361L96Very high94.6Very high0 Ų018.3 Ų18.30%010%0.098CC..Hα-helixtrans-64.5-46.7176.4177.659.4000112F174 L216 L229 I292 A350 L352 S357 V358 G359 A364 L365F174-L361 HydrophobicContact CB-CD1 3.62Å; F174-L361 HydrophobicContact CD1-CD1 3.9Å; F174-L361 HydrophobicContact CD1-CD2 3.75Å; F174-L361 HydrophobicContact CD2-CD1 3.89Å; F174-L361 HydrophobicContact CE1-CD2 4.12Å; F174-L361 HydrophobicContact CG-CD1 3.53Å; F174-L361 HydrophobicContact CG-CD2 4.27Å; L216-L361 HydrophobicContact CD2-CB 4.29Å; L216-L361 HydrophobicContact CD2-CD2 3.68Å; L216-L361 HydrophobicContact CD2-CG 3.85Å; L229-L361 HydrophobicContact CD1-CB 3.88Å; L229-L361 HydrophobicContact CD1-CD2 4.13Å; L229-L361 HydrophobicContact CD2-CB 4.03Å; L229-L361 HydrophobicContact CD2-CD2 3.5Å; L229-L361 VanDerWaalsContact CD2-CD2 3.5Å; L229-L361 HydrophobicContact CD2-CG 4.41Å; L229-L361 HydrophobicContact CG-CD2 4.47Å; I292-L361 HydrophobicContact CD1-CD2 4.18Å; A350-L361 HydrophobicContact CB-CD1 3.88Å; L352-L361 HydrophobicContact CD1-CB 4.13Å; L352-L361 HydrophobicContact CD1-CD1 4.05Å; S357-L361 PolarHBondContact O-N 3.33Å; S357-L361 VanDerWaalsContact O-N 3.12Å; V358-L361 PolarHBondContact O-N 3.3Å; G359-L361 VanDerWaalsContact C-N 3.3Å; G359-L361 PolarHBondContact O-N 3.15Å; L361-A364 PolarHBondContact O-N 2.82Å; L361-L365 HydrophobicContact CD1-CD1 3.73Å; L361-L365 HydrophobicContact CD1-CD2 4.48Å; L361-L365 HydrophobicContact CD1-CG 3.87Å; L361-L365 HydrophobicContact CG-CD1 3.84Å; L361-L365 HydrophobicContact CG-CG 4.39Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.48Å; L361-L365 PolarHBondContact O-N 2.85Å
362L95.7Very high94.5Very high24 Ų2418.2 Ų18.213%0.12610%0.098CC..Hα-helixtrans-61.8-44.4177.8179.758.7000111.3L216 V358 G359 L365 R366L216-L362 HydrophobicContact CB-CB 4.49Å; L216-L362 HydrophobicContact CB-CD1 4.3Å; L216-L362 HydrophobicContact CD1-CD1 4.33Å; L216-L362 HydrophobicContact CD2-CB 4.47Å; V358-L362 PolarHBondContact O-N 2.83Å; G359-L362 PolarHBondContact O-N 3.09Å; L362-L365 PolarHBondContact O-N 2.73Å; L362-R366 HydrophobicContact CD1-CG 4.21Å; L362-R366 WeakPolarHBondContact O-CB 3.5Å; L362-R366 WeakPolarHBondContact O-CD 3.28Å; L362-R366 VanDerWaalsContact O-CG 3.24Å; L362-R366 WeakPolarHBondContact O-CG 3.1Å; L362-R366 PolarHBondContact O-N 2.91Å
363E94.9Very high94.4Very high59 Ų5917.6 Ų17.628%0.27610%0.095SC..Hα-helixtrans-59.5-47175.5-173.2-178.2172.500111.1K127 G359 R366 N367K127-E363 IonicContact NZ-OE1 2.71Å; K127-E363 IonicContact NZ-OE2 2.69Å; K127-E363 PolarHBondContact NZ-OE2 2.85Å; G359-E363 WeakPolarHBondContact O-CB 3.48Å; G359-E363 PolarHBondContact O-N 3.33Å; E363-R366 PolarHBondContact O-N 3.44Å; E363-N367 WeakPolarHBondContact O-CB 3.45Å; E363-N367 PolarHBondContact O-N 2.8Å; E363-N367 PolarHBondContact O-ND2 3.43Å
364A95.3Very high94.4Very high5 Ų518 Ų184%0.04110%0.097CC..Hα-helixtrans-61.9-47.1179.100000112.5G83 A350 L352 D360 L361 N367 D368G83-A364 VanDerWaalsContact CA-O 3.29Å; G83-A364 WeakPolarHBondContact CA-O 3.32Å; A350-A364 HydrophobicContact CB-CB 3.79Å; L352-A364 HydrophobicContact CD1-CB 3.83Å; L352-A364 HydrophobicContact CD2-CB 4.09Å; L352-A364 HydrophobicContact CG-CB 4.17Å; D360-A364 VanDerWaalsContact O-CB 3.27Å; D360-A364 WeakPolarHBondContact O-CB 3.45Å; D360-A364 PolarHBondContact O-N 3.39Å; L361-A364 PolarHBondContact O-N 2.82Å; A364-N367 PolarHBondContact O-N 2.88Å; A364-D368 WeakPolarHBondContact O-CB 3.44Å; A364-D368 PolarHBondContact O-N 2.96Å
365L96.4Very high94.5Very high0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-65.5-41.3179.6-69.9170.6000111.8T176 L216 I292 I294 A350 L361 L362 D368 L369T176-L365 HydrophobicContact CG2-CD1 4.07Å; T176-L365 HydrophobicContact CG2-CD2 3.9Å; T176-L365 HydrophobicContact CG2-CG 4.39Å; L216-L365 HydrophobicContact CD1-CD1 4.1Å; I292-L365 HydrophobicContact CG2-CD1 3.87Å; I294-L365 HydrophobicContact CD1-CB 4Å; I294-L365 HydrophobicContact CD1-CD1 4.43Å; A350-L365 HydrophobicContact CB-CD2 3.74Å; A350-L365 HydrophobicContact CB-CG 4.05Å; L361-L365 HydrophobicContact CD1-CD1 3.73Å; L361-L365 HydrophobicContact CD1-CD2 4.48Å; L361-L365 HydrophobicContact CD1-CG 3.87Å; L361-L365 HydrophobicContact CG-CD1 3.84Å; L361-L365 HydrophobicContact CG-CG 4.39Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.48Å; L361-L365 PolarHBondContact O-N 2.85Å; L362-L365 PolarHBondContact O-N 2.73Å; L365-D368 PolarHBondContact O-N 3.11Å; L365-L369 WeakPolarHBondContact O-CB 3.35Å; L365-L369 WeakPolarHBondContact O-CD1 3.45Å; L365-L369 WeakPolarHBondContact O-CG 3.43Å; L365-L369 PolarHBondContact O-N 2.67Å
366R95.3Very high94.7Very high43 Ų4315.7 Ų15.716%0.1629%0.085CC..Hα-helixtrans-58.5-49.2174.1-77.1168.4170.1-178-6.8111.6L210 V211 T214 L362 E363 D368 L369 V370L210-R366 PolarHBondContact O-NE 3.22Å; L210-R366 VanDerWaalsContact O-NE 3.16Å; V211-R366 PolarHBondContact O-NH1 3.01Å; T214-R366 PolarHBondContact O-NH2 3.48Å; T214-R366 PolarHBondContact OG1-NE 3.36Å; T214-R366 PolarHBondContact OG1-NH2 2.88Å; L362-R366 HydrophobicContact CD1-CG 4.21Å; L362-R366 WeakPolarHBondContact O-CB 3.5Å; L362-R366 WeakPolarHBondContact O-CD 3.28Å; L362-R366 VanDerWaalsContact O-CG 3.24Å; L362-R366 WeakPolarHBondContact O-CG 3.1Å; L362-R366 PolarHBondContact O-N 2.91Å; E363-R366 PolarHBondContact O-N 3.44Å; R366-D368 VanDerWaalsContact C-N 3.3Å; R366-D368 PolarHBondContact O-N 2.69Å; R366-L369 PolarHBondContact O-N 3.07Å; R366-V370 WeakPolarHBondContact O-CB 3.34Å; R366-V370 VanDerWaalsContact O-CG2 3.26Å; R366-V370 WeakPolarHBondContact O-CG2 3.45Å; R366-V370 PolarHBondContact O-N 3.31Å
367N93.9Very high94.6Very high24 Ų2415.3 Ų15.313%0.1288%0.083CC..Hα-helixtrans-60.5-41.1179.4-71.7-19.1000111.8I124 E363 A364 R371I124-N367 HydrophobicContact CD1-CB 4.27Å; I124-N367 HydrophobicContact CG2-CB 4.4Å; E363-N367 WeakPolarHBondContact O-CB 3.45Å; E363-N367 PolarHBondContact O-N 2.8Å; E363-N367 PolarHBondContact O-ND2 3.43Å; A364-N367 PolarHBondContact O-N 2.88Å; N367-R371 VanDerWaalsContact O-CB 3.26Å; N367-R371 WeakPolarHBondContact O-CB 3.5Å; N367-R371 PolarHBondContact O-N 3.46Å
368D95.8Very high94.5Very high2 Ų219.5 Ų19.51%0.01110%0.101CC..Hα-helixtrans-66.1-45.5176.3-178.475.9000112.8P82 G83 G348 I349 A364 L365 R366 R371 S372 R401P82-D368 WeakPolarHBondContact CA-OD1 3.43Å; G83-D368 PolarHBondContact N-OD1 2.98Å; G348-D368 WeakPolarHBondContact CA-OD2 3.47Å; I349-D368 PolarHBondContact N-OD2 2.94Å; I349-D368 VanDerWaalsContact O-CB 3.23Å; I349-D368 WeakPolarHBondContact O-CB 3.31Å; A364-D368 WeakPolarHBondContact O-CB 3.44Å; A364-D368 PolarHBondContact O-N 2.96Å; L365-D368 PolarHBondContact O-N 3.11Å; R366-D368 VanDerWaalsContact C-N 3.3Å; R366-D368 PolarHBondContact O-N 2.69Å; D368-R371 PolarHBondContact O-N 2.71Å; D368-S372 WeakPolarHBondContact O-CB 3.35Å; D368-S372 PolarHBondContact O-N 3.34Å; D368-R401 IonicContact OD1-CZ 2.86Å; D368-R401 IonicContact OD1-NH1 3.74Å; D368-R401 IonicContact OD1-NH2 3.18Å; D368-R401 PolarHBondContact OD1-NH2 2.83Å; D368-R401 IonicContact OD2-CZ 3.24Å; D368-R401 IonicContact OD2-NH1 3.37Å; D368-R401 PolarHBondContact OD2-NH1 2.89Å; D368-R401 IonicContact OD2-NH2 3.02Å; D368-R401 PolarHBondContact OD2-NH2 3.24Å
369L95.4Very high94.3Very high0 Ų020.8 Ų20.80%011%0.107CC..Hα-helixtrans-63.7-46.5179.3-74.1164.3000111.8T176 I178 L210 I294 I346 G348 L365 R366 R371 S372 I373T176-L369 HydrophobicContact CG2-CD1 4.29Å; I178-L369 HydrophobicContact CD1-CB 4.29Å; I178-L369 HydrophobicContact CD1-CD1 4.11Å; I178-L369 HydrophobicContact CD1-CD2 3.84Å; I178-L369 HydrophobicContact CD1-CG 4.3Å; I178-L369 HydrophobicContact CG1-CD2 3.96Å; I178-L369 HydrophobicContact CG2-CD1 4.09Å; L210-L369 HydrophobicContact CD1-CD1 4.33Å; L210-L369 HydrophobicContact CD2-CB 3.87Å; I294-L369 HydrophobicContact CD1-CD1 3.47Å; I294-L369 VanDerWaalsContact CD1-CD1 3.47Å; I346-L369 HydrophobicContact CB-CD2 4.45Å; I346-L369 HydrophobicContact CG2-CD2 3.9Å; G348-L369 VanDerWaalsContact CA-CD2 3.49Å; L365-L369 WeakPolarHBondContact O-CB 3.35Å; L365-L369 WeakPolarHBondContact O-CD1 3.45Å; L365-L369 WeakPolarHBondContact O-CG 3.43Å; L365-L369 PolarHBondContact O-N 2.67Å; R366-L369 PolarHBondContact O-N 3.07Å; L369-R371 VanDerWaalsContact C-N 3.3Å; L369-R371 PolarHBondContact O-N 3.13Å; L369-S372 PolarHBondContact O-N 2.85Å; L369-I373 VanDerWaalsContact O-CG1 3.26Å; L369-I373 WeakPolarHBondContact O-CG1 3.45Å; L369-I373 PolarHBondContact O-N 2.92Å
370V94.5Very high94.1Very high0 Ų019.7 Ų19.70%010%0.096CC..Hα-helixtrans-55.7-48.9173.4169.40000109.9M120 F123 I124 L207 L210 V211 R366 S372 I373 L374M120-V370 HydrophobicContact SD-CG1 4.07Å; F123-V370 HydrophobicContact CB-CG1 3.86Å; F123-V370 HydrophobicContact CB-CG2 4.27Å; I124-V370 HydrophobicContact CD1-CG1 4.38Å; I124-V370 HydrophobicContact CG1-CB 4.41Å; I124-V370 HydrophobicContact CG1-CG1 4.02Å; L207-V370 HydrophobicContact CD2-CG2 4.23Å; L210-V370 HydrophobicContact CD2-CG2 4.02Å; V211-V370 HydrophobicContact CG1-CG2 3.83Å; R366-V370 WeakPolarHBondContact O-CB 3.34Å; R366-V370 VanDerWaalsContact O-CG2 3.26Å; R366-V370 WeakPolarHBondContact O-CG2 3.45Å; R366-V370 PolarHBondContact O-N 3.31Å; V370-S372 PolarHBondContact O-N 2.92Å; V370-I373 PolarHBondContact O-N 3.44Å; V370-L374 HydrophobicContact CG1-CD1 3.99Å; V370-L374 HydrophobicContact CG1-CG 4.5Å; V370-L374 WeakPolarHBondContact O-CG 3.33Å; V370-L374 PolarHBondContact O-N 3.03Å
371R93.5Very high93.9Very high34 Ų3416.9 Ų16.913%0.1288%0.081CC..Hα-helixtrans-62.9-43.8-179.1-167.6179.1-53.4109.11.4112.5A78 I81 M120 I124 N367 D368 L369 L374 A375A78-R371 WeakPolarHBondContact O-CD 3.49Å; I81-R371 PolarHBondContact O-NH1 3.44Å; M120-R371 HydrophobicContact CE-CB 4.33Å; M120-R371 HydrophobicContact CE-CG 3.98Å; M120-R371 HydrophobicContact SD-CB 4.3Å; M120-R371 HydrophobicContact SD-CG 4.41Å; I124-R371 HydrophobicContact CD1-CB 4.41Å; N367-R371 VanDerWaalsContact O-CB 3.26Å; N367-R371 WeakPolarHBondContact O-CB 3.5Å; N367-R371 PolarHBondContact O-N 3.46Å; D368-R371 PolarHBondContact O-N 2.71Å; L369-R371 VanDerWaalsContact C-N 3.3Å; L369-R371 PolarHBondContact O-N 3.13Å; R371-L374 PolarHBondContact O-N 3.23Å; R371-A375 VanDerWaalsContact O-CB 3.24Å; R371-A375 WeakPolarHBondContact O-CB 3.4Å; R371-A375 PolarHBondContact O-N 3.47Å
372S94.7Very high93.4Very high0 Ų020.2 Ų20.20%010%0.097CC..Hα-helixtrans-62.3-46.4177.6168.70000111.4D368 L369 V370 R376 Y417D368-S372 WeakPolarHBondContact O-CB 3.35Å; D368-S372 PolarHBondContact O-N 3.34Å; L369-S372 PolarHBondContact O-N 2.85Å; V370-S372 PolarHBondContact O-N 2.92Å; S372-R376 WeakPolarHBondContact O-CB 3.36Å; S372-R376 WeakPolarHBondContact O-CG 3.41Å; S372-R376 PolarHBondContact O-N 3.39Å; S372-R376 PolarHBondContact OG-NE 3Å; S372-R376 VanDerWaalsContact OG-NE 3.07Å; S372-R376 PolarHBondContact OG-NH2 3.05Å; S372-Y417 WeakPolarHBondContact CA-OH 3.11Å; S372-Y417 WeakPolarHBondContact CB-OH 3.19Å
373I94.4Very high92.9Very high0 Ų021.8 Ų21.80%010%0.103CC..Hα-helixtrans-60.2-51.7177.7-68.8166.3000110.4I178 L180 V203 Y206 L207 I346 L369 V370 A375 R376 L377I178-I373 HydrophobicContact CD1-CD1 4.22Å; L180-I373 HydrophobicContact CD2-CG2 4.4Å; V203-I373 HydrophobicContact CG2-CG2 3.73Å; Y206-I373 HydrophobicContact CD1-CD1 4.33Å; Y206-I373 HydrophobicContact CE1-CD1 3.85Å; L207-I373 HydrophobicContact CD2-CB 4.3Å; L207-I373 HydrophobicContact CD2-CD1 3.77Å; L207-I373 HydrophobicContact CD2-CG2 4.15Å; I346-I373 HydrophobicContact CG1-CG1 4.32Å; I346-I373 HydrophobicContact CG2-CG1 4.06Å; L369-I373 VanDerWaalsContact O-CG1 3.26Å; L369-I373 WeakPolarHBondContact O-CG1 3.45Å; L369-I373 PolarHBondContact O-N 2.92Å; V370-I373 PolarHBondContact O-N 3.44Å; I373-A375 PolarHBondContact O-N 3.33Å; I373-R376 PolarHBondContact O-N 3.07Å; I373-L377 HydrophobicContact CG2-CD1 3.93Å; I373-L377 HydrophobicContact CG2-CG 4.38Å; I373-L377 WeakPolarHBondContact O-CG 3.34Å; I373-L377 PolarHBondContact O-N 2.87Å
374L93.6Very high92.5Very high14 Ų1419.1 Ų19.17%0.0739%0.091CC..Hα-helixtrans-63.8-40.9-177.5-68-177.9000112.5L119 M120 V203 L207 V370 R371 R376 L377 Q378L119-L374 HydrophobicContact CD2-CD1 4.17Å; L119-L374 HydrophobicContact CD2-CD2 3.49Å; L119-L374 VanDerWaalsContact CD2-CD2 3.49Å; L119-L374 HydrophobicContact CD2-CG 4.49Å; L119-L374 HydrophobicContact CG-CD1 4.43Å; M120-L374 HydrophobicContact CE-CB 3.99Å; M120-L374 HydrophobicContact CE-CD1 3.71Å; M120-L374 HydrophobicContact CE-CG 4.46Å; M120-L374 HydrophobicContact SD-CD1 3.85Å; V203-L374 HydrophobicContact CG1-CD2 4.36Å; L207-L374 HydrophobicContact CD1-CD1 4.37Å; L207-L374 HydrophobicContact CD1-CD2 3.7Å; L207-L374 HydrophobicContact CD1-CG 4.06Å; V370-L374 HydrophobicContact CG1-CD1 3.99Å; V370-L374 HydrophobicContact CG1-CG 4.5Å; V370-L374 WeakPolarHBondContact O-CG 3.33Å; V370-L374 PolarHBondContact O-N 3.03Å; R371-L374 PolarHBondContact O-N 3.23Å; L374-R376 PolarHBondContact O-N 3.46Å; L374-L377 PolarHBondContact O-N 3.11Å; L374-Q378 WeakPolarHBondContact O-CB 3.26Å; L374-Q378 PolarHBondContact O-N 3.4Å
375A92.8Very high92Very high10 Ų1023 Ų238%0.08311%0.108CC..Hα-helixtrans-62.1-43.8176.200000111.8R79 R371 I373 Q378 L379 Y417R79-A375 HydrophobicContact CB-CB 3.91Å; R371-A375 VanDerWaalsContact O-CB 3.24Å; R371-A375 WeakPolarHBondContact O-CB 3.4Å; R371-A375 PolarHBondContact O-N 3.47Å; I373-A375 PolarHBondContact O-N 3.33Å; A375-Q378 PolarHBondContact O-N 3.47Å; A375-L379 VanDerWaalsContact O-CG 3.32Å; A375-L379 WeakPolarHBondContact O-CG 3.44Å; A375-L379 PolarHBondContact O-N 3.49Å; A375-Y417 HydrophobicContact CB-CD2 4.46Å; A375-Y417 HydrophobicContact CB-CE2 3.93Å
376R93.4Very high91.3Very high1 Ų129.6 Ų29.60%0.00414%0.142CC..Hα-helixtrans-67.1-38.9178.3-68.8175.5-161.6-142.614.2112.6S372 I373 L374 Q378 L379 L380 L398 P399 Y417 E482S372-R376 WeakPolarHBondContact O-CB 3.36Å; S372-R376 WeakPolarHBondContact O-CG 3.41Å; S372-R376 PolarHBondContact O-N 3.39Å; S372-R376 PolarHBondContact OG-NE 3Å; S372-R376 VanDerWaalsContact OG-NE 3.07Å; S372-R376 PolarHBondContact OG-NH2 3.05Å; I373-R376 PolarHBondContact O-N 3.07Å; L374-R376 PolarHBondContact O-N 3.46Å; R376-Q378 VanDerWaalsContact C-N 3.34Å; R376-L379 PolarHBondContact O-N 3.07Å; R376-L380 VanDerWaalsContact O-CB 3.27Å; R376-L380 WeakPolarHBondContact O-CB 3.24Å; R376-L380 PolarHBondContact O-N 2.87Å; R376-L398 HydrophobicContact CB-CB 4.26Å; R376-L398 HydrophobicContact CB-CD2 3.89Å; R376-L398 HydrophobicContact CB-CG 4.47Å; R376-P399 WeakPolarHBondContact CD-O 3.24Å; R376-P399 PolarHBondContact NH1-O 3.17Å; R376-Y417 HydrophobicContact CG-CD1 3.52Å; R376-Y417 HydrophobicContact CG-CE1 3.73Å; R376-Y417 HydrophobicContact CG-CG 4.24Å; R376-E482 IonicContact CZ-OE1 3.88Å; R376-E482 IonicContact NH1-OE1 2.67Å; R376-E482 PolarHBondContact NH1-OE1 3.1Å; R376-E482 IonicContact NH1-OE2 3.68Å; R376-E482 PolarHBondContact NH1-OE2 2.71Å; R376-E482 IonicContact NH2-OE1 2.54Å; R376-E482 PolarHBondContact NH2-OE1 2.85Å
377L92.7Very high90.3Very high1 Ų129.7 Ų29.71%0.00515%0.147CC..Hα-helixtrans-66.3-37.9174.8-68.2176.4000111.9L182 L199 V203 I342 I373 L374 L380 T381 L398L182-L377 HydrophobicContact CD2-CD2 4.31Å; L199-L377 HydrophobicContact CB-CD2 4.33Å; L199-L377 HydrophobicContact CD1-CB 4.49Å; L199-L377 HydrophobicContact CD1-CD2 4.38Å; L199-L377 HydrophobicContact CD2-CD2 4.35Å; V203-L377 HydrophobicContact CB-CD1 3.93Å; V203-L377 HydrophobicContact CG1-CD1 3.63Å; V203-L377 HydrophobicContact CG2-CD1 4.17Å; I342-L377 HydrophobicContact CD1-CD2 4.08Å; I373-L377 HydrophobicContact CG2-CD1 3.93Å; I373-L377 HydrophobicContact CG2-CG 4.38Å; I373-L377 WeakPolarHBondContact O-CG 3.34Å; I373-L377 PolarHBondContact O-N 2.87Å; L374-L377 PolarHBondContact O-N 3.11Å; L377-L380 PolarHBondContact O-N 3.16Å; L377-T381 PolarHBondContact O-N 3.19Å; L377-T381 PolarHBondContact O-OG1 2.91Å; L377-L398 HydrophobicContact CD2-CD2 3.9Å
378Q91.6Very high88.8Confident103 Ų10331.7 Ų31.748%0.48116%0.163SC..Hα-helixtrans-63.4-46.3174.1-174.2180-3.500111.1L374 A375 R376 T381 E382L374-Q378 WeakPolarHBondContact O-CB 3.26Å; L374-Q378 PolarHBondContact O-N 3.4Å; A375-Q378 PolarHBondContact O-N 3.47Å; R376-Q378 VanDerWaalsContact C-N 3.34Å; Q378-T381 VanDerWaalsContact O-CB 3.27Å; Q378-T381 WeakPolarHBondContact O-CB 3.35Å; Q378-T381 PolarHBondContact O-N 3.3Å; Q378-E382 PolarHBondContact O-N 3.24Å
379L91.1Very high87Confident34 Ų3435.4 Ų35.418%0.17819%0.194CC..Hα-helixtrans-62-45.2176-72.1172000111.9A375 R376 T381 E382 E383 P399 Y417 F419A375-L379 VanDerWaalsContact O-CG 3.32Å; A375-L379 WeakPolarHBondContact O-CG 3.44Å; A375-L379 PolarHBondContact O-N 3.49Å; R376-L379 PolarHBondContact O-N 3.07Å; L379-T381 PolarHBondContact O-N 3.32Å; L379-E382 WeakPolarHBondContact O-CB 3.4Å; L379-E382 PolarHBondContact O-N 3.36Å; L379-E383 PolarHBondContact O-N 3.44Å; L379-P399 HydrophobicContact CB-CG 3.95Å; L379-P399 HydrophobicContact CD1-CB 4.42Å; L379-P399 HydrophobicContact CD1-CG 4.43Å; L379-Y417 HydrophobicContact CD1-CD2 4.11Å; L379-Y417 HydrophobicContact CD1-CG 4.05Å; L379-F419 HydrophobicContact CB-CE2 4.35Å; L379-F419 HydrophobicContact CB-CZ 3.78Å
380L89.5Confident85Confident0 Ų043.5 Ų43.50%023%0.232CC..Hα-helixtrans-59.7-33.5175.7-175.665.8000112.2I342 R376 L377 E382 E383 L384 M396 L398I342-L380 HydrophobicContact CD1-CD2 3.67Å; I342-L380 HydrophobicContact CG1-CD2 4.25Å; R376-L380 VanDerWaalsContact O-CB 3.27Å; R376-L380 WeakPolarHBondContact O-CB 3.24Å; R376-L380 PolarHBondContact O-N 2.87Å; L377-L380 PolarHBondContact O-N 3.16Å; L380-E382 VanDerWaalsContact C-N 3.32Å; L380-E382 PolarHBondContact O-N 3.07Å; L380-E383 PolarHBondContact O-N 2.95Å; L380-L384 HydrophobicContact CD2-CD1 4.36Å; L380-L384 HydrophobicContact CG-CD1 3.95Å; L380-L384 HydrophobicContact CG-CG 4.35Å; L380-L384 WeakPolarHBondContact O-CB 3.12Å; L380-L384 WeakPolarHBondContact O-CG 3.39Å; L380-L384 PolarHBondContact O-N 3.15Å; L380-M396 HydrophobicContact CD1-CB 4.23Å; L380-M396 HydrophobicContact CD1-CE 3.49Å; L380-M396 VanDerWaalsContact CD1-CE 3.49Å; L380-M396 HydrophobicContact CD1-SD 3.91Å; L380-L398 HydrophobicContact CD2-CD2 3.98Å
381T90.7Very high83.2Confident1 Ų147 Ų471%0.00625%0.25CS..Hα-helixtrans-61-41.9175-56.90000111.3K192 I195 L196 L199 L377 Q378 L379 E383 L384 H385K192-T381 HydrophobicContact CG-CG2 3.84Å; K192-T381 VanDerWaalsContact O-CG2 3.25Å; K192-T381 WeakPolarHBondContact O-CG2 3.46Å; I195-T381 HydrophobicContact CB-CG2 3.96Å; I195-T381 HydrophobicContact CG2-CG2 3.87Å; L196-T381 HydrophobicContact CB-CG2 3.82Å; L199-T381 WeakPolarHBondContact CD1-OG1 3.35Å; L377-T381 PolarHBondContact O-N 3.19Å; L377-T381 PolarHBondContact O-OG1 2.91Å; Q378-T381 VanDerWaalsContact O-CB 3.27Å; Q378-T381 WeakPolarHBondContact O-CB 3.35Å; Q378-T381 PolarHBondContact O-N 3.3Å; L379-T381 PolarHBondContact O-N 3.32Å; T381-E383 VanDerWaalsContact C-N 3.32Å; T381-E383 PolarHBondContact O-N 3.33Å; T381-L384 PolarHBondContact O-N 3.46Å; T381-H385 VanDerWaalsContact O-CB 3.28Å; T381-H385 WeakPolarHBondContact O-CB 3.3Å; T381-H385 PolarHBondContact O-N 3.28Å
382E86.8Confident81.3Confident70 Ų7054 Ų5433%0.32728%0.284SS..Hα-helixtrans-61.5-43.4178.1-54.5-61.3160.900111K192 Q378 L379 L380 H385 I386K192-E382 VanDerWaalsContact CE-CD 3.41Å; K192-E382 WeakPolarHBondContact CE-OE1 3.45Å; K192-E382 VanDerWaalsContact CE-OE2 3.23Å; K192-E382 WeakPolarHBondContact CE-OE2 3.47Å; K192-E382 IonicContact NZ-OE1 2.67Å; K192-E382 PolarHBondContact NZ-OE1 3.03Å; K192-E382 IonicContact NZ-OE2 3.7Å; K192-E382 PolarHBondContact NZ-OE2 3.45Å; Q378-E382 PolarHBondContact O-N 3.24Å; L379-E382 WeakPolarHBondContact O-CB 3.4Å; L379-E382 PolarHBondContact O-N 3.36Å; L380-E382 VanDerWaalsContact C-N 3.32Å; L380-E382 PolarHBondContact O-N 3.07Å; E382-H385 PolarHBondContact O-N 3.31Å; E382-I386 PolarHBondContact O-N 2.96Å
383E85.1Confident79.4Confident56 Ų5657.6 Ų57.626%0.26231%0.306SS..Hα-helixtrans-66-47.2178-174.9174.6-154.400111.8L379 L380 T381 H385 I386 T387 F419L379-E383 PolarHBondContact O-N 3.44Å; L380-E383 PolarHBondContact O-N 2.95Å; T381-E383 VanDerWaalsContact C-N 3.32Å; T381-E383 PolarHBondContact O-N 3.33Å; E383-H385 PolarHBondContact O-N 3Å; E383-I386 VanDerWaalsContact O-CG1 3.23Å; E383-I386 WeakPolarHBondContact O-CG1 3.3Å; E383-I386 PolarHBondContact O-N 3.4Å; E383-T387 WeakPolarHBondContact O-CB 3.48Å; E383-T387 PolarHBondContact O-N 3.17Å; E383-T387 PolarHBondContact O-OG1 3.42Å; E383-F419 HydrophobicContact CB-CE1 3.98Å; E383-F419 HydrophobicContact CB-CZ 4.49Å; E383-F419 HydrophobicContact CG-CE1 4.45Å; E383-F419 VanDerWaalsContact OE2-CD1 3.22Å; E383-F419 WeakPolarHBondContact OE2-CD1 3.41Å; E383-F419 WeakPolarHBondContact OE2-CE1 3.33Å
384L85.3Confident77.9Confident4 Ų461 Ų612%0.02133%0.329CS..Hα-helixtrans-62.3-31.3177.6-83.5172.4000113.4L186 I195 L199 L340 L380 T381 M396L186-L384 HydrophobicContact CD1-CB 4.44Å; L186-L384 HydrophobicContact CD1-CD1 3.99Å; L186-L384 HydrophobicContact CD1-CD2 3.99Å; L186-L384 HydrophobicContact CD1-CG 4.4Å; L186-L384 HydrophobicContact CD2-CD2 4.08Å; I195-L384 HydrophobicContact CD1-CB 4.13Å; I195-L384 HydrophobicContact CG2-CB 4.1Å; I195-L384 HydrophobicContact CG2-CD1 3.84Å; L199-L384 HydrophobicContact CD1-CD1 4.43Å; L340-L384 HydrophobicContact CD2-CD1 4.06Å; L380-L384 HydrophobicContact CD2-CD1 4.36Å; L380-L384 HydrophobicContact CG-CD1 3.95Å; L380-L384 HydrophobicContact CG-CG 4.35Å; L380-L384 WeakPolarHBondContact O-CB 3.12Å; L380-L384 WeakPolarHBondContact O-CG 3.39Å; L380-L384 PolarHBondContact O-N 3.15Å; T381-L384 PolarHBondContact O-N 3.46Å; L384-M396 HydrophobicContact CD1-SD 4.03Å; L384-M396 HydrophobicContact CD2-CE 3.93Å; L384-M396 HydrophobicContact CD2-SD 3.18Å; L384-M396 WeakPolarHBondContact CD2-SD 3.41Å; L384-M396 HydrophobicContact CG-CE 4.09Å; L384-M396 HydrophobicContact CG-SD 3.61Å
385H85.4Confident76.8Confident87 Ų8769 Ų6940%0.40336%0.358SS..Hα-helixtrans-70.2-37.3178.6177.154.3000112.2R190 K192 I195 T381 E382 E383R190-H385 PolarHBondContact O-ND1 3.22Å; K192-H385 HydrophobicContact CB-CB 4.29Å; I195-H385 HydrophobicContact CD1-CB 4.33Å; T381-H385 VanDerWaalsContact O-CB 3.28Å; T381-H385 WeakPolarHBondContact O-CB 3.3Å; T381-H385 PolarHBondContact O-N 3.28Å; E382-H385 PolarHBondContact O-N 3.31Å; E383-H385 PolarHBondContact O-N 3Å
386I81.3Confident76Confident138 Ų13869.8 Ų69.871%0.70836%0.36SS*.Hα-helixtrans-88.5-18.7-178.363.2175.1000113.6E382 E383E382-I386 PolarHBondContact O-N 2.96Å; E383-I386 VanDerWaalsContact O-CG1 3.23Å; E383-I386 WeakPolarHBondContact O-CG1 3.3Å; E383-I386 PolarHBondContact O-N 3.4Å
387T75.2Confident75.4Confident44 Ų4475.1 Ų75.127%0.2739%0.388SS..SBendtrans-79.9141.3-173.3-47.10000112.8R190 E383 L391R190-T387 PolarHBondContact NH1-O 2.94Å; E383-T387 WeakPolarHBondContact O-CB 3.48Å; E383-T387 PolarHBondContact O-N 3.17Å; E383-T387 PolarHBondContact O-OG1 3.42Å; T387-L391 HydrophobicContact CG2-CD1 3.12Å; T387-L391 HydrophobicContact CG2-CD2 4.34Å; T387-L391 HydrophobicContact CG2-CG 3.61Å
388S62.3Low75.1Confident66 Ų6676 Ų7646%0.46239%0.392SS..  trans-53.2143-177.2-176.40000112.6R190 E390 L391R190-S388 PolarHBondContact NH1-O 2.64Å; S388-E390 PolarHBondContact O-N 2.86Å; S388-L391 PolarHBondContact O-N 2.74Å
389A57.6Low75.1Confident81 Ų8171.2 Ų71.267%0.66937%0.37SS*.THydrogen-bonded Turntrans-54.4-21.5176.800000113.6R190 L391R190-A389 VanDerWaalsContact CZ-CA 3.44Å; R190-A389 PolarHBondContact NH2-O 3.4Å; R190-A389 VanDerWaalsContact NH2-O 3.15Å; A389-L391 VanDerWaalsContact C-N 3.29Å; A389-L391 PolarHBondContact O-N 3.18Å
390E54.5Low75.2Confident169 Ų16972.1 Ų72.179%0.7937%0.374SS*.THydrogen-bonded Turntrans-77.7-2.4-177.4-64.4174.4170.400114.7S388 E392S388-E390 PolarHBondContact O-N 2.86Å; E390-E392 VanDerWaalsContact C-N 3.35Å; E390-E392 PolarHBondContact O-N 2.68Å
391L55.8Low75.5Confident73 Ų7372.1 Ų72.138%0.38237%0.374SS..  trans-65.395.4171.5-78.7-176000111T387 S388 A389 V393T387-L391 HydrophobicContact CG2-CD1 3.12Å; T387-L391 HydrophobicContact CG2-CD2 4.34Å; T387-L391 HydrophobicContact CG2-CG 3.61Å; S388-L391 PolarHBondContact O-N 2.74Å; A389-L391 VanDerWaalsContact C-N 3.29Å; A389-L391 PolarHBondContact O-N 3.18Å; L391-V393 HydrophobicContact CB-CG2 4.39Å; L391-V393 HydrophobicContact CD2-CG2 3.75Å; L391-V393 PolarHBondContact O-N 3.25Å; L391-V393 VanDerWaalsContact O-N 3.1Å
392E53.1Low75.6Confident182 Ų18272.1 Ų72.185%0.8537%0.374SS*.  trans-7742.9161.3-65.1-171.116300111E390 P394E390-E392 VanDerWaalsContact C-N 3.35Å; E390-E392 PolarHBondContact O-N 2.68Å; E392-P394 WeakPolarHBondContact O-CD 2.72Å
393V55.6Low76Confident76 Ų7668.8 Ų68.846%0.46136%0.358SS..  trans-103.698.6-177.5-169.90000109.2L391 R395L391-V393 HydrophobicContact CB-CG2 4.39Å; L391-V393 HydrophobicContact CD2-CG2 3.75Å; L391-V393 PolarHBondContact O-N 3.25Å; L391-V393 VanDerWaalsContact O-N 3.1Å; V393-R395 VanDerWaalsContact CG1-O 3.23Å; V393-R395 WeakPolarHBondContact CG1-O 3.43Å; V393-R395 PolarHBondContact O-N 3.39Å; V393-R395 VanDerWaalsContact O-N 3.1Å
394P61.9Low76.4Confident72 Ų7266.1 Ų66.147%0.46835%0.346SS..SBendtrans-68.9-7.1-17825.7-33.6000113.5L341 E392L341-P394 WeakPolarHBondContact CB-O 3.4Å; L341-P394 PolarHBondContact N-O 2.98Å; E392-P394 WeakPolarHBondContact O-CD 2.72Å
395R70.5Confident76.7Confident181 Ų18167.8 Ų67.868%0.68335%0.352SS*.BIsolated β-bridgetrans-131.6117.6-174.4-68.5-177.6176.4177.8-0.7111.2L341 V393L341-R395 HydrophobicContact CB-CG 4.31Å; L341-R395 HydrophobicContact CD2-CG 4.23Å; L341-R395 WeakPolarHBondContact O-CA 3.22Å; V393-R395 VanDerWaalsContact CG1-O 3.23Å; V393-R395 WeakPolarHBondContact CG1-O 3.43Å; V393-R395 PolarHBondContact O-N 3.39Å; V393-R395 VanDerWaalsContact O-N 3.1Å
396M76.9Confident77Confident26 Ų2663.7 Ų63.713%0.12833%0.333CS..  trans-111.6138.5171.6-67.2-167.182.100110.8L340 L341 L380 L384L340-M396 HydrophobicContact CD1-CB 3.97Å; L340-M396 HydrophobicContact CD1-CG 3.62Å; L340-M396 HydrophobicContact CD1-SD 3.99Å; L341-M396 PolarHBondContact O-N 3.1Å; L380-M396 HydrophobicContact CD1-CB 4.23Å; L380-M396 HydrophobicContact CD1-CE 3.49Å; L380-M396 VanDerWaalsContact CD1-CE 3.49Å; L380-M396 HydrophobicContact CD1-SD 3.91Å; L384-M396 HydrophobicContact CD1-SD 4.03Å; L384-M396 HydrophobicContact CD2-CE 3.93Å; L384-M396 HydrophobicContact CD2-SD 3.18Å; L384-M396 WeakPolarHBondContact CD2-SD 3.41Å; L384-M396 HydrophobicContact CG-CE 4.09Å; L384-M396 HydrophobicContact CG-SD 3.61Å
397L79.9Confident77.4Confident114 Ų11459.1 Ų59.160%0.59731%0.312SS*.PPolyproline II helixtrans-82.7137.4171-62.1177.4000108.8M498L397-M498 HydrophobicContact CD1-CE 4.46Å
398L88.1Confident78Confident18 Ų1857.7 Ų57.79%0.09431%0.305CS..PPolyproline II helixtrans-70.4150.1169.1-71.9167.6000109.5L180 I342 I346 R376 L377 L380 Q400L180-L398 HydrophobicContact CD2-CD1 3.77Å; I342-L398 HydrophobicContact CG2-CD1 3.7Å; I342-L398 HydrophobicContact CG2-CD2 3.91Å; I342-L398 HydrophobicContact CG2-CG 3.56Å; I346-L398 HydrophobicContact CD1-CD1 3.8Å; R376-L398 HydrophobicContact CB-CB 4.26Å; R376-L398 HydrophobicContact CB-CD2 3.89Å; R376-L398 HydrophobicContact CB-CG 4.47Å; L377-L398 HydrophobicContact CD2-CD2 3.9Å; L380-L398 HydrophobicContact CD2-CD2 3.98Å; L398-Q400 PolarHBondContact O-N 2.74Å
399P91.5Very high79.4Confident3 Ų355.1 Ų55.12%0.01929%0.287CS..PPolyproline II helixtrans-47.6129.7167.2-30.137000111.3R376 L379 K418 F419R376-P399 WeakPolarHBondContact CD-O 3.24Å; R376-P399 PolarHBondContact NH1-O 3.17Å; L379-P399 HydrophobicContact CB-CG 3.95Å; L379-P399 HydrophobicContact CD1-CB 4.42Å; L379-P399 HydrophobicContact CD1-CG 4.43Å; P399-K418 CarbonylContact C-O 3.51Å; P399-K418 WeakPolarHBondContact CA-O 3.5Å; P399-F419 HydrophobicContact CG-CD1 3.85Å; P399-F419 HydrophobicContact CG-CE1 3.52Å; P399-F419 HydrophobicContact CG-CE2 4.46Å; P399-F419 HydrophobicContact CG-CG 4.45Å; P399-F419 HydrophobicContact CG-CZ 3.89Å
400Q92.6Very high80.9Confident53 Ų5354.8 Ų54.825%0.24828%0.278CS..EExtended strand (participates in β ladder)trans-71.9133.3-178.1-173.8-175.23400109.3L398 V402 Y417 K418 T479 E482L398-Q400 PolarHBondContact O-N 2.74Å; Q400-V402 PolarHBondContact O-N 2.7Å; Q400-Y417 CarbonylContact O-C 3.54Å; Q400-Y417 WeakPolarHBondContact O-CA 3.46Å; Q400-K418 PolarHBondContact N-O 3.05Å; Q400-K418 PolarHBondContact O-N 3.37Å; Q400-T479 PolarHBondContact NE2-O 3Å; Q400-E482 HydrophobicContact CG-CB 4.45Å; Q400-E482 HydrophobicContact CG-CG 4.39Å
401R95.2Very high82.7Confident0 Ų049.6 Ų49.60%026%0.257CS..EExtended strand (participates in β ladder)trans-77.3120.6172.4-176.3178.6-168.9166.98.6110.2P347 D368 S415 D416 Y417 L481 E482P347-R401 HydrophobicContact CG-CB 4.13Å; P347-R401 PolarHBondContact O-NH1 3.31Å; D368-R401 IonicContact OD1-CZ 2.86Å; D368-R401 IonicContact OD1-NH1 3.74Å; D368-R401 IonicContact OD1-NH2 3.18Å; D368-R401 PolarHBondContact OD1-NH2 2.83Å; D368-R401 IonicContact OD2-CZ 3.24Å; D368-R401 IonicContact OD2-NH1 3.37Å; D368-R401 PolarHBondContact OD2-NH1 2.89Å; D368-R401 IonicContact OD2-NH2 3.02Å; D368-R401 PolarHBondContact OD2-NH2 3.24Å; R401-S415 PolarHBondContact NE-OG 3.46Å; R401-S415 PolarHBondContact NH2-OG 3.35Å; R401-D416 WeakPolarHBondContact CA-O 3.27Å; R401-Y417 HydrophobicContact CB-CD1 4.04Å; R401-Y417 HydrophobicContact CB-CE1 3.88Å; R401-Y417 HydrophobicContact CG-CD1 4.44Å; R401-Y417 HydrophobicContact CG-CE1 3.98Å; R401-L481 HydrophobicContact CG-CD1 4.47Å; R401-E482 WeakPolarHBondContact CB-OE1 3.46Å; R401-E482 PolarHBondContact N-OE1 3.09Å
402V94.2Very high84.5Confident1 Ų146.1 Ų46.11%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-99.7127.6174.3-1760000108.1Q400 S415 D416 K418 L477 T479Q400-V402 PolarHBondContact O-N 2.7Å; V402-S415 CarbonylContact O-C 3.14Å; V402-S415 WeakPolarHBondContact O-CA 3.29Å; V402-S415 WeakPolarHBondContact O-CB 3.42Å; V402-D416 PolarHBondContact N-O 2.98Å; V402-D416 PolarHBondContact O-N 2.98Å; V402-K418 HydrophobicContact CG2-CB 3.51Å; V402-K418 HydrophobicContact CG2-CD 4.21Å; V402-K418 HydrophobicContact CG2-CG 4.42Å; V402-L477 HydrophobicContact CG1-CB 3.91Å; V402-L477 HydrophobicContact CG1-CD2 4.15Å; V402-L477 HydrophobicContact CG1-CG 4.43Å; V402-T479 HydrophobicContact CG1-CG2 4.11Å; V402-T479 HydrophobicContact CG2-CG2 4.12Å
403L94.8Very high86.5Confident1 Ų137.5 Ų37.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-77.5136.5173.3-174.666.6000109.6P285 F287 I349 P413 L414 L477 D478 L481P285-L403 HydrophobicContact CG-CD1 4.45Å; P285-L403 HydrophobicContact CG-CD2 3.34Å; P285-L403 HydrophobicContact CG-CG 4.24Å; F287-L403 HydrophobicContact CE2-CD2 3.93Å; F287-L403 HydrophobicContact CZ-CD1 4.31Å; F287-L403 HydrophobicContact CZ-CD2 4.11Å; I349-L403 HydrophobicContact CD1-CD1 3.89Å; L403-P413 HydrophobicContact CD1-CB 3.79Å; L403-L414 WeakPolarHBondContact CD1-O 3.35Å; L403-L477 CarbonylContact O-C 3.59Å; L403-L477 WeakPolarHBondContact O-CA 3.38Å; L403-D478 HydrophobicContact CB-CB 4.03Å; L403-D478 WeakPolarHBondContact CB-O 3.41Å; L403-D478 HydrophobicContact CD2-CB 4.19Å; L403-D478 PolarHBondContact N-O 3.41Å; L403-D478 PolarHBondContact O-N 3.4Å; L403-L481 HydrophobicContact CB-CD1 3.76Å; L403-L481 HydrophobicContact CB-CG 4.17Å; L403-L481 HydrophobicContact CD1-CD1 4.33Å; L403-L481 HydrophobicContact CD2-CD2 4.37Å; L403-L481 HydrophobicContact CG-CD1 4.48Å
404V93.9Very high88.4Confident0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-124.9125.6-175.4179.80000109.4L406 L414 D416 L431 C476 L477V404-L406 HydrophobicContact CG1-CD2 3.93Å; V404-L406 HydrophobicContact CG1-CG 4.21Å; V404-L414 HydrophobicContact CB-CB 4.15Å; V404-L414 PolarHBondContact N-O 2.62Å; V404-L414 PolarHBondContact O-N 3.2Å; V404-L414 VanDerWaalsContact O-N 3.11Å; V404-D416 HydrophobicContact CG2-CB 4.29Å; V404-L431 HydrophobicContact CB-CD1 4.32Å; V404-L431 HydrophobicContact CG1-CD1 3.49Å; V404-L431 VanDerWaalsContact CG1-CD1 3.49Å; V404-L431 HydrophobicContact CG1-CD2 3.99Å; V404-L431 HydrophobicContact CG1-CG 4.37Å; V404-L431 HydrophobicContact CG2-CD1 3.82Å; V404-L431 HydrophobicContact CG2-CD2 4.07Å; V404-C476 WeakPolarHBondContact CA-O 3.29Å; V404-L477 HydrophobicContact CG2-CD2 3.93Å
405R89.9Confident90Very high38 Ų3830.6 Ų30.614%0.14316%0.156CC..  trans-116.997.2174.8-62.3-165.4-54.7167.814.4110.1S282 V283 S284 C476S282-R405 VanDerWaalsContact O-CZ 3.23Å; S282-R405 PolarHBondContact O-NH1 3.43Å; S282-R405 PolarHBondContact O-NH2 3.3Å; V283-R405 VanDerWaalsContact CB-NH2 3.26Å; V283-R405 VanDerWaalsContact CG1-NH2 3.35Å; V283-R405 VanDerWaalsContact CG2-NH2 3.34Å; V283-R405 PolarHBondContact O-NE 2.82Å; V283-R405 VanDerWaalsContact O-NE 3.07Å; V283-R405 PolarHBondContact O-NH1 3.36Å; V283-R405 VanDerWaalsContact O-NH1 3.15Å; V283-R405 PolarHBondContact O-NH2 2.96Å; S284-R405 PolarHBondContact O-NH1 2.95Å; R405-C476 PolarHBondContact N-O 3.18Å; R405-C476 WeakPolarHBondContact O-CB 3.37Å
406L91.5Very high91.1Very high1 Ų122 Ų221%0.00512%0.123CC..  trans-70.2132.6178.9-65.7-178.5000110.4L39 V404 A408 C409 P410 L414 I472L39-L406 HydrophobicContact CD2-CD1 3.65Å; V404-L406 HydrophobicContact CG1-CD2 3.93Å; V404-L406 HydrophobicContact CG1-CG 4.21Å; L406-A408 PolarHBondContact O-N 3.41Å; L406-A408 VanDerWaalsContact O-N 3.1Å; L406-C409 CarbonylContact O-C 3.26Å; L406-C409 PolarHBondContact O-N 3.39Å; L406-P410 WeakPolarHBondContact O-CA 3.27Å; L406-P410 VanDerWaalsContact O-N 3.12Å; L406-L414 HydrophobicContact CD1-CD1 3.49Å; L406-L414 VanDerWaalsContact CD1-CD1 3.49Å; L406-L414 HydrophobicContact CG-CD1 4Å; L406-I472 HydrophobicContact CD2-CD1 3.71Å; L406-I472 HydrophobicContact CD2-CG1 3.97Å; L406-I472 HydrophobicContact CD2-CG2 4.38Å
407P89.7Confident92Very high43 Ų4320.9 Ų20.928%0.27912%0.118SC..THydrogen-bonded Turntrans-59.5-27.1178.9-2331.1000113.8C409 S469 R471P407-C409 VanDerWaalsContact C-N 3.28Å; P407-C409 PolarHBondContact O-N 2.86Å; P407-S469 WeakPolarHBondContact CB-O 3.5Å; P407-R471 WeakPolarHBondContact CG-O 3.28Å
408A89.6Confident92.5Very high13 Ų1316.9 Ų16.911%0.10710%0.095CC..THydrogen-bonded Turntrans-67.3-23.2176.800000114.5R14 L39 L406 P437R14-A408 PolarHBondContact NH1-O 3.3Å; L39-A408 HydrophobicContact CD1-CB 3.74Å; L406-A408 PolarHBondContact O-N 3.41Å; L406-A408 VanDerWaalsContact O-N 3.1Å; A408-P437 HydrophobicContact CB-CB 3.82Å; A408-P437 HydrophobicContact CB-CG 3.46Å; A408-P437 VanDerWaalsContact CB-CG 3.46Å
409C91Very high92.6Very high12 Ų1217.8 Ų17.88%0.08110%0.099CC..SBendtrans-15773.5177.2-168.60000110.3L39 L406 P407 T411 L412L39-C409 HydrophobicContact CD1-CB 4.13Å; L406-C409 CarbonylContact O-C 3.26Å; L406-C409 PolarHBondContact O-N 3.39Å; P407-C409 VanDerWaalsContact C-N 3.28Å; P407-C409 PolarHBondContact O-N 2.86Å; C409-T411 PolarHBondContact O-N 3.27Å; C409-L412 PolarHBondContact O-N 3.5Å
410P89.8Confident92.2Very high75 Ų7522.8 Ų22.849%0.48713%0.125SC..THydrogen-bonded Turntrans-70-16.5-168.227.2-35.7000114.1L406L406-P410 WeakPolarHBondContact O-CA 3.27Å; L406-P410 VanDerWaalsContact O-N 3.12Å
411T91.2Very high91.8Very high59 Ų5925.1 Ų25.136%0.36215%0.147SC..THydrogen-bonded Turntrans-78.9-21.5177.949.30000113.3I168 F351 C409 P413I168-T411 HydrophobicContact CG1-CG2 4.37Å; I168-T411 WeakPolarHBondContact CG1-OG1 3.48Å; F351-T411 WeakPolarHBondContact CE2-O 3.32Å; C409-T411 PolarHBondContact O-N 3.27Å; T411-P413 VanDerWaalsContact O-CD 3.29Å; T411-P413 WeakPolarHBondContact O-CD 3.35Å
412L94.4Very high91.6Very high1 Ų127 Ų271%0.00516%0.155CC..SBendtrans-84.7112.7179.2177.365.2000109.2I27 F38 P82 V85 F351 C409 L414I27-L412 HydrophobicContact CG2-CD2 4.13Å; F38-L412 HydrophobicContact CB-CD2 4.02Å; F38-L412 HydrophobicContact CD2-CD1 4.28Å; F38-L412 HydrophobicContact CD2-CD2 4.43Å; P82-L412 HydrophobicContact CG-CD1 4.26Å; V85-L412 HydrophobicContact CG1-CD1 4.32Å; V85-L412 HydrophobicContact CG2-CD1 3.88Å; F351-L412 HydrophobicContact CD1-CD1 3.58Å; F351-L412 HydrophobicContact CE1-CD1 3.95Å; F351-L412 HydrophobicContact CG-CD1 4.25Å; C409-L412 PolarHBondContact O-N 3.5Å; L412-L414 HydrophobicContact CD2-CD2 3.82Å; L412-L414 HydrophobicContact CD2-CG 4.14Å; L412-L414 HydrophobicContact CG-CD2 3.96Å; L412-L414 HydrophobicContact CG-CG 4.12Å; L412-L414 PolarHBondContact O-N 2.96Å
413P94.4Very high91.5Very high1 Ų130.3 Ų30.31%0.00618%0.176CC..  trans-80.388.4-179.132.7-34.3000109.9P82 I349 F351 L403 T411P82-P413 HydrophobicContact CB-CG 4.41Å; P82-P413 WeakPolarHBondContact CD-O 3.46Å; P82-P413 HydrophobicContact CG-CG 4.16Å; P82-P413 WeakPolarHBondContact CG-O 3.42Å; I349-P413 HydrophobicContact CG2-CB 4.13Å; I349-P413 HydrophobicContact CG2-CG 3.82Å; F351-P413 HydrophobicContact CB-CG 4.26Å; F351-P413 HydrophobicContact CD2-CG 4.5Å; L403-P413 HydrophobicContact CD1-CB 3.79Å; T411-P413 VanDerWaalsContact O-CD 3.29Å; T411-P413 WeakPolarHBondContact O-CD 3.35Å
414L95.5Very high91.4Very high2 Ų232.4 Ų32.41%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-76.4170.2171.1-64.2179.5000110.1L39 M80 I81 L403 V404 L406 L412L39-L414 HydrophobicContact CD2-CD1 4.46Å; M80-L414 CarbonylContact O-C 3.59Å; M80-L414 WeakPolarHBondContact O-CA 3.47Å; I81-L414 HydrophobicContact CG2-CD2 3.95Å; L403-L414 WeakPolarHBondContact CD1-O 3.35Å; V404-L414 HydrophobicContact CB-CB 4.15Å; V404-L414 PolarHBondContact N-O 2.62Å; V404-L414 PolarHBondContact O-N 3.2Å; V404-L414 VanDerWaalsContact O-N 3.11Å; L406-L414 HydrophobicContact CD1-CD1 3.49Å; L406-L414 VanDerWaalsContact CD1-CD1 3.49Å; L406-L414 HydrophobicContact CG-CD1 4Å; L412-L414 HydrophobicContact CD2-CD2 3.82Å; L412-L414 HydrophobicContact CD2-CG 4.14Å; L412-L414 HydrophobicContact CG-CD2 3.96Å; L412-L414 HydrophobicContact CG-CG 4.12Å; L412-L414 PolarHBondContact O-N 2.96Å
415S95.1Very high91.4Very high0 Ų037 Ų370%022%0.215CC..EExtended strand (participates in β ladder)trans-142.5164176.4-56.30000111.7M80 R401 V402M80-S415 VanDerWaalsContact CA-O 3.23Å; M80-S415 WeakPolarHBondContact CA-O 3.28Å; M80-S415 WeakPolarHBondContact CB-O 3.47Å; M80-S415 WeakPolarHBondContact CE-O 3.15Å; M80-S415 WeakPolarHBondContact CG-O 3.11Å; M80-S415 PolarHBondContact O-N 3.05Å; R401-S415 PolarHBondContact NE-OG 3.46Å; R401-S415 PolarHBondContact NH2-OG 3.35Å; V402-S415 CarbonylContact O-C 3.14Å; V402-S415 WeakPolarHBondContact O-CA 3.29Å; V402-S415 WeakPolarHBondContact O-CB 3.42Å
416D94.9Very high91.6Very high1 Ų138.3 Ų38.31%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-140173.2163.2-16720.5000109.1R79 R401 V402 V404 V427 R430 L431R79-D416 IonicContact CZ-OD1 2.6Å; R79-D416 IonicContact NH2-OD1 2.74Å; R401-D416 WeakPolarHBondContact CA-O 3.27Å; V402-D416 PolarHBondContact N-O 2.98Å; V402-D416 PolarHBondContact O-N 2.98Å; V404-D416 HydrophobicContact CG2-CB 4.29Å; D416-V427 HydrophobicContact CB-CG1 4.19Å; D416-R430 IonicContact OD1-NE 2.76Å; D416-R430 PolarHBondContact OD1-NE 2.99Å; D416-R430 IonicContact OD1-NH2 3.7Å; D416-R430 IonicContact OD2-CZ 3.71Å; D416-R430 IonicContact OD2-NE 2.7Å; D416-R430 PolarHBondContact OD2-NE 3.06Å; D416-R430 IonicContact OD2-NH2 3.78Å; D416-R430 PolarHBondContact OD2-NH2 3.29Å; D416-L431 HydrophobicContact CB-CD2 4.42Å
417Y94.3Very high91.7Very high3 Ų338.2 Ų38.21%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-119.2127177.7-57.1-81.5000109.7R79 S372 A375 R376 L379 Q400 R401 R430R79-Y417 HydrophobicContact CB-CE2 4.17Å; R79-Y417 HydrophobicContact CG-CE2 4.21Å; R79-Y417 WeakPolarHBondContact O-CE2 3.41Å; R79-Y417 PolarHBondContact O-OH 3.32Å; S372-Y417 WeakPolarHBondContact CA-OH 3.11Å; S372-Y417 WeakPolarHBondContact CB-OH 3.19Å; A375-Y417 HydrophobicContact CB-CD2 4.46Å; A375-Y417 HydrophobicContact CB-CE2 3.93Å; R376-Y417 HydrophobicContact CG-CD1 3.52Å; R376-Y417 HydrophobicContact CG-CE1 3.73Å; R376-Y417 HydrophobicContact CG-CG 4.24Å; L379-Y417 HydrophobicContact CD1-CD2 4.11Å; L379-Y417 HydrophobicContact CD1-CG 4.05Å; Q400-Y417 CarbonylContact O-C 3.54Å; Q400-Y417 WeakPolarHBondContact O-CA 3.46Å; R401-Y417 HydrophobicContact CB-CD1 4.04Å; R401-Y417 HydrophobicContact CB-CE1 3.88Å; R401-Y417 HydrophobicContact CG-CD1 4.44Å; R401-Y417 HydrophobicContact CG-CE1 3.98Å; Y417-R430 PolarHBondContact O-NH2 3.04Å; Y417-R430 VanDerWaalsContact O-NH2 3.11Å
418K92.2Very high91.9Very high29 Ų2936.4 Ų36.413%0.12621%0.212CC..EExtended strand (participates in β ladder)trans-114128-174-174.4-161171.4-153.60109.3P399 Q400 V402 E422 V427P399-K418 CarbonylContact C-O 3.51Å; P399-K418 WeakPolarHBondContact CA-O 3.5Å; Q400-K418 PolarHBondContact N-O 3.05Å; Q400-K418 PolarHBondContact O-N 3.37Å; V402-K418 HydrophobicContact CG2-CB 3.51Å; V402-K418 HydrophobicContact CG2-CD 4.21Å; V402-K418 HydrophobicContact CG2-CG 4.42Å; K418-E422 VanDerWaalsContact CA-OE2 3.27Å; K418-E422 WeakPolarHBondContact CA-OE2 3.22Å; K418-E422 VanDerWaalsContact CE-C 3.42Å; K418-E422 WeakPolarHBondContact CE-O 3.49Å; K418-E422 HydrophobicContact CG-CB 3.84Å; K418-E422 PolarHBondContact NZ-O 3.44Å; K418-V427 HydrophobicContact CB-CG2 3.9Å; K418-V427 HydrophobicContact CD-CG2 4.06Å; K418-V427 HydrophobicContact CG-CG2 3.68Å
419F89.4Confident92.1Very high38 Ų3840 Ų4017%0.16723%0.229CC..  trans-74.8158.1168.6-67.5-89.8000110.7L379 E383 P399 S421 E422L379-F419 HydrophobicContact CB-CE2 4.35Å; L379-F419 HydrophobicContact CB-CZ 3.78Å; E383-F419 HydrophobicContact CB-CE1 3.98Å; E383-F419 HydrophobicContact CB-CZ 4.49Å; E383-F419 HydrophobicContact CG-CE1 4.45Å; E383-F419 VanDerWaalsContact OE2-CD1 3.22Å; E383-F419 WeakPolarHBondContact OE2-CD1 3.41Å; E383-F419 WeakPolarHBondContact OE2-CE1 3.33Å; P399-F419 HydrophobicContact CG-CD1 3.85Å; P399-F419 HydrophobicContact CG-CE1 3.52Å; P399-F419 HydrophobicContact CG-CE2 4.46Å; P399-F419 HydrophobicContact CG-CG 4.45Å; P399-F419 HydrophobicContact CG-CZ 3.89Å; F419-S421 PolarHBondContact O-N 2.74Å; F419-E422 HydrophobicContact CB-CG 4.16Å; F419-E422 PolarHBondContact N-OE2 2.54Å; F419-E422 PolarHBondContact O-N 2.9Å
420L83.7Confident92.1Very high108 Ų10841.3 Ų41.357%0.56523%0.233SC*.THydrogen-bonded Turntrans-57.9-35.4177.5-177.966.3000112.1E422 M498L420-E422 VanDerWaalsContact C-N 3.29Å; L420-E422 PolarHBondContact O-N 2.7Å; L420-M498 HydrophobicContact CD1-CE 4.07Å; L420-M498 HydrophobicContact CD2-CE 3.3Å; L420-M498 HydrophobicContact CG-CE 4.33Å
421S84.5Confident92.3Very high101 Ų10137.8 Ų37.871%0.70621%0.21SC*.THydrogen-bonded Turntrans-74.6-14.1179.3540000114.4F419F419-S421 PolarHBondContact O-N 2.74Å
422E89.9Confident92.3Very high39 Ų3937 Ų3718%0.18221%0.205CC..  trans-82.3152.5-180-71.8-177.6130.200111.3K418 F419 L420 D426 R430K418-E422 VanDerWaalsContact CA-OE2 3.27Å; K418-E422 WeakPolarHBondContact CA-OE2 3.22Å; K418-E422 VanDerWaalsContact CE-C 3.42Å; K418-E422 WeakPolarHBondContact CE-O 3.49Å; K418-E422 HydrophobicContact CG-CB 3.84Å; K418-E422 PolarHBondContact NZ-O 3.44Å; F419-E422 HydrophobicContact CB-CG 4.16Å; F419-E422 PolarHBondContact N-OE2 2.54Å; F419-E422 PolarHBondContact O-N 2.9Å; L420-E422 VanDerWaalsContact C-N 3.29Å; L420-E422 PolarHBondContact O-N 2.7Å; E422-D426 HydrophobicContact CB-CB 4.14Å; E422-D426 HydrophobicContact CG-CB 4.32Å; E422-R430 IonicContact OE1-CZ 3.66Å; E422-R430 IonicContact OE1-NH1 3.1Å; E422-R430 PolarHBondContact OE1-NH1 3.23Å; E422-R430 IonicContact OE1-NH2 3.47Å; E422-R430 IonicContact OE2-NH1 2.87Å; E422-R430 IonicContact OE2-NH2 2.69Å
423T92.8Very high92Very high72 Ų7240.8 Ų40.844%0.44222%0.22SC..  trans-93.5170.317168.80000110.8E425 D426T423-E425 PolarHBondContact O-N 3.22Å; T423-E425 PolarHBondContact OG1-N 3.47Å; T423-D426 WeakPolarHBondContact CB-OD2 3.38Å; T423-D426 PolarHBondContact N-OD2 3.45Å; T423-D426 PolarHBondContact O-N 3.07Å; T423-D426 VanDerWaalsContact OG1-CG 3.3Å; T423-D426 PolarHBondContact OG1-N 3.22Å; T423-D426 PolarHBondContact OG1-OD2 2.81Å
424A92.5Very high91.8Very high44 Ų4442.5 Ų42.536%0.36423%0.227SC..Hα-helixtrans-61.6-32.7170.200000111.9V427 V428 A474 L477A424-V427 WeakPolarHBondContact O-CB 2.91Å; A424-V427 PolarHBondContact O-N 2.96Å; A424-V428 WeakPolarHBondContact O-CG2 3.41Å; A424-V428 PolarHBondContact O-N 3.28Å; A424-A474 HydrophobicContact CB-CB 4.19Å; A424-L477 HydrophobicContact CB-CD1 4.11Å; A424-L477 WeakPolarHBondContact O-CD1 3.08Å
425E93.4Very high91.7Very high97 Ų9742.4 Ų42.445%0.45323%0.227SC..Hα-helixtrans-69.3-34.1-180-168.861.3-164.900111.9T423 V427 V428 N429T423-E425 PolarHBondContact O-N 3.22Å; T423-E425 PolarHBondContact OG1-N 3.47Å; E425-V427 VanDerWaalsContact C-N 3.3Å; E425-V427 PolarHBondContact O-N 3.06Å; E425-V428 PolarHBondContact O-N 3.39Å; E425-N429 WeakPolarHBondContact O-CB 3.27Å; E425-N429 VanDerWaalsContact O-CG 3.31Å; E425-N429 PolarHBondContact O-N 3.25Å; E425-N429 PolarHBondContact O-ND2 3.48Å; E425-N429 VanDerWaalsContact O-ND2 3.15Å
426D94.1Very high91.6Very high65 Ų6543.4 Ų43.435%0.34823%0.232SC..Hα-helixtrans-61.5-40.9174-61.7-51.4000111.4E422 T423 R430E422-D426 HydrophobicContact CB-CB 4.14Å; E422-D426 HydrophobicContact CG-CB 4.32Å; T423-D426 WeakPolarHBondContact CB-OD2 3.38Å; T423-D426 PolarHBondContact N-OD2 3.45Å; T423-D426 PolarHBondContact O-N 3.07Å; T423-D426 VanDerWaalsContact OG1-CG 3.3Å; T423-D426 PolarHBondContact OG1-N 3.22Å; T423-D426 PolarHBondContact OG1-OD2 2.81Å; D426-R430 WeakPolarHBondContact O-CB 3.23Å; D426-R430 PolarHBondContact O-N 2.76Å; D426-R430 VanDerWaalsContact O-N 3.09Å
427V93.6Very high91.5Very high0 Ų043.6 Ų43.60%023%0.233CC..Hα-helixtrans-63.1-48173.2-178.20000110.3D416 K418 A424 E425 N429 R430 L431 L477D416-V427 HydrophobicContact CB-CG1 4.19Å; K418-V427 HydrophobicContact CB-CG2 3.9Å; K418-V427 HydrophobicContact CD-CG2 4.06Å; K418-V427 HydrophobicContact CG-CG2 3.68Å; A424-V427 WeakPolarHBondContact O-CB 2.91Å; A424-V427 PolarHBondContact O-N 2.96Å; E425-V427 VanDerWaalsContact C-N 3.3Å; E425-V427 PolarHBondContact O-N 3.06Å; V427-N429 PolarHBondContact O-N 2.94Å; V427-R430 PolarHBondContact O-N 3.46Å; V427-L431 HydrophobicContact CG1-CD1 4.19Å; V427-L431 HydrophobicContact CG1-CG 4.41Å; V427-L431 VanDerWaalsContact O-CG 3.29Å; V427-L431 WeakPolarHBondContact O-CG 3.26Å; V427-L431 PolarHBondContact O-N 2.88Å; V427-L477 HydrophobicContact CB-CD1 3.86Å; V427-L477 HydrophobicContact CG1-CD1 3.86Å; V427-L477 HydrophobicContact CG1-CD2 3.77Å
428V94.2Very high91.3Very high5 Ų543.5 Ų43.53%0.0323%0.233CC..Hα-helixtrans-57.8-48.5178.1170.90000111.5A424 E425 R430 L431 V432 I472 D473 A474 L477A424-V428 WeakPolarHBondContact O-CG2 3.41Å; A424-V428 PolarHBondContact O-N 3.28Å; E425-V428 PolarHBondContact O-N 3.39Å; V428-R430 VanDerWaalsContact C-N 3.27Å; V428-R430 PolarHBondContact O-N 2.67Å; V428-L431 WeakPolarHBondContact O-CB 3.25Å; V428-L431 PolarHBondContact O-N 2.6Å; V428-L431 VanDerWaalsContact O-N 3.09Å; V428-V432 HydrophobicContact CG1-CG2 4.3Å; V428-V432 WeakPolarHBondContact O-CG2 3.47Å; V428-V432 PolarHBondContact O-N 3.37Å; V428-I472 HydrophobicContact CG1-CG2 4.4Å; V428-D473 VanDerWaalsContact CG2-C 3.41Å; V428-A474 HydrophobicContact CG2-CB 4.49Å; V428-L477 HydrophobicContact CG2-CD1 4.06Å
429N92.6Very high90.9Very high87 Ų8743.1 Ų43.147%0.46524%0.237SC..Hα-helixtrans-58.1-42.1178.8-75.7-36.9000111.5E425 V427 V432 Y433E425-N429 WeakPolarHBondContact O-CB 3.27Å; E425-N429 VanDerWaalsContact O-CG 3.31Å; E425-N429 PolarHBondContact O-N 3.25Å; E425-N429 PolarHBondContact O-ND2 3.48Å; E425-N429 VanDerWaalsContact O-ND2 3.15Å; V427-N429 PolarHBondContact O-N 2.94Å; N429-V432 PolarHBondContact O-N 3.44Å; N429-Y433 PolarHBondContact O-N 2.99Å
430R92.3Very high90.5Very high41 Ų4142.5 Ų42.516%0.15524%0.237CC..Hα-helixtrans-66.4-38.1176.4-170.7167.250.5-114.22.7112.4D416 Y417 E422 D426 V427 V428 Y433 F434D416-R430 IonicContact OD1-NE 2.76Å; D416-R430 PolarHBondContact OD1-NE 2.99Å; D416-R430 IonicContact OD1-NH2 3.7Å; D416-R430 IonicContact OD2-CZ 3.71Å; D416-R430 IonicContact OD2-NE 2.7Å; D416-R430 PolarHBondContact OD2-NE 3.06Å; D416-R430 IonicContact OD2-NH2 3.78Å; D416-R430 PolarHBondContact OD2-NH2 3.29Å; Y417-R430 PolarHBondContact O-NH2 3.04Å; Y417-R430 VanDerWaalsContact O-NH2 3.11Å; E422-R430 IonicContact OE1-CZ 3.66Å; E422-R430 IonicContact OE1-NH1 3.1Å; E422-R430 PolarHBondContact OE1-NH1 3.23Å; E422-R430 IonicContact OE1-NH2 3.47Å; E422-R430 IonicContact OE2-NH1 2.87Å; E422-R430 IonicContact OE2-NH2 2.69Å; D426-R430 WeakPolarHBondContact O-CB 3.23Å; D426-R430 PolarHBondContact O-N 2.76Å; D426-R430 VanDerWaalsContact O-N 3.09Å; V427-R430 PolarHBondContact O-N 3.46Å; V428-R430 VanDerWaalsContact C-N 3.27Å; V428-R430 PolarHBondContact O-N 2.67Å; R430-Y433 PolarHBondContact O-N 3.42Å; R430-F434 HydrophobicContact CG-CD2 3.63Å; R430-F434 HydrophobicContact CG-CE2 3.98Å; R430-F434 WeakPolarHBondContact O-CD2 3.48Å; R430-F434 PolarHBondContact O-N 3.11Å
431L92.9Very high89.3Confident1 Ų142.6 Ų42.61%0.00524%0.242CC..Hα-helixtrans-66.2-42.1173.9-67.5174.9000112.4M80 V404 D416 V427 V428 Y433 C435 L436 I472 L477M80-L431 HydrophobicContact CE-CD2 3.24Å; V404-L431 HydrophobicContact CB-CD1 4.32Å; V404-L431 HydrophobicContact CG1-CD1 3.49Å; V404-L431 VanDerWaalsContact CG1-CD1 3.49Å; V404-L431 HydrophobicContact CG1-CD2 3.99Å; V404-L431 HydrophobicContact CG1-CG 4.37Å; V404-L431 HydrophobicContact CG2-CD1 3.82Å; V404-L431 HydrophobicContact CG2-CD2 4.07Å; D416-L431 HydrophobicContact CB-CD2 4.42Å; V427-L431 HydrophobicContact CG1-CD1 4.19Å; V427-L431 HydrophobicContact CG1-CG 4.41Å; V427-L431 VanDerWaalsContact O-CG 3.29Å; V427-L431 WeakPolarHBondContact O-CG 3.26Å; V427-L431 PolarHBondContact O-N 2.88Å; V428-L431 WeakPolarHBondContact O-CB 3.25Å; V428-L431 PolarHBondContact O-N 2.6Å; V428-L431 VanDerWaalsContact O-N 3.09Å; L431-Y433 PolarHBondContact O-N 3.44Å; L431-C435 HydrophobicContact CD2-CB 4.37Å; L431-C435 CarbonylContact O-C 3.52Å; L431-C435 VanDerWaalsContact O-C 3.32Å; L431-C435 VanDerWaalsContact O-CA 3.28Å; L431-C435 WeakPolarHBondContact O-CA 3.45Å; L431-C435 WeakPolarHBondContact O-CB 3.26Å; L431-C435 PolarHBondContact O-N 2.87Å; L431-L436 PolarHBondContact O-N 2.85Å; L431-I472 HydrophobicContact CB-CG2 4.05Å; L431-I472 HydrophobicContact CD1-CG2 4.22Å; L431-L477 HydrophobicContact CD1-CD2 3.63Å
432V91.3Very high87.9Confident42 Ų4242.9 Ų42.926%0.25524%0.235SC..Hα-helixtrans-62.6-34175.5171.80000110.9V428 N429 L436 L442 I472V428-V432 HydrophobicContact CG1-CG2 4.3Å; V428-V432 WeakPolarHBondContact O-CG2 3.47Å; V428-V432 PolarHBondContact O-N 3.37Å; N429-V432 PolarHBondContact O-N 3.44Å; V432-L436 WeakPolarHBondContact O-CB 3.34Å; V432-L442 HydrophobicContact CG1-CD1 4.46Å; V432-L442 HydrophobicContact CG1-CD2 4.23Å; V432-I472 HydrophobicContact CG2-CB 4.08Å; V432-I472 HydrophobicContact CG2-CD1 4.49Å; V432-I472 HydrophobicContact CG2-CG2 4.4Å
433Y89.6Confident85.4Confident81 Ų8146.4 Ų46.432%0.31826%0.259SS..Hα-helixtrans-78.7-47.6177.8-172.3-95.3000113.4P44 K45 N429 R430 L431P44-Y433 HydrophobicContact CB-CD1 4.5Å; P44-Y433 HydrophobicContact CB-CE1 4.11Å; P44-Y433 HydrophobicContact CB-CE2 4.25Å; P44-Y433 HydrophobicContact CG-CE1 4.2Å; K45-Y433 PolarHBondContact O-OH 2.85Å; N429-Y433 PolarHBondContact O-N 2.99Å; R430-Y433 PolarHBondContact O-N 3.42Å; L431-Y433 PolarHBondContact O-N 3.44Å
434F90.2Very high82.6Confident37 Ų3749.2 Ų49.216%0.16227%0.27CS..Hα-helixtrans-99.5-15-171.7-69.5-67.6000115.3H73 N76 L77 R430H73-F434 PolarHBondContact CE1-O 3.25Å; H73-F434 AromaticContact ND1-CD1 3.84Å; N76-F434 HydrophobicContact CB-CD1 4.29Å; N76-F434 VanDerWaalsContact ND2-CE1 3.34Å; N76-F434 WeakPolarHBondContact ND2-CE1 3.13Å; L77-F434 VanDerWaalsContact CD2-O 3.27Å; L77-F434 WeakPolarHBondContact CD2-O 3.4Å; R430-F434 HydrophobicContact CG-CD2 3.63Å; R430-F434 HydrophobicContact CG-CE2 3.98Å; R430-F434 WeakPolarHBondContact O-CD2 3.48Å; R430-F434 PolarHBondContact O-N 3.11Å
435C92.8Very high79.5Confident0 Ų052.5 Ų52.50%029%0.288CS..  trans-136.129.5-169.6-148.20000112.7L77 M80 L431 P437L77-C435 HydrophobicContact CD2-CB 4.39Å; M80-C435 HydrophobicContact CE-CB 3.77Å; M80-C435 HydrophobicContact SD-CB 4.35Å; L431-C435 HydrophobicContact CD2-CB 4.37Å; L431-C435 CarbonylContact O-C 3.52Å; L431-C435 VanDerWaalsContact O-C 3.32Å; L431-C435 VanDerWaalsContact O-CA 3.28Å; L431-C435 WeakPolarHBondContact O-CA 3.45Å; L431-C435 WeakPolarHBondContact O-CB 3.26Å; L431-C435 PolarHBondContact O-N 2.87Å; C435-P437 WeakPolarHBondContact O-CD 3.46Å
436L92Very high76.5Confident20 Ų2053.7 Ų53.711%0.10530%0.302CS..PPolyproline II helixtrans-72122.6175.9-168.569000110.4I41 E42 L431 V432 L438 T440 L442 I472I41-L436 WeakPolarHBondContact CA-O 3.2Å; E42-L436 PolarHBondContact N-O 3.06Å; L431-L436 PolarHBondContact O-N 2.85Å; V432-L436 WeakPolarHBondContact O-CB 3.34Å; L436-L438 PolarHBondContact O-N 3.26Å; L436-T440 WeakPolarHBondContact CD1-OG1 3.18Å; L436-T440 WeakPolarHBondContact CG-OG1 3.36Å; L436-L442 HydrophobicContact CD1-CD2 4.14Å; L436-L442 HydrophobicContact CD1-CG 4.44Å; L436-L442 HydrophobicContact CD2-CD1 3.89Å; L436-L442 HydrophobicContact CD2-CG 4.2Å; L436-I472 HydrophobicContact CD1-CD1 4.38Å
437P92.6Very high73.5Confident5 Ų559.5 Ų59.53%0.03233%0.327CS..BIsolated β-bridgetrans-62.7132.7174.9-21.733.7000111.7L39 P40 A408 C435 G439 T440L39-P437 HydrophobicContact CD1-CB 3.96Å; L39-P437 HydrophobicContact CD1-CG 4.12Å; P40-P437 CarbonylContact O-C 3.5Å; P40-P437 VanDerWaalsContact O-CA 3.3Å; P40-P437 WeakPolarHBondContact O-CA 3.28Å; A408-P437 HydrophobicContact CB-CB 3.82Å; A408-P437 HydrophobicContact CB-CG 3.46Å; A408-P437 VanDerWaalsContact CB-CG 3.46Å; C435-P437 WeakPolarHBondContact O-CD 3.46Å; P437-G439 PolarHBondContact O-N 3.18Å; P437-T440 HydrophobicContact CB-CG2 3.95Å; P437-T440 HydrophobicContact CG-CG2 4.32Å; P437-T440 PolarHBondContact O-N 3.1Å; P437-T440 PolarHBondContact O-OG1 2.86Å
438L91.2Very high70.5Confident1 Ų168.1 Ų68.11%0.00537%0.367CS..THydrogen-bonded Turntrans-61.2133.8179.1-164.7145.7000110.3R14 L15 V18 R22 P40 E42 T93 L436R14-L438 WeakPolarHBondContact CB-O 3.23Å; L15-L438 HydrophobicContact CD2-CD2 3.56Å; L15-L438 HydrophobicContact CD2-CG 4.49Å; V18-L438 HydrophobicContact CG2-CD2 3.87Å; R22-L438 HydrophobicContact CB-CD1 4.02Å; R22-L438 HydrophobicContact CB-CD2 4.45Å; P40-L438 HydrophobicContact CB-CB 4.14Å; P40-L438 HydrophobicContact CG-CB 4.41Å; P40-L438 PolarHBondContact O-N 2.85Å; E42-L438 HydrophobicContact CB-CB 4.28Å; E42-L438 HydrophobicContact CB-CG 4.46Å; T93-L438 HydrophobicContact CG2-CD2 4.31Å; L436-L438 PolarHBondContact O-N 3.26Å
439G84.4Confident67.5Low22 Ų2279.1 Ų79.123%0.22741%0.408CS..THydrogen-bonded Turntrans91.7-1.1-178.700000115P437P437-G439 PolarHBondContact O-N 3.18Å
440T79.9Confident64.7Low24 Ų2482.4 Ų82.415%0.14742%0.424CS..  trans-78123.2170.456.50000110.9L436 P437 L442L436-T440 WeakPolarHBondContact CD1-OG1 3.18Å; L436-T440 WeakPolarHBondContact CG-OG1 3.36Å; P437-T440 HydrophobicContact CB-CG2 3.95Å; P437-T440 HydrophobicContact CG-CG2 4.32Å; P437-T440 PolarHBondContact O-N 3.1Å; P437-T440 PolarHBondContact O-OG1 2.86Å; T440-L442 PolarHBondContact O-N 2.66Å
441T59.3Low61.9Low111 Ų11186.5 Ų86.568%0.68145%0.454SS*.  trans-80.8112.2170.641.70000109.9T443T441-T443 PolarHBondContact O-N 2.88Å
442L54.3Low59.1Low106 Ų10691 Ų9156%0.55549%0.485SS*.  trans-69.2101.9171-73.2165.8000108.9V432 L436 T440 I444V432-L442 HydrophobicContact CG1-CD1 4.46Å; V432-L442 HydrophobicContact CG1-CD2 4.23Å; L436-L442 HydrophobicContact CD1-CD2 4.14Å; L436-L442 HydrophobicContact CD1-CG 4.44Å; L436-L442 HydrophobicContact CD2-CD1 3.89Å; L436-L442 HydrophobicContact CD2-CG 4.2Å; T440-L442 PolarHBondContact O-N 2.66Å; L442-I444 VanDerWaalsContact C-N 3.29Å; L442-I444 PolarHBondContact O-N 3.46Å
443T36.7Very low56.3Low113 Ų11395.6 Ų95.669%0.69351%0.509SS*.  trans-74.388.9162.952.80000107.8T441T441-T443 PolarHBondContact O-N 2.88Å
444I34.6Very low53.7Low131 Ų13197.1 Ų97.167%0.67253%0.527SS*.  trans-64127.9166.8-57.7171.4000106.5L442 T446L442-I444 VanDerWaalsContact C-N 3.29Å; L442-I444 PolarHBondContact O-N 3.46Å; I444-T446 VanDerWaalsContact C-N 3.34Å; I444-T446 PolarHBondContact O-N 3.06Å
445P28.2Very low50.9Low114 Ų114101.8 Ų101.874%0.7456%0.558SS**  trans-65.4101.1169.6-3.217.7000106.7E447P445-E447 PolarHBondContact O-N 3.24Å
446T30.1Very low48Very low122 Ų122105.1 Ų105.175%0.74859%0.592SS**  trans-75.3116.4168.1-48.30000105.4I444 E448I444-T446 VanDerWaalsContact C-N 3.34Å; I444-T446 PolarHBondContact O-N 3.06Å; T446-E448 PolarHBondContact O-N 3.29Å
447E30.9Very low45.2Very low186 Ų186112.9 Ų112.987%0.86963%0.633SS**  trans-47.7114.1171.5-69.5-177152.200109P445 R449P445-E447 PolarHBondContact O-N 3.24Å; E447-R449 PolarHBondContact O-N 3.49Å
448E30.6Very low42.2Very low181 Ų181121.3 Ų121.385%0.84667%0.669SS**  trans-62.1100.4177.5-75.7-175153.800109T446 I450T446-E448 PolarHBondContact O-N 3.29Å; E448-I450 VanDerWaalsContact C-N 3.3Å; E448-I450 PolarHBondContact O-N 3.34Å
449R31.8Very low39.2Very low236 Ų236128.6 Ų128.689%0.89171%0.708SS**  trans-68.995.3163.4-155.5177.9-164.4-179.35107.6E447 T451E447-R449 PolarHBondContact O-N 3.49Å; R449-T451 PolarHBondContact O-N 3.32Å
450I32.6Very low36.7Very low156 Ų156130.9 Ų130.980%0.872%0.721SS**  trans-47.7109.4170.9-61.5164.7000109.5E448E448-I450 VanDerWaalsContact C-N 3.3Å; E448-I450 PolarHBondContact O-N 3.34Å
451T35Very low34.5Very low128 Ų128136.3 Ų136.379%0.78575%0.753SS**  trans-137.8110.9151.149.50000109.5R449R449-T451 PolarHBondContact O-N 3.32Å
452S32.4Very low33.3Very low94 Ų94135.4 Ų135.466%0.65775%0.752SS**  trans-45131.7171.551.50000114.2
453N34Very low32.2Very low140 Ų140136.4 Ų136.475%0.74975%0.754SS**  173.1109.9113.5-84.6-18.2000112.7
454T34Very low31.9Very low113 Ų113137.4 Ų137.469%0.69375%0.754SS**  76.8118.8125.7-36.80000119.9
455T32.6Very low31.5Very low134 Ų134139 Ų13982%0.82276%0.758SS**  trans79.196148.450.10000120
456G30.5Very low31.6Very low70 Ų70138.4 Ų138.472%0.72275%0.752SS**  105.295.4126.300000116
457L33.4Very low31.8Very low183 Ų183139.5 Ų139.596%0.95875%0.747SS**  trans-162.9133.4130.8-131.271000110.7
458K30.3Very low32.1Very low182 Ų182134.6 Ų134.679%0.79173%0.733SS**  trans-85147.8175.9-72.5173.2170.8176.60109.4
459N28Very low33.2Very low154 Ų154129 Ų12982%0.82471%0.714SS**  trans77.698.7151.7-56.4-12.2000119.7
460S31Very low34.9Very low70 Ų70122.5 Ų122.549%0.4969%0.694SS.*  trans-168.478.8136.555.70000112S462S460-S462 PolarHBondContact O-N 2.74Å
461V33.4Very low37.3Very low138 Ų138123.2 Ų123.284%0.83669%0.686SS**THydrogen-bonded Turntrans-81.73.2175.51800000112.2
462S35.5Very low39.8Very low93 Ų93117.8 Ų117.865%0.6565%0.652SS**THydrogen-bonded Turntrans-99.7-5.9-17754.10000115.7S460S460-S462 PolarHBondContact O-N 2.74Å
463E31.3Very low42.7Very low126 Ų126115.6 Ų115.659%0.58963%0.633SS**SBendtrans-93.4-15.1-179.2-76.6177.9154.900113.5F467E463-F467 WeakPolarHBondContact O-CD2 3.23Å
464I30.2Very low45.4Very low135 Ų135111.2 Ų111.269%0.69262%0.616SS**Hα-helixtrans-77.7-24.6-175.7-62.6174000112.2
465E26.7Very low48.1Very low164 Ų164109.5 Ų109.577%0.76661%0.609SS**Hα-helixtrans-77.6-18.9179.5-77.4-171.6154.800114.4S468E465-S468 PolarHBondContact O-OG 2.87Å
466V29.5Very low50.8Low102 Ų102103.5 Ų103.562%0.61857%0.573SS**Hα-helixtrans-83.1-29.7-177-176.40000111.8S469V466-S469 PolarHBondContact O-OG 2.67Å
467F33.9Very low53.8Low144 Ų144101.3 Ų101.363%0.63254%0.544SS*.Hα-helixtrans-85.6-15.3-175.6-77-78.9000115.2E463 S469E463-F467 WeakPolarHBondContact O-CD2 3.23Å; F467-S469 VanDerWaalsContact C-N 3.27Å; F467-S469 PolarHBondContact O-N 3.45Å
468S37.8Very low56.5Low84 Ų8493.5 Ų93.559%0.58750%0.503SS*.G310 helixtrans-72.3-19.9177.264.40000113.4E465 H470 R471E465-S468 PolarHBondContact O-OG 2.87Å; S468-H470 PolarHBondContact O-N 2.81Å; S468-H470 VanDerWaalsContact O-N 3.12Å; S468-R471 PolarHBondContact O-N 2.92Å
469S54.4Low59.2Low64 Ų6487.3 Ų87.345%0.44848%0.481SS..G310 helixtrans-73.4-4-168.371.90000116P407 V466 F467P407-S469 WeakPolarHBondContact CB-O 3.5Å; V466-S469 PolarHBondContact O-OG 2.67Å; F467-S469 VanDerWaalsContact C-N 3.27Å; F467-S469 PolarHBondContact O-N 3.45Å
470H67.1Low61.9Low99 Ų9983.7 Ų83.746%0.45846%0.464SS..G310 helixtrans-118.34-177.9-66.5-38.8000114.6S468 I472S468-H470 PolarHBondContact O-N 2.81Å; S468-H470 VanDerWaalsContact O-N 3.12Å; H470-I472 PolarHBondContact O-N 3.45Å
471R82.5Confident64.3Low171 Ų17181.3 Ų81.365%0.64545%0.446SS*.  trans-69.8129.2178.4-172.9178.1177.7178.4-2.5110.3P407 S468P407-R471 WeakPolarHBondContact CG-O 3.28Å; S468-R471 PolarHBondContact O-N 2.92Å
472I88.5Confident66.5Low13 Ų1376.5 Ų76.57%0.06741%0.414CS..  trans-85.8119.2166.7-55.7173.4000106.6L406 V428 L431 V432 L436 H470L406-I472 HydrophobicContact CD2-CD1 3.71Å; L406-I472 HydrophobicContact CD2-CG1 3.97Å; L406-I472 HydrophobicContact CD2-CG2 4.38Å; V428-I472 HydrophobicContact CG1-CG2 4.4Å; L431-I472 HydrophobicContact CB-CG2 4.05Å; L431-I472 HydrophobicContact CD1-CG2 4.22Å; V432-I472 HydrophobicContact CG2-CB 4.08Å; V432-I472 HydrophobicContact CG2-CD1 4.49Å; V432-I472 HydrophobicContact CG2-CG2 4.4Å; L436-I472 HydrophobicContact CD1-CD1 4.38Å; H470-I472 PolarHBondContact O-N 3.45Å
473D91.6Very high68Low49 Ų4977.7 Ų77.726%0.26241%0.408SS..  trans-145-178.1176.163.335.1000110.3V428 S475 C476V428-D473 VanDerWaalsContact CG2-C 3.41Å; D473-S475 PolarHBondContact O-N 3.16Å; D473-S475 VanDerWaalsContact O-N 3.07Å; D473-S475 WeakPolarHBondContact OD1-CA 3.44Å; D473-S475 WeakPolarHBondContact OD1-CB 3.25Å; D473-S475 PolarHBondContact OD1-N 2.96Å; D473-S475 PolarHBondContact OD1-OG 3.38Å; D473-C476 VanDerWaalsContact O-CB 3.26Å; D473-C476 WeakPolarHBondContact O-CB 3.32Å; D473-C476 PolarHBondContact O-N 2.93Å
474A91.2Very high68.8Low47 Ų4774.8 Ų74.839%0.38840%0.401SS..G310 helixtrans-59.4-21.1-176.900000113.7A424 V428 C476 L477A424-A474 HydrophobicContact CB-CB 4.19Å; V428-A474 HydrophobicContact CG2-CB 4.49Å; A474-C476 PolarHBondContact O-N 3.38Å; A474-L477 WeakPolarHBondContact O-CB 3.4Å; A474-L477 PolarHBondContact O-N 2.96Å; A474-L477 VanDerWaalsContact O-N 3.14Å
475S90.2Very high69.3Low77 Ų7774 Ų7454%0.53841%0.405SS..G310 helixtrans-69.7-14.3175.877.20000113.4V283 D473 L477V283-S475 WeakPolarHBondContact CG1-O 3.45Å; D473-S475 PolarHBondContact O-N 3.16Å; D473-S475 VanDerWaalsContact O-N 3.07Å; D473-S475 WeakPolarHBondContact OD1-CA 3.44Å; D473-S475 WeakPolarHBondContact OD1-CB 3.25Å; D473-S475 PolarHBondContact OD1-N 2.96Å; D473-S475 PolarHBondContact OD1-OG 3.38Å; S475-L477 VanDerWaalsContact C-N 3.26Å
476C90.2Very high69.7Low9 Ų973.2 Ų73.26%0.06140%0.401CS..G310 helixtrans-79.3-8.9173.9-600000112.9V404 R405 D473 A474V404-C476 WeakPolarHBondContact CA-O 3.29Å; R405-C476 PolarHBondContact N-O 3.18Å; R405-C476 WeakPolarHBondContact O-CB 3.37Å; D473-C476 VanDerWaalsContact O-CB 3.26Å; D473-C476 WeakPolarHBondContact O-CB 3.32Å; D473-C476 PolarHBondContact O-N 2.93Å; A474-C476 PolarHBondContact O-N 3.38Å
477L93.1Very high69.9Low24 Ų2473.4 Ų73.413%0.12640%0.398CS..EExtended strand (participates in β ladder)trans-102.1140.7-172.2-52.2-176000112.1V402 L403 V404 A424 V427 V428 L431 A474 S475V402-L477 HydrophobicContact CG1-CB 3.91Å; V402-L477 HydrophobicContact CG1-CD2 4.15Å; V402-L477 HydrophobicContact CG1-CG 4.43Å; L403-L477 CarbonylContact O-C 3.59Å; L403-L477 WeakPolarHBondContact O-CA 3.38Å; V404-L477 HydrophobicContact CG2-CD2 3.93Å; A424-L477 HydrophobicContact CB-CD1 4.11Å; A424-L477 WeakPolarHBondContact O-CD1 3.08Å; V427-L477 HydrophobicContact CB-CD1 3.86Å; V427-L477 HydrophobicContact CG1-CD1 3.86Å; V427-L477 HydrophobicContact CG1-CD2 3.77Å; V428-L477 HydrophobicContact CG2-CD1 4.06Å; L431-L477 HydrophobicContact CD1-CD2 3.63Å; A474-L477 WeakPolarHBondContact O-CB 3.4Å; A474-L477 PolarHBondContact O-N 2.96Å; A474-L477 VanDerWaalsContact O-N 3.14Å; S475-L477 VanDerWaalsContact C-N 3.26Å
478D90.6Very high69.7Low19 Ų1969.2 Ų69.210%0.10239%0.387CS..EExtended strand (participates in β ladder)trans-133.8116.6171.3171.29.4000109.9L403 T480L403-D478 HydrophobicContact CB-CB 4.03Å; L403-D478 WeakPolarHBondContact CB-O 3.41Å; L403-D478 HydrophobicContact CD2-CB 4.19Å; L403-D478 PolarHBondContact N-O 3.41Å; L403-D478 PolarHBondContact O-N 3.4Å; D478-T480 VanDerWaalsContact OD1-CB 3.25Å; D478-T480 WeakPolarHBondContact OD1-CB 3.18Å; D478-T480 VanDerWaalsContact OD1-CG2 3.32Å; D478-T480 WeakPolarHBondContact OD1-CG2 3.44Å; D478-T480 PolarHBondContact OD1-N 2.88Å; D478-T480 PolarHBondContact OD1-OG1 3.31Å; D478-T480 PolarHBondContact OD2-OG1 3.01Å
479T85.8Confident69.6Low51 Ų5169.2 Ų69.231%0.31339%0.392SS..  trans-99.15.2-178.3590000113.1Q400 V402 L481Q400-T479 PolarHBondContact NE2-O 3Å; V402-T479 HydrophobicContact CG1-CG2 4.11Å; V402-T479 HydrophobicContact CG2-CG2 4.12Å; T479-L481 VanDerWaalsContact C-N 3.29Å; T479-L481 PolarHBondContact O-N 3.26Å
480T84.7Confident68.7Low79 Ų7973.5 Ų73.549%0.48541%0.41SS..G310 helixtrans-78-10.9-173.566.40000114D478 E482 K483D478-T480 VanDerWaalsContact OD1-CB 3.25Å; D478-T480 WeakPolarHBondContact OD1-CB 3.18Å; D478-T480 VanDerWaalsContact OD1-CG2 3.32Å; D478-T480 WeakPolarHBondContact OD1-CG2 3.44Å; D478-T480 PolarHBondContact OD1-N 2.88Å; D478-T480 PolarHBondContact OD1-OG1 3.31Å; D478-T480 PolarHBondContact OD2-OG1 3.01Å; T480-E482 PolarHBondContact O-N 3.13Å; T480-E482 VanDerWaalsContact O-N 3.11Å; T480-K483 PolarHBondContact O-N 3.38Å
481L82.9Confident67.1Low19 Ų1973 Ų7310%0.09941%0.411CS..G310 helixtrans-55.7-32.2-176.3-72.1-177.2000114.1F287 P347 I349 R401 L403 T479F287-L481 HydrophobicContact CE2-CD2 4.24Å; F287-L481 HydrophobicContact CZ-CD2 4.27Å; P347-L481 HydrophobicContact CB-CB 4.18Å; P347-L481 HydrophobicContact CG-CB 4.17Å; I349-L481 HydrophobicContact CD1-CD1 3.83Å; R401-L481 HydrophobicContact CG-CD1 4.47Å; L403-L481 HydrophobicContact CB-CD1 3.76Å; L403-L481 HydrophobicContact CB-CG 4.17Å; L403-L481 HydrophobicContact CD1-CD1 4.33Å; L403-L481 HydrophobicContact CD2-CD2 4.37Å; L403-L481 HydrophobicContact CG-CD1 4.48Å; T479-L481 VanDerWaalsContact C-N 3.29Å; T479-L481 PolarHBondContact O-N 3.26Å
482E79.8Confident64.8Low37 Ų3771.3 Ų71.317%0.17341%0.41CS..G310 helixtrans-104.1-6.6-175.3-60.7-168.2-173.300113.4P347 R376 Q400 R401 T480 S484P347-E482 VanDerWaalsContact CD-OE1 3.25Å; P347-E482 WeakPolarHBondContact CD-OE1 3.21Å; P347-E482 HydrophobicContact CG-CG 3.68Å; P347-E482 WeakPolarHBondContact CG-OE1 3.49Å; R376-E482 IonicContact CZ-OE1 3.88Å; R376-E482 IonicContact NH1-OE1 2.67Å; R376-E482 PolarHBondContact NH1-OE1 3.1Å; R376-E482 IonicContact NH1-OE2 3.68Å; R376-E482 PolarHBondContact NH1-OE2 2.71Å; R376-E482 IonicContact NH2-OE1 2.54Å; R376-E482 PolarHBondContact NH2-OE1 2.85Å; Q400-E482 HydrophobicContact CG-CB 4.45Å; Q400-E482 HydrophobicContact CG-CG 4.39Å; R401-E482 WeakPolarHBondContact CB-OE1 3.46Å; R401-E482 PolarHBondContact N-OE1 3.09Å; T480-E482 PolarHBondContact O-N 3.13Å; T480-E482 VanDerWaalsContact O-N 3.11Å; E482-S484 PolarHBondContact O-N 2.81Å
483K66.8Low62.3Low119 Ų11978.3 Ų78.352%0.51744%0.44SS..SBendtrans-65.8126.7175.9-65.6-168.5176.6-162.30109.5R345 T480R345-K483 PolarHBondContact NH1-O 3.08Å; T480-K483 PolarHBondContact O-N 3.38Å
484S47.8Very low59.5Low64 Ų6478.1 Ų78.145%0.44844%0.443SS..  trans-65.3132.5172.6-72.40000109.4E482 E486E482-S484 PolarHBondContact O-N 2.81Å; S484-E486 PolarHBondContact O-N 2.98Å; S484-E486 VanDerWaalsContact O-N 3.11Å
485P41.3Very low57.1Low118 Ų11882.5 Ų82.577%0.76646%0.455SS*.THydrogen-bonded Turntrans-67-6.117625.4-31.5000113.8
486E35Very low54.7Low149 Ų14981.9 Ų81.970%0.69645%0.451SS*.THydrogen-bonded Turntrans-106.93.3-174.1-61.7-166.1159.600115.2S484 S488S484-E486 PolarHBondContact O-N 2.98Å; S484-E486 VanDerWaalsContact O-N 3.11Å; E486-S488 PolarHBondContact O-N 2.85Å
487L33.5Very low52.4Low106 Ų10687 Ų8756%0.55547%0.474SS*.  trans-85110.3170.4-71.5162.9000108.2D491L487-D491 HydrophobicContact CB-CB 4.45Å; L487-D491 HydrophobicContact CD2-CB 3.57Å
488S29.6Very low50Low55 Ų5589.5 Ų89.539%0.38549%0.486SS..  trans-55.4153.3168.475.10000109.1E486 D490 D491E486-S488 PolarHBondContact O-N 2.85Å; S488-D490 PolarHBondContact O-N 3.44Å; S488-D491 PolarHBondContact O-N 3.4Å; S488-D491 PolarHBondContact OG-OD2 3.01Å
489A35.3Very low47.9Very low85 Ų8593.4 Ų93.470%0.70251%0.506SS*.THydrogen-bonded Turntrans-58.6-9.9177.400000113.4
490D36.1Very low45.6Very low153 Ų15395.3 Ų95.382%0.81851%0.514SS*.THydrogen-bonded Turntrans-95.5-7.3177-55-39.8000112.9S488S488-D490 PolarHBondContact O-N 3.44Å
491D33.6Very low43.4Very low90 Ų9099.8 Ų99.848%0.48153%0.529SS..  trans-110.922.6170.9-59.8-60.1000111.7L487 S488 F493L487-D491 HydrophobicContact CB-CB 4.45Å; L487-D491 HydrophobicContact CD2-CB 3.57Å; S488-D491 PolarHBondContact O-N 3.4Å; S488-D491 PolarHBondContact OG-OD2 3.01Å; D491-F493 PolarHBondContact O-N 2.94Å
492E33Very low41.5Very low135 Ų135104.5 Ų104.563%0.63156%0.559SS**  trans-60.996.8155.6-82.7-166.2152.300106S494E492-S494 PolarHBondContact O-N 3.21Å
493F35.5Very low39.6Very low160 Ų160106.9 Ų106.970%0.70258%0.576SS**  trans-48101.9150.2-91.7-87.5000104.4D491 E495D491-F493 PolarHBondContact O-N 2.94Å; F493-E495 PolarHBondContact O-N 2.89Å
494S33.9Very low38.1Very low45 Ų45109.6 Ų109.632%0.31559%0.59SS.*  trans-55.7130.4-177.4-151.80000104.4E492 S496 E497E492-S494 PolarHBondContact O-N 3.21Å; S494-S496 CarbonylContact O-C 3.5Å; S494-S496 PolarHBondContact O-N 2.67Å; S494-S496 WeakPolarHBondContact OG-CB 3.48Å; S494-S496 PolarHBondContact OG-OG 3.07Å; S494-E497 PolarHBondContact O-N 3Å
495E40.1Very low37.5Very low139 Ų139111.1 Ų111.165%0.6560%0.601SS**Hα-helixtrans-48.4-26.3168.1-88.1-180147.800109.7F493 I499F493-E495 PolarHBondContact O-N 2.89Å; E495-I499 WeakPolarHBondContact O-CD1 3.29Å; E495-I499 WeakPolarHBondContact O-CG1 3.5Å
496S40.6Very low37.2Very low63 Ų63111.6 Ų111.644%0.44160%0.601SS.*Hα-helixtrans-61.3-42.5167.1-15.10000116.1S494 I499 D500S494-S496 CarbonylContact O-C 3.5Å; S494-S496 PolarHBondContact O-N 2.67Å; S494-S496 WeakPolarHBondContact OG-CB 3.48Å; S494-S496 PolarHBondContact OG-OG 3.07Å; S496-I499 PolarHBondContact O-N 2.91Å; S496-D500 WeakPolarHBondContact O-CB 3.32Å; S496-D500 PolarHBondContact O-N 2.83Å
497E41.7Very low37.1Very low118 Ų118110.3 Ų110.355%0.55161%0.606SS**Hα-helixtrans-75.6-27.7-173.9-77-179.516400112.9S494 I499 E501S494-E497 PolarHBondContact O-N 3Å; E497-I499 VanDerWaalsContact C-N 3.33Å; E497-E501 PolarHBondContact O-N 3.02Å
498M42.6Very low37Very low76 Ų76112 Ų11237%0.37462%0.62SS.*Hα-helixtrans-77.4-19.9169.4-94.8176.925.300113.2L397 L420 V502L397-M498 HydrophobicContact CD1-CE 4.46Å; L420-M498 HydrophobicContact CD1-CE 4.07Å; L420-M498 HydrophobicContact CD2-CE 3.3Å; L420-M498 HydrophobicContact CG-CE 4.33Å; M498-V502 WeakPolarHBondContact O-CG2 3.3Å
499I46.5Very low37.2Very low101 Ų101114.3 Ų114.352%0.51864%0.636SS.*Hα-helixtrans-85.5-33.3173.5-62.1165.1000109.5E495 S496 E497 V502 V503E495-I499 WeakPolarHBondContact O-CD1 3.29Å; E495-I499 WeakPolarHBondContact O-CG1 3.5Å; S496-I499 PolarHBondContact O-N 2.91Å; E497-I499 VanDerWaalsContact C-N 3.33Å; I499-V502 PolarHBondContact O-N 2.94Å; I499-V503 HydrophobicContact CG2-CG2 4.14Å; I499-V503 VanDerWaalsContact O-CB 3.28Å; I499-V503 WeakPolarHBondContact O-CB 3.32Å; I499-V503 WeakPolarHBondContact O-CG2 3.27Å; I499-V503 PolarHBondContact O-N 3.29Å
500D36.6Very low37.1Very low91 Ų91114.7 Ų114.749%0.48763%0.634SS.*Hα-helixtrans-73.6-31.8179-77.4-24.6000113S496 V502 V503 E504S496-D500 WeakPolarHBondContact O-CB 3.32Å; S496-D500 PolarHBondContact O-N 2.83Å; D500-V502 PolarHBondContact O-N 3.38Å; D500-V503 CarbonylContact O-C 3.55Å; D500-V503 PolarHBondContact O-N 3.21Å; D500-V503 VanDerWaalsContact O-N 3.13Å; D500-E504 WeakPolarHBondContact O-CB 3.1Å; D500-E504 PolarHBondContact O-N 3.15Å
501E38.3Very low36.6Very low173 Ų173112 Ų11281%0.80863%0.627SS**Hα-helixtrans-71.4-16.8171.8-132.2-178.9-170.800113.2E497E497-E501 PolarHBondContact O-N 3.02Å
502V43.9Very low36.4Very low118 Ų118116.6 Ų116.672%0.71564%0.643SS**Hα-helixtrans-93.2-13.3172.6176.80000111.7M498 I499 D500M498-V502 WeakPolarHBondContact O-CG2 3.3Å; I499-V502 PolarHBondContact O-N 2.94Å; D500-V502 PolarHBondContact O-N 3.38Å
503V39.8Very low36.3Very low87 Ų87115.5 Ų115.553%0.52765%0.646SS.*Hα-helixtrans-113.9-9.8-174.6174.20000112.9I499 D500 S505I499-V503 HydrophobicContact CG2-CG2 4.14Å; I499-V503 VanDerWaalsContact O-CB 3.28Å; I499-V503 WeakPolarHBondContact O-CB 3.32Å; I499-V503 WeakPolarHBondContact O-CG2 3.27Å; I499-V503 PolarHBondContact O-N 3.29Å; D500-V503 CarbonylContact O-C 3.55Å; D500-V503 PolarHBondContact O-N 3.21Å; D500-V503 VanDerWaalsContact O-N 3.13Å; V503-S505 VanDerWaalsContact C-N 3.3Å; V503-S505 PolarHBondContact O-N 2.87Å
504E34.7Very low36Very low175 Ų175115.1 Ų115.182%0.81865%0.65SS**  trans-79.85.9-179.8-110.2-175.4163.600116.7D500D500-E504 WeakPolarHBondContact O-CB 3.1Å; D500-E504 PolarHBondContact O-N 3.15Å
505S35.9Very low36.3Very low97 Ų97123.7 Ų123.768%0.67868%0.677SS**SBendtrans-103.9109159.667.40000110.2V503V503-S505 VanDerWaalsContact C-N 3.3Å; V503-S505 PolarHBondContact O-N 2.87Å
506V34.4Very low36.1Very low128 Ų128121.3 Ų121.378%0.77667%0.669SS**SBendtrans104.6120171.1-172.30000114.1
507P32.8Very low36.7Very low121 Ų121122.4 Ų122.479%0.78667%0.674SS**  trans-76.4145-171.731.5-34.2000113.5
508V31.2Very low37.4Very low142 Ų142122.1 Ų122.186%0.86168%0.676SS**  trans-38.5127171.9-170.40000114.9
509S34.6Very low38.1Very low104 Ų104124.1 Ų124.173%0.72769%0.687SS**  trans-154.8111.9138.859.10000112
510S32.4Very low38.5Very low93 Ų93124.6 Ų124.665%0.6569%0.69SS**  trans57.9107.9142.862.60000120.2
511S27.4Very low40Very low96 Ų96123.8 Ų123.867%0.67169%0.688SS**  64.3145.6118.7-43.60000120.5
512F29.2Very low41.6Very low186 Ų186119 Ų11982%0.81667%0.671SS**  trans87101.7164.1-56.7-80.5000114.9
513T29.6Very low42.7Very low112 Ų112117.2 Ų117.269%0.68766%0.663SS**  48.1135.585.866.60000114.4
514L30.5Very low44.4Very low152 Ų152117 Ų11780%0.79666%0.659SS**  trans89.4108.2173.4-86.772.4000116.6N516L514-N516 PolarHBondContact O-N 3.15Å
515Y39.6Very low46.7Very low225 Ų225112.8 Ų112.888%0.88264%0.641SS**  trans-4.396.7130.4-93.2-97.1000112.9P517Y515-P517 VanDerWaalsContact O-CD 3.3Å; Y515-P517 WeakPolarHBondContact O-CD 3.47Å
516N36.4Very low48.9Very low89 Ų89112.9 Ų112.948%0.47664%0.637SS.*  trans-96105.6171.2-157.6-23000108.4L514 I518 I519L514-N516 PolarHBondContact O-N 3.15Å; N516-I518 PolarHBondContact O-N 3.14Å; N516-I519 HydrophobicContact CB-CD1 4.46Å; N516-I519 PolarHBondContact O-N 3.22Å
517P52.2Low51.2Low86 Ų86112 Ų11256%0.55863%0.627SS**Hα-helixtrans-58.6-20.3-176.923.6-33.6000112.4Y515 V521Y515-P517 VanDerWaalsContact O-CD 3.3Å; Y515-P517 WeakPolarHBondContact O-CD 3.47Å; P517-V521 VanDerWaalsContact O-CB 3.3Å; P517-V521 WeakPolarHBondContact O-CB 3.3Å; P517-V521 WeakPolarHBondContact O-CG2 3.28Å; P517-V521 PolarHBondContact O-N 2.79Å
518I57Low53.7Low113 Ų113110.5 Ų110.558%0.57961%0.612SS**Hα-helixtrans-66.7-40178.2-58.2174.8000111.4N516 V521 T522N516-I518 PolarHBondContact O-N 3.14Å; I518-V521 PolarHBondContact O-N 3.13Å; I518-T522 WeakPolarHBondContact O-CG2 3.46Å; I518-T522 PolarHBondContact O-N 3.38Å; I518-T522 PolarHBondContact O-OG1 3.34Å; I518-T522 VanDerWaalsContact O-OG1 3.13Å
519I57Low56.4Low118 Ų118107.9 Ų107.961%0.60559%0.592SS**Hα-helixtrans-70.6-41.1-179.8-62.4176.8000110.4N516 T522 S523N516-I519 HydrophobicContact CB-CD1 4.46Å; N516-I519 PolarHBondContact O-N 3.22Å; I519-T522 VanDerWaalsContact CA-OG1 3.32Å; I519-T522 WeakPolarHBondContact CA-OG1 3.23Å; I519-T522 PolarHBondContact O-N 3.33Å; I519-T522 PolarHBondContact O-OG1 2.9Å; I519-S523 PolarHBondContact O-N 3.34Å
520L55.3Low58.7Low110 Ų110105.5 Ų105.558%0.57658%0.578SS**Hα-helixtrans-61.2-44.8173.8-165.191.4000111.1S523 I524L520-S523 PolarHBondContact O-N 2.88Å; L520-I524 HydrophobicContact CD2-CD1 4.12Å; L520-I524 HydrophobicContact CG-CD1 4.08Å; L520-I524 VanDerWaalsContact O-CG1 3.28Å; L520-I524 WeakPolarHBondContact O-CG1 3.49Å; L520-I524 PolarHBondContact O-N 2.96Å
521V68.7Low61.2Low75 Ų75106 Ų10646%0.45557%0.573SS.*Hα-helixtrans-64.4-41.3177.71690000111.1P517 I518 S523 I524 I525P517-V521 VanDerWaalsContact O-CB 3.3Å; P517-V521 WeakPolarHBondContact O-CB 3.3Å; P517-V521 WeakPolarHBondContact O-CG2 3.28Å; P517-V521 PolarHBondContact O-N 2.79Å; I518-V521 PolarHBondContact O-N 3.13Å; V521-S523 PolarHBondContact O-N 3.07Å; V521-I524 PolarHBondContact O-N 3.45Å; V521-I525 HydrophobicContact CG1-CD1 3.69Å; V521-I525 HydrophobicContact CG1-CG1 4.35Å; V521-I525 WeakPolarHBondContact O-CB 3.32Å; V521-I525 VanDerWaalsContact O-CG1 3.23Å; V521-I525 WeakPolarHBondContact O-CG1 3.37Å; V521-I525 PolarHBondContact O-N 3.32Å
522T70.3Confident64Low72 Ų72106.9 Ų106.944%0.44257%0.569SS.*Hα-helixtrans-64.3-39.6175.450.50000112.2I518 I519 I525 V526I518-T522 WeakPolarHBondContact O-CG2 3.46Å; I518-T522 PolarHBondContact O-N 3.38Å; I518-T522 PolarHBondContact O-OG1 3.34Å; I518-T522 VanDerWaalsContact O-OG1 3.13Å; I519-T522 VanDerWaalsContact CA-OG1 3.32Å; I519-T522 WeakPolarHBondContact CA-OG1 3.23Å; I519-T522 PolarHBondContact O-N 3.33Å; I519-T522 PolarHBondContact O-OG1 2.9Å; T522-I525 PolarHBondContact O-N 3.48Å; T522-V526 VanDerWaalsContact O-CG2 3.29Å; T522-V526 WeakPolarHBondContact O-CG2 3.29Å; T522-V526 PolarHBondContact O-N 2.98Å
523S67.5Low66.7Low81 Ų81102.3 Ų102.357%0.56655%0.553SS**Hα-helixtrans-65.2-39.5176.1-171.60000112I519 L520 V521 L527I519-S523 PolarHBondContact O-N 3.34Å; L520-S523 PolarHBondContact O-N 2.88Å; V521-S523 PolarHBondContact O-N 3.07Å; S523-L527 WeakPolarHBondContact O-CB 3.49Å; S523-L527 PolarHBondContact O-N 2.94Å
524I75.6Confident69.1Low83 Ų8399.9 Ų99.943%0.42654%0.544SS..Hα-helixtrans-67.3-41.2176.1-69.1166.4000110.7L520 V521 L527 I528L520-I524 HydrophobicContact CD2-CD1 4.12Å; L520-I524 HydrophobicContact CG-CD1 4.08Å; L520-I524 VanDerWaalsContact O-CG1 3.28Å; L520-I524 WeakPolarHBondContact O-CG1 3.49Å; L520-I524 PolarHBondContact O-N 2.96Å; V521-I524 PolarHBondContact O-N 3.45Å; I524-L527 PolarHBondContact O-N 3.3Å; I524-I528 HydrophobicContact CG2-CD1 3.82Å; I524-I528 HydrophobicContact CG2-CG1 4.44Å; I524-I528 VanDerWaalsContact O-CG1 3.29Å; I524-I528 WeakPolarHBondContact O-CG1 3.29Å; I524-I528 PolarHBondContact O-N 3.47Å
525I82.4Confident71.7Confident86 Ų86100.5 Ų100.544%0.44154%0.537SS..Hα-helixtrans-63-44176.9-70.2166.1000110.9V521 T522 L527 I528 I529V521-I525 HydrophobicContact CG1-CD1 3.69Å; V521-I525 HydrophobicContact CG1-CG1 4.35Å; V521-I525 WeakPolarHBondContact O-CB 3.32Å; V521-I525 VanDerWaalsContact O-CG1 3.23Å; V521-I525 WeakPolarHBondContact O-CG1 3.37Å; V521-I525 PolarHBondContact O-N 3.32Å; T522-I525 PolarHBondContact O-N 3.48Å; I525-L527 VanDerWaalsContact C-N 3.33Å; I525-L527 PolarHBondContact O-N 3.02Å; I525-I528 PolarHBondContact O-N 3.32Å; I525-I529 HydrophobicContact CG2-CD1 3.79Å; I525-I529 HydrophobicContact CG2-CG1 4.44Å; I525-I529 VanDerWaalsContact O-CG1 3.3Å; I525-I529 WeakPolarHBondContact O-CG1 3.3Å; I525-I529 PolarHBondContact O-N 3.3Å
526V82.8Confident73.9Confident99 Ų9995.8 Ų95.860%0.652%0.519SS*.Hα-helixtrans-61.7-41.8177172.10000111.1T522 I529 A530T522-V526 VanDerWaalsContact O-CG2 3.29Å; T522-V526 WeakPolarHBondContact O-CG2 3.29Å; T522-V526 PolarHBondContact O-N 2.98Å; V526-I529 PolarHBondContact O-N 2.97Å; V526-A530 PolarHBondContact O-N 3.36Å
527L82.8Confident75.9Confident110 Ų11098 Ų9858%0.57652%0.524SS*.Hα-helixtrans-63.5-43.4176.2-172.869000112.2S523 I524 I525 I529 A530 I531S523-L527 WeakPolarHBondContact O-CB 3.49Å; S523-L527 PolarHBondContact O-N 2.94Å; I524-L527 PolarHBondContact O-N 3.3Å; I525-L527 VanDerWaalsContact C-N 3.33Å; I525-L527 PolarHBondContact O-N 3.02Å; L527-I529 PolarHBondContact O-N 2.95Å; L527-A530 PolarHBondContact O-N 3.02Å; L527-I531 HydrophobicContact CG-CD1 4.21Å; L527-I531 WeakPolarHBondContact O-CG1 3.42Å; L527-I531 PolarHBondContact O-N 2.91Å
528I86.1Confident76.9Confident89 Ų8996.6 Ų96.646%0.45652%0.52SS..Hα-helixtrans-62.6-43.2176.6-68.7167.7000110.8I524 I525 A530 I531 L532I524-I528 HydrophobicContact CG2-CD1 3.82Å; I524-I528 HydrophobicContact CG2-CG1 4.44Å; I524-I528 VanDerWaalsContact O-CG1 3.29Å; I524-I528 WeakPolarHBondContact O-CG1 3.29Å; I524-I528 PolarHBondContact O-N 3.47Å; I525-I528 PolarHBondContact O-N 3.32Å; I528-A530 VanDerWaalsContact C-N 3.34Å; I528-A530 PolarHBondContact O-N 2.96Å; I528-I531 PolarHBondContact O-N 3.3Å; I528-L532 HydrophobicContact CG2-CD1 4.01Å; I528-L532 HydrophobicContact CG2-CG 4.43Å; I528-L532 WeakPolarHBondContact O-CG 3.34Å; I528-L532 PolarHBondContact O-N 3.43Å
529I86.9Confident77.8Confident87 Ų8793.8 Ų93.845%0.44651%0.508SS..Hα-helixtrans-62.4-42.5177.1-68.3167.6000110.7I525 V526 L527 I531 L532 L533I525-I529 HydrophobicContact CG2-CD1 3.79Å; I525-I529 HydrophobicContact CG2-CG1 4.44Å; I525-I529 VanDerWaalsContact O-CG1 3.3Å; I525-I529 WeakPolarHBondContact O-CG1 3.3Å; I525-I529 PolarHBondContact O-N 3.3Å; V526-I529 PolarHBondContact O-N 2.97Å; L527-I529 PolarHBondContact O-N 2.95Å; I529-I531 PolarHBondContact O-N 2.97Å; I529-L532 PolarHBondContact O-N 3.5Å; I529-L533 HydrophobicContact CG2-CD1 3.94Å; I529-L533 HydrophobicContact CG2-CG 4.36Å; I529-L533 WeakPolarHBondContact O-CB 3.08Å; I529-L533 WeakPolarHBondContact O-CG 3.34Å; I529-L533 PolarHBondContact O-N 3.29Å
530A82.4Confident78.4Confident53 Ų5392.8 Ų92.844%0.43850%0.501SS..Hα-helixtrans-62-41.7177.300000112.3V526 L527 I528 L533 A534V526-A530 PolarHBondContact O-N 3.36Å; L527-A530 PolarHBondContact O-N 3.02Å; I528-A530 VanDerWaalsContact C-N 3.34Å; I528-A530 PolarHBondContact O-N 2.96Å; A530-L533 PolarHBondContact O-N 3.45Å; A530-A534 WeakPolarHBondContact O-CB 3.49Å; A530-A534 PolarHBondContact O-N 3.47Å
531I84.9Confident78.5Confident105 Ų10590.9 Ų90.954%0.53850%0.496SS..Hα-helixtrans-64.7-43.2176-67.2166.5000111L527 I528 I529 A534 Y535L527-I531 HydrophobicContact CG-CD1 4.21Å; L527-I531 WeakPolarHBondContact O-CG1 3.42Å; L527-I531 PolarHBondContact O-N 2.91Å; I528-I531 PolarHBondContact O-N 3.3Å; I529-I531 PolarHBondContact O-N 2.97Å; I531-A534 PolarHBondContact O-N 3.35Å; I531-Y535 PolarHBondContact O-N 3.23Å
532L86.7Confident77.8Confident113 Ų11396.4 Ų96.459%0.59251%0.511SS*.Hα-helixtrans-64.7-40.4177.7-71.3172.6000112.2I528 I529 Y535 Y536I528-L532 HydrophobicContact CG2-CD1 4.01Å; I528-L532 HydrophobicContact CG2-CG 4.43Å; I528-L532 WeakPolarHBondContact O-CG 3.34Å; I528-L532 PolarHBondContact O-N 3.43Å; I529-L532 PolarHBondContact O-N 3.5Å; L532-Y535 PolarHBondContact O-N 2.9Å; L532-Y536 WeakPolarHBondContact O-CB 3.35Å; L532-Y536 PolarHBondContact O-N 3.48Å
533L85.4Confident76.9Confident91 Ų91100.7 Ų100.748%0.47653%0.526SS..Hα-helixtrans-64.4-44.4174.7-73.6171.8000111.3I529 A530 Y535 Y536 F537I529-L533 HydrophobicContact CG2-CD1 3.94Å; I529-L533 HydrophobicContact CG2-CG 4.36Å; I529-L533 WeakPolarHBondContact O-CB 3.08Å; I529-L533 WeakPolarHBondContact O-CG 3.34Å; I529-L533 PolarHBondContact O-N 3.29Å; A530-L533 PolarHBondContact O-N 3.45Å; L533-Y535 VanDerWaalsContact C-N 3.33Å; L533-Y535 PolarHBondContact O-N 3.44Å; L533-Y536 PolarHBondContact O-N 3.41Å; L533-F537 HydrophobicContact CB-CE2 4.5Å; L533-F537 WeakPolarHBondContact O-CD2 3.42Å; L533-F537 PolarHBondContact O-N 2.94Å
534A80.8Confident76.1Confident61 Ų61101.6 Ų101.650%0.50453%0.532SS..Hα-helixtrans-60.3-42.5176.100000112A530 I531 F537 A538A530-A534 WeakPolarHBondContact O-CB 3.49Å; A530-A534 PolarHBondContact O-N 3.47Å; I531-A534 PolarHBondContact O-N 3.35Å; A534-F537 PolarHBondContact O-N 2.96Å; A534-A538 WeakPolarHBondContact O-CB 3.48Å; A534-A538 PolarHBondContact O-N 3.02Å
535Y85.4Confident74.8Confident165 Ų165105.9 Ų105.965%0.64755%0.548SS*.Hα-helixtrans-64.1-43174.8-172.9-97.1000112.1I531 L532 L533 F537 A538 T539I531-Y535 PolarHBondContact O-N 3.23Å; L532-Y535 PolarHBondContact O-N 2.9Å; L533-Y535 VanDerWaalsContact C-N 3.33Å; L533-Y535 PolarHBondContact O-N 3.44Å; Y535-F537 PolarHBondContact O-N 3Å; Y535-A538 PolarHBondContact O-N 2.97Å; Y535-T539 HydrophobicContact CD1-CG2 4.13Å; Y535-T539 HydrophobicContact CE1-CG2 3.73Å; Y535-T539 HydrophobicContact CE2-CG2 4.45Å; Y535-T539 WeakPolarHBondContact O-CG2 3.4Å; Y535-T539 PolarHBondContact O-N 3.47Å; Y535-T539 PolarHBondContact O-OG1 3.29Å
536Y85.1Confident73Confident125 Ų125108.4 Ų108.449%0.4956%0.562SS.*Hα-helixtrans-59.3-47.2176.4-178.7-99000112L532 L533 A538 T539 Q540L532-Y536 WeakPolarHBondContact O-CB 3.35Å; L532-Y536 PolarHBondContact O-N 3.48Å; L533-Y536 PolarHBondContact O-N 3.41Å; Y536-A538 PolarHBondContact O-N 3.49Å; Y536-T539 PolarHBondContact O-N 3.24Å; Y536-T539 PolarHBondContact O-OG1 2.98Å; Y536-Q540 HydrophobicContact CD1-CG 4.34Å; Y536-Q540 HydrophobicContact CE1-CG 3.9Å; Y536-Q540 PolarHBondContact O-N 3.3Å; Y536-Q540 PolarHBondContact OH-NE2 3.48Å
537F79.2Confident71.3Confident137 Ų137112.8 Ų112.860%0.60157%0.573SS**Hα-helixtrans-66.1-36.5177.2-73.7-63.6000113L533 A534 Y535 T539 S541L533-F537 HydrophobicContact CB-CE2 4.5Å; L533-F537 WeakPolarHBondContact O-CD2 3.42Å; L533-F537 PolarHBondContact O-N 2.94Å; A534-F537 PolarHBondContact O-N 2.96Å; Y535-F537 PolarHBondContact O-N 3Å; F537-T539 VanDerWaalsContact C-N 3.34Å; F537-T539 PolarHBondContact O-N 3.17Å; F537-S541 WeakPolarHBondContact O-CB 3.4Å; F537-S541 PolarHBondContact O-N 3.48Å
538A73.4Confident69.6Low56 Ų56115 Ų11546%0.46358%0.584SS.*Hα-helixtrans-64.1-38.4174.900000112.2A534 Y535 Y536 S541 Y542A534-A538 WeakPolarHBondContact O-CB 3.48Å; A534-A538 PolarHBondContact O-N 3.02Å; Y535-A538 PolarHBondContact O-N 2.97Å; Y536-A538 PolarHBondContact O-N 3.49Å; A538-S541 WeakPolarHBondContact O-CB 3.36Å; A538-S541 PolarHBondContact O-N 2.86Å; A538-Y542 PolarHBondContact O-N 3.29Å
539T74.9Confident67.9Low53 Ų53115.9 Ų115.933%0.32560%0.595SS.*Hα-helixtrans-73.8-37177.857.70000113.3Y535 Y536 F537 S541 Y542 Q543Y535-T539 HydrophobicContact CD1-CG2 4.13Å; Y535-T539 HydrophobicContact CE1-CG2 3.73Å; Y535-T539 HydrophobicContact CE2-CG2 4.45Å; Y535-T539 WeakPolarHBondContact O-CG2 3.4Å; Y535-T539 PolarHBondContact O-N 3.47Å; Y535-T539 PolarHBondContact O-OG1 3.29Å; Y536-T539 PolarHBondContact O-N 3.24Å; Y536-T539 PolarHBondContact O-OG1 2.98Å; F537-T539 VanDerWaalsContact C-N 3.34Å; F537-T539 PolarHBondContact O-N 3.17Å; T539-S541 VanDerWaalsContact C-N 3.35Å; T539-Y542 PolarHBondContact O-N 3.35Å; T539-Y542 VanDerWaalsContact O-N 3.15Å; T539-Q543 PolarHBondContact O-N 3.46Å; T539-Q543 VanDerWaalsContact O-N 3.1Å
540Q69.7Low66.1Low97 Ų97117 Ų11745%0.45361%0.608SS.*Hα-helixtrans-61.7-41.5170.1-78.9-84.312.500111.7Y536 Y542 Q543 S544Y536-Q540 HydrophobicContact CD1-CG 4.34Å; Y536-Q540 HydrophobicContact CE1-CG 3.9Å; Y536-Q540 PolarHBondContact O-N 3.3Å; Y536-Q540 PolarHBondContact OH-NE2 3.48Å; Q540-Y542 PolarHBondContact O-N 3.1Å; Q540-Q543 PolarHBondContact O-N 3.15Å; Q540-S544 PolarHBondContact O-N 3.32Å
541S56.9Low64.3Low70 Ų70120.4 Ų120.449%0.4963%0.626SS.*Hα-helixtrans-62.3-27.8173.8168.80000113.1F537 A538 T539F537-S541 WeakPolarHBondContact O-CB 3.4Å; F537-S541 PolarHBondContact O-N 3.48Å; A538-S541 WeakPolarHBondContact O-CB 3.36Å; A538-S541 PolarHBondContact O-N 2.86Å; T539-S541 VanDerWaalsContact C-N 3.35Å
542Y54.1Low63Low192 Ų192123.4 Ų123.475%0.75364%0.642SS**Hα-helixtrans-84-31.6-179.5-133.5-90.6000112.1A538 T539 Q540 S544A538-Y542 PolarHBondContact O-N 3.29Å; T539-Y542 PolarHBondContact O-N 3.35Å; T539-Y542 VanDerWaalsContact O-N 3.15Å; Q540-Y542 PolarHBondContact O-N 3.1Å; Y542-S544 VanDerWaalsContact C-N 3.34Å
543Q52.9Low61.2Low162 Ų162123.9 Ų123.976%0.75765%0.652SS**Hα-helixtrans-73.9-21.4175.9-75.4-87.2-50.300113.3T539 Q540 K545T539-Q543 PolarHBondContact O-N 3.46Å; T539-Q543 VanDerWaalsContact O-N 3.1Å; Q540-Q543 PolarHBondContact O-N 3.15Å; Q543-K545 PolarHBondContact O-N 2.96Å
544S50.5Low59Low100 Ų100128.8 Ų128.870%0.69967%0.67SS**THydrogen-bonded Turntrans-83.7-0.1-178.1-172.20000114.9Q540 Y542Q540-S544 PolarHBondContact O-N 3.32Å; Y542-S544 VanDerWaalsContact C-N 3.34Å
545K47.3Very low57.2Low173 Ų173134.8 Ų134.875%0.75269%0.687SS**THydrogen-bonded Turntrans-104.11.5-175.6-83.9-177.4177174.70116Q543Q543-K545 PolarHBondContact O-N 2.96Å
546D45.5Very low54.9Low139 Ų139139.4 Ų139.474%0.74372%0.718SS**  trans-108.869.1176.4-66.5-29.4000111.1
547F45.5Very low53.4Low191 Ų191140.1 Ų140.184%0.83873%0.729SS**  trans-125.293.6167.8-141.5-94.5000110.2
548I47.7Very low52Low156 Ų156140.3 Ų140.380%0.874%0.736SS**PPolyproline II helixtrans-69.6120.5173.3-60.5167.9000107.8
549P50.4Low50.8Low107 Ų107144.9 Ų144.970%0.69575%0.751SS**PPolyproline II helixtrans-76139.3177.429.5-30.9000110.5
550P48.9Very low49.4Very low110 Ų110150.4 Ų150.471%0.71478%0.776SS**PPolyproline II helixtrans-75.2156.6175.132-32.5000111
551P45.8Very low48.1Very low126 Ų126153.7 Ų153.782%0.81880%0.796SS**PPolyproline II helixtrans-76.1135.2-175.131.5-31.9000111
552L56.2Low47.5Very low168 Ų168159.3 Ų159.388%0.8882%0.817SS**PPolyproline II helixtrans-61.3134.3173.1-83.4148.9000111
553P50.7Low47.1Very low123 Ų123156.9 Ų156.980%0.79982%0.821SS**PPolyproline II helixtrans-79.2152.1176.432.1-31.4000111.9
554K39.1Very low46.6Very low194 Ų194156.5 Ų156.584%0.84383%0.826SS**PPolyproline II helixtrans-75.1144.1179.4-70.7175.6174179.70112.4
555E41.5Very low46.3Very low186 Ų186161.3 Ų161.387%0.86984%0.837SS**  trans74.8144.5149.1-73.9-171.3177.100122.5
556M37.1Very low46.2Very low262 Ų262160.2 Ų160.2100%1.29185%0.845SS**  trans820172-69.1-173.38100118.9

Retrieved 556 of 556 residues in 659.1 ms (Link to these results)

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