| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.4 | Very low | 81.2 | Confident | 216 Ų | 216 | 75.8 Ų | 75.8 | 100% | 1.064 | 40% | 0.398 | S | S | * | . | 0 | -16.9 | 0 | -71.6 | -174.8 | -173 | 0 | 0 | 113.3 | |||||
| 2 | D | 58.5 | Low | 82.3 | Confident | 112 Ų | 112 | 72.6 Ų | 72.6 | 60% | 0.599 | 40% | 0.396 | S | S | * | . | trans | -86.1 | -17.1 | -173.8 | -61.9 | -35.5 | 0 | 0 | 0 | 116.6 | N5 | D2-N5 PolarHBondContact O-N 3.14Š| ||
| 3 | A | 63.9 | Low | 83.2 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 62% | 0.62 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -67 | -40.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N5 R6 | A3-N5 PolarHBondContact O-N 3.16Å; A3-N5 VanDerWaalsContact O-N 3.16Å; A3-R6 PolarHBondContact O-N 2.86Å; A3-R6 VanDerWaalsContact O-N 3.14Å |
| 4 | D | 72.8 | Confident | 84.1 | Confident | 136 Ų | 136 | 71 Ų | 71 | 73% | 0.727 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -68.8 | -14.8 | -178.1 | -63.5 | -31.5 | 0 | 0 | 0 | 113.6 | ||
| 5 | N | 85.6 | Confident | 84.9 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -95 | -0.1 | 178 | -75.9 | -27.2 | 0 | 0 | 0 | 113.7 | D2 A3 H19 K20 | D2-N5 PolarHBondContact O-N 3.14Å; A3-N5 PolarHBondContact O-N 3.16Å; A3-N5 VanDerWaalsContact O-N 3.16Å; N5-H19 CarbonylContact O-C 3.58Å; N5-H19 WeakPolarHBondContact O-CA 3.46Å; N5-K20 PolarHBondContact O-N 3.39Å |
| 6 | R | 90.4 | Very high | 85.6 | Confident | 135 Ų | 135 | 72.8 Ų | 72.8 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 150.3 | 175.7 | -63.4 | -175.9 | -174.8 | -170.9 | 2.2 | 111.1 | A3 T18 | A3-R6 PolarHBondContact O-N 2.86Å; A3-R6 VanDerWaalsContact O-N 3.14Å; R6-T18 CarbonylContact C-O 3.54Å; R6-T18 WeakPolarHBondContact CA-O 3.43Å |
| 7 | V | 91.9 | Very high | 86 | Confident | 14 Ų | 14 | 74.4 Ų | 74.4 | 9% | 0.085 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134.9 | 174.9 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | L9 T18 K20 Y48 | V7-L9 HydrophobicContact CG1-CD2 3.87Å; V7-L9 HydrophobicContact CG1-CG 4.31Å; V7-T18 PolarHBondContact N-O 2.84Å; V7-T18 PolarHBondContact O-N 2.99Å; V7-T18 VanDerWaalsContact O-N 3.11Å; V7-K20 HydrophobicContact CG2-CB 4.39Å; V7-K20 HydrophobicContact CG2-CD 4.21Å; V7-K20 HydrophobicContact CG2-CG 3.28Å; V7-Y48 HydrophobicContact CG1-CD2 3.73Å; V7-Y48 HydrophobicContact CG1-CE2 3.73Å |
| 8 | I | 94.1 | Very high | 86.5 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.3 | 176 | -53.2 | 178.4 | 0 | 0 | 0 | 108.3 | R15 E17 E47 Y48 | I8-R15 HydrophobicContact CG2-CB 4.34Å; I8-R15 HydrophobicContact CG2-CG 4.32Å; I8-E17 HydrophobicContact CG1-CG 4.3Å; I8-E47 HydrophobicContact CB-CB 3.8Å; I8-E47 HydrophobicContact CG2-CB 3.73Å; I8-E47 WeakPolarHBondContact O-CA 3.39Å; I8-Y48 PolarHBondContact O-N 3.15Å |
| 9 | L | 95.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 107.7 | 178.3 | -56.1 | 174.4 | 0 | 0 | 0 | 107.9 | V7 H16 T18 L23 L31 L34 Y48 F57 | V7-L9 HydrophobicContact CG1-CD2 3.87Å; V7-L9 HydrophobicContact CG1-CG 4.31Å; L9-H16 HydrophobicContact CB-CB 4.47Å; L9-H16 PolarHBondContact N-O 2.83Å; L9-H16 PolarHBondContact O-N 3.11Å; L9-T18 HydrophobicContact CD1-CG2 4.35Å; L9-L23 HydrophobicContact CD1-CD1 4.25Å; L9-L23 HydrophobicContact CD1-CD2 4.37Å; L9-L31 HydrophobicContact CD1-CD2 4.18Å; L9-L34 HydrophobicContact CD2-CD1 3.77Å; L9-Y48 HydrophobicContact CD2-CD2 3.93Å; L9-Y48 HydrophobicContact CD2-CG 4.24Å; L9-F57 HydrophobicContact CB-CE1 4.31Å; L9-F57 HydrophobicContact CB-CZ 4.31Å; L9-F57 HydrophobicContact CD1-CE1 4.25Å; L9-F57 HydrophobicContact CD1-CZ 3.73Å |
| 10 | N | 95.9 | Very high | 87 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 9% | 0.086 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 109 | 175.4 | -175.7 | -12 | 0 | 0 | 0 | 109.1 | G13 V14 R15 E47 Y48 F49 F50 | N10-G13 WeakPolarHBondContact OD1-CA 3.37Å; N10-G13 PolarHBondContact OD1-N 2.87Å; N10-V14 WeakPolarHBondContact CA-O 3.44Å; N10-V14 PolarHBondContact OD1-N 3.38Å; N10-R15 HydrophobicContact CB-CG 4.42Å; N10-E47 HydrophobicContact CB-CG 4.4Å; N10-E47 PolarHBondContact ND2-OE1 3.35Å; N10-Y48 PolarHBondContact N-O 3.42Å; N10-F49 HydrophobicContact CB-CD2 4.16Å; N10-F49 CarbonylContact O-C 3.52Å; N10-F49 WeakPolarHBondContact O-CA 3.48Å; N10-F50 PolarHBondContact O-N 3.33Å |
| 11 | V | 96.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116.6 | -178.4 | -175.2 | 0 | 0 | 0 | 0 | 109 | G13 V14 F50 R52 P54 F57 W87 | V11-G13 PolarHBondContact O-N 3.43Å; V11-G13 VanDerWaalsContact O-N 3.07Å; V11-V14 PolarHBondContact N-O 2.8Å; V11-V14 PolarHBondContact O-N 2.89Å; V11-F50 CarbonylContact C-O 3.52Å; V11-F50 VanDerWaalsContact CA-O 3.3Å; V11-F50 WeakPolarHBondContact CA-O 3.34Å; V11-F50 HydrophobicContact CG2-CB 4.34Å; V11-F50 HydrophobicContact CG2-CD2 4.48Å; V11-R52 HydrophobicContact CG1-CB 4.01Å; V11-P54 WeakPolarHBondContact O-CB 3.33Å; V11-F57 HydrophobicContact CB-CB 4.32Å; V11-F57 HydrophobicContact CB-CD1 4.12Å; V11-F57 HydrophobicContact CB-CG 4.14Å; V11-F57 HydrophobicContact CG1-CB 3.89Å; V11-F57 HydrophobicContact CG1-CD2 4.49Å; V11-F57 HydrophobicContact CG1-CG 4.06Å; V11-F57 HydrophobicContact CG2-CB 4.4Å; V11-F57 HydrophobicContact CG2-CD1 3.55Å; V11-F57 HydrophobicContact CG2-CD2 3.98Å; V11-F57 HydrophobicContact CG2-CE1 3.7Å; V11-F57 HydrophobicContact CG2-CE2 4.1Å; V11-F57 HydrophobicContact CG2-CG 3.69Å; V11-F57 HydrophobicContact CG2-CZ 3.98Å; V11-W87 HydrophobicContact CG1-CZ2 4.46Å; V11-W87 HydrophobicContact CG2-CH2 4.42Å |
| 12 | G | 94.3 | Very high | 89.5 | Confident | 37 Ų | 37 | 64 Ų | 64 | 38% | 0.381 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 22.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F50 R52 | G12-F50 PolarHBondContact N-O 2.82Å; G12-R52 WeakPolarHBondContact CA-O 3.39Å; G12-R52 PolarHBondContact N-O 2.84Å |
| 13 | G | 94 | Very high | 91.1 | Very high | 54 Ų | 54 | 59 Ų | 59 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | -6.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N10 V11 | N10-G13 WeakPolarHBondContact OD1-CA 3.37Å; N10-G13 PolarHBondContact OD1-N 2.87Å; V11-G13 PolarHBondContact O-N 3.43Å; V11-G13 VanDerWaalsContact O-N 3.07Å |
| 14 | V | 96.2 | Very high | 92.5 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 42% | 0.418 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.1 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | N10 V11 H16 P54 | N10-V14 WeakPolarHBondContact CA-O 3.44Å; N10-V14 PolarHBondContact OD1-N 3.38Å; V11-V14 PolarHBondContact N-O 2.8Å; V11-V14 PolarHBondContact O-N 2.89Å; V14-H16 PolarHBondContact O-CD2 2.8Å; V14-H16 VanDerWaalsContact O-CD2 3.29Å; V14-P54 HydrophobicContact CB-CB 3.83Å; V14-P54 HydrophobicContact CG2-CB 3.59Å; V14-P54 HydrophobicContact CG2-CG 4.13Å |
| 15 | R | 96.1 | Very high | 93.4 | Very high | 149 Ų | 149 | 60.7 Ų | 60.7 | 56% | 0.562 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124 | 179.1 | -68.6 | -177.2 | 175.1 | 124.5 | 4.8 | 111.5 | I8 N10 E47 | I8-R15 HydrophobicContact CG2-CB 4.34Å; I8-R15 HydrophobicContact CG2-CG 4.32Å; N10-R15 HydrophobicContact CB-CG 4.42Å; R15-E47 IonicContact CZ-OE2 2.71Å; R15-E47 IonicContact NE-OE1 3.69Å; R15-E47 IonicContact NE-OE2 2.74Å; R15-E47 PolarHBondContact NE-OE2 3.5Å; R15-E47 IonicContact NH2-OE1 3.69Å; R15-E47 IonicContact NH2-OE2 3.99Å |
| 16 | H | 95.8 | Very high | 93.7 | Very high | 22 Ų | 22 | 58 Ų | 58 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.6 | 173.6 | -58.9 | -89.3 | 0 | 0 | 0 | 110.2 | L9 V14 F57 T58 L61 | L9-H16 HydrophobicContact CB-CB 4.47Å; L9-H16 PolarHBondContact N-O 2.83Å; L9-H16 PolarHBondContact O-N 3.11Å; V14-H16 PolarHBondContact O-CD2 2.8Å; V14-H16 VanDerWaalsContact O-CD2 3.29Å; H16-F57 HydrophobicContact CB-CD1 4.42Å; H16-F57 HydrophobicContact CB-CE1 3.98Å; H16-F57 AromaticContact CD2-CD1 3.51Å; H16-F57 AromaticContact CD2-CE1 3.84Å; H16-F57 AromaticContact CG-CD1 3.82Å; H16-F57 AromaticContact CG-CE1 3.87Å; H16-F57 AromaticContact NE2-CD1 3.74Å; H16-T58 PolarHBondContact CE1-OG1 3.13Å; H16-L61 HydrophobicContact CB-CD2 3.89Å |
| 17 | E | 93.6 | Very high | 93.7 | Very high | 99 Ų | 99 | 56.3 Ų | 56.3 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.6 | 178.4 | -62.6 | -171.7 | -175.9 | 0 | 0 | 111.8 | I8 R65 | I8-E17 HydrophobicContact CG1-CG 4.3Å; E17-R65 PolarHBondContact O-NH2 2.78Å |
| 18 | T | 93.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 174.8 | 174.8 | -164.7 | 0 | 0 | 0 | 0 | 111 | R6 V7 L9 L23 L61 | R6-T18 CarbonylContact C-O 3.54Å; R6-T18 WeakPolarHBondContact CA-O 3.43Å; V7-T18 PolarHBondContact N-O 2.84Å; V7-T18 PolarHBondContact O-N 2.99Å; V7-T18 VanDerWaalsContact O-N 3.11Å; L9-T18 HydrophobicContact CD1-CG2 4.35Å; T18-L23 HydrophobicContact CG2-CD1 4.03Å; T18-L23 HydrophobicContact CG2-CD2 3.76Å; T18-L23 HydrophobicContact CG2-CG 3.83Å; T18-L61 HydrophobicContact CG2-CD1 3.96Å |
| 19 | H | 93.2 | Very high | 93.5 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 146.2 | 176.2 | -65.5 | -84.7 | 0 | 0 | 0 | 112 | N5 H21 V22 | N5-H19 CarbonylContact O-C 3.58Å; N5-H19 WeakPolarHBondContact O-CA 3.46Å; H19-H21 VanDerWaalsContact CB-CD2 3.42Å; H19-H21 WeakPolarHBondContact CB-CD2 3.2Å; H19-H21 VanDerWaalsContact CB-NE2 3.31Å; H19-H21 WeakPolarHBondContact CB-NE2 3.42Å; H19-H21 AromaticContact CG-NE2 3.79Å; H19-H21 PolarHBondContact O-N 2.87Å; H19-H21 VanDerWaalsContact O-N 3.15Å; H19-V22 HydrophobicContact CB-CG2 4.19Å; H19-V22 WeakPolarHBondContact O-CB 3.48Å; H19-V22 PolarHBondContact O-N 3.34Å |
| 20 | K | 91.1 | Very high | 93.4 | Very high | 97 Ų | 97 | 62.3 Ų | 62.3 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -50.9 | -40.6 | 178.3 | -72.4 | -179 | 178.1 | 170.9 | 0 | 112.7 | N5 V7 V22 L23 K24 | N5-K20 PolarHBondContact O-N 3.39Å; V7-K20 HydrophobicContact CG2-CB 4.39Å; V7-K20 HydrophobicContact CG2-CD 4.21Å; V7-K20 HydrophobicContact CG2-CG 3.28Å; K20-V22 VanDerWaalsContact C-N 3.31Å; K20-V22 PolarHBondContact O-N 2.85Å; K20-L23 PolarHBondContact O-N 3.29Å; K20-K24 PolarHBondContact O-N 3.18Å |
| 21 | H | 91.4 | Very high | 93.3 | Very high | 118 Ų | 118 | 61.6 Ų | 61.6 | 55% | 0.546 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.3 | -27.7 | -179.7 | 71.7 | 82 | 0 | 0 | 0 | 113.4 | H19 K24 | H19-H21 VanDerWaalsContact CB-CD2 3.42Å; H19-H21 WeakPolarHBondContact CB-CD2 3.2Å; H19-H21 VanDerWaalsContact CB-NE2 3.31Å; H19-H21 WeakPolarHBondContact CB-NE2 3.42Å; H19-H21 AromaticContact CG-NE2 3.79Å; H19-H21 PolarHBondContact O-N 2.87Å; H19-H21 VanDerWaalsContact O-N 3.15Å; H21-K24 PolarHBondContact O-N 2.75Å |
| 22 | V | 93.5 | Very high | 93 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 177.5 | 175 | 0 | 0 | 0 | 0 | 110.1 | H19 K20 K24 K25 R65 | H19-V22 HydrophobicContact CB-CG2 4.19Å; H19-V22 WeakPolarHBondContact O-CB 3.48Å; H19-V22 PolarHBondContact O-N 3.34Å; K20-V22 VanDerWaalsContact C-N 3.31Å; K20-V22 PolarHBondContact O-N 2.85Å; V22-K24 PolarHBondContact O-N 2.93Å; V22-K25 WeakPolarHBondContact O-CB 3.42Å; V22-K25 PolarHBondContact O-N 3.48Å; V22-K25 VanDerWaalsContact O-N 3.15Å; V22-R65 HydrophobicContact CG1-CB 4.46Å; V22-R65 HydrophobicContact CG1-CG 3.77Å |
| 23 | L | 93.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.5 | -20.3 | 179.2 | -58.5 | -176.7 | 0 | 0 | 0 | 113.1 | L9 T18 K20 L31 S32 L34 L61 | L9-L23 HydrophobicContact CD1-CD1 4.25Å; L9-L23 HydrophobicContact CD1-CD2 4.37Å; T18-L23 HydrophobicContact CG2-CD1 4.03Å; T18-L23 HydrophobicContact CG2-CD2 3.76Å; T18-L23 HydrophobicContact CG2-CG 3.83Å; K20-L23 PolarHBondContact O-N 3.29Å; L23-L31 HydrophobicContact CD2-CB 4.12Å; L23-L31 HydrophobicContact CD2-CD1 4.05Å; L23-S32 WeakPolarHBondContact O-CA 3.43Å; L23-S32 WeakPolarHBondContact O-CB 3.11Å; L23-L34 HydrophobicContact CD1-CD1 3.85Å; L23-L61 HydrophobicContact CD2-CD1 4.15Å |
| 24 | K | 92.8 | Very high | 92.7 | Very high | 128 Ų | 128 | 65.2 Ų | 65.2 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -10.4 | 176.5 | -63.4 | -66.6 | -177.8 | 177.4 | 0 | 113.8 | K20 H21 V22 I26 S32 | K20-K24 PolarHBondContact O-N 3.18Å; H21-K24 PolarHBondContact O-N 2.75Å; V22-K24 PolarHBondContact O-N 2.93Å; K24-I26 VanDerWaalsContact C-N 3.27Å; K24-I26 PolarHBondContact O-N 3.15Å; K24-S32 WeakPolarHBondContact CE-O 3.31Å; K24-S32 PolarHBondContact NZ-O 3.07Å |
| 25 | K | 92.2 | Very high | 92.2 | Very high | 119 Ų | 119 | 65.3 Ų | 65.3 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -61.1 | -33.8 | -179.7 | -76.5 | 176.2 | 166 | -166 | 0 | 113.2 | V22 P27 Y64 R65 | V22-K25 WeakPolarHBondContact O-CB 3.42Å; V22-K25 PolarHBondContact O-N 3.48Å; V22-K25 VanDerWaalsContact O-N 3.15Å; K25-P27 WeakPolarHBondContact O-CD 3.42Å; K25-Y64 WeakPolarHBondContact CD-O 3.37Å; K25-R65 PolarHBondContact NZ-O 3.21Å |
| 26 | I | 92.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -113.5 | 97 | 179.1 | -48.5 | 177.6 | 0 | 0 | 0 | 107.8 | K24 T29 S32 Y63 Y64 L89 | K24-I26 VanDerWaalsContact C-N 3.27Å; K24-I26 PolarHBondContact O-N 3.15Å; I26-T29 HydrophobicContact CB-CG2 4.11Å; I26-T29 HydrophobicContact CG2-CG2 3.56Å; I26-T29 WeakPolarHBondContact O-CG2 3.41Å; I26-T29 PolarHBondContact O-OG1 3.49Å; I26-S32 WeakPolarHBondContact O-CB 3.48Å; I26-Y63 HydrophobicContact CD1-CD1 3.49Å; I26-Y63 VanDerWaalsContact CD1-CD1 3.49Å; I26-Y63 HydrophobicContact CD1-CD2 4.08Å; I26-Y63 HydrophobicContact CD1-CE1 3.43Å; I26-Y63 VanDerWaalsContact CD1-CE1 3.43Å; I26-Y63 HydrophobicContact CD1-CE2 4.01Å; I26-Y63 HydrophobicContact CD1-CG 3.84Å; I26-Y64 HydrophobicContact CB-CD1 3.99Å; I26-Y64 HydrophobicContact CB-CE1 3.75Å; I26-Y64 HydrophobicContact CD1-CD1 4Å; I26-Y64 HydrophobicContact CD1-CD2 4.4Å; I26-Y64 HydrophobicContact CD1-CE1 4.25Å; I26-Y64 HydrophobicContact CD1-CG 4.08Å; I26-Y64 HydrophobicContact CG1-CD1 3.95Å; I26-Y64 HydrophobicContact CG1-CE1 4.2Å; I26-Y64 HydrophobicContact CG1-CG 4.48Å; I26-L89 HydrophobicContact CG2-CD2 4.35Å |
| 27 | P | 90.3 | Very high | 91 | Very high | 99 Ų | 99 | 70.2 Ų | 70.2 | 64% | 0.643 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 168.2 | -175.2 | 30.7 | -35.9 | 0 | 0 | 0 | 111.8 | K25 T29 | K25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-T29 PolarHBondContact O-N 2.96Å |
| 28 | A | 88.3 | Confident | 90.5 | Very high | 78 Ų | 78 | 68.3 Ų | 68.3 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -3.8 | 178 | 0 | 0 | 0 | 0 | 0 | 116.8 | S32 K33 | A28-S32 PolarHBondContact N-OG 3.39Å; A28-K33 WeakPolarHBondContact O-CE 3.25Å; A28-K33 PolarHBondContact O-NZ 3.25Å; A28-K33 VanDerWaalsContact O-NZ 3.13Å |
| 29 | T | 93.2 | Very high | 90 | Very high | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.018 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -78.7 | 166.5 | 175.5 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | I26 P27 L31 S32 K33 Y64 L89 | I26-T29 HydrophobicContact CB-CG2 4.11Å; I26-T29 HydrophobicContact CG2-CG2 3.56Å; I26-T29 WeakPolarHBondContact O-CG2 3.41Å; I26-T29 PolarHBondContact O-OG1 3.49Å; P27-T29 PolarHBondContact O-N 2.96Å; T29-L31 PolarHBondContact O-N 3.18Å; T29-S32 PolarHBondContact N-OG 3.37Å; T29-S32 PolarHBondContact O-N 3.18Å; T29-S32 PolarHBondContact O-OG 3.26Å; T29-S32 VanDerWaalsContact OG1-CB 3.25Å; T29-S32 WeakPolarHBondContact OG1-CB 3.35Å; T29-S32 PolarHBondContact OG1-N 3.34Å; T29-S32 PolarHBondContact OG1-OG 2.97Å; T29-S32 VanDerWaalsContact OG1-OG 3.11Å; T29-K33 WeakPolarHBondContact O-CG 3.43Å; T29-K33 PolarHBondContact O-N 3.17Å; T29-Y64 WeakPolarHBondContact CB-OH 3.21Å; T29-Y64 HydrophobicContact CG2-CE1 4.47Å; T29-Y64 WeakPolarHBondContact CG2-OH 3.25Å; T29-Y64 PolarHBondContact OG1-OH 3.01Å; T29-L89 HydrophobicContact CG2-CD2 3.55Å |
| 30 | R | 93 | Very high | 89.7 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -43.4 | 177.1 | -173.4 | 179.4 | -66.1 | -103.7 | 1.4 | 112.3 | K33 F86 W87 | R30-K33 PolarHBondContact O-N 3.28Å; R30-F86 PolarHBondContact NE-O 2.96Å; R30-F86 PolarHBondContact NH2-O 3.09Å; R30-F86 VanDerWaalsContact NH2-O 3.15Å; R30-W87 HydrophobicContact CB-CE3 4.41Å; R30-W87 WeakPolarHBondContact CB-O 3.33Å; R30-W87 PolarHBondContact N-O 3.09Å |
| 31 | L | 93.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -71 | -31.3 | -178.8 | -63.9 | -179.8 | 0 | 0 | 0 | 112.7 | L9 L23 T29 K33 L34 F57 Y64 W87 | L9-L31 HydrophobicContact CD1-CD2 4.18Å; L23-L31 HydrophobicContact CD2-CB 4.12Å; L23-L31 HydrophobicContact CD2-CD1 4.05Å; T29-L31 PolarHBondContact O-N 3.18Å; L31-K33 PolarHBondContact O-N 3.24Å; L31-L34 HydrophobicContact CD2-CD1 3.99Å; L31-L34 WeakPolarHBondContact O-CG 3.42Å; L31-L34 PolarHBondContact O-N 3.44Å; L31-F57 HydrophobicContact CD1-CE2 3.88Å; L31-F57 HydrophobicContact CD1-CZ 4.03Å; L31-F57 HydrophobicContact CD2-CE2 4.36Å; L31-F57 HydrophobicContact CD2-CZ 4.47Å; L31-Y64 HydrophobicContact CB-CE1 4.22Å; L31-Y64 HydrophobicContact CB-CE2 4.46Å; L31-Y64 HydrophobicContact CD1-CD2 4.1Å; L31-Y64 HydrophobicContact CD1-CE2 3.62Å; L31-Y64 HydrophobicContact CG-CE2 4.44Å; L31-W87 HydrophobicContact CD1-CE3 4.45Å; L31-W87 HydrophobicContact CD2-CE3 3.88Å; L31-W87 HydrophobicContact CD2-CH2 4.49Å; L31-W87 HydrophobicContact CD2-CZ3 3.52Å; L31-W87 HydrophobicContact CG-CE3 3.92Å; L31-W87 HydrophobicContact CG-CZ3 4.09Å |
| 32 | S | 91.1 | Very high | 89.7 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -67.7 | -18.8 | 174.4 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | L23 K24 I26 A28 T29 | L23-S32 WeakPolarHBondContact O-CA 3.43Å; L23-S32 WeakPolarHBondContact O-CB 3.11Å; K24-S32 WeakPolarHBondContact CE-O 3.31Å; K24-S32 PolarHBondContact NZ-O 3.07Å; I26-S32 WeakPolarHBondContact O-CB 3.48Å; A28-S32 PolarHBondContact N-OG 3.39Å; T29-S32 PolarHBondContact N-OG 3.37Å; T29-S32 PolarHBondContact O-N 3.18Å; T29-S32 PolarHBondContact O-OG 3.26Å; T29-S32 VanDerWaalsContact OG1-CB 3.25Å; T29-S32 WeakPolarHBondContact OG1-CB 3.35Å; T29-S32 PolarHBondContact OG1-N 3.34Å; T29-S32 PolarHBondContact OG1-OG 2.97Å; T29-S32 VanDerWaalsContact OG1-OG 3.11Å |
| 33 | K | 90.6 | Very high | 89.5 | Confident | 132 Ų | 132 | 71.7 Ų | 71.7 | 57% | 0.574 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -102.1 | 9.3 | -177 | -66.2 | 174.8 | -175.3 | 167.4 | 0 | 114 | A28 T29 R30 L31 T35 | A28-K33 WeakPolarHBondContact O-CE 3.25Å; A28-K33 PolarHBondContact O-NZ 3.25Å; A28-K33 VanDerWaalsContact O-NZ 3.13Å; T29-K33 WeakPolarHBondContact O-CG 3.43Å; T29-K33 PolarHBondContact O-N 3.17Å; R30-K33 PolarHBondContact O-N 3.28Å; L31-K33 PolarHBondContact O-N 3.24Å; K33-T35 PolarHBondContact O-N 2.82Å |
| 34 | L | 90.2 | Very high | 89.4 | Confident | 25 Ų | 25 | 77.3 Ų | 77.3 | 13% | 0.131 | 42% | 0.423 | C | S | . | . | trans | -60.2 | 130.8 | 177.8 | -65.2 | 171.8 | 0 | 0 | 0 | 110.9 | L9 L23 L31 L38 Y48 F50 | L9-L34 HydrophobicContact CD2-CD1 3.77Å; L23-L34 HydrophobicContact CD1-CD1 3.85Å; L31-L34 HydrophobicContact CD2-CD1 3.99Å; L31-L34 WeakPolarHBondContact O-CG 3.42Å; L31-L34 PolarHBondContact O-N 3.44Å; L34-L38 HydrophobicContact CD2-CD2 4.07Å; L34-Y48 HydrophobicContact CB-CE1 4.33Å; L34-Y48 HydrophobicContact CD1-CD2 4.43Å; L34-Y48 HydrophobicContact CD2-CD1 4.02Å; L34-Y48 HydrophobicContact CD2-CE1 4.19Å; L34-Y48 HydrophobicContact CD2-CG 4.35Å; L34-F50 HydrophobicContact CD2-CE2 4.39Å; L34-F50 HydrophobicContact CD2-CZ 3.87Å | ||
| 35 | T | 86.9 | Confident | 89.2 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | trans | -136.3 | 157.2 | 171 | 67.8 | 0 | 0 | 0 | 0 | 108.4 | K33 N37 L38 Y48 | K33-T35 PolarHBondContact O-N 2.82Å; T35-N37 PolarHBondContact O-N 2.85Å; T35-L38 PolarHBondContact O-N 3.39Å; T35-L38 WeakPolarHBondContact OG1-CD1 3.44Å; T35-Y48 VanDerWaalsContact C-OH 3.26Å; T35-Y48 WeakPolarHBondContact O-CE1 3.44Å; T35-Y48 PolarHBondContact O-OH 3.39Å | ||
| 36 | E | 83.4 | Confident | 89.2 | Confident | 121 Ų | 121 | 76.7 Ų | 76.7 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.5 | 178.6 | -64.8 | 175.8 | -170.5 | 0 | 0 | 112.6 | L38 Y41 Y48 | E36-L38 VanDerWaalsContact C-N 3.32Å; E36-Y41 HydrophobicContact CB-CD1 3.99Å; E36-Y41 HydrophobicContact CB-CE1 3.93Å; E36-Y41 HydrophobicContact CG-CD1 4.34Å; E36-Y41 HydrophobicContact CG-CE1 3.9Å; E36-Y41 WeakPolarHBondContact O-CD1 3.33Å; E36-Y48 PolarHBondContact N-OH 3.36Å |
| 37 | N | 82 | Confident | 89.2 | Confident | 154 Ų | 154 | 75.8 Ų | 75.8 | 82% | 0.824 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.4 | 177.5 | -62.2 | -7.2 | 0 | 0 | 0 | 113.3 | T35 | T35-N37 PolarHBondContact O-N 2.85Š|
| 38 | L | 84.1 | Confident | 89.4 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -70.1 | 139.3 | 176.1 | -96.3 | 66.9 | 0 | 0 | 0 | 110.2 | L34 T35 E36 N40 Y41 | L34-L38 HydrophobicContact CD2-CD2 4.07Å; T35-L38 PolarHBondContact O-N 3.39Å; T35-L38 WeakPolarHBondContact OG1-CD1 3.44Å; E36-L38 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.49Å; L38-Y41 WeakPolarHBondContact O-CB 3.3Å; L38-Y41 PolarHBondContact O-N 3.26Å |
| 39 | A | 82.3 | Confident | 89.7 | Confident | 104 Ų | 104 | 72.6 Ų | 72.6 | 86% | 0.86 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 40 | N | 88 | Confident | 89.8 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 0.8 | -178 | -66.1 | 21.1 | 0 | 0 | 0 | 113.1 | L38 Y48 F49 | L38-N40 PolarHBondContact O-N 3.49Å; N40-Y48 CarbonylContact O-C 3.59Å; N40-Y48 WeakPolarHBondContact O-CA 3.49Å; N40-F49 WeakPolarHBondContact CB-O 3.39Å; N40-F49 PolarHBondContact ND2-O 2.96Å; N40-F49 PolarHBondContact O-N 2.72Å |
| 41 | Y | 92.1 | Very high | 89.9 | Confident | 44 Ų | 44 | 74.1 Ų | 74.1 | 17% | 0.173 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 125.2 | 178.2 | -176.3 | -115.5 | 0 | 0 | 0 | 110.6 | E36 L38 P43 E47 Y48 | E36-Y41 HydrophobicContact CB-CD1 3.99Å; E36-Y41 HydrophobicContact CB-CE1 3.93Å; E36-Y41 HydrophobicContact CG-CD1 4.34Å; E36-Y41 HydrophobicContact CG-CE1 3.9Å; E36-Y41 WeakPolarHBondContact O-CD1 3.33Å; L38-Y41 WeakPolarHBondContact O-CB 3.3Å; L38-Y41 PolarHBondContact O-N 3.26Å; Y41-P43 HydrophobicContact CE1-CB 4.42Å; Y41-P43 WeakPolarHBondContact O-CD 3.39Å; Y41-E47 WeakPolarHBondContact CD2-O 3.34Å; Y41-Y48 AromaticContact CD2-CD1 3.76Å; Y41-Y48 HydrophobicContact CD2-CD1 3.76Å; Y41-Y48 AromaticContact CD2-CD2 3.99Å; Y41-Y48 HydrophobicContact CD2-CD2 3.99Å; Y41-Y48 AromaticContact CD2-CE1 3.48Å; Y41-Y48 HydrophobicContact CD2-CE1 3.48Å; Y41-Y48 VanDerWaalsContact CD2-CE1 3.48Å; Y41-Y48 AromaticContact CD2-CE2 3.74Å; Y41-Y48 HydrophobicContact CD2-CE2 3.74Å; Y41-Y48 HydrophobicContact CD2-CG 4Å; Y41-Y48 AromaticContact CD2-CZ 3.47Å; Y41-Y48 VanDerWaalsContact CD2-CZ 3.47Å; Y41-Y48 HydrophobicContact CE2-CD2 4.41Å; Y41-Y48 HydrophobicContact CE2-CE1 4.44Å; Y41-Y48 AromaticContact CE2-CE2 3.98Å; Y41-Y48 HydrophobicContact CE2-CE2 3.98Å; Y41-Y48 AromaticContact CE2-CZ 3.99Å; Y41-Y48 HydrophobicContact CG-CD1 4.25Å; Y41-Y48 AromaticContact CG-CE1 3.87Å; Y41-Y48 HydrophobicContact CG-CE1 3.87Å |
| 42 | D | 90.9 | Very high | 90 | Very high | 54 Ų | 54 | 77.5 Ų | 77.5 | 29% | 0.289 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110.8 | 171.6 | -176.8 | -11.1 | 0 | 0 | 0 | 109.5 | V44 L45 K46 E47 | D42-V44 VanDerWaalsContact C-N 3.27Å; D42-V44 PolarHBondContact O-N 3.48Å; D42-V44 WeakPolarHBondContact OD1-CB 3.27Å; D42-V44 PolarHBondContact OD1-N 3.47Å; D42-L45 HydrophobicContact CB-CB 4.47Å; D42-L45 PolarHBondContact OD1-N 3.49Å; D42-L45 WeakPolarHBondContact OD2-CD1 3.47Å; D42-L45 WeakPolarHBondContact OD2-CG 3.46Å; D42-K46 WeakPolarHBondContact O-CA 3.03Å; D42-K46 PolarHBondContact O-N 2.84Å; D42-E47 PolarHBondContact N-O 3.25Å; D42-E47 PolarHBondContact O-N 2.84Å |
| 43 | P | 88.8 | Confident | 90.2 | Very high | 94 Ų | 94 | 79.6 Ų | 79.6 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20 | -179 | 30.3 | -35.5 | 0 | 0 | 0 | 113.4 | Y41 | Y41-P43 HydrophobicContact CE1-CB 4.42Å; Y41-P43 WeakPolarHBondContact O-CD 3.39Å |
| 44 | V | 90.2 | Very high | 90.4 | Very high | 124 Ų | 124 | 74.8 Ų | 74.8 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -51.1 | -179.2 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | D42 K46 | D42-V44 VanDerWaalsContact C-N 3.27Å; D42-V44 PolarHBondContact O-N 3.48Å; D42-V44 WeakPolarHBondContact OD1-CB 3.27Å; D42-V44 PolarHBondContact OD1-N 3.47Å; V44-K46 VanDerWaalsContact C-N 3.35Å |
| 45 | L | 89.9 | Confident | 90.6 | Very high | 86 Ų | 86 | 77.8 Ų | 77.8 | 45% | 0.45 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.9 | 178.9 | -63.9 | -179.1 | 0 | 0 | 0 | 113.1 | D42 E47 | D42-L45 HydrophobicContact CB-CB 4.47Å; D42-L45 PolarHBondContact OD1-N 3.49Å; D42-L45 WeakPolarHBondContact OD2-CD1 3.47Å; D42-L45 WeakPolarHBondContact OD2-CG 3.46Å; L45-E47 HydrophobicContact CB-CG 3.83Å; L45-E47 PolarHBondContact O-N 2.96Å |
| 46 | K | 90.9 | Very high | 91 | Very high | 149 Ų | 149 | 74.5 Ų | 74.5 | 65% | 0.648 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 39.8 | -174.5 | -59.1 | -178.9 | 178 | -179.5 | 0 | 112.5 | D42 V44 | D42-K46 WeakPolarHBondContact O-CA 3.03Å; D42-K46 PolarHBondContact O-N 2.84Å; V44-K46 VanDerWaalsContact C-N 3.35Å |
| 47 | E | 93.7 | Very high | 91.6 | Very high | 10 Ų | 10 | 68.7 Ų | 68.7 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 156.4 | -179.4 | 71.7 | -178.2 | -157.8 | 0 | 0 | 111.9 | I8 N10 R15 Y41 D42 L45 | I8-E47 HydrophobicContact CB-CB 3.8Å; I8-E47 HydrophobicContact CG2-CB 3.73Å; I8-E47 WeakPolarHBondContact O-CA 3.39Å; N10-E47 HydrophobicContact CB-CG 4.4Å; N10-E47 PolarHBondContact ND2-OE1 3.35Å; R15-E47 IonicContact CZ-OE2 2.71Å; R15-E47 IonicContact NE-OE1 3.69Å; R15-E47 IonicContact NE-OE2 2.74Å; R15-E47 PolarHBondContact NE-OE2 3.5Å; R15-E47 IonicContact NH2-OE1 3.69Å; R15-E47 IonicContact NH2-OE2 3.99Å; Y41-E47 WeakPolarHBondContact CD2-O 3.34Å; D42-E47 PolarHBondContact N-O 3.25Å; D42-E47 PolarHBondContact O-N 2.84Å; L45-E47 HydrophobicContact CB-CG 3.83Å; L45-E47 PolarHBondContact O-N 2.96Å |
| 48 | Y | 94.3 | Very high | 92.2 | Very high | 17 Ų | 17 | 63.8 Ų | 63.8 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.4 | 171.9 | -65.2 | -88.5 | 0 | 0 | 0 | 110.1 | V7 I8 L9 N10 L34 T35 E36 N40 Y41 | V7-Y48 HydrophobicContact CG1-CD2 3.73Å; V7-Y48 HydrophobicContact CG1-CE2 3.73Å; I8-Y48 PolarHBondContact O-N 3.15Å; L9-Y48 HydrophobicContact CD2-CD2 3.93Å; L9-Y48 HydrophobicContact CD2-CG 4.24Å; N10-Y48 PolarHBondContact N-O 3.42Å; L34-Y48 HydrophobicContact CB-CE1 4.33Å; L34-Y48 HydrophobicContact CD1-CD2 4.43Å; L34-Y48 HydrophobicContact CD2-CD1 4.02Å; L34-Y48 HydrophobicContact CD2-CE1 4.19Å; L34-Y48 HydrophobicContact CD2-CG 4.35Å; T35-Y48 VanDerWaalsContact C-OH 3.26Å; T35-Y48 WeakPolarHBondContact O-CE1 3.44Å; T35-Y48 PolarHBondContact O-OH 3.39Å; E36-Y48 PolarHBondContact N-OH 3.36Å; N40-Y48 CarbonylContact O-C 3.59Å; N40-Y48 WeakPolarHBondContact O-CA 3.49Å; Y41-Y48 AromaticContact CD2-CD1 3.76Å; Y41-Y48 HydrophobicContact CD2-CD1 3.76Å; Y41-Y48 AromaticContact CD2-CD2 3.99Å; Y41-Y48 HydrophobicContact CD2-CD2 3.99Å; Y41-Y48 AromaticContact CD2-CE1 3.48Å; Y41-Y48 HydrophobicContact CD2-CE1 3.48Å; Y41-Y48 VanDerWaalsContact CD2-CE1 3.48Å; Y41-Y48 AromaticContact CD2-CE2 3.74Å; Y41-Y48 HydrophobicContact CD2-CE2 3.74Å; Y41-Y48 HydrophobicContact CD2-CG 4Å; Y41-Y48 AromaticContact CD2-CZ 3.47Å; Y41-Y48 VanDerWaalsContact CD2-CZ 3.47Å; Y41-Y48 HydrophobicContact CE2-CD2 4.41Å; Y41-Y48 HydrophobicContact CE2-CE1 4.44Å; Y41-Y48 AromaticContact CE2-CE2 3.98Å; Y41-Y48 HydrophobicContact CE2-CE2 3.98Å; Y41-Y48 AromaticContact CE2-CZ 3.99Å; Y41-Y48 HydrophobicContact CG-CD1 4.25Å; Y41-Y48 AromaticContact CG-CE1 3.87Å; Y41-Y48 HydrophobicContact CG-CE1 3.87Å |
| 49 | F | 94.8 | Very high | 92.7 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 40% | 0.404 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131.4 | 177.7 | -178.2 | -105.3 | 0 | 0 | 0 | 112.6 | N10 N40 D51 | N10-F49 HydrophobicContact CB-CD2 4.16Å; N10-F49 CarbonylContact O-C 3.52Å; N10-F49 WeakPolarHBondContact O-CA 3.48Å; N40-F49 WeakPolarHBondContact CB-O 3.39Å; N40-F49 PolarHBondContact ND2-O 2.96Å; N40-F49 PolarHBondContact O-N 2.72Å; F49-D51 HydrophobicContact CE1-CB 4.06Å; F49-D51 HydrophobicContact CZ-CB 4.27Å |
| 50 | F | 95.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 2% | 0.022 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 120.1 | 173.2 | -63.5 | -83.4 | 0 | 0 | 0 | 110.3 | N10 V11 G12 L34 R52 F86 W87 | N10-F50 PolarHBondContact O-N 3.33Å; V11-F50 CarbonylContact C-O 3.52Å; V11-F50 VanDerWaalsContact CA-O 3.3Å; V11-F50 WeakPolarHBondContact CA-O 3.34Å; V11-F50 HydrophobicContact CG2-CB 4.34Å; V11-F50 HydrophobicContact CG2-CD2 4.48Å; G12-F50 PolarHBondContact N-O 2.82Å; L34-F50 HydrophobicContact CD2-CE2 4.39Å; L34-F50 HydrophobicContact CD2-CZ 3.87Å; F50-R52 VanDerWaalsContact C-N 3.27Å; F50-R52 HydrophobicContact CB-CG 4.4Å; F50-R52 PolarHBondContact O-N 3.09Å; F50-F86 HydrophobicContact CD1-CE1 4.28Å; F50-F86 HydrophobicContact CD1-CZ 4.25Å; F50-W87 HydrophobicContact CB-CH2 3.85Å; F50-W87 HydrophobicContact CB-CZ2 4.4Å; F50-W87 AromaticContact CD1-CH2 3.86Å; F50-W87 HydrophobicContact CD1-CH2 3.86Å; F50-W87 HydrophobicContact CD1-CZ3 4.1Å; F50-W87 AromaticContact CD2-CH2 3.73Å; F50-W87 HydrophobicContact CD2-CH2 3.73Å; F50-W87 HydrophobicContact CD2-CZ3 4.16Å; F50-W87 HydrophobicContact CE1-CH2 4.35Å; F50-W87 HydrophobicContact CE1-CZ3 4.14Å; F50-W87 HydrophobicContact CE2-CH2 4.23Å; F50-W87 HydrophobicContact CE2-CZ3 4.19Å; F50-W87 AromaticContact CG-CH2 3.53Å; F50-W87 HydrophobicContact CG-CH2 3.53Å; F50-W87 HydrophobicContact CG-CZ2 4.49Å; F50-W87 HydrophobicContact CG-CZ3 4.12Å; F50-W87 HydrophobicContact CZ-CZ3 4.19Å |
| 51 | D | 95.1 | Very high | 93.8 | Very high | 135 Ų | 135 | 55.2 Ų | 55.2 | 72% | 0.722 | 28% | 0.283 | S | S | * | . | trans | -80.7 | 72.5 | 174.9 | -171.1 | 24.6 | 0 | 0 | 0 | 110.8 | F49 | F49-D51 HydrophobicContact CE1-CB 4.06Å; F49-D51 HydrophobicContact CZ-CB 4.27Å | ||
| 52 | R | 95 | Very high | 93.9 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 28% | 0.275 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -137.8 | 176.1 | -177 | -60.4 | -58.1 | -60 | -163.9 | 2.8 | 110.9 | V11 G12 F50 P54 E83 F86 W87 | V11-R52 HydrophobicContact CG1-CB 4.01Å; G12-R52 WeakPolarHBondContact CA-O 3.39Å; G12-R52 PolarHBondContact N-O 2.84Å; F50-R52 VanDerWaalsContact C-N 3.27Å; F50-R52 HydrophobicContact CB-CG 4.4Å; F50-R52 PolarHBondContact O-N 3.09Å; R52-P54 VanDerWaalsContact O-CD 3.27Å; R52-P54 WeakPolarHBondContact O-CD 3.45Å; R52-E83 IonicContact CZ-OE1 2.88Å; R52-E83 IonicContact NE-OE1 3.46Å; R52-E83 PolarHBondContact NE-OE1 3.21Å; R52-E83 IonicContact NE-OE2 3.67Å; R52-E83 IonicContact NH2-OE1 3.47Å; R52-E83 PolarHBondContact NH2-OE1 3.43Å; R52-F86 HydrophobicContact CG-CD1 4.04Å; R52-F86 HydrophobicContact CG-CE1 3.69Å; R52-F86 HydrophobicContact CG-CZ 4.04Å; R52-W87 HydrophobicContact CB-CZ2 4.24Å; R52-W87 HydrophobicContact CG-CZ2 4.21Å |
| 53 | H | 95.2 | Very high | 94.1 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 25% | 0.25 | 28% | 0.278 | C | S | . | . | trans | -68.6 | 113.8 | -175.8 | -163.6 | -50.2 | 0 | 0 | 0 | 112.5 | D55 V56 F57 E83 | H53-D55 IonicContact CE1-OD2 3.9Å; H53-D55 PolarHBondContact CE1-OD2 3.42Å; H53-D55 PolarHBondContact ND1-N 3.38Å; H53-D55 PolarHBondContact O-N 3.09Å; H53-V56 HydrophobicContact CB-CB 4.22Å; H53-V56 HydrophobicContact CB-CG2 4.28Å; H53-V56 PolarHBondContact ND1-N 3.01Å; H53-F57 WeakPolarHBondContact O-CB 3.32Å; H53-F57 PolarHBondContact O-N 3.28Å; H53-E83 HydrophobicContact CB-CG 4.5Å | ||
| 54 | P | 95.2 | Very high | 94.5 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 20% | 0.195 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | -175.9 | 21.7 | -31.2 | 0 | 0 | 0 | 113.4 | V11 V14 R52 F57 T58 | V11-P54 WeakPolarHBondContact O-CB 3.33Å; V14-P54 HydrophobicContact CB-CB 3.83Å; V14-P54 HydrophobicContact CG2-CB 3.59Å; V14-P54 HydrophobicContact CG2-CG 4.13Å; R52-P54 VanDerWaalsContact O-CD 3.27Å; R52-P54 WeakPolarHBondContact O-CD 3.45Å; P54-F57 WeakPolarHBondContact O-CB 3.11Å; P54-F57 PolarHBondContact O-N 3.43Å; P54-T58 PolarHBondContact O-N 3.47Å; P54-T58 PolarHBondContact O-OG1 3.3Å |
| 55 | D | 93.7 | Very high | 94.7 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.2 | -42.7 | -176.1 | -54 | -33.8 | 0 | 0 | 0 | 112.8 | H53 F57 T58 | H53-D55 IonicContact CE1-OD2 3.9Å; H53-D55 PolarHBondContact CE1-OD2 3.42Å; H53-D55 PolarHBondContact ND1-N 3.38Å; H53-D55 PolarHBondContact O-N 3.09Å; D55-F57 VanDerWaalsContact C-N 3.29Å; D55-F57 PolarHBondContact O-N 3.23Å; D55-T58 VanDerWaalsContact O-CB 3.25Å; D55-T58 WeakPolarHBondContact O-CB 3.23Å; D55-T58 PolarHBondContact O-N 3.31Å |
| 56 | V | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | H53 T58 Q59 I60 P72 V75 L79 F80 E83 | H53-V56 HydrophobicContact CB-CB 4.22Å; H53-V56 HydrophobicContact CB-CG2 4.28Å; H53-V56 PolarHBondContact ND1-N 3.01Å; V56-T58 PolarHBondContact O-N 3.35Å; V56-T58 VanDerWaalsContact O-N 3.17Å; V56-Q59 WeakPolarHBondContact O-CB 3.49Å; V56-Q59 PolarHBondContact O-N 3Å; V56-I60 HydrophobicContact CG1-CD1 4.13Å; V56-I60 HydrophobicContact CG1-CG1 4.46Å; V56-I60 PolarHBondContact O-N 3.17Å; V56-P72 HydrophobicContact CG2-CG 4.5Å; V56-V75 HydrophobicContact CG2-CB 4.5Å; V56-V75 HydrophobicContact CG2-CG1 3.93Å; V56-V75 HydrophobicContact CG2-CG2 4.16Å; V56-L79 HydrophobicContact CG2-CD2 3.74Å; V56-F80 HydrophobicContact CG1-CD2 3.54Å; V56-F80 HydrophobicContact CG1-CE2 3.84Å; V56-E83 HydrophobicContact CB-CG 4.28Å; V56-E83 HydrophobicContact CG1-CB 3.77Å; V56-E83 HydrophobicContact CG1-CG 3.8Å |
| 57 | F | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -29.6 | 177.9 | -175.9 | -100.1 | 0 | 0 | 0 | 112.9 | L9 V11 H16 L31 H53 P54 D55 Q59 I60 L61 W87 | L9-F57 HydrophobicContact CB-CE1 4.31Å; L9-F57 HydrophobicContact CB-CZ 4.31Å; L9-F57 HydrophobicContact CD1-CE1 4.25Å; L9-F57 HydrophobicContact CD1-CZ 3.73Å; V11-F57 HydrophobicContact CB-CB 4.32Å; V11-F57 HydrophobicContact CB-CD1 4.12Å; V11-F57 HydrophobicContact CB-CG 4.14Å; V11-F57 HydrophobicContact CG1-CB 3.89Å; V11-F57 HydrophobicContact CG1-CD2 4.49Å; V11-F57 HydrophobicContact CG1-CG 4.06Å; V11-F57 HydrophobicContact CG2-CB 4.4Å; V11-F57 HydrophobicContact CG2-CD1 3.55Å; V11-F57 HydrophobicContact CG2-CD2 3.98Å; V11-F57 HydrophobicContact CG2-CE1 3.7Å; V11-F57 HydrophobicContact CG2-CE2 4.1Å; V11-F57 HydrophobicContact CG2-CG 3.69Å; V11-F57 HydrophobicContact CG2-CZ 3.98Å; H16-F57 HydrophobicContact CB-CD1 4.42Å; H16-F57 HydrophobicContact CB-CE1 3.98Å; H16-F57 AromaticContact CD2-CD1 3.51Å; H16-F57 AromaticContact CD2-CE1 3.84Å; H16-F57 AromaticContact CG-CD1 3.82Å; H16-F57 AromaticContact CG-CE1 3.87Å; H16-F57 AromaticContact NE2-CD1 3.74Å; L31-F57 HydrophobicContact CD1-CE2 3.88Å; L31-F57 HydrophobicContact CD1-CZ 4.03Å; L31-F57 HydrophobicContact CD2-CE2 4.36Å; L31-F57 HydrophobicContact CD2-CZ 4.47Å; H53-F57 WeakPolarHBondContact O-CB 3.32Å; H53-F57 PolarHBondContact O-N 3.28Å; P54-F57 WeakPolarHBondContact O-CB 3.11Å; P54-F57 PolarHBondContact O-N 3.43Å; D55-F57 VanDerWaalsContact C-N 3.29Å; D55-F57 PolarHBondContact O-N 3.23Å; F57-Q59 VanDerWaalsContact C-N 3.28Å; F57-Q59 PolarHBondContact O-N 3.45Å; F57-I60 HydrophobicContact CD2-CB 4.36Å; F57-I60 HydrophobicContact CD2-CG2 4.28Å; F57-I60 HydrophobicContact CE2-CG2 4.34Å; F57-I60 WeakPolarHBondContact O-CB 3.44Å; F57-I60 PolarHBondContact O-N 3.21Å; F57-I60 VanDerWaalsContact O-N 3.17Å; F57-L61 HydrophobicContact CE1-CB 4.22Å; F57-L61 HydrophobicContact CE1-CD2 4.41Å; F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 PolarHBondContact O-N 3.36Å; F57-W87 HydrophobicContact CD2-CD2 4.3Å; F57-W87 AromaticContact CD2-CE2 3.64Å; F57-W87 AromaticContact CD2-CH2 3.8Å; F57-W87 HydrophobicContact CD2-CH2 3.8Å; F57-W87 AromaticContact CD2-CZ2 3.37Å; F57-W87 HydrophobicContact CD2-CZ2 3.37Å; F57-W87 HydrophobicContact CD2-CZ3 4.45Å; F57-W87 HydrophobicContact CE2-CD2 4.27Å; F57-W87 AromaticContact CE2-CE2 3.99Å; F57-W87 HydrophobicContact CE2-CE3 4.21Å; F57-W87 AromaticContact CE2-CH2 3.55Å; F57-W87 HydrophobicContact CE2-CH2 3.55Å; F57-W87 AromaticContact CE2-CZ2 3.64Å; F57-W87 HydrophobicContact CE2-CZ2 3.64Å; F57-W87 AromaticContact CE2-CZ3 3.88Å; F57-W87 HydrophobicContact CE2-CZ3 3.88Å; F57-W87 HydrophobicContact CG-CZ2 4.4Å |
| 58 | T | 95.2 | Very high | 95.1 | Very high | 51 Ų | 51 | 48.9 Ų | 48.9 | 31% | 0.313 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.2 | -41.2 | 173.6 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | H16 P54 D55 V56 N62 | H16-T58 PolarHBondContact CE1-OG1 3.13Å; P54-T58 PolarHBondContact O-N 3.47Å; P54-T58 PolarHBondContact O-OG1 3.3Å; D55-T58 VanDerWaalsContact O-CB 3.25Å; D55-T58 WeakPolarHBondContact O-CB 3.23Å; D55-T58 PolarHBondContact O-N 3.31Å; V56-T58 PolarHBondContact O-N 3.35Å; V56-T58 VanDerWaalsContact O-N 3.17Å; T58-N62 WeakPolarHBondContact O-CB 3.3Å; T58-N62 VanDerWaalsContact O-CG 3.23Å; T58-N62 PolarHBondContact O-N 2.92Å; T58-N62 PolarHBondContact O-ND2 2.83Å |
| 59 | Q | 94.5 | Very high | 95.2 | Very high | 52 Ų | 52 | 48 Ų | 48 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.1 | -36.8 | 176.4 | -61.4 | -56.7 | -19.5 | 0 | 0 | 112.3 | V56 F57 N62 Y63 P72 | V56-Q59 WeakPolarHBondContact O-CB 3.49Å; V56-Q59 PolarHBondContact O-N 3Å; F57-Q59 VanDerWaalsContact C-N 3.28Å; F57-Q59 PolarHBondContact O-N 3.45Å; Q59-N62 PolarHBondContact O-N 2.82Å; Q59-Y63 PolarHBondContact O-N 2.7Å; Q59-P72 HydrophobicContact CG-CB 4.06Å; Q59-P72 HydrophobicContact CG-CG 3.96Å |
| 60 | I | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 175 | -66.3 | -177.7 | 0 | 0 | 0 | 110.2 | V56 F57 N62 Y63 Y64 E83 L84 W87 L89 | V56-I60 HydrophobicContact CG1-CD1 4.13Å; V56-I60 HydrophobicContact CG1-CG1 4.46Å; V56-I60 PolarHBondContact O-N 3.17Å; F57-I60 HydrophobicContact CD2-CB 4.36Å; F57-I60 HydrophobicContact CD2-CG2 4.28Å; F57-I60 HydrophobicContact CE2-CG2 4.34Å; F57-I60 WeakPolarHBondContact O-CB 3.44Å; F57-I60 PolarHBondContact O-N 3.21Å; F57-I60 VanDerWaalsContact O-N 3.17Å; I60-N62 VanDerWaalsContact C-N 3.33Å; I60-N62 PolarHBondContact O-N 3.18Å; I60-Y63 VanDerWaalsContact O-CB 3.32Å; I60-Y63 WeakPolarHBondContact O-CB 3.48Å; I60-Y63 PolarHBondContact O-N 3.33Å; I60-Y63 VanDerWaalsContact O-N 3.13Å; I60-Y64 HydrophobicContact CG2-CE2 4.06Å; I60-Y64 VanDerWaalsContact O-CD2 3.23Å; I60-Y64 WeakPolarHBondContact O-CD2 3.47Å; I60-Y64 PolarHBondContact O-N 2.79Å; I60-E83 HydrophobicContact CD1-CB 4.21Å; I60-L84 HydrophobicContact CG1-CD2 4.47Å; I60-W87 HydrophobicContact CD1-CB 4.44Å; I60-W87 HydrophobicContact CD1-CG 3.84Å; I60-W87 HydrophobicContact CG2-CB 4.45Å; I60-W87 HydrophobicContact CG2-CG 4.24Å; I60-L89 HydrophobicContact CB-CD1 4.46Å; I60-L89 HydrophobicContact CG1-CD1 4.32Å; I60-L89 HydrophobicContact CG2-CD1 3.77Å |
| 61 | L | 96 | Very high | 95.2 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 177.3 | -176.5 | 59.7 | 0 | 0 | 0 | 112 | H16 T18 L23 F57 Y63 Y64 R65 | H16-L61 HydrophobicContact CB-CD2 3.89Å; T18-L61 HydrophobicContact CG2-CD1 3.96Å; L23-L61 HydrophobicContact CD2-CD1 4.15Å; F57-L61 HydrophobicContact CE1-CB 4.22Å; F57-L61 HydrophobicContact CE1-CD2 4.41Å; F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 PolarHBondContact O-N 3.36Å; L61-Y63 VanDerWaalsContact C-N 3.27Å; L61-Y63 PolarHBondContact O-N 2.97Å; L61-Y64 PolarHBondContact O-N 2.9Å; L61-R65 WeakPolarHBondContact O-CG 3.44Å; L61-R65 PolarHBondContact O-N 2.88Å; L61-R65 VanDerWaalsContact O-N 3.09Å |
| 62 | N | 95.2 | Very high | 95.1 | Very high | 50 Ų | 50 | 41.5 Ų | 41.5 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.5 | -37.6 | 173.3 | -75.6 | -19.7 | 0 | 0 | 0 | 111.7 | T58 Q59 I60 Y64 R65 T66 | T58-N62 WeakPolarHBondContact O-CB 3.3Å; T58-N62 VanDerWaalsContact O-CG 3.23Å; T58-N62 PolarHBondContact O-N 2.92Å; T58-N62 PolarHBondContact O-ND2 2.83Å; Q59-N62 PolarHBondContact O-N 2.82Å; I60-N62 VanDerWaalsContact C-N 3.33Å; I60-N62 PolarHBondContact O-N 3.18Å; N62-Y64 PolarHBondContact O-N 2.97Å; N62-R65 WeakPolarHBondContact O-CA 3.39Å; N62-R65 WeakPolarHBondContact O-CB 3.38Å; N62-R65 PolarHBondContact O-N 3.45Å; N62-T66 PolarHBondContact O-N 3.21Å; N62-T66 PolarHBondContact O-OG1 3.46Å |
| 63 | Y | 96.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 44.2 Ų | 44.2 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 174.6 | 179 | -142.9 | 0 | 0 | 0 | 112.4 | I26 Q59 I60 L61 R65 G67 K68 L69 L89 | I26-Y63 HydrophobicContact CD1-CD1 3.49Å; I26-Y63 VanDerWaalsContact CD1-CD1 3.49Å; I26-Y63 HydrophobicContact CD1-CD2 4.08Å; I26-Y63 HydrophobicContact CD1-CE1 3.43Å; I26-Y63 VanDerWaalsContact CD1-CE1 3.43Å; I26-Y63 HydrophobicContact CD1-CE2 4.01Å; I26-Y63 HydrophobicContact CD1-CG 3.84Å; Q59-Y63 PolarHBondContact O-N 2.7Å; I60-Y63 VanDerWaalsContact O-CB 3.32Å; I60-Y63 WeakPolarHBondContact O-CB 3.48Å; I60-Y63 PolarHBondContact O-N 3.33Å; I60-Y63 VanDerWaalsContact O-N 3.13Å; L61-Y63 VanDerWaalsContact C-N 3.27Å; L61-Y63 PolarHBondContact O-N 2.97Å; Y63-R65 VanDerWaalsContact C-N 3.28Å; Y63-R65 PolarHBondContact O-N 3.11Å; Y63-G67 WeakPolarHBondContact CE2-O 3.43Å; Y63-G67 WeakPolarHBondContact O-CA 3.39Å; Y63-G67 PolarHBondContact O-N 2.83Å; Y63-K68 VanDerWaalsContact CD2-C 3.42Å; Y63-L69 HydrophobicContact CD1-CB 4.16Å; Y63-L69 HydrophobicContact CD1-CD1 3.92Å; Y63-L69 HydrophobicContact CD1-CG 4.43Å; Y63-L69 HydrophobicContact CD2-CB 3.73Å; Y63-L69 HydrophobicContact CE1-CB 4.34Å; Y63-L69 HydrophobicContact CE1-CD2 4.48Å; Y63-L69 HydrophobicContact CE2-CB 3.97Å; Y63-L69 HydrophobicContact CG-CB 3.84Å; Y63-L69 HydrophobicContact CG-CD1 3.9Å; Y63-L69 HydrophobicContact CG-CG 4.41Å; Y63-L89 HydrophobicContact CD1-CD1 3.9Å; Y63-L89 HydrophobicContact CD1-CD2 4.05Å; Y63-L89 HydrophobicContact CE1-CD1 4.41Å; Y63-L89 HydrophobicContact CE1-CD2 3.93Å |
| 64 | Y | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -34.8 | 172.3 | -72.4 | -96 | 0 | 0 | 0 | 112.4 | K25 I26 T29 L31 I60 L61 N62 L89 | K25-Y64 WeakPolarHBondContact CD-O 3.37Å; I26-Y64 HydrophobicContact CB-CD1 3.99Å; I26-Y64 HydrophobicContact CB-CE1 3.75Å; I26-Y64 HydrophobicContact CD1-CD1 4Å; I26-Y64 HydrophobicContact CD1-CD2 4.4Å; I26-Y64 HydrophobicContact CD1-CE1 4.25Å; I26-Y64 HydrophobicContact CD1-CG 4.08Å; I26-Y64 HydrophobicContact CG1-CD1 3.95Å; I26-Y64 HydrophobicContact CG1-CE1 4.2Å; I26-Y64 HydrophobicContact CG1-CG 4.48Å; T29-Y64 WeakPolarHBondContact CB-OH 3.21Å; T29-Y64 HydrophobicContact CG2-CE1 4.47Å; T29-Y64 WeakPolarHBondContact CG2-OH 3.25Å; T29-Y64 PolarHBondContact OG1-OH 3.01Å; L31-Y64 HydrophobicContact CB-CE1 4.22Å; L31-Y64 HydrophobicContact CB-CE2 4.46Å; L31-Y64 HydrophobicContact CD1-CD2 4.1Å; L31-Y64 HydrophobicContact CD1-CE2 3.62Å; L31-Y64 HydrophobicContact CG-CE2 4.44Å; I60-Y64 HydrophobicContact CG2-CE2 4.06Å; I60-Y64 VanDerWaalsContact O-CD2 3.23Å; I60-Y64 WeakPolarHBondContact O-CD2 3.47Å; I60-Y64 PolarHBondContact O-N 2.79Å; L61-Y64 PolarHBondContact O-N 2.9Å; N62-Y64 PolarHBondContact O-N 2.97Å; Y64-L89 HydrophobicContact CE2-CD1 4.46Å; Y64-L89 HydrophobicContact CE2-CD2 4.26Å |
| 65 | R | 95.3 | Very high | 94.4 | Very high | 106 Ų | 106 | 46.8 Ų | 46.8 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.9 | -49.3 | -178.9 | -71.2 | 170 | 174.1 | 171.5 | -4.3 | 111.9 | E17 V22 K25 L61 N62 Y63 | E17-R65 PolarHBondContact O-NH2 2.78Å; V22-R65 HydrophobicContact CG1-CB 4.46Å; V22-R65 HydrophobicContact CG1-CG 3.77Å; K25-R65 PolarHBondContact NZ-O 3.21Å; L61-R65 WeakPolarHBondContact O-CG 3.44Å; L61-R65 PolarHBondContact O-N 2.88Å; L61-R65 VanDerWaalsContact O-N 3.09Å; N62-R65 WeakPolarHBondContact O-CA 3.39Å; N62-R65 WeakPolarHBondContact O-CB 3.38Å; N62-R65 PolarHBondContact O-N 3.45Å; Y63-R65 VanDerWaalsContact C-N 3.28Å; Y63-R65 PolarHBondContact O-N 3.11Å |
| 66 | T | 94.6 | Very high | 94.3 | Very high | 89 Ų | 89 | 46 Ų | 46 | 55% | 0.546 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -98.1 | -23.9 | -169.9 | 64.2 | 0 | 0 | 0 | 0 | 113.7 | N62 K68 | N62-T66 PolarHBondContact O-N 3.21Å; N62-T66 PolarHBondContact O-OG1 3.46Å; T66-K68 VanDerWaalsContact C-N 3.26Å; T66-K68 PolarHBondContact OG1-N 3.17Å; T66-K68 VanDerWaalsContact OG1-N 3.09Å; T66-K68 PolarHBondContact OG1-O 3.31Å |
| 67 | G | 93.5 | Very high | 94.1 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 49% | 0.485 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 77.1 | 8.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y63 | Y63-G67 WeakPolarHBondContact CE2-O 3.43Å; Y63-G67 WeakPolarHBondContact O-CA 3.39Å; Y63-G67 PolarHBondContact O-N 2.83Å |
| 68 | K | 95 | Very high | 93.9 | Very high | 111 Ų | 111 | 48.1 Ų | 48.1 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | trans | -119.7 | 124.3 | 179.7 | -60.3 | -166.3 | 177.9 | -172.8 | 0 | 111.3 | Y63 T66 E95 | Y63-K68 VanDerWaalsContact CD2-C 3.42Å; T66-K68 VanDerWaalsContact C-N 3.26Å; T66-K68 PolarHBondContact OG1-N 3.17Å; T66-K68 VanDerWaalsContact OG1-N 3.09Å; T66-K68 PolarHBondContact OG1-O 3.31Å; K68-E95 HydrophobicContact CB-CG 3.86Å; K68-E95 WeakPolarHBondContact CB-OE1 3.46Å; K68-E95 VanDerWaalsContact CG-OE1 3.3Å; K68-E95 WeakPolarHBondContact CG-OE1 3.47Å | ||
| 69 | L | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -96.3 | 113.8 | -176.9 | -177.9 | 63.3 | 0 | 0 | 0 | 110.7 | Y63 F80 L84 Q93 V94 E95 | Y63-L69 HydrophobicContact CD1-CB 4.16Å; Y63-L69 HydrophobicContact CD1-CD1 3.92Å; Y63-L69 HydrophobicContact CD1-CG 4.43Å; Y63-L69 HydrophobicContact CD2-CB 3.73Å; Y63-L69 HydrophobicContact CE1-CB 4.34Å; Y63-L69 HydrophobicContact CE1-CD2 4.48Å; Y63-L69 HydrophobicContact CE2-CB 3.97Å; Y63-L69 HydrophobicContact CG-CB 3.84Å; Y63-L69 HydrophobicContact CG-CD1 3.9Å; Y63-L69 HydrophobicContact CG-CG 4.41Å; L69-F80 HydrophobicContact CD1-CZ 4.1Å; L69-L84 HydrophobicContact CD1-CD2 4.13Å; L69-L84 HydrophobicContact CD2-CD1 4.18Å; L69-L84 HydrophobicContact CD2-CD2 4Å; L69-Q93 WeakPolarHBondContact CB-O 3.49Å; L69-Q93 HydrophobicContact CD2-CB 4.35Å; L69-V94 HydrophobicContact CD2-CG2 3.74Å; L69-V94 HydrophobicContact CG-CG2 4.11Å; L69-V94 WeakPolarHBondContact O-CA 3.38Å; L69-E95 PolarHBondContact O-N 3.4Å |
| 70 | H | 95.4 | Very high | 93.9 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | trans | -106.6 | 144.2 | 178.5 | -65.8 | -72.5 | 0 | 0 | 0 | 111.7 | C97 | H70-C97 PolarHBondContact ND1-SG 3.48Å; H70-C97 VanDerWaalsContact ND1-SG 3.44Å | ||
| 71 | Y | 94.7 | Very high | 93.8 | Very high | 19 Ų | 19 | 48 Ų | 48 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | trans | -88.3 | 125.6 | 177.4 | 178.7 | -106.9 | 0 | 0 | 0 | 111.3 | V75 C76 G77 F80 C98 T101 Y102 | Y71-V75 PolarHBondContact OH-O 3.44Å; Y71-C76 WeakPolarHBondContact OH-CA 2.97Å; Y71-G77 WeakPolarHBondContact OH-CA 3.42Å; Y71-G77 PolarHBondContact OH-N 2.86Å; Y71-F80 HydrophobicContact CD2-CB 4.17Å; Y71-F80 AromaticContact CD2-CD1 3.56Å; Y71-F80 HydrophobicContact CD2-CD1 3.56Å; Y71-F80 HydrophobicContact CD2-CD2 4.49Å; Y71-F80 AromaticContact CD2-CE1 3.97Å; Y71-F80 HydrophobicContact CD2-CE1 3.97Å; Y71-F80 AromaticContact CD2-CG 3.83Å; Y71-F80 HydrophobicContact CD2-CG 3.83Å; Y71-F80 HydrophobicContact CE2-CB 3.75Å; Y71-F80 HydrophobicContact CE2-CD1 4.02Å; Y71-F80 AromaticContact CE2-CG 3.95Å; Y71-F80 HydrophobicContact CE2-CG 3.95Å; Y71-C98 PolarHBondContact N-SG 3.46Å; Y71-T101 HydrophobicContact CD1-CG2 4.05Å; Y71-T101 HydrophobicContact CE1-CG2 3.79Å; Y71-Y102 AromaticContact CD2-CD2 3.67Å; Y71-Y102 HydrophobicContact CD2-CD2 3.67Å; Y71-Y102 HydrophobicContact CD2-CG 4.34Å; Y71-Y102 AromaticContact CE2-CD2 3.96Å; Y71-Y102 HydrophobicContact CE2-CD2 3.96Å; Y71-Y102 HydrophobicContact CG-CD2 4.37Å | ||
| 72 | P | 93 | Very high | 93.7 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -72.9 | 133.2 | 175.1 | 19.7 | -20.1 | 0 | 0 | 0 | 112.6 | V56 Q59 N74 V75 F80 | V56-P72 HydrophobicContact CG2-CG 4.5Å; Q59-P72 HydrophobicContact CG-CB 4.06Å; Q59-P72 HydrophobicContact CG-CG 3.96Å; P72-N74 VanDerWaalsContact C-N 3.35Å; P72-N74 WeakPolarHBondContact CB-OD1 3.43Å; P72-N74 PolarHBondContact O-N 2.98Å; P72-V75 HydrophobicContact CB-CG2 4.14Å; P72-V75 HydrophobicContact CG-CG2 3.64Å; P72-F80 HydrophobicContact CG-CD2 3.96Å; P72-F80 HydrophobicContact CG-CE2 4.03Å | ||
| 73 | T | 87.7 | Confident | 93.7 | Very high | 130 Ų | 130 | 51.6 Ų | 51.6 | 80% | 0.798 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11 | -175.2 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 74 | N | 90.8 | Very high | 93.7 | Very high | 115 Ų | 115 | 50.5 Ų | 50.5 | 62% | 0.615 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -0.1 | -176.8 | 64 | -35.4 | 0 | 0 | 0 | 113.9 | P72 | P72-N74 VanDerWaalsContact C-N 3.35Å; P72-N74 WeakPolarHBondContact CB-OD1 3.43Å; P72-N74 PolarHBondContact O-N 2.98Å |
| 75 | V | 92.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -123.3 | 167.6 | 177.7 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | V56 Y71 P72 L79 | V56-V75 HydrophobicContact CG2-CB 4.5Å; V56-V75 HydrophobicContact CG2-CG1 3.93Å; V56-V75 HydrophobicContact CG2-CG2 4.16Å; Y71-V75 PolarHBondContact OH-O 3.44Å; P72-V75 HydrophobicContact CB-CG2 4.14Å; P72-V75 HydrophobicContact CG-CG2 3.64Å; V75-L79 HydrophobicContact CB-CD2 4.27Å; V75-L79 HydrophobicContact CG1-CD2 4.41Å |
| 76 | C | 91.6 | Very high | 93.7 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 49% | 0.486 | 30% | 0.303 | S | S | . | . | trans | -90.4 | 150.9 | 174.6 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | Y71 L79 F80 | Y71-C76 WeakPolarHBondContact OH-CA 2.97Å; C76-L79 PolarHBondContact O-N 3.48Å; C76-L79 VanDerWaalsContact SG-CB 3.57Å; C76-F80 PolarHBondContact O-N 3.39Å | ||
| 77 | G | 91.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y71 L79 F80 E81 H105 | Y71-G77 WeakPolarHBondContact OH-CA 3.42Å; Y71-G77 PolarHBondContact OH-N 2.86Å; G77-L79 VanDerWaalsContact C-N 3.31Å; G77-L79 PolarHBondContact O-N 3.28Å; G77-F80 WeakPolarHBondContact O-CB 3.44Å; G77-F80 PolarHBondContact O-N 3.32Å; G77-F80 VanDerWaalsContact O-N 3.09Å; G77-E81 PolarHBondContact O-N 3.23Å; G77-H105 VanDerWaalsContact CA-CD2 3.48Å; G77-H105 WeakPolarHBondContact CA-CD2 3.43Å |
| 78 | P | 92.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 176.9 | -25.6 | 35.4 | 0 | 0 | 0 | 113.5 | F80 E81 E82 H105 | P78-F80 VanDerWaalsContact C-N 3.32Å; P78-F80 PolarHBondContact O-N 3.3Å; P78-E81 PolarHBondContact O-N 3.15Å; P78-E82 WeakPolarHBondContact O-CG 3.46Å; P78-E82 PolarHBondContact O-N 2.7Å; P78-H105 HydrophobicContact CG-CB 4.33Å |
| 79 | L | 93.5 | Very high | 93.8 | Very high | 53 Ų | 53 | 46.4 Ų | 46.4 | 28% | 0.277 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 176.2 | -178 | 154.6 | 0 | 0 | 0 | 110.7 | V56 V75 C76 G77 E82 E83 | V56-L79 HydrophobicContact CG2-CD2 3.74Å; V75-L79 HydrophobicContact CB-CD2 4.27Å; V75-L79 HydrophobicContact CG1-CD2 4.41Å; C76-L79 PolarHBondContact O-N 3.48Å; C76-L79 VanDerWaalsContact SG-CB 3.57Å; G77-L79 VanDerWaalsContact C-N 3.31Å; G77-L79 PolarHBondContact O-N 3.28Å; L79-E82 PolarHBondContact O-N 2.89Å; L79-E83 HydrophobicContact CD2-CG 4.43Å; L79-E83 PolarHBondContact O-N 2.95Å; L79-E83 VanDerWaalsContact O-N 3.11Å |
| 80 | F | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 176.4 | -171.1 | -112.9 | 0 | 0 | 0 | 112.2 | V56 L69 Y71 P72 C76 G77 P78 E83 L84 V94 Y102 | V56-F80 HydrophobicContact CG1-CD2 3.54Å; V56-F80 HydrophobicContact CG1-CE2 3.84Å; L69-F80 HydrophobicContact CD1-CZ 4.1Å; Y71-F80 HydrophobicContact CD2-CB 4.17Å; Y71-F80 AromaticContact CD2-CD1 3.56Å; Y71-F80 HydrophobicContact CD2-CD1 3.56Å; Y71-F80 HydrophobicContact CD2-CD2 4.49Å; Y71-F80 AromaticContact CD2-CE1 3.97Å; Y71-F80 HydrophobicContact CD2-CE1 3.97Å; Y71-F80 AromaticContact CD2-CG 3.83Å; Y71-F80 HydrophobicContact CD2-CG 3.83Å; Y71-F80 HydrophobicContact CE2-CB 3.75Å; Y71-F80 HydrophobicContact CE2-CD1 4.02Å; Y71-F80 AromaticContact CE2-CG 3.95Å; Y71-F80 HydrophobicContact CE2-CG 3.95Å; P72-F80 HydrophobicContact CG-CD2 3.96Å; P72-F80 HydrophobicContact CG-CE2 4.03Å; C76-F80 PolarHBondContact O-N 3.39Å; G77-F80 WeakPolarHBondContact O-CB 3.44Å; G77-F80 PolarHBondContact O-N 3.32Å; G77-F80 VanDerWaalsContact O-N 3.09Å; P78-F80 VanDerWaalsContact C-N 3.32Å; P78-F80 PolarHBondContact O-N 3.3Å; F80-E83 PolarHBondContact O-N 3.05Å; F80-L84 HydrophobicContact CD1-CD1 3.76Å; F80-L84 HydrophobicContact CD1-CG 4.16Å; F80-L84 HydrophobicContact CE1-CD1 3.52Å; F80-L84 HydrophobicContact CE1-CD2 4.24Å; F80-L84 HydrophobicContact CE1-CG 3.98Å; F80-L84 HydrophobicContact CZ-CD1 4.19Å; F80-L84 HydrophobicContact CZ-CD2 4.05Å; F80-L84 HydrophobicContact CZ-CG 4.21Å; F80-L84 WeakPolarHBondContact O-CG 3.44Å; F80-L84 PolarHBondContact O-N 3.11Å; F80-V94 HydrophobicContact CE1-CG2 4.28Å; F80-Y102 HydrophobicContact CD1-CD2 4.04Å; F80-Y102 AromaticContact CD1-CE2 3.87Å; F80-Y102 HydrophobicContact CD1-CE2 3.87Å |
| 81 | E | 93.6 | Very high | 93.3 | Very high | 48 Ų | 48 | 48 Ų | 48 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -46.4 | 173.6 | -76.7 | -179.2 | 161.8 | 0 | 0 | 112.3 | G77 P78 E83 L84 E85 Y102 H105 R106 | G77-E81 PolarHBondContact O-N 3.23Å; P78-E81 PolarHBondContact O-N 3.15Å; E81-E83 VanDerWaalsContact C-N 3.28Å; E81-E83 PolarHBondContact O-N 3.28Å; E81-L84 PolarHBondContact O-N 3.38Å; E81-E85 WeakPolarHBondContact O-CB 3.38Å; E81-E85 PolarHBondContact O-N 3.2Å; E81-Y102 HydrophobicContact CG-CE2 3.95Å; E81-Y102 WeakPolarHBondContact CG-OH 3.47Å; E81-Y102 PolarHBondContact OE1-OH 3.33Å; E81-H105 VanDerWaalsContact CD-CE1 3.41Å; E81-H105 IonicContact OE1-CE1 3.16Å; E81-H105 PolarHBondContact OE1-CE1 2.81Å; E81-H105 VanDerWaalsContact OE1-CE1 3.26Å; E81-H105 IonicContact OE1-NE2 2.82Å; E81-H105 PolarHBondContact OE1-NE2 3.02Å; E81-H105 IonicContact OE2-CE1 2.84Å; E81-H105 PolarHBondContact OE2-CE1 3.46Å; E81-H105 VanDerWaalsContact OE2-CE1 3.31Å; E81-H105 IonicContact OE2-NE2 3.86Å; E81-R106 IonicContact OE1-CZ 3.92Å; E81-R106 IonicContact OE1-NE 3.51Å; E81-R106 PolarHBondContact OE1-NE 3.12Å; E81-R106 IonicContact OE1-NH2 3.49Å; E81-R106 PolarHBondContact OE1-NH2 3.03Å |
| 82 | E | 94.9 | Very high | 93.1 | Very high | 119 Ų | 119 | 51.7 Ų | 51.7 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.3 | -38.5 | 177 | -74.5 | 178.3 | -173.2 | 0 | 0 | 112 | P78 L79 F86 | P78-E82 WeakPolarHBondContact O-CG 3.46Å; P78-E82 PolarHBondContact O-N 2.7Å; L79-E82 PolarHBondContact O-N 2.89Å; E82-F86 WeakPolarHBondContact O-CB 3.5Å; E82-F86 PolarHBondContact O-N 2.91Å |
| 83 | E | 95.9 | Very high | 93 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -51 | 172.9 | -71.8 | -61.3 | 138.2 | 0 | 0 | 111.2 | R52 H53 V56 I60 L79 F80 E81 E85 F86 W87 | R52-E83 IonicContact CZ-OE1 2.88Å; R52-E83 IonicContact NE-OE1 3.46Å; R52-E83 PolarHBondContact NE-OE1 3.21Å; R52-E83 IonicContact NE-OE2 3.67Å; R52-E83 IonicContact NH2-OE1 3.47Å; R52-E83 PolarHBondContact NH2-OE1 3.43Å; H53-E83 HydrophobicContact CB-CG 4.5Å; V56-E83 HydrophobicContact CB-CG 4.28Å; V56-E83 HydrophobicContact CG1-CB 3.77Å; V56-E83 HydrophobicContact CG1-CG 3.8Å; I60-E83 HydrophobicContact CD1-CB 4.21Å; L79-E83 HydrophobicContact CD2-CG 4.43Å; L79-E83 PolarHBondContact O-N 2.95Å; L79-E83 VanDerWaalsContact O-N 3.11Å; F80-E83 PolarHBondContact O-N 3.05Å; E81-E83 VanDerWaalsContact C-N 3.28Å; E81-E83 PolarHBondContact O-N 3.28Å; E83-E85 VanDerWaalsContact C-N 3.29Å; E83-E85 PolarHBondContact O-N 3.5Å; E83-F86 WeakPolarHBondContact O-CB 3.47Å; E83-F86 PolarHBondContact O-N 3.09Å; E83-W87 PolarHBondContact O-N 3.28Å; E83-W87 PolarHBondContact OE2-NE1 3.21Å |
| 84 | L | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.8 | -44.7 | 178.9 | -70 | 179.7 | 0 | 0 | 0 | 112 | I60 L69 F80 E81 F86 W87 G88 L89 | I60-L84 HydrophobicContact CG1-CD2 4.47Å; L69-L84 HydrophobicContact CD1-CD2 4.13Å; L69-L84 HydrophobicContact CD2-CD1 4.18Å; L69-L84 HydrophobicContact CD2-CD2 4Å; F80-L84 HydrophobicContact CD1-CD1 3.76Å; F80-L84 HydrophobicContact CD1-CG 4.16Å; F80-L84 HydrophobicContact CE1-CD1 3.52Å; F80-L84 HydrophobicContact CE1-CD2 4.24Å; F80-L84 HydrophobicContact CE1-CG 3.98Å; F80-L84 HydrophobicContact CZ-CD1 4.19Å; F80-L84 HydrophobicContact CZ-CD2 4.05Å; F80-L84 HydrophobicContact CZ-CG 4.21Å; F80-L84 WeakPolarHBondContact O-CG 3.44Å; F80-L84 PolarHBondContact O-N 3.11Å; E81-L84 PolarHBondContact O-N 3.38Å; L84-F86 PolarHBondContact O-N 3.06Å; L84-W87 PolarHBondContact O-N 3.28Å; L84-G88 PolarHBondContact O-N 3.37Å; L84-L89 HydrophobicContact CB-CB 4.31Å; L84-L89 HydrophobicContact CD2-CB 3.81Å; L84-L89 HydrophobicContact CD2-CD1 3.77Å; L84-L89 HydrophobicContact CD2-CG 4.43Å; L84-L89 PolarHBondContact O-N 2.93Å |
| 85 | E | 95.8 | Very high | 93.6 | Very high | 160 Ų | 160 | 47.2 Ų | 47.2 | 75% | 0.748 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.6 | -46.2 | 175.3 | -172.8 | -178.8 | -179.5 | 0 | 0 | 111.2 | E81 E83 W87 G88 | E81-E85 WeakPolarHBondContact O-CB 3.38Å; E81-E85 PolarHBondContact O-N 3.2Å; E83-E85 VanDerWaalsContact C-N 3.29Å; E83-E85 PolarHBondContact O-N 3.5Å; E85-W87 VanDerWaalsContact C-N 3.34Å; E85-W87 PolarHBondContact O-N 3.01Å; E85-G88 PolarHBondContact O-N 3.16Å; E85-G88 VanDerWaalsContact O-N 3.11Å |
| 86 | F | 95.4 | Very high | 93.7 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 177.9 | 175.5 | -94.5 | 0 | 0 | 0 | 112.5 | R30 F50 R52 E82 E83 L84 G88 | R30-F86 PolarHBondContact NE-O 2.96Å; R30-F86 PolarHBondContact NH2-O 3.09Å; R30-F86 VanDerWaalsContact NH2-O 3.15Å; F50-F86 HydrophobicContact CD1-CE1 4.28Å; F50-F86 HydrophobicContact CD1-CZ 4.25Å; R52-F86 HydrophobicContact CG-CD1 4.04Å; R52-F86 HydrophobicContact CG-CE1 3.69Å; R52-F86 HydrophobicContact CG-CZ 4.04Å; E82-F86 WeakPolarHBondContact O-CB 3.5Å; E82-F86 PolarHBondContact O-N 2.91Å; E83-F86 WeakPolarHBondContact O-CB 3.47Å; E83-F86 PolarHBondContact O-N 3.09Å; L84-F86 PolarHBondContact O-N 3.06Å; F86-G88 VanDerWaalsContact C-N 3.25Å; F86-G88 PolarHBondContact O-N 3.12Å |
| 87 | W | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -78.8 | -8.8 | 179.8 | -63.1 | 106.3 | 0 | 0 | 0 | 113.3 | V11 R30 L31 F50 R52 F57 I60 E83 L84 E85 L89 | V11-W87 HydrophobicContact CG1-CZ2 4.46Å; V11-W87 HydrophobicContact CG2-CH2 4.42Å; R30-W87 HydrophobicContact CB-CE3 4.41Å; R30-W87 WeakPolarHBondContact CB-O 3.33Å; R30-W87 PolarHBondContact N-O 3.09Å; L31-W87 HydrophobicContact CD1-CE3 4.45Å; L31-W87 HydrophobicContact CD2-CE3 3.88Å; L31-W87 HydrophobicContact CD2-CH2 4.49Å; L31-W87 HydrophobicContact CD2-CZ3 3.52Å; L31-W87 HydrophobicContact CG-CE3 3.92Å; L31-W87 HydrophobicContact CG-CZ3 4.09Å; F50-W87 HydrophobicContact CB-CH2 3.85Å; F50-W87 HydrophobicContact CB-CZ2 4.4Å; F50-W87 AromaticContact CD1-CH2 3.86Å; F50-W87 HydrophobicContact CD1-CH2 3.86Å; F50-W87 HydrophobicContact CD1-CZ3 4.1Å; F50-W87 AromaticContact CD2-CH2 3.73Å; F50-W87 HydrophobicContact CD2-CH2 3.73Å; F50-W87 HydrophobicContact CD2-CZ3 4.16Å; F50-W87 HydrophobicContact CE1-CH2 4.35Å; F50-W87 HydrophobicContact CE1-CZ3 4.14Å; F50-W87 HydrophobicContact CE2-CH2 4.23Å; F50-W87 HydrophobicContact CE2-CZ3 4.19Å; F50-W87 AromaticContact CG-CH2 3.53Å; F50-W87 HydrophobicContact CG-CH2 3.53Å; F50-W87 HydrophobicContact CG-CZ2 4.49Å; F50-W87 HydrophobicContact CG-CZ3 4.12Å; F50-W87 HydrophobicContact CZ-CZ3 4.19Å; R52-W87 HydrophobicContact CB-CZ2 4.24Å; R52-W87 HydrophobicContact CG-CZ2 4.21Å; F57-W87 HydrophobicContact CD2-CD2 4.3Å; F57-W87 AromaticContact CD2-CE2 3.64Å; F57-W87 AromaticContact CD2-CH2 3.8Å; F57-W87 HydrophobicContact CD2-CH2 3.8Å; F57-W87 AromaticContact CD2-CZ2 3.37Å; F57-W87 HydrophobicContact CD2-CZ2 3.37Å; F57-W87 HydrophobicContact CD2-CZ3 4.45Å; F57-W87 HydrophobicContact CE2-CD2 4.27Å; F57-W87 AromaticContact CE2-CE2 3.99Å; F57-W87 HydrophobicContact CE2-CE3 4.21Å; F57-W87 AromaticContact CE2-CH2 3.55Å; F57-W87 HydrophobicContact CE2-CH2 3.55Å; F57-W87 AromaticContact CE2-CZ2 3.64Å; F57-W87 HydrophobicContact CE2-CZ2 3.64Å; F57-W87 AromaticContact CE2-CZ3 3.88Å; F57-W87 HydrophobicContact CE2-CZ3 3.88Å; F57-W87 HydrophobicContact CG-CZ2 4.4Å; I60-W87 HydrophobicContact CD1-CB 4.44Å; I60-W87 HydrophobicContact CD1-CG 3.84Å; I60-W87 HydrophobicContact CG2-CB 4.45Å; I60-W87 HydrophobicContact CG2-CG 4.24Å; E83-W87 PolarHBondContact O-N 3.28Å; E83-W87 PolarHBondContact OE2-NE1 3.21Å; L84-W87 PolarHBondContact O-N 3.28Å; E85-W87 VanDerWaalsContact C-N 3.34Å; E85-W87 PolarHBondContact O-N 3.01Å; W87-L89 HydrophobicContact CB-CD1 4.42Å; W87-L89 HydrophobicContact CB-CG 4.27Å |
| 88 | G | 94.2 | Very high | 93.9 | Very high | 46 Ų | 46 | 53 Ų | 53 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 36.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | L84 E85 F86 | L84-G88 PolarHBondContact O-N 3.37Å; E85-G88 PolarHBondContact O-N 3.16Å; E85-G88 VanDerWaalsContact O-N 3.11Å; F86-G88 VanDerWaalsContact C-N 3.25Å; F86-G88 PolarHBondContact O-N 3.12Å |
| 89 | L | 94.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | trans | -102.2 | 138 | 177.2 | -62.5 | 179.5 | 0 | 0 | 0 | 110.3 | I26 T29 I60 Y63 Y64 L84 W87 S91 | I26-L89 HydrophobicContact CG2-CD2 4.35Å; T29-L89 HydrophobicContact CG2-CD2 3.55Å; I60-L89 HydrophobicContact CB-CD1 4.46Å; I60-L89 HydrophobicContact CG1-CD1 4.32Å; I60-L89 HydrophobicContact CG2-CD1 3.77Å; Y63-L89 HydrophobicContact CD1-CD1 3.9Å; Y63-L89 HydrophobicContact CD1-CD2 4.05Å; Y63-L89 HydrophobicContact CE1-CD1 4.41Å; Y63-L89 HydrophobicContact CE1-CD2 3.93Å; Y64-L89 HydrophobicContact CE2-CD1 4.46Å; Y64-L89 HydrophobicContact CE2-CD2 4.26Å; L84-L89 HydrophobicContact CB-CB 4.31Å; L84-L89 HydrophobicContact CD2-CB 3.81Å; L84-L89 HydrophobicContact CD2-CD1 3.77Å; L84-L89 HydrophobicContact CD2-CG 4.43Å; L84-L89 PolarHBondContact O-N 2.93Å; W87-L89 HydrophobicContact CB-CD1 4.42Å; W87-L89 HydrophobicContact CB-CG 4.27Å; L89-S91 PolarHBondContact O-N 3.48Å | ||
| 90 | D | 91.9 | Very high | 93.8 | Very high | 75 Ų | 75 | 60 Ų | 60 | 40% | 0.401 | 32% | 0.32 | S | S | . | . | trans | -74.5 | 124.4 | 176.3 | 174.4 | 21.8 | 0 | 0 | 0 | 110.7 | N92 Q93 | D90-N92 PolarHBondContact O-N 3.48Å; D90-N92 PolarHBondContact OD1-N 3.24Å; D90-N92 PolarHBondContact OD1-ND2 2.85Å; D90-Q93 HydrophobicContact CB-CG 3.91Å; D90-Q93 WeakPolarHBondContact O-CB 3.36Å; D90-Q93 PolarHBondContact O-N 3.23Å; D90-Q93 PolarHBondContact OD2-NE2 2.98Å; D90-Q93 VanDerWaalsContact OD2-NE2 3.08Å | ||
| 91 | S | 90 | Very high | 93.6 | Very high | 26 Ų | 26 | 63.3 Ų | 63.3 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -65.7 | -17.8 | -179.9 | 80.6 | 0 | 0 | 0 | 0 | 114.3 | L89 Q93 V94 Y102 R106 | L89-S91 PolarHBondContact O-N 3.48Å; S91-Q93 VanDerWaalsContact C-N 3.28Å; S91-Q93 PolarHBondContact O-N 3.27Å; S91-V94 WeakPolarHBondContact O-CG2 3.43Å; S91-Y102 VanDerWaalsContact CB-OH 3.27Å; S91-Y102 WeakPolarHBondContact CB-OH 3.44Å; S91-R106 PolarHBondContact OG-NH2 3.13Å |
| 92 | N | 89.9 | Confident | 93.5 | Very high | 96 Ų | 96 | 61 Ų | 61 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -82 | -4.3 | 178 | -58.8 | -43.5 | 0 | 0 | 0 | 113.5 | D90 V94 | D90-N92 PolarHBondContact O-N 3.48Å; D90-N92 PolarHBondContact OD1-N 3.24Å; D90-N92 PolarHBondContact OD1-ND2 2.85Å; N92-V94 VanDerWaalsContact C-N 3.28Å; N92-V94 PolarHBondContact O-N 3.31Å |
| 93 | Q | 91.6 | Very high | 93.3 | Very high | 95 Ų | 95 | 56 Ų | 56 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -85.7 | 4.1 | 179.3 | -56.3 | -60.4 | -46.2 | 0 | 0 | 113.4 | L69 D90 S91 E95 | L69-Q93 WeakPolarHBondContact CB-O 3.49Å; L69-Q93 HydrophobicContact CD2-CB 4.35Å; D90-Q93 HydrophobicContact CB-CG 3.91Å; D90-Q93 WeakPolarHBondContact O-CB 3.36Å; D90-Q93 PolarHBondContact O-N 3.23Å; D90-Q93 PolarHBondContact OD2-NE2 2.98Å; D90-Q93 VanDerWaalsContact OD2-NE2 3.08Å; S91-Q93 VanDerWaalsContact C-N 3.28Å; S91-Q93 PolarHBondContact O-N 3.27Å; Q93-E95 PolarHBondContact O-N 3.45Å |
| 94 | V | 94.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -65.2 | 132.3 | 178.8 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | L69 F80 S91 N92 C98 W99 Y102 | L69-V94 HydrophobicContact CD2-CG2 3.74Å; L69-V94 HydrophobicContact CG-CG2 4.11Å; L69-V94 WeakPolarHBondContact O-CA 3.38Å; F80-V94 HydrophobicContact CE1-CG2 4.28Å; S91-V94 WeakPolarHBondContact O-CG2 3.43Å; N92-V94 VanDerWaalsContact C-N 3.28Å; N92-V94 PolarHBondContact O-N 3.31Å; V94-C98 HydrophobicContact CG1-CB 3.72Å; V94-W99 HydrophobicContact CB-CE3 4.03Å; V94-W99 HydrophobicContact CB-CZ3 4.29Å; V94-W99 HydrophobicContact CG1-CE3 4.41Å; V94-Y102 HydrophobicContact CB-CD1 4.27Å; V94-Y102 HydrophobicContact CG1-CD1 4.31Å; V94-Y102 HydrophobicContact CG1-CG 4.38Å; V94-Y102 HydrophobicContact CG2-CD1 4.07Å; V94-Y102 HydrophobicContact CG2-CE1 4.14Å; V94-Y102 HydrophobicContact CG2-CG 4.37Å |
| 95 | E | 95 | Very high | 92.8 | Very high | 53 Ų | 53 | 62.5 Ų | 62.5 | 25% | 0.248 | 34% | 0.337 | C | S | . | . | trans | -62.6 | 148.1 | -178.4 | -73 | -72.9 | 155.6 | 0 | 0 | 112.8 | K68 L69 Q93 C97 C98 W99 | K68-E95 HydrophobicContact CB-CG 3.86Å; K68-E95 WeakPolarHBondContact CB-OE1 3.46Å; K68-E95 VanDerWaalsContact CG-OE1 3.3Å; K68-E95 WeakPolarHBondContact CG-OE1 3.47Å; L69-E95 PolarHBondContact O-N 3.4Å; Q93-E95 PolarHBondContact O-N 3.45Å; E95-C97 PolarHBondContact O-N 3.22Å; E95-C97 VanDerWaalsContact O-N 3.09Å; E95-C98 PolarHBondContact O-N 3.11Å; E95-W99 PolarHBondContact O-N 2.96Å; E95-W99 VanDerWaalsContact O-N 3.16Å | ||
| 96 | P | 94.6 | Very high | 92.4 | Very high | 108 Ų | 108 | 58.2 Ų | 58.2 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -55.6 | -32.2 | -177.7 | -27.5 | 35.2 | 0 | 0 | 0 | 114.8 | C98 W99 | P96-C98 PolarHBondContact O-N 2.87Å; P96-W99 PolarHBondContact O-N 3.49Å |
| 97 | C | 93.4 | Very high | 92.1 | Very high | 96 Ų | 96 | 59.5 Ų | 59.5 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.4 | -23.4 | 178.1 | 64.5 | 0 | 0 | 0 | 0 | 113.4 | H70 E95 | H70-C97 PolarHBondContact ND1-SG 3.48Å; H70-C97 VanDerWaalsContact ND1-SG 3.44Å; E95-C97 PolarHBondContact O-N 3.22Å; E95-C97 VanDerWaalsContact O-N 3.09Å |
| 98 | C | 94.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 61.2 Ų | 61.2 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -106.4 | -16.8 | -177.3 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | Y71 V94 E95 P96 M100 T101 Y102 | Y71-C98 PolarHBondContact N-SG 3.46Å; V94-C98 HydrophobicContact CG1-CB 3.72Å; E95-C98 PolarHBondContact O-N 3.11Å; P96-C98 PolarHBondContact O-N 2.87Å; C98-M100 VanDerWaalsContact C-N 3.34Å; C98-M100 PolarHBondContact O-N 3.34Å; C98-T101 PolarHBondContact O-N 3.4Å; C98-Y102 WeakPolarHBondContact O-CB 3.17Å; C98-Y102 PolarHBondContact O-N 2.99Å |
| 99 | W | 92.2 | Very high | 91.4 | Very high | 98 Ų | 98 | 64.2 Ų | 64.2 | 37% | 0.371 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.2 | -41.3 | -169.7 | -173 | -104.4 | 0 | 0 | 0 | 113.7 | V94 E95 P96 Y102 T103 | V94-W99 HydrophobicContact CB-CE3 4.03Å; V94-W99 HydrophobicContact CB-CZ3 4.29Å; V94-W99 HydrophobicContact CG1-CE3 4.41Å; E95-W99 PolarHBondContact O-N 2.96Å; E95-W99 VanDerWaalsContact O-N 3.16Å; P96-W99 PolarHBondContact O-N 3.49Å; W99-Y102 HydrophobicContact CE3-CD1 4.03Å; W99-Y102 HydrophobicContact CZ3-CD1 4.01Å; W99-Y102 HydrophobicContact CZ3-CE1 4.05Å; W99-Y102 PolarHBondContact O-N 3.31Å; W99-T103 HydrophobicContact CD2-CG2 3.82Å; W99-T103 HydrophobicContact CE3-CG2 4.31Å; W99-T103 HydrophobicContact CG-CG2 4.31Å; W99-T103 HydrophobicContact CH2-CG2 4.09Å; W99-T103 HydrophobicContact CZ2-CG2 3.56Å; W99-T103 HydrophobicContact CZ3-CG2 4.43Å; W99-T103 WeakPolarHBondContact O-CB 3.42Å; W99-T103 WeakPolarHBondContact O-CG2 3.48Å; W99-T103 PolarHBondContact O-N 3.07Å; W99-T103 PolarHBondContact O-OG1 3.15Å |
| 100 | M | 90.9 | Very high | 91 | Very high | 144 Ų | 144 | 69.8 Ų | 69.8 | 71% | 0.709 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64 | -47.9 | -178 | -171.6 | 61.6 | 68 | 0 | 0 | 111.9 | C98 T103 Q104 | C98-M100 VanDerWaalsContact C-N 3.34Å; C98-M100 PolarHBondContact O-N 3.34Å; M100-T103 PolarHBondContact O-OG1 2.9Å; M100-Q104 PolarHBondContact O-N 3.01Å |
| 101 | T | 92.1 | Very high | 90.8 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 177.9 | -47.6 | 0 | 0 | 0 | 0 | 111.2 | Y71 C98 Q104 | Y71-T101 HydrophobicContact CD1-CG2 4.05Å; Y71-T101 HydrophobicContact CE1-CG2 3.79Å; C98-T101 PolarHBondContact O-N 3.4Å; T101-Q104 WeakPolarHBondContact O-CB 3.4Å |
| 102 | Y | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 178.3 | 171.8 | -114.4 | 0 | 0 | 0 | 112.2 | Y71 F80 E81 S91 V94 C98 W99 Q104 H105 R106 | Y71-Y102 AromaticContact CD2-CD2 3.67Å; Y71-Y102 HydrophobicContact CD2-CD2 3.67Å; Y71-Y102 HydrophobicContact CD2-CG 4.34Å; Y71-Y102 AromaticContact CE2-CD2 3.96Å; Y71-Y102 HydrophobicContact CE2-CD2 3.96Å; Y71-Y102 HydrophobicContact CG-CD2 4.37Å; F80-Y102 HydrophobicContact CD1-CD2 4.04Å; F80-Y102 AromaticContact CD1-CE2 3.87Å; F80-Y102 HydrophobicContact CD1-CE2 3.87Å; E81-Y102 HydrophobicContact CG-CE2 3.95Å; E81-Y102 WeakPolarHBondContact CG-OH 3.47Å; E81-Y102 PolarHBondContact OE1-OH 3.33Å; S91-Y102 VanDerWaalsContact CB-OH 3.27Å; S91-Y102 WeakPolarHBondContact CB-OH 3.44Å; V94-Y102 HydrophobicContact CB-CD1 4.27Å; V94-Y102 HydrophobicContact CG1-CD1 4.31Å; V94-Y102 HydrophobicContact CG1-CG 4.38Å; V94-Y102 HydrophobicContact CG2-CD1 4.07Å; V94-Y102 HydrophobicContact CG2-CE1 4.14Å; V94-Y102 HydrophobicContact CG2-CG 4.37Å; C98-Y102 WeakPolarHBondContact O-CB 3.17Å; C98-Y102 PolarHBondContact O-N 2.99Å; W99-Y102 HydrophobicContact CE3-CD1 4.03Å; W99-Y102 HydrophobicContact CZ3-CD1 4.01Å; W99-Y102 HydrophobicContact CZ3-CE1 4.05Å; W99-Y102 PolarHBondContact O-N 3.31Å; Y102-Q104 VanDerWaalsContact C-N 3.31Å; Y102-Q104 PolarHBondContact O-N 3.36Å; Y102-H105 PolarHBondContact O-CD2 3.24Å; Y102-H105 PolarHBondContact O-NE2 3.14Å; Y102-R106 PolarHBondContact OH-NH2 3.36Å |
| 103 | T | 90.3 | Very high | 90.3 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 8% | 0.08 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -79.1 | -10.2 | -177.8 | 54 | 0 | 0 | 0 | 0 | 114.4 | W99 M100 H105 R106 N107 | W99-T103 HydrophobicContact CD2-CG2 3.82Å; W99-T103 HydrophobicContact CE3-CG2 4.31Å; W99-T103 HydrophobicContact CG-CG2 4.31Å; W99-T103 HydrophobicContact CH2-CG2 4.09Å; W99-T103 HydrophobicContact CZ2-CG2 3.56Å; W99-T103 HydrophobicContact CZ3-CG2 4.43Å; W99-T103 WeakPolarHBondContact O-CB 3.42Å; W99-T103 WeakPolarHBondContact O-CG2 3.48Å; W99-T103 PolarHBondContact O-N 3.07Å; W99-T103 PolarHBondContact O-OG1 3.15Å; M100-T103 PolarHBondContact O-OG1 2.9Å; T103-H105 PolarHBondContact O-N 3.49Å; T103-H105 VanDerWaalsContact O-N 3.15Å; T103-R106 WeakPolarHBondContact O-CB 3.2Å; T103-R106 PolarHBondContact O-N 3.07Å; T103-N107 PolarHBondContact O-N 3.45Å; T103-N107 VanDerWaalsContact O-N 3.14Å |
| 104 | Q | 90 | Very high | 89.9 | Confident | 119 Ų | 119 | 62.4 Ų | 62.4 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -54 | -38.2 | -178 | -172.4 | 179.5 | 6.5 | 0 | 0 | 113.1 | M100 T101 Y102 T108 | M100-Q104 PolarHBondContact O-N 3.01Å; T101-Q104 WeakPolarHBondContact O-CB 3.4Å; Y102-Q104 VanDerWaalsContact C-N 3.31Å; Y102-Q104 PolarHBondContact O-N 3.36Å; Q104-T108 VanDerWaalsContact O-CB 3.28Å; Q104-T108 WeakPolarHBondContact O-CB 3.49Å; Q104-T108 PolarHBondContact O-N 3.47Å; Q104-T108 PolarHBondContact O-OG1 3.25Å |
| 105 | H | 89.5 | Confident | 89.3 | Confident | 27 Ų | 27 | 62 Ų | 62 | 13% | 0.125 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.5 | -34.3 | 178.5 | 77.1 | 86.1 | 0 | 0 | 0 | 112.4 | G77 P78 E81 Y102 T103 T108 Q109 | G77-H105 VanDerWaalsContact CA-CD2 3.48Å; G77-H105 WeakPolarHBondContact CA-CD2 3.43Å; P78-H105 HydrophobicContact CG-CB 4.33Å; E81-H105 VanDerWaalsContact CD-CE1 3.41Å; E81-H105 IonicContact OE1-CE1 3.16Å; E81-H105 PolarHBondContact OE1-CE1 2.81Å; E81-H105 VanDerWaalsContact OE1-CE1 3.26Å; E81-H105 IonicContact OE1-NE2 2.82Å; E81-H105 PolarHBondContact OE1-NE2 3.02Å; E81-H105 IonicContact OE2-CE1 2.84Å; E81-H105 PolarHBondContact OE2-CE1 3.46Å; E81-H105 VanDerWaalsContact OE2-CE1 3.31Å; E81-H105 IonicContact OE2-NE2 3.86Å; Y102-H105 PolarHBondContact O-CD2 3.24Å; Y102-H105 PolarHBondContact O-NE2 3.14Å; T103-H105 PolarHBondContact O-N 3.49Å; T103-H105 VanDerWaalsContact O-N 3.15Å; H105-T108 PolarHBondContact O-N 3.24Å; H105-Q109 WeakPolarHBondContact O-CB 3.41Å; H105-Q109 VanDerWaalsContact O-CG 3.26Å; H105-Q109 WeakPolarHBondContact O-CG 3.45Å; H105-Q109 PolarHBondContact O-N 2.91Å |
| 106 | R | 88.8 | Confident | 88.5 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 26% | 0.264 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.1 | -49.8 | 177.7 | -62.6 | -174.6 | 180 | 176.1 | -2.5 | 109.8 | E81 S91 Y102 T103 T108 Q109 E110 | E81-R106 IonicContact OE1-CZ 3.92Å; E81-R106 IonicContact OE1-NE 3.51Å; E81-R106 PolarHBondContact OE1-NE 3.12Å; E81-R106 IonicContact OE1-NH2 3.49Å; E81-R106 PolarHBondContact OE1-NH2 3.03Å; S91-R106 PolarHBondContact OG-NH2 3.13Å; Y102-R106 PolarHBondContact OH-NH2 3.36Å; T103-R106 WeakPolarHBondContact O-CB 3.2Å; T103-R106 PolarHBondContact O-N 3.07Å; R106-T108 VanDerWaalsContact C-N 3.27Å; R106-T108 PolarHBondContact O-N 3.02Å; R106-Q109 WeakPolarHBondContact O-CB 3.27Å; R106-Q109 PolarHBondContact O-N 2.93Å; R106-E110 WeakPolarHBondContact O-CG 3.24Å; R106-E110 PolarHBondContact O-N 3.41Å |
| 107 | N | 87.5 | Confident | 87.6 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.6 | -42.3 | 175.1 | -62.1 | -12.4 | 0 | 0 | 0 | 111.3 | T103 E110 T111 | T103-N107 PolarHBondContact O-N 3.45Å; T103-N107 VanDerWaalsContact O-N 3.14Å; N107-E110 PolarHBondContact O-N 3.2Å; N107-T111 WeakPolarHBondContact O-CB 3.46Å; N107-T111 PolarHBondContact O-N 3.25Å; N107-T111 PolarHBondContact O-OG1 3.08Å |
| 108 | T | 87.3 | Confident | 86.7 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 22% | 0.221 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.2 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | Q104 H105 R106 T111 L112 H422 | Q104-T108 VanDerWaalsContact O-CB 3.28Å; Q104-T108 WeakPolarHBondContact O-CB 3.49Å; Q104-T108 PolarHBondContact O-N 3.47Å; Q104-T108 PolarHBondContact O-OG1 3.25Å; H105-T108 PolarHBondContact O-N 3.24Å; R106-T108 VanDerWaalsContact C-N 3.27Å; R106-T108 PolarHBondContact O-N 3.02Å; T108-T111 PolarHBondContact O-N 2.74Å; T108-L112 HydrophobicContact CG2-CD1 3.62Å; T108-L112 HydrophobicContact CG2-CG 4.09Å; T108-L112 VanDerWaalsContact O-CB 3.24Å; T108-L112 WeakPolarHBondContact O-CB 3.26Å; T108-L112 WeakPolarHBondContact O-CD1 3.28Å; T108-L112 WeakPolarHBondContact O-CG 3.44Å; T108-L112 PolarHBondContact O-N 2.87Å; T108-H422 WeakPolarHBondContact CG2-CE1 3.49Å |
| 109 | Q | 88.1 | Confident | 85.5 | Confident | 109 Ų | 109 | 64.5 Ų | 64.5 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 178 | -77.1 | 174.5 | -1.1 | 0 | 0 | 112.3 | H105 R106 L112 A113 | H105-Q109 WeakPolarHBondContact O-CB 3.41Å; H105-Q109 VanDerWaalsContact O-CG 3.26Å; H105-Q109 WeakPolarHBondContact O-CG 3.45Å; H105-Q109 PolarHBondContact O-N 2.91Å; R106-Q109 WeakPolarHBondContact O-CB 3.27Å; R106-Q109 PolarHBondContact O-N 2.93Å; Q109-L112 PolarHBondContact O-N 2.96Å; Q109-A113 WeakPolarHBondContact O-CB 3.3Å; Q109-A113 PolarHBondContact O-N 2.72Å |
| 110 | E | 86.9 | Confident | 84.2 | Confident | 129 Ų | 129 | 63 Ų | 63 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.5 | -50.3 | 175.5 | -71.3 | 175.8 | -171.6 | 0 | 0 | 111.4 | R106 N107 L112 A113 V114 | R106-E110 WeakPolarHBondContact O-CG 3.24Å; R106-E110 PolarHBondContact O-N 3.41Å; N107-E110 PolarHBondContact O-N 3.2Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 3.15Å; E110-A113 WeakPolarHBondContact O-CB 3.38Å; E110-A113 PolarHBondContact O-N 3.26Å; E110-A113 VanDerWaalsContact O-N 3.15Å; E110-V114 PolarHBondContact O-N 3.4Å |
| 111 | T | 86.8 | Confident | 83.1 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | N107 T108 A113 V114 I115 M418 F419 H422 | N107-T111 WeakPolarHBondContact O-CB 3.46Å; N107-T111 PolarHBondContact O-N 3.25Å; N107-T111 PolarHBondContact O-OG1 3.08Å; T108-T111 PolarHBondContact O-N 2.74Å; T111-A113 VanDerWaalsContact C-N 3.3Å; T111-A113 PolarHBondContact O-N 3.31Å; T111-V114 PolarHBondContact O-N 3.2Å; T111-I115 HydrophobicContact CG2-CD1 3.74Å; T111-I115 HydrophobicContact CG2-CG1 4.42Å; T111-I115 VanDerWaalsContact O-CG1 3.31Å; T111-I115 WeakPolarHBondContact O-CG1 3.49Å; T111-I115 PolarHBondContact O-N 3.14Å; T111-M418 HydrophobicContact CG2-SD 3.53Å; T111-M418 VanDerWaalsContact CG2-SD 3.53Å; T111-M418 PolarHBondContact OG1-SD 3.27Å; T111-F419 HydrophobicContact CG2-CD1 3.73Å; T111-F419 HydrophobicContact CG2-CE1 3.8Å; T111-F419 HydrophobicContact CG2-CG 4.3Å; T111-F419 HydrophobicContact CG2-CZ 4.43Å; T111-H422 HydrophobicContact CG2-CB 4.31Å |
| 112 | L | 85.3 | Confident | 82 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -34.4 | 177.2 | -72.8 | 171.5 | 0 | 0 | 0 | 112.2 | T108 Q109 E110 E116 H422 R426 | T108-L112 HydrophobicContact CG2-CD1 3.62Å; T108-L112 HydrophobicContact CG2-CG 4.09Å; T108-L112 VanDerWaalsContact O-CB 3.24Å; T108-L112 WeakPolarHBondContact O-CB 3.26Å; T108-L112 WeakPolarHBondContact O-CD1 3.28Å; T108-L112 WeakPolarHBondContact O-CG 3.44Å; T108-L112 PolarHBondContact O-N 2.87Å; Q109-L112 PolarHBondContact O-N 2.96Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 3.15Å; L112-E116 WeakPolarHBondContact O-CB 3.07Å; L112-E116 PolarHBondContact O-N 2.65Å; L112-H422 HydrophobicContact CD2-CB 4.19Å; L112-R426 HydrophobicContact CD2-CG 3.94Å |
| 113 | A | 84.3 | Confident | 81.1 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q109 E110 T111 E116 Q117 | Q109-A113 WeakPolarHBondContact O-CB 3.3Å; Q109-A113 PolarHBondContact O-N 2.72Å; E110-A113 WeakPolarHBondContact O-CB 3.38Å; E110-A113 PolarHBondContact O-N 3.26Å; E110-A113 VanDerWaalsContact O-N 3.15Å; T111-A113 VanDerWaalsContact C-N 3.3Å; T111-A113 PolarHBondContact O-N 3.31Å; A113-E116 WeakPolarHBondContact O-CB 3.47Å; A113-E116 PolarHBondContact O-N 2.92Å; A113-Q117 WeakPolarHBondContact O-CG 3.47Å; A113-Q117 PolarHBondContact O-N 2.83Å |
| 114 | V | 83.7 | Confident | 80.5 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -48 | 172.9 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | E110 T111 E116 Q117 L118 Q320 F419 | E110-V114 PolarHBondContact O-N 3.4Å; T111-V114 PolarHBondContact O-N 3.2Å; V114-E116 VanDerWaalsContact C-N 3.28Å; V114-E116 PolarHBondContact O-N 3.31Å; V114-Q117 WeakPolarHBondContact O-CB 3.36Å; V114-Q117 PolarHBondContact O-N 3.44Å; V114-Q117 VanDerWaalsContact O-N 3.08Å; V114-L118 HydrophobicContact CG1-CD1 4.38Å; V114-L118 WeakPolarHBondContact O-CG 3.46Å; V114-L118 PolarHBondContact O-N 3.45Å; V114-L118 VanDerWaalsContact O-N 3.16Å; V114-Q320 HydrophobicContact CG1-CG 3.34Å; V114-F419 HydrophobicContact CB-CE1 4.11Å; V114-F419 HydrophobicContact CG1-CE1 3.77Å |
| 115 | I | 81.8 | Confident | 80 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 177.7 | -68.4 | 165.4 | 0 | 0 | 0 | 111.1 | T111 Q117 L118 E119 F419 H422 A423 | T111-I115 HydrophobicContact CG2-CD1 3.74Å; T111-I115 HydrophobicContact CG2-CG1 4.42Å; T111-I115 VanDerWaalsContact O-CG1 3.31Å; T111-I115 WeakPolarHBondContact O-CG1 3.49Å; T111-I115 PolarHBondContact O-N 3.14Å; I115-Q117 PolarHBondContact O-N 3.03Å; I115-L118 CarbonylContact O-C 3.58Å; I115-L118 PolarHBondContact O-N 3.49Å; I115-E119 HydrophobicContact CG2-CG 3.95Å; I115-E119 WeakPolarHBondContact O-CB 3.3Å; I115-E119 WeakPolarHBondContact O-CG 3.43Å; I115-E119 PolarHBondContact O-N 3.48Å; I115-F419 HydrophobicContact CD1-CD1 4.41Å; I115-F419 WeakPolarHBondContact CD1-O 3.34Å; I115-F419 HydrophobicContact CG1-CD1 4.16Å; I115-H422 HydrophobicContact CD1-CB 3.36Å; I115-A423 HydrophobicContact CD1-CB 4.36Å; I115-A423 HydrophobicContact CG2-CB 4.29Å |
| 116 | E | 79.2 | Confident | 79.6 | Confident | 84 Ų | 84 | 70.5 Ų | 70.5 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.5 | -32.9 | 175.2 | 159.8 | 157 | -169.4 | 0 | 0 | 113.1 | L112 A113 V114 R121 R426 | L112-E116 WeakPolarHBondContact O-CB 3.07Å; L112-E116 PolarHBondContact O-N 2.65Å; A113-E116 WeakPolarHBondContact O-CB 3.47Å; A113-E116 PolarHBondContact O-N 2.92Å; V114-E116 VanDerWaalsContact C-N 3.28Å; V114-E116 PolarHBondContact O-N 3.31Å; E116-R121 IonicContact OE1-CZ 3.65Å; E116-R121 IonicContact OE1-NH1 3.9Å; E116-R121 PolarHBondContact OE1-NH1 2.87Å; E116-R121 IonicContact OE1-NH2 3.82Å; E116-R121 PolarHBondContact OE1-NH2 2.74Å; E116-R121 IonicContact OE2-CZ 2.69Å; E116-R121 IonicContact OE2-NH1 2.75Å; E116-R121 IonicContact OE2-NH2 3.95Å; E116-R121 PolarHBondContact OE2-NH2 3.1Å; E116-R426 IonicContact OE2-NH1 2.83Å |
| 117 | Q | 75.5 | Confident | 79.2 | Confident | 155 Ų | 155 | 71.7 Ų | 71.7 | 72% | 0.724 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -74 | -32.1 | 173.1 | -67.2 | 172.6 | -10.4 | 0 | 0 | 112.8 | A113 V114 I115 | A113-Q117 WeakPolarHBondContact O-CG 3.47Å; A113-Q117 PolarHBondContact O-N 2.83Å; V114-Q117 WeakPolarHBondContact O-CB 3.36Å; V114-Q117 PolarHBondContact O-N 3.44Å; V114-Q117 VanDerWaalsContact O-N 3.08Å; I115-Q117 PolarHBondContact O-N 3.03Å |
| 118 | L | 73.2 | Confident | 79.1 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -82 | -27.5 | 178.4 | -58.4 | 175.2 | 0 | 0 | 0 | 112.9 | V114 I115 K316 I317 Q320 | V114-L118 HydrophobicContact CG1-CD1 4.38Å; V114-L118 WeakPolarHBondContact O-CG 3.46Å; V114-L118 PolarHBondContact O-N 3.45Å; V114-L118 VanDerWaalsContact O-N 3.16Å; I115-L118 CarbonylContact O-C 3.58Å; I115-L118 PolarHBondContact O-N 3.49Å; L118-K316 HydrophobicContact CD2-CB 4.43Å; L118-I317 HydrophobicContact CD1-CG1 4.05Å; L118-Q320 HydrophobicContact CD1-CB 3.65Å; L118-Q320 HydrophobicContact CD1-CG 3.84Å; L118-Q320 HydrophobicContact CD2-CB 3.97Å; L118-Q320 HydrophobicContact CD2-CG 4.27Å; L118-Q320 HydrophobicContact CG-CB 4.38Å; L118-Q320 HydrophobicContact CG-CG 4.43Å |
| 119 | E | 69 | Low | 78.9 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -63.1 | 145.7 | -174.4 | -93.9 | -180 | 178.9 | 0 | 0 | 111.7 | I115 R121 R426 | I115-E119 HydrophobicContact CG2-CG 3.95Å; I115-E119 WeakPolarHBondContact O-CB 3.3Å; I115-E119 WeakPolarHBondContact O-CG 3.43Å; I115-E119 PolarHBondContact O-N 3.48Å; E119-R121 HydrophobicContact CB-CG 4.22Å; E119-R121 PolarHBondContact O-N 3.48Å; E119-R121 IonicContact OE2-NE 3.06Å; E119-R426 WeakPolarHBondContact OE1-CB 3.37Å; E119-R426 VanDerWaalsContact OE1-CD 3.3Å; E119-R426 WeakPolarHBondContact OE1-CD 3.41Å; E119-R426 IonicContact OE1-CZ 2.7Å; E119-R426 IonicContact OE1-NE 3.85Å; E119-R426 PolarHBondContact OE1-NE 3.16Å; E119-R426 IonicContact OE2-CZ 3.16Å; E119-R426 IonicContact OE2-NE 3.31Å; E119-R426 PolarHBondContact OE2-NE 3.12Å; E119-R426 IonicContact OE2-NH2 2.63Å; E119-R426 PolarHBondContact OE2-NH2 2.84Å |
| 120 | N | 65.7 | Low | 78.7 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | trans | -72 | 62.9 | 177.8 | -74.8 | 7.2 | 0 | 0 | 0 | 111.6 | W161 | N120-W161 HydrophobicContact CB-CB 4.43Å; N120-W161 HydrophobicContact CB-CD2 3.23Å; N120-W161 VanDerWaalsContact CB-CE2 3.41Å; N120-W161 HydrophobicContact CB-CE3 3.51Å; N120-W161 HydrophobicContact CB-CG 3.63Å; N120-W161 HydrophobicContact CB-CH2 4.04Å; N120-W161 HydrophobicContact CB-CZ2 3.84Å; N120-W161 HydrophobicContact CB-CZ3 3.9Å; N120-W161 VanDerWaalsContact O-CD1 3.22Å; N120-W161 PolarHBondContact O-NE1 3.37Å; N120-W161 VanDerWaalsContact O-NE1 3.09Å; N120-W161 VanDerWaalsContact OD1-CE3 3.25Å; N120-W161 WeakPolarHBondContact OD1-CH2 3.45Å; N120-W161 WeakPolarHBondContact OD1-CZ3 3.46Å | ||
| 121 | R | 66.7 | Low | 78.5 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 29% | 0.291 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 129.8 | 179.9 | -70.9 | -169.2 | 172.4 | -167.5 | 12.2 | 110.7 | E116 E119 Q159 W161 | E116-R121 IonicContact OE1-CZ 3.65Å; E116-R121 IonicContact OE1-NH1 3.9Å; E116-R121 PolarHBondContact OE1-NH1 2.87Å; E116-R121 IonicContact OE1-NH2 3.82Å; E116-R121 PolarHBondContact OE1-NH2 2.74Å; E116-R121 IonicContact OE2-CZ 2.69Å; E116-R121 IonicContact OE2-NH1 2.75Å; E116-R121 IonicContact OE2-NH2 3.95Å; E116-R121 PolarHBondContact OE2-NH2 3.1Å; E119-R121 HydrophobicContact CB-CG 4.22Å; E119-R121 PolarHBondContact O-N 3.48Å; E119-R121 IonicContact OE2-NE 3.06Å; R121-Q159 PolarHBondContact O-NE2 3.23Å; R121-Q159 PolarHBondContact O-OE1 2.99Å; R121-W161 PolarHBondContact O-NE1 3.46Å; R121-W161 VanDerWaalsContact O-NE1 3.12Å |
| 122 | T | 69.9 | Low | 78.6 | Confident | 81 Ų | 81 | 63 Ų | 63 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 117.2 | 163.3 | 44 | 0 | 0 | 0 | 0 | 107.6 | ||
| 123 | Y | 74.4 | Confident | 78.5 | Confident | 92 Ų | 92 | 63.9 Ų | 63.9 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 141.3 | 173.8 | -63.3 | -72.8 | 0 | 0 | 0 | 110.3 | E127 L128 M131 W154 | Y123-E127 HydrophobicContact CD1-CB 4.3Å; Y123-L128 HydrophobicContact CD2-CD2 4.27Å; Y123-L128 HydrophobicContact CG-CD2 4.35Å; Y123-M131 HydrophobicContact CD1-CE 3.72Å; Y123-M131 HydrophobicContact CD1-SD 4.16Å; Y123-M131 HydrophobicContact CD2-CE 3.49Å; Y123-M131 VanDerWaalsContact CD2-CE 3.49Å; Y123-M131 HydrophobicContact CD2-SD 4.44Å; Y123-M131 HydrophobicContact CE1-CE 3.92Å; Y123-M131 HydrophobicContact CE1-SD 3.8Å; Y123-M131 HydrophobicContact CE2-CE 3.66Å; Y123-M131 HydrophobicContact CE2-SD 4.05Å; Y123-M131 HydrophobicContact CG-CE 3.51Å; Y123-M131 HydrophobicContact CG-SD 4.47Å; Y123-W154 HydrophobicContact CD2-CH2 4.39Å; Y123-W154 HydrophobicContact CD2-CZ3 4.13Å; Y123-W154 AromaticContact CE2-CH2 3.9Å; Y123-W154 HydrophobicContact CE2-CH2 3.9Å; Y123-W154 HydrophobicContact CE2-CZ3 4.11Å |
| 124 | T | 77.5 | Confident | 78.6 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 159.6 | 167.5 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | E126 E127 L128 | T124-E126 PolarHBondContact O-N 3.1Å; T124-E127 PolarHBondContact N-OE2 3.43Å; T124-E127 PolarHBondContact O-N 3.12Å; T124-E127 WeakPolarHBondContact OG1-CB 3.48Å; T124-E127 WeakPolarHBondContact OG1-CG 3.46Å; T124-E127 PolarHBondContact OG1-N 3.48Å; T124-E127 PolarHBondContact OG1-OE2 3.5Å; T124-L128 WeakPolarHBondContact O-CG 3.39Å; T124-L128 PolarHBondContact O-N 3.15Å |
| 125 | D | 79.4 | Confident | 78.5 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.7 | -34.1 | 178.6 | -69.3 | -28.8 | 0 | 0 | 0 | 112.2 | A129 Y138 | D125-A129 PolarHBondContact O-N 3.34Å; D125-Y138 HydrophobicContact CB-CE2 3.81Å |
| 126 | E | 80.1 | Confident | 78.6 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 47% | 0.467 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.5 | -47.2 | 175.9 | -172.6 | 174.1 | -174.1 | 0 | 0 | 111.7 | T124 L128 A129 V130 Y138 | T124-E126 PolarHBondContact O-N 3.1Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-L128 PolarHBondContact O-N 3.25Å; E126-A129 WeakPolarHBondContact O-CB 3.47Å; E126-A129 PolarHBondContact O-N 3.33Å; E126-A129 VanDerWaalsContact O-N 3.11Å; E126-V130 WeakPolarHBondContact O-CG2 3.42Å; E126-V130 PolarHBondContact O-N 3.26Å; E126-Y138 HydrophobicContact CB-CD1 4.45Å; E126-Y138 HydrophobicContact CB-CE1 3.89Å; E126-Y138 HydrophobicContact CG-CD1 4.45Å; E126-Y138 HydrophobicContact CG-CE1 4.21Å |
| 127 | E | 81.3 | Confident | 78.9 | Confident | 94 Ų | 94 | 71.3 Ų | 71.3 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 175.3 | -72.3 | 164.6 | 161.4 | 0 | 0 | 112.2 | Y123 T124 V130 M131 | Y123-E127 HydrophobicContact CD1-CB 4.3Å; T124-E127 PolarHBondContact N-OE2 3.43Å; T124-E127 PolarHBondContact O-N 3.12Å; T124-E127 WeakPolarHBondContact OG1-CB 3.48Å; T124-E127 WeakPolarHBondContact OG1-CG 3.46Å; T124-E127 PolarHBondContact OG1-N 3.48Å; T124-E127 PolarHBondContact OG1-OE2 3.5Å; E127-V130 PolarHBondContact O-N 2.85Å; E127-M131 WeakPolarHBondContact O-CG 3.42Å; E127-M131 PolarHBondContact O-N 3.11Å |
| 128 | L | 84.8 | Confident | 79.2 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 171.7 | -73.2 | 165.1 | 0 | 0 | 0 | 110.1 | Y123 T124 E126 V130 M131 F132 P151 W154 | Y123-L128 HydrophobicContact CD2-CD2 4.27Å; Y123-L128 HydrophobicContact CG-CD2 4.35Å; T124-L128 WeakPolarHBondContact O-CG 3.39Å; T124-L128 PolarHBondContact O-N 3.15Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-L128 PolarHBondContact O-N 3.25Å; L128-V130 VanDerWaalsContact C-N 3.3Å; L128-V130 PolarHBondContact O-N 2.84Å; L128-M131 HydrophobicContact CD2-CE 3.56Å; L128-M131 HydrophobicContact CG-CE 4.32Å; L128-M131 PolarHBondContact O-N 3.44Å; L128-F132 VanDerWaalsContact O-CD2 3.27Å; L128-F132 WeakPolarHBondContact O-CD2 3.35Å; L128-F132 PolarHBondContact O-N 3.49Å; L128-F132 VanDerWaalsContact O-N 3.1Å; L128-P151 HydrophobicContact CB-CB 4.22Å; L128-P151 HydrophobicContact CD1-CB 4.29Å; L128-P151 HydrophobicContact CD2-CB 4.05Å; L128-P151 HydrophobicContact CG-CB 4.42Å; L128-W154 HydrophobicContact CD2-CE3 4.21Å; L128-W154 HydrophobicContact CD2-CZ3 3.93Å |
| 129 | A | 82.8 | Confident | 79.7 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 5% | 0.05 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D125 E126 F132 G133 W134 Y138 | D125-A129 PolarHBondContact O-N 3.34Å; E126-A129 WeakPolarHBondContact O-CB 3.47Å; E126-A129 PolarHBondContact O-N 3.33Å; E126-A129 VanDerWaalsContact O-N 3.11Å; A129-F132 PolarHBondContact O-N 3.26Å; A129-G133 PolarHBondContact O-N 3.11Å; A129-W134 PolarHBondContact O-N 3.24Å; A129-Y138 HydrophobicContact CB-CD2 4.18Å; A129-Y138 HydrophobicContact CB-CG 3.88Å |
| 130 | V | 84.6 | Confident | 80.5 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | E126 E127 L128 F132 G133 E135 | E126-V130 WeakPolarHBondContact O-CG2 3.42Å; E126-V130 PolarHBondContact O-N 3.26Å; E127-V130 PolarHBondContact O-N 2.85Å; L128-V130 VanDerWaalsContact C-N 3.3Å; L128-V130 PolarHBondContact O-N 2.84Å; V130-F132 PolarHBondContact O-N 3.45Å; V130-G133 PolarHBondContact O-N 3.34Å; V130-E135 HydrophobicContact CG2-CB 4.11Å; V130-E135 HydrophobicContact CG2-CG 3.99Å |
| 131 | M | 83.2 | Confident | 81.3 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.2 | -31.4 | 180 | -73.8 | -166.3 | -62 | 0 | 0 | 113.6 | Y123 E127 L128 W154 P254 | Y123-M131 HydrophobicContact CD1-CE 3.72Å; Y123-M131 HydrophobicContact CD1-SD 4.16Å; Y123-M131 HydrophobicContact CD2-CE 3.49Å; Y123-M131 VanDerWaalsContact CD2-CE 3.49Å; Y123-M131 HydrophobicContact CD2-SD 4.44Å; Y123-M131 HydrophobicContact CE1-CE 3.92Å; Y123-M131 HydrophobicContact CE1-SD 3.8Å; Y123-M131 HydrophobicContact CE2-CE 3.66Å; Y123-M131 HydrophobicContact CE2-SD 4.05Å; Y123-M131 HydrophobicContact CG-CE 3.51Å; Y123-M131 HydrophobicContact CG-SD 4.47Å; E127-M131 WeakPolarHBondContact O-CG 3.42Å; E127-M131 PolarHBondContact O-N 3.11Å; L128-M131 HydrophobicContact CD2-CE 3.56Å; L128-M131 HydrophobicContact CG-CE 4.32Å; L128-M131 PolarHBondContact O-N 3.44Å; M131-W154 HydrophobicContact CE-CH2 4.08Å; M131-W154 HydrophobicContact CE-CZ3 3.85Å; M131-P254 WeakPolarHBondContact O-CB 3.4Å |
| 132 | F | 87.3 | Confident | 82.3 | Confident | 20 Ų | 20 | 76.6 Ų | 76.6 | 9% | 0.088 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -90.4 | -3.8 | 177.2 | -77.3 | -91.6 | 0 | 0 | 0 | 113.6 | L128 A129 V130 W134 K150 P151 W154 F252 P254 | L128-F132 VanDerWaalsContact O-CD2 3.27Å; L128-F132 WeakPolarHBondContact O-CD2 3.35Å; L128-F132 PolarHBondContact O-N 3.49Å; L128-F132 VanDerWaalsContact O-N 3.1Å; A129-F132 PolarHBondContact O-N 3.26Å; V130-F132 PolarHBondContact O-N 3.45Å; F132-W134 HydrophobicContact CB-CD2 3.74Å; F132-W134 HydrophobicContact CB-CE3 3.6Å; F132-W134 HydrophobicContact CB-CG 4.33Å; F132-W134 HydrophobicContact CB-CH2 4.31Å; F132-W134 HydrophobicContact CB-CZ2 4.4Å; F132-W134 HydrophobicContact CB-CZ3 3.88Å; F132-W134 HydrophobicContact CD1-CH2 4.04Å; F132-W134 HydrophobicContact CD1-CZ2 4.46Å; F132-W134 HydrophobicContact CD1-CZ3 4.12Å; F132-W134 HydrophobicContact CG-CE3 4.23Å; F132-W134 HydrophobicContact CG-CH2 4.39Å; F132-W134 HydrophobicContact CG-CZ3 4.03Å; F132-K150 HydrophobicContact CD1-CD 3.95Å; F132-K150 HydrophobicContact CD1-CG 4.47Å; F132-K150 HydrophobicContact CE1-CD 3.65Å; F132-K150 HydrophobicContact CE1-CG 3.81Å; F132-K150 HydrophobicContact CZ-CG 4.42Å; F132-P151 HydrophobicContact CD2-CB 4.11Å; F132-P151 HydrophobicContact CD2-CG 3.88Å; F132-P151 HydrophobicContact CE2-CB 3.66Å; F132-P151 HydrophobicContact CE2-CG 3.83Å; F132-P151 HydrophobicContact CG-CG 4.33Å; F132-P151 HydrophobicContact CZ-CB 4.19Å; F132-P151 HydrophobicContact CZ-CG 4.23Å; F132-W154 HydrophobicContact CE2-CE3 4.18Å; F132-W154 HydrophobicContact CZ-CB 4.26Å; F132-W154 HydrophobicContact CZ-CD2 4.28Å; F132-W154 HydrophobicContact CZ-CE3 4.34Å; F132-W154 HydrophobicContact CZ-CG 4.26Å; F132-F252 WeakPolarHBondContact CE1-O 3.45Å; F132-F252 WeakPolarHBondContact CZ-O 3.5Å; F132-P254 HydrophobicContact CD1-CB 3.94Å; F132-P254 HydrophobicContact CD2-CB 4.33Å; F132-P254 HydrophobicContact CE1-CB 3.9Å; F132-P254 HydrophobicContact CE2-CB 4.32Å; F132-P254 HydrophobicContact CG-CB 4.16Å; F132-P254 HydrophobicContact CZ-CB 4.11Å |
| 133 | G | 83.4 | Confident | 82.9 | Confident | 64 Ų | 64 | 74 Ų | 74 | 66% | 0.66 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 28.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A129 V130 | A129-G133 PolarHBondContact O-N 3.11Å; V130-G133 PolarHBondContact O-N 3.34Å |
| 134 | W | 86.3 | Confident | 83.5 | Confident | 35 Ų | 35 | 74.7 Ų | 74.7 | 13% | 0.133 | 41% | 0.408 | C | S | . | . | trans | -115.6 | 25 | -177.3 | -57.1 | -29.5 | 0 | 0 | 0 | 113 | A129 F132 D136 D137 Y138 L143 W146 Q147 K150 P151 | A129-W134 PolarHBondContact O-N 3.24Å; F132-W134 HydrophobicContact CB-CD2 3.74Å; F132-W134 HydrophobicContact CB-CE3 3.6Å; F132-W134 HydrophobicContact CB-CG 4.33Å; F132-W134 HydrophobicContact CB-CH2 4.31Å; F132-W134 HydrophobicContact CB-CZ2 4.4Å; F132-W134 HydrophobicContact CB-CZ3 3.88Å; F132-W134 HydrophobicContact CD1-CH2 4.04Å; F132-W134 HydrophobicContact CD1-CZ2 4.46Å; F132-W134 HydrophobicContact CD1-CZ3 4.12Å; F132-W134 HydrophobicContact CG-CE3 4.23Å; F132-W134 HydrophobicContact CG-CH2 4.39Å; F132-W134 HydrophobicContact CG-CZ3 4.03Å; W134-D136 PolarHBondContact O-N 3.36Å; W134-D137 HydrophobicContact CB-CB 4.5Å; W134-D137 PolarHBondContact O-N 3.41Å; W134-Y138 WeakPolarHBondContact O-CB 3.33Å; W134-Y138 PolarHBondContact O-N 2.97Å; W134-L143 HydrophobicContact CB-CD2 4.18Å; W134-L143 HydrophobicContact CE3-CD2 4.3Å; W134-W146 HydrophobicContact CZ2-CZ3 4.46Å; W134-Q147 HydrophobicContact CD2-CB 4.2Å; W134-Q147 HydrophobicContact CD2-CG 4Å; W134-Q147 HydrophobicContact CE3-CB 3.74Å; W134-Q147 HydrophobicContact CE3-CG 4.03Å; W134-Q147 HydrophobicContact CH2-CB 3.89Å; W134-Q147 HydrophobicContact CH2-CG 3.76Å; W134-Q147 HydrophobicContact CZ2-CB 4.36Å; W134-Q147 HydrophobicContact CZ2-CG 3.76Å; W134-Q147 VanDerWaalsContact CZ3-CA 3.45Å; W134-Q147 HydrophobicContact CZ3-CB 3.59Å; W134-Q147 HydrophobicContact CZ3-CG 3.93Å; W134-Q147 WeakPolarHBondContact CZ3-O 3.38Å; W134-K150 HydrophobicContact CH2-CB 4.27Å; W134-K150 HydrophobicContact CH2-CD 3.69Å; W134-K150 HydrophobicContact CH2-CG 4.44Å; W134-K150 HydrophobicContact CZ2-CD 4.35Å; W134-P151 HydrophobicContact CZ3-CG 3.85Å | ||
| 135 | E | 83.2 | Confident | 84.2 | Confident | 92 Ų | 92 | 80.3 Ų | 80.3 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.9 | -48.9 | -178.9 | -174.3 | 176.9 | 178.8 | 0 | 0 | 111.8 | V130 D137 Y138 L139 | V130-E135 HydrophobicContact CG2-CB 4.11Å; V130-E135 HydrophobicContact CG2-CG 3.99Å; E135-D137 PolarHBondContact O-N 3.16Å; E135-Y138 PolarHBondContact O-N 3.04Å; E135-L139 HydrophobicContact CG-CD1 4.14Å; E135-L139 WeakPolarHBondContact O-CG 3.28Å; E135-L139 PolarHBondContact O-N 2.84Å |
| 136 | D | 84 | Confident | 84.6 | Confident | 129 Ų | 129 | 80.8 Ų | 80.8 | 69% | 0.69 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 178.7 | -69.9 | -33.5 | 0 | 0 | 0 | 112.3 | W134 Y138 L139 A140 | W134-D136 PolarHBondContact O-N 3.36Å; D136-Y138 VanDerWaalsContact C-N 3.34Å; D136-Y138 PolarHBondContact O-N 3.06Å; D136-L139 PolarHBondContact O-N 3.18Å; D136-A140 VanDerWaalsContact O-CB 3.24Å; D136-A140 WeakPolarHBondContact O-CB 3.21Å; D136-A140 PolarHBondContact O-N 3.41Å |
| 137 | D | 85 | Confident | 85 | Confident | 63 Ų | 63 | 77.1 Ų | 77.1 | 34% | 0.337 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 179.4 | -71.1 | -24.4 | 0 | 0 | 0 | 112 | W134 E135 N141 N142 L143 Q147 | W134-D137 HydrophobicContact CB-CB 4.5Å; W134-D137 PolarHBondContact O-N 3.41Å; E135-D137 PolarHBondContact O-N 3.16Å; D137-N141 PolarHBondContact O-N 3.3Å; D137-N141 VanDerWaalsContact O-N 3.1Å; D137-N142 PolarHBondContact O-N 3.41Å; D137-L143 HydrophobicContact CB-CD2 4.39Å; D137-L143 HydrophobicContact CB-CG 4.3Å; D137-Q147 PolarHBondContact OD2-NE2 2.9Å |
| 138 | Y | 81.2 | Confident | 85.2 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 30% | 0.302 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.3 | -48.1 | 174.5 | -178.4 | -94.8 | 0 | 0 | 0 | 111.7 | D125 E126 A129 W134 E135 D136 A140 N141 L143 | D125-Y138 HydrophobicContact CB-CE2 3.81Å; E126-Y138 HydrophobicContact CB-CD1 4.45Å; E126-Y138 HydrophobicContact CB-CE1 3.89Å; E126-Y138 HydrophobicContact CG-CD1 4.45Å; E126-Y138 HydrophobicContact CG-CE1 4.21Å; A129-Y138 HydrophobicContact CB-CD2 4.18Å; A129-Y138 HydrophobicContact CB-CG 3.88Å; W134-Y138 WeakPolarHBondContact O-CB 3.33Å; W134-Y138 PolarHBondContact O-N 2.97Å; E135-Y138 PolarHBondContact O-N 3.04Å; D136-Y138 VanDerWaalsContact C-N 3.34Å; D136-Y138 PolarHBondContact O-N 3.06Å; Y138-A140 VanDerWaalsContact C-N 3.32Å; Y138-A140 PolarHBondContact O-N 3.32Å; Y138-N141 PolarHBondContact O-N 2.97Å; Y138-L143 VanDerWaalsContact CA-CD1 3.47Å; Y138-L143 HydrophobicContact CD2-CD1 3.52Å; Y138-L143 HydrophobicContact CG-CD1 4.08Å |
| 139 | L | 84.6 | Confident | 85.4 | Confident | 110 Ų | 110 | 79.3 Ų | 79.3 | 58% | 0.576 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.2 | -35.6 | 178.2 | -68.2 | 174.2 | 0 | 0 | 0 | 112.2 | E135 D136 N141 | E135-L139 HydrophobicContact CG-CD1 4.14Å; E135-L139 WeakPolarHBondContact O-CG 3.28Å; E135-L139 PolarHBondContact O-N 2.84Å; D136-L139 PolarHBondContact O-N 3.18Å; L139-N141 PolarHBondContact O-N 3.04Å |
| 140 | A | 85.9 | Confident | 85.8 | Confident | 56 Ų | 56 | 80.2 Ų | 80.2 | 46% | 0.463 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -7.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D136 Y138 N142 | D136-A140 VanDerWaalsContact O-CB 3.24Å; D136-A140 WeakPolarHBondContact O-CB 3.21Å; D136-A140 PolarHBondContact O-N 3.41Å; Y138-A140 VanDerWaalsContact C-N 3.32Å; Y138-A140 PolarHBondContact O-N 3.32Å; A140-N142 HydrophobicContact CB-CB 4.38Å; A140-N142 PolarHBondContact O-N 3.4Å |
| 141 | N | 82 | Confident | 86 | Confident | 140 Ų | 140 | 77.2 Ų | 77.2 | 75% | 0.749 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 36.6 | -175.2 | -162.6 | 78.9 | 0 | 0 | 0 | 113.2 | D137 Y138 L139 | D137-N141 PolarHBondContact O-N 3.3Å; D137-N141 VanDerWaalsContact O-N 3.1Å; Y138-N141 PolarHBondContact O-N 2.97Å; L139-N141 PolarHBondContact O-N 3.04Å |
| 142 | N | 87.1 | Confident | 86.2 | Confident | 115 Ų | 115 | 80.1 Ų | 80.1 | 62% | 0.615 | 41% | 0.405 | S | S | * | . | trans | -108.5 | 18.5 | -177.1 | -81.1 | -16.9 | 0 | 0 | 0 | 113.2 | D137 A140 | D137-N142 PolarHBondContact O-N 3.41Å; A140-N142 HydrophobicContact CB-CB 4.38Å; A140-N142 PolarHBondContact O-N 3.4Å | ||
| 143 | L | 82.6 | Confident | 86.4 | Confident | 27 Ų | 27 | 80.7 Ų | 80.7 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | trans | -67.5 | 133.9 | -178.3 | -77.8 | 147.9 | 0 | 0 | 0 | 112.7 | W134 D137 Y138 Q147 H148 | W134-L143 HydrophobicContact CB-CD2 4.18Å; W134-L143 HydrophobicContact CE3-CD2 4.3Å; D137-L143 HydrophobicContact CB-CD2 4.39Å; D137-L143 HydrophobicContact CB-CG 4.3Å; Y138-L143 VanDerWaalsContact CA-CD1 3.47Å; Y138-L143 HydrophobicContact CD2-CD1 3.52Å; Y138-L143 HydrophobicContact CG-CD1 4.08Å; L143-Q147 HydrophobicContact CB-CB 4.5Å; L143-Q147 HydrophobicContact CD2-CB 3.51Å; L143-Q147 HydrophobicContact CD2-CG 4.31Å; L143-H148 WeakPolarHBondContact CB-NE2 3.31Å | ||
| 144 | N | 88.3 | Confident | 86.7 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 57% | 0.567 | 38% | 0.381 | S | S | * | . | trans | -71.1 | 155.8 | 170.5 | -69.1 | -20.3 | 0 | 0 | 0 | 111.2 | W146 Q147 H148 | N144-W146 PolarHBondContact O-N 2.86Å; N144-W146 VanDerWaalsContact O-N 3.16Å; N144-Q147 HydrophobicContact CB-CG 4.3Å; N144-Q147 WeakPolarHBondContact O-CB 3.44Å; N144-Q147 PolarHBondContact O-N 2.82Å; N144-H148 PolarHBondContact O-N 3.02Å; N144-H148 VanDerWaalsContact O-N 3.13Å | ||
| 145 | W | 90.6 | Very high | 86.8 | Confident | 191 Ų | 191 | 77.5 Ų | 77.5 | 72% | 0.723 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -54.7 | -37.2 | 177.2 | 75.4 | -89.6 | 0 | 0 | 0 | 113 | H148 L149 | W145-H148 WeakPolarHBondContact O-CB 3.46Å; W145-H148 PolarHBondContact O-N 3.09Å; W145-L149 HydrophobicContact CE3-CB 4.47Å; W145-L149 HydrophobicContact CE3-CD2 4.3Å; W145-L149 HydrophobicContact CZ3-CD2 3.65Å; W145-L149 PolarHBondContact O-N 3.44Å |
| 146 | W | 88.6 | Confident | 87.1 | Confident | 116 Ų | 116 | 75.1 Ų | 75.1 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.9 | -34.5 | 177.8 | -174.7 | 72.8 | 0 | 0 | 0 | 112.3 | W134 N144 H148 L149 K150 | W134-W146 HydrophobicContact CZ2-CZ3 4.46Å; N144-W146 PolarHBondContact O-N 2.86Å; N144-W146 VanDerWaalsContact O-N 3.16Å; W146-H148 PolarHBondContact O-N 3.25Å; W146-L149 PolarHBondContact O-N 3.03Å; W146-K150 HydrophobicContact CH2-CD 3.81Å; W146-K150 HydrophobicContact CZ2-CD 3.97Å; W146-K150 HydrophobicContact CZ3-CD 4.23Å; W146-K150 WeakPolarHBondContact O-CB 3.36Å; W146-K150 PolarHBondContact O-N 3.42Å |
| 147 | Q | 87.6 | Confident | 87.4 | Confident | 23 Ų | 23 | 69.8 Ų | 69.8 | 11% | 0.107 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.1 | -26.1 | 173.7 | -66.2 | 173 | -55.4 | 0 | 0 | 111.5 | W134 D137 L143 N144 P151 | W134-Q147 HydrophobicContact CD2-CB 4.2Å; W134-Q147 HydrophobicContact CD2-CG 4Å; W134-Q147 HydrophobicContact CE3-CB 3.74Å; W134-Q147 HydrophobicContact CE3-CG 4.03Å; W134-Q147 HydrophobicContact CH2-CB 3.89Å; W134-Q147 HydrophobicContact CH2-CG 3.76Å; W134-Q147 HydrophobicContact CZ2-CB 4.36Å; W134-Q147 HydrophobicContact CZ2-CG 3.76Å; W134-Q147 VanDerWaalsContact CZ3-CA 3.45Å; W134-Q147 HydrophobicContact CZ3-CB 3.59Å; W134-Q147 HydrophobicContact CZ3-CG 3.93Å; W134-Q147 WeakPolarHBondContact CZ3-O 3.38Å; D137-Q147 PolarHBondContact OD2-NE2 2.9Å; L143-Q147 HydrophobicContact CB-CB 4.5Å; L143-Q147 HydrophobicContact CD2-CB 3.51Å; L143-Q147 HydrophobicContact CD2-CG 4.31Å; N144-Q147 HydrophobicContact CB-CG 4.3Å; N144-Q147 WeakPolarHBondContact O-CB 3.44Å; N144-Q147 PolarHBondContact O-N 2.82Å; Q147-P151 WeakPolarHBondContact O-CD 3.26Å; Q147-P151 WeakPolarHBondContact O-CG 3.41Å |
| 148 | H | 86 | Confident | 87.4 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77.8 | -35 | 168.3 | -74.8 | -64.2 | 0 | 0 | 0 | 113.6 | L143 N144 W145 W146 K152 | L143-H148 WeakPolarHBondContact CB-NE2 3.31Å; N144-H148 PolarHBondContact O-N 3.02Å; N144-H148 VanDerWaalsContact O-N 3.13Å; W145-H148 WeakPolarHBondContact O-CB 3.46Å; W145-H148 PolarHBondContact O-N 3.09Å; W146-H148 PolarHBondContact O-N 3.25Å; H148-K152 WeakPolarHBondContact O-CD 3.19Å; H148-K152 WeakPolarHBondContact O-CG 3.38Å |
| 149 | L | 89.6 | Confident | 87.5 | Confident | 67 Ų | 67 | 65 Ų | 65 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -78.5 | -40.6 | -176.1 | -173.5 | 64.6 | 0 | 0 | 0 | 112.5 | W145 W146 K152 I153 | W145-L149 HydrophobicContact CE3-CB 4.47Å; W145-L149 HydrophobicContact CE3-CD2 4.3Å; W145-L149 HydrophobicContact CZ3-CD2 3.65Å; W145-L149 PolarHBondContact O-N 3.44Å; W146-L149 PolarHBondContact O-N 3.03Å; L149-K152 WeakPolarHBondContact O-CB 3.44Å; L149-K152 PolarHBondContact O-N 2.88Å; L149-I153 HydrophobicContact CD1-CD1 3.85Å; L149-I153 HydrophobicContact CD1-CG1 3.96Å; L149-I153 HydrophobicContact CD2-CD1 3.9Å; L149-I153 HydrophobicContact CG-CD1 3.59Å; L149-I153 HydrophobicContact CG-CG1 4.05Å; L149-I153 PolarHBondContact O-N 3.38Å |
| 150 | K | 91.3 | Very high | 87.4 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.7 | -51 | -174.5 | 176.9 | -172.7 | -165.5 | -156.6 | 0 | 112.9 | F132 W134 W146 K152 I153 W154 F252 C253 | F132-K150 HydrophobicContact CD1-CD 3.95Å; F132-K150 HydrophobicContact CD1-CG 4.47Å; F132-K150 HydrophobicContact CE1-CD 3.65Å; F132-K150 HydrophobicContact CE1-CG 3.81Å; F132-K150 HydrophobicContact CZ-CG 4.42Å; W134-K150 HydrophobicContact CH2-CB 4.27Å; W134-K150 HydrophobicContact CH2-CD 3.69Å; W134-K150 HydrophobicContact CH2-CG 4.44Å; W134-K150 HydrophobicContact CZ2-CD 4.35Å; W146-K150 HydrophobicContact CH2-CD 3.81Å; W146-K150 HydrophobicContact CZ2-CD 3.97Å; W146-K150 HydrophobicContact CZ3-CD 4.23Å; W146-K150 WeakPolarHBondContact O-CB 3.36Å; W146-K150 PolarHBondContact O-N 3.42Å; K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.4Å; K150-I153 PolarHBondContact O-N 3.15Å; K150-W154 WeakPolarHBondContact O-CB 3.4Å; K150-W154 PolarHBondContact O-N 2.9Å; K150-F252 HydrophobicContact CB-CD1 4.16Å; K150-F252 WeakPolarHBondContact CE-O 3.28Å; K150-F252 HydrophobicContact CG-CB 4.32Å; K150-F252 HydrophobicContact CG-CD1 3.94Å; K150-C253 VanDerWaalsContact CE-O 3.3Å; K150-C253 WeakPolarHBondContact CE-O 3.24Å; K150-C253 PolarHBondContact NZ-O 3.21Å |
| 151 | P | 88.4 | Confident | 87.1 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 7% | 0.065 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -33 | 178.5 | -19.7 | 33.6 | 0 | 0 | 0 | 112.7 | L128 F132 W134 Q147 W154 S155 | L128-P151 HydrophobicContact CB-CB 4.22Å; L128-P151 HydrophobicContact CD1-CB 4.29Å; L128-P151 HydrophobicContact CD2-CB 4.05Å; L128-P151 HydrophobicContact CG-CB 4.42Å; F132-P151 HydrophobicContact CD2-CB 4.11Å; F132-P151 HydrophobicContact CD2-CG 3.88Å; F132-P151 HydrophobicContact CE2-CB 3.66Å; F132-P151 HydrophobicContact CE2-CG 3.83Å; F132-P151 HydrophobicContact CG-CG 4.33Å; F132-P151 HydrophobicContact CZ-CB 4.19Å; F132-P151 HydrophobicContact CZ-CG 4.23Å; W134-P151 HydrophobicContact CZ3-CG 3.85Å; Q147-P151 WeakPolarHBondContact O-CD 3.26Å; Q147-P151 WeakPolarHBondContact O-CG 3.41Å; P151-W154 PolarHBondContact O-N 3.28Å; P151-S155 WeakPolarHBondContact O-CB 3.24Å; P151-S155 PolarHBondContact O-N 3.04Å; P151-S155 PolarHBondContact O-OG 3.23Å; P151-S155 VanDerWaalsContact O-OG 3.11Å |
| 152 | K | 87.6 | Confident | 87.1 | Confident | 126 Ų | 126 | 55.4 Ų | 55.4 | 55% | 0.548 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 176.9 | -71.4 | -178.8 | -177.8 | -178.2 | 0 | 111.8 | H148 L149 K150 S155 L156 | H148-K152 WeakPolarHBondContact O-CD 3.19Å; H148-K152 WeakPolarHBondContact O-CG 3.38Å; L149-K152 WeakPolarHBondContact O-CB 3.44Å; L149-K152 PolarHBondContact O-N 2.88Å; K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.4Å; K152-S155 PolarHBondContact O-OG 2.87Å; K152-L156 WeakPolarHBondContact O-CB 3.33Å; K152-L156 PolarHBondContact O-N 3.07Å |
| 153 | I | 90.9 | Very high | 87.1 | Confident | 32 Ų | 32 | 52 Ų | 52 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.2 | -40.2 | 176.8 | -63.2 | 177.9 | 0 | 0 | 0 | 110.8 | L149 K150 S155 L156 F157 M248 F252 | L149-I153 HydrophobicContact CD1-CD1 3.85Å; L149-I153 HydrophobicContact CD1-CG1 3.96Å; L149-I153 HydrophobicContact CD2-CD1 3.9Å; L149-I153 HydrophobicContact CG-CD1 3.59Å; L149-I153 HydrophobicContact CG-CG1 4.05Å; L149-I153 PolarHBondContact O-N 3.38Å; K150-I153 PolarHBondContact O-N 3.15Å; I153-S155 PolarHBondContact O-N 2.86Å; I153-L156 WeakPolarHBondContact O-CB 3.46Å; I153-L156 PolarHBondContact O-N 2.87Å; I153-F157 HydrophobicContact CG2-CD2 4.14Å; I153-F157 HydrophobicContact CG2-CE2 4.28Å; I153-F157 PolarHBondContact O-N 3.21Å; I153-M248 HydrophobicContact CG2-CE 3.63Å; I153-F252 HydrophobicContact CB-CD1 4.08Å; I153-F252 HydrophobicContact CB-CD2 4.15Å; I153-F252 HydrophobicContact CB-CE1 4.29Å; I153-F252 HydrophobicContact CB-CE2 4.4Å; I153-F252 HydrophobicContact CB-CG 4.03Å; I153-F252 HydrophobicContact CB-CZ 4.46Å; I153-F252 HydrophobicContact CD1-CD1 4.43Å; I153-F252 HydrophobicContact CD1-CE1 3.8Å; I153-F252 HydrophobicContact CD1-CE2 4.32Å; I153-F252 HydrophobicContact CD1-CZ 3.75Å; I153-F252 HydrophobicContact CG2-CD1 4.23Å; I153-F252 HydrophobicContact CG2-CD2 3.4Å; I153-F252 VanDerWaalsContact CG2-CD2 3.4Å; I153-F252 HydrophobicContact CG2-CE1 4.36Å; I153-F252 HydrophobicContact CG2-CE2 3.61Å; I153-F252 HydrophobicContact CG2-CG 3.79Å; I153-F252 HydrophobicContact CG2-CZ 4.08Å |
| 154 | W | 90.9 | Very high | 87.3 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 175.3 | 175.2 | 71.8 | 0 | 0 | 0 | 111.6 | Y123 L128 M131 F132 K150 P151 L156 F157 D158 F252 | Y123-W154 HydrophobicContact CD2-CH2 4.39Å; Y123-W154 HydrophobicContact CD2-CZ3 4.13Å; Y123-W154 AromaticContact CE2-CH2 3.9Å; Y123-W154 HydrophobicContact CE2-CH2 3.9Å; Y123-W154 HydrophobicContact CE2-CZ3 4.11Å; L128-W154 HydrophobicContact CD2-CE3 4.21Å; L128-W154 HydrophobicContact CD2-CZ3 3.93Å; M131-W154 HydrophobicContact CE-CH2 4.08Å; M131-W154 HydrophobicContact CE-CZ3 3.85Å; F132-W154 HydrophobicContact CE2-CE3 4.18Å; F132-W154 HydrophobicContact CZ-CB 4.26Å; F132-W154 HydrophobicContact CZ-CD2 4.28Å; F132-W154 HydrophobicContact CZ-CE3 4.34Å; F132-W154 HydrophobicContact CZ-CG 4.26Å; K150-W154 WeakPolarHBondContact O-CB 3.4Å; K150-W154 PolarHBondContact O-N 2.9Å; P151-W154 PolarHBondContact O-N 3.28Å; W154-L156 PolarHBondContact O-N 2.75Å; W154-F157 PolarHBondContact O-N 2.63Å; W154-D158 HydrophobicContact CZ2-CB 4.45Å; W154-D158 WeakPolarHBondContact CZ2-OD2 3.31Å; W154-D158 VanDerWaalsContact O-CB 3.25Å; W154-D158 WeakPolarHBondContact O-CB 3.34Å; W154-D158 PolarHBondContact O-N 2.89Å; W154-F252 HydrophobicContact CB-CB 3.88Å; W154-F252 WeakPolarHBondContact CB-O 3.35Å |
| 155 | S | 87.6 | Confident | 87.5 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -28.8 | 177.4 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | P151 K152 I153 Q159 | P151-S155 WeakPolarHBondContact O-CB 3.24Å; P151-S155 PolarHBondContact O-N 3.04Å; P151-S155 PolarHBondContact O-OG 3.23Å; P151-S155 VanDerWaalsContact O-OG 3.11Å; K152-S155 PolarHBondContact O-OG 2.87Å; I153-S155 PolarHBondContact O-N 2.86Å; S155-Q159 CarbonylContact O-C 3.58Å; S155-Q159 WeakPolarHBondContact O-CA 3.5Å; S155-Q159 WeakPolarHBondContact O-CB 3.4Å; S155-Q159 PolarHBondContact O-N 3.33Å |
| 156 | L | 89.9 | Confident | 87.5 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 176.2 | -176.1 | 70.3 | 0 | 0 | 0 | 112.7 | K152 I153 W154 A165 A166 I169 | K152-L156 WeakPolarHBondContact O-CB 3.33Å; K152-L156 PolarHBondContact O-N 3.07Å; I153-L156 WeakPolarHBondContact O-CB 3.46Å; I153-L156 PolarHBondContact O-N 2.87Å; W154-L156 PolarHBondContact O-N 2.75Å; L156-A165 HydrophobicContact CD1-CB 3.7Å; L156-A166 HydrophobicContact CD1-CB 3.98Å; L156-A166 WeakPolarHBondContact O-CB 3.48Å; L156-I169 HydrophobicContact CD1-CD1 3.83Å; L156-I169 HydrophobicContact CD2-CD1 3.61Å; L156-I169 HydrophobicContact CG-CD1 3.53Å |
| 157 | F | 89.3 | Confident | 87.6 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -94.7 | -28 | -177.6 | -80.6 | -86.3 | 0 | 0 | 0 | 114.3 | I153 W154 I169 F244 E245 M248 R249 | I153-F157 HydrophobicContact CG2-CD2 4.14Å; I153-F157 HydrophobicContact CG2-CE2 4.28Å; I153-F157 PolarHBondContact O-N 3.21Å; W154-F157 PolarHBondContact O-N 2.63Å; F157-I169 HydrophobicContact CD1-CG2 4.23Å; F157-I169 HydrophobicContact CE1-CG2 4.13Å; F157-F244 HydrophobicContact CE1-CD1 4.39Å; F157-F244 AromaticContact CE1-CE1 3.8Å; F157-F244 HydrophobicContact CE1-CE1 3.8Å; F157-F244 AromaticContact CZ-CE1 3.62Å; F157-F244 HydrophobicContact CZ-CE1 3.62Å; F157-F244 AromaticContact CZ-CZ 3.97Å; F157-F244 HydrophobicContact CZ-CZ 3.97Å; F157-E245 HydrophobicContact CD1-CG 4.22Å; F157-E245 HydrophobicContact CE1-CG 4.28Å; F157-M248 HydrophobicContact CD1-CB 4.34Å; F157-M248 HydrophobicContact CD2-CB 4.04Å; F157-M248 HydrophobicContact CD2-CE 4.36Å; F157-M248 HydrophobicContact CE1-CB 4.34Å; F157-M248 HydrophobicContact CE1-CG 4.43Å; F157-M248 HydrophobicContact CE2-CB 4.04Å; F157-M248 HydrophobicContact CE2-CE 3.65Å; F157-M248 HydrophobicContact CE2-CG 4.13Å; F157-M248 HydrophobicContact CG-CB 4.19Å; F157-M248 HydrophobicContact CZ-CB 4.19Å; F157-M248 HydrophobicContact CZ-CE 4.23Å; F157-M248 HydrophobicContact CZ-CG 4.02Å; F157-R249 HydrophobicContact CB-CG 3.84Å; F157-R249 PolarHBondContact O-NE 3.28Å; F157-R249 PolarHBondContact O-NH2 3.29Å |
| 158 | D | 85.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -91.3 | -34.4 | -175.9 | -156.6 | 53.6 | 0 | 0 | 0 | 112.5 | W154 P160 K310 | W154-D158 HydrophobicContact CZ2-CB 4.45Å; W154-D158 WeakPolarHBondContact CZ2-OD2 3.31Å; W154-D158 VanDerWaalsContact O-CB 3.25Å; W154-D158 WeakPolarHBondContact O-CB 3.34Å; W154-D158 PolarHBondContact O-N 2.89Å; D158-P160 VanDerWaalsContact O-CD 3.31Å; D158-P160 WeakPolarHBondContact O-CD 3.29Å; D158-K310 WeakPolarHBondContact OD1-CE 3.33Å; D158-K310 IonicContact OD1-NZ 3.08Å; D158-K310 PolarHBondContact OD1-NZ 3.43Å |
| 159 | Q | 83.9 | Confident | 88.2 | Confident | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | trans | -114 | 91.1 | -177.1 | -60.5 | -164.9 | -30.7 | 0 | 0 | 111.7 | R121 S155 W161 S162 A166 | R121-Q159 PolarHBondContact O-NE2 3.23Å; R121-Q159 PolarHBondContact O-OE1 2.99Å; S155-Q159 CarbonylContact O-C 3.58Å; S155-Q159 WeakPolarHBondContact O-CA 3.5Å; S155-Q159 WeakPolarHBondContact O-CB 3.4Å; S155-Q159 PolarHBondContact O-N 3.33Å; Q159-W161 HydrophobicContact CB-CD2 4.23Å; Q159-W161 HydrophobicContact CB-CH2 4.27Å; Q159-W161 HydrophobicContact CB-CZ2 3.74Å; Q159-W161 HydrophobicContact CG-CH2 4.29Å; Q159-W161 HydrophobicContact CG-CZ2 3.67Å; Q159-W161 PolarHBondContact O-N 3.2Å; Q159-S162 WeakPolarHBondContact O-CB 3.24Å; Q159-S162 PolarHBondContact O-N 3.29Å; Q159-A166 WeakPolarHBondContact O-CB 3.44Å | ||
| 160 | P | 81.3 | Confident | 88.3 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 13% | 0.13 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.3 | -176.7 | 20.6 | -33.1 | 0 | 0 | 0 | 114.8 | D158 A166 R167 | D158-P160 VanDerWaalsContact O-CD 3.31Å; D158-P160 WeakPolarHBondContact O-CD 3.29Å; P160-A166 CarbonylContact O-C 3.37Å; P160-R167 WeakPolarHBondContact O-CA 3.09Å; P160-R167 WeakPolarHBondContact O-CG 2.98Å; P160-R167 PolarHBondContact O-N 3.49Å; P160-R167 VanDerWaalsContact O-N 3.15Å |
| 161 | W | 79.8 | Confident | 88.3 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 16% | 0.163 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -6.5 | 178.3 | 58.4 | 87.4 | 0 | 0 | 0 | 114.6 | N120 R121 Q159 | N120-W161 HydrophobicContact CB-CB 4.43Å; N120-W161 HydrophobicContact CB-CD2 3.23Å; N120-W161 VanDerWaalsContact CB-CE2 3.41Å; N120-W161 HydrophobicContact CB-CE3 3.51Å; N120-W161 HydrophobicContact CB-CG 3.63Å; N120-W161 HydrophobicContact CB-CH2 4.04Å; N120-W161 HydrophobicContact CB-CZ2 3.84Å; N120-W161 HydrophobicContact CB-CZ3 3.9Å; N120-W161 VanDerWaalsContact O-CD1 3.22Å; N120-W161 PolarHBondContact O-NE1 3.37Å; N120-W161 VanDerWaalsContact O-NE1 3.09Å; N120-W161 VanDerWaalsContact OD1-CE3 3.25Å; N120-W161 WeakPolarHBondContact OD1-CH2 3.45Å; N120-W161 WeakPolarHBondContact OD1-CZ3 3.46Å; R121-W161 PolarHBondContact O-NE1 3.46Å; R121-W161 VanDerWaalsContact O-NE1 3.12Å; Q159-W161 HydrophobicContact CB-CD2 4.23Å; Q159-W161 HydrophobicContact CB-CH2 4.27Å; Q159-W161 HydrophobicContact CB-CZ2 3.74Å; Q159-W161 HydrophobicContact CG-CH2 4.29Å; Q159-W161 HydrophobicContact CG-CZ2 3.67Å; Q159-W161 PolarHBondContact O-N 3.2Å |
| 162 | S | 82.1 | Confident | 88.6 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -63.4 | -44.3 | -170.7 | 173.1 | 0 | 0 | 0 | 0 | 113.1 | Q159 | Q159-S162 WeakPolarHBondContact O-CB 3.24Å; Q159-S162 PolarHBondContact O-N 3.29Å |
| 163 | S | 87.1 | Confident | 88.8 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -140.9 | 166.2 | -179 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | A165 A166 R167 | S163-A165 PolarHBondContact O-N 2.82Å; S163-A166 WeakPolarHBondContact O-CB 2.99Å; S163-A166 PolarHBondContact O-N 3.48Å; S163-A166 VanDerWaalsContact O-N 3.15Å; S163-A166 WeakPolarHBondContact OG-CB 3.09Å; S163-A166 PolarHBondContact OG-N 2.98Å; S163-R167 WeakPolarHBondContact O-CG 3.49Å; S163-R167 PolarHBondContact O-N 3.31Å |
| 164 | S | 88.2 | Confident | 88.9 | Confident | 104 Ų | 104 | 45.3 Ų | 45.3 | 73% | 0.727 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -58.2 | -39 | 171 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | R167 M168 | S164-R167 WeakPolarHBondContact O-CB 3.5Å; S164-R167 PolarHBondContact O-N 2.9Å; S164-M168 PolarHBondContact O-N 2.89Å; S164-M168 VanDerWaalsContact O-N 3.09Å |
| 165 | A | 92.1 | Very high | 89.1 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L156 S163 R167 M168 I169 | L156-A165 HydrophobicContact CD1-CB 3.7Å; S163-A165 PolarHBondContact O-N 2.82Å; A165-R167 VanDerWaalsContact C-N 3.3Å; A165-R167 PolarHBondContact O-N 3.4Å; A165-M168 PolarHBondContact O-N 3.22Å; A165-I169 WeakPolarHBondContact O-CG1 3.4Å; A165-I169 PolarHBondContact O-N 2.9Å |
| 166 | A | 90.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L156 Q159 P160 S163 I169 S170 | L156-A166 HydrophobicContact CD1-CB 3.98Å; L156-A166 WeakPolarHBondContact O-CB 3.48Å; Q159-A166 WeakPolarHBondContact O-CB 3.44Å; P160-A166 CarbonylContact O-C 3.37Å; S163-A166 WeakPolarHBondContact O-CB 2.99Å; S163-A166 PolarHBondContact O-N 3.48Å; S163-A166 VanDerWaalsContact O-N 3.15Å; S163-A166 WeakPolarHBondContact OG-CB 3.09Å; S163-A166 PolarHBondContact OG-N 2.98Å; A166-I169 PolarHBondContact O-N 3.31Å; A166-S170 WeakPolarHBondContact O-CB 3.18Å; A166-S170 PolarHBondContact O-N 2.88Å; A166-S170 PolarHBondContact O-OG 2.83Å |
| 167 | R | 90.6 | Very high | 89.5 | Confident | 159 Ų | 159 | 49 Ų | 49 | 60% | 0.6 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.9 | -45.4 | 175.1 | -67.1 | 178.4 | -167.8 | 178.4 | 3.4 | 111.1 | P160 S163 S164 A165 S170 T171 | P160-R167 WeakPolarHBondContact O-CA 3.09Å; P160-R167 WeakPolarHBondContact O-CG 2.98Å; P160-R167 PolarHBondContact O-N 3.49Å; P160-R167 VanDerWaalsContact O-N 3.15Å; S163-R167 WeakPolarHBondContact O-CG 3.49Å; S163-R167 PolarHBondContact O-N 3.31Å; S164-R167 WeakPolarHBondContact O-CB 3.5Å; S164-R167 PolarHBondContact O-N 2.9Å; A165-R167 VanDerWaalsContact C-N 3.3Å; A165-R167 PolarHBondContact O-N 3.4Å; R167-S170 WeakPolarHBondContact CA-OG 3.42Å; R167-S170 PolarHBondContact O-N 3.47Å; R167-S170 PolarHBondContact O-OG 3.25Å; R167-T171 PolarHBondContact O-N 3.31Å; R167-T171 PolarHBondContact O-OG1 2.8Å; R167-T171 VanDerWaalsContact O-OG1 3.06Å |
| 168 | M | 93.2 | Very high | 89.7 | Confident | 119 Ų | 119 | 51.9 Ų | 51.9 | 59% | 0.586 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.9 | -48.4 | 177.6 | -172.6 | -174.9 | 75.2 | 0 | 0 | 111.9 | S164 A165 S170 T171 I172 | S164-M168 PolarHBondContact O-N 2.89Å; S164-M168 VanDerWaalsContact O-N 3.09Å; A165-M168 PolarHBondContact O-N 3.22Å; M168-S170 VanDerWaalsContact C-N 3.27Å; M168-S170 PolarHBondContact O-N 2.93Å; M168-T171 PolarHBondContact O-N 3.34Å; M168-I172 HydrophobicContact CG-CD1 4.17Å; M168-I172 WeakPolarHBondContact O-CG1 3.36Å; M168-I172 PolarHBondContact O-N 3.35Å |
| 169 | I | 92.6 | Very high | 90 | Very high | 23 Ų | 23 | 52.5 Ų | 52.5 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 176.2 | -71.1 | 166.9 | 0 | 0 | 0 | 109.9 | L156 F157 A165 A166 T171 I172 S173 W241 | L156-I169 HydrophobicContact CD1-CD1 3.83Å; L156-I169 HydrophobicContact CD2-CD1 3.61Å; L156-I169 HydrophobicContact CG-CD1 3.53Å; F157-I169 HydrophobicContact CD1-CG2 4.23Å; F157-I169 HydrophobicContact CE1-CG2 4.13Å; A165-I169 WeakPolarHBondContact O-CG1 3.4Å; A165-I169 PolarHBondContact O-N 2.9Å; A166-I169 PolarHBondContact O-N 3.31Å; I169-T171 VanDerWaalsContact C-N 3.34Å; I169-T171 PolarHBondContact O-N 3.39Å; I169-I172 WeakPolarHBondContact O-CB 3.35Å; I169-I172 PolarHBondContact O-N 3.5Å; I169-I172 VanDerWaalsContact O-N 3.12Å; I169-S173 PolarHBondContact O-N 3.43Å; I169-S173 PolarHBondContact O-OG 2.85Å; I169-W241 HydrophobicContact CG2-CZ2 4.43Å |
| 170 | S | 91.2 | Very high | 90.4 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 12% | 0.119 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 179 | 79.4 | 0 | 0 | 0 | 0 | 113.6 | A166 R167 M168 I172 S173 I174 | A166-S170 WeakPolarHBondContact O-CB 3.18Å; A166-S170 PolarHBondContact O-N 2.88Å; A166-S170 PolarHBondContact O-OG 2.83Å; R167-S170 WeakPolarHBondContact CA-OG 3.42Å; R167-S170 PolarHBondContact O-N 3.47Å; R167-S170 PolarHBondContact O-OG 3.25Å; M168-S170 VanDerWaalsContact C-N 3.27Å; M168-S170 PolarHBondContact O-N 2.93Å; S170-I172 VanDerWaalsContact C-N 3.33Å; S170-S173 WeakPolarHBondContact O-CB 3.5Å; S170-S173 PolarHBondContact O-N 3.4Å; S170-I174 VanDerWaalsContact O-CG1 3.24Å; S170-I174 WeakPolarHBondContact O-CG1 3.27Å; S170-I174 PolarHBondContact O-N 3.47Å |
| 171 | T | 92.3 | Very high | 90.8 | Very high | 91 Ų | 91 | 53 Ų | 53 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 111 | R167 M168 I169 I174 F175 | R167-T171 PolarHBondContact O-N 3.31Å; R167-T171 PolarHBondContact O-OG1 2.8Å; R167-T171 VanDerWaalsContact O-OG1 3.06Å; M168-T171 PolarHBondContact O-N 3.34Å; I169-T171 VanDerWaalsContact C-N 3.34Å; I169-T171 PolarHBondContact O-N 3.39Å; T171-I174 PolarHBondContact O-N 3.01Å; T171-F175 PolarHBondContact O-N 3.35Å |
| 172 | I | 93.8 | Very high | 91.3 | Very high | 59 Ų | 59 | 55.6 Ų | 55.6 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 174.8 | -66.7 | 165.9 | 0 | 0 | 0 | 110.5 | M168 I169 S170 I174 F175 F176 W241 | M168-I172 HydrophobicContact CG-CD1 4.17Å; M168-I172 WeakPolarHBondContact O-CG1 3.36Å; M168-I172 PolarHBondContact O-N 3.35Å; I169-I172 WeakPolarHBondContact O-CB 3.35Å; I169-I172 PolarHBondContact O-N 3.5Å; I169-I172 VanDerWaalsContact O-N 3.12Å; S170-I172 VanDerWaalsContact C-N 3.33Å; I172-I174 PolarHBondContact O-N 3.49Å; I172-F175 WeakPolarHBondContact O-CB 3.12Å; I172-F175 PolarHBondContact O-N 3.23Å; I172-F176 HydrophobicContact CG2-CD2 3.7Å; I172-F176 HydrophobicContact CG2-CE2 3.49Å; I172-F176 VanDerWaalsContact CG2-CE2 3.49Å; I172-F176 VanDerWaalsContact O-CD2 3.23Å; I172-F176 WeakPolarHBondContact O-CD2 3.49Å; I172-F176 PolarHBondContact O-N 3.32Å; I172-W241 HydrophobicContact CB-CZ2 4.41Å; I172-W241 HydrophobicContact CG2-CH2 4.08Å; I172-W241 HydrophobicContact CG2-CZ2 3.69Å |
| 173 | S | 92.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 174.9 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | I169 S170 F175 F176 I177 E245 H311 | I169-S173 PolarHBondContact O-N 3.43Å; I169-S173 PolarHBondContact O-OG 2.85Å; S170-S173 WeakPolarHBondContact O-CB 3.5Å; S170-S173 PolarHBondContact O-N 3.4Å; S173-F175 VanDerWaalsContact C-N 3.33Å; S173-F175 PolarHBondContact O-N 2.97Å; S173-F176 PolarHBondContact O-N 3.11Å; S173-I177 VanDerWaalsContact O-CG1 3.3Å; S173-I177 WeakPolarHBondContact O-CG1 3.46Å; S173-I177 PolarHBondContact O-N 3.28Å; S173-E245 WeakPolarHBondContact CB-OE1 3.11Å; S173-E245 PolarHBondContact OG-OE1 3.44Å; S173-H311 WeakPolarHBondContact CB-CE1 3.37Å; S173-H311 WeakPolarHBondContact CB-NE2 2.99Å |
| 174 | I | 93 | Very high | 91.5 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 177.5 | -66.9 | 163.6 | 0 | 0 | 0 | 110.5 | S170 T171 I172 F176 I177 C178 L308 H311 | S170-I174 VanDerWaalsContact O-CG1 3.24Å; S170-I174 WeakPolarHBondContact O-CG1 3.27Å; S170-I174 PolarHBondContact O-N 3.47Å; T171-I174 PolarHBondContact O-N 3.01Å; I172-I174 PolarHBondContact O-N 3.49Å; I174-F176 VanDerWaalsContact C-N 3.35Å; I174-F176 PolarHBondContact O-N 2.81Å; I174-I177 PolarHBondContact O-N 3.19Å; I174-C178 PolarHBondContact O-N 2.8Å; I174-C178 PolarHBondContact O-SG 3.07Å; I174-C178 VanDerWaalsContact O-SG 3.36Å; I174-L308 HydrophobicContact CG1-CD1 4.48Å; I174-H311 HydrophobicContact CD1-CB 3.92Å; I174-H311 HydrophobicContact CG1-CB 3.89Å |
| 175 | F | 94.6 | Very high | 91.5 | Very high | 124 Ų | 124 | 52.7 Ų | 52.7 | 54% | 0.544 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 175.2 | 170.9 | -97.8 | 0 | 0 | 0 | 111.9 | T171 I172 S173 I177 C178 L179 | T171-F175 PolarHBondContact O-N 3.35Å; I172-F175 WeakPolarHBondContact O-CB 3.12Å; I172-F175 PolarHBondContact O-N 3.23Å; S173-F175 VanDerWaalsContact C-N 3.33Å; S173-F175 PolarHBondContact O-N 2.97Å; F175-I177 VanDerWaalsContact C-N 3.34Å; F175-I177 PolarHBondContact O-N 3.47Å; F175-C178 PolarHBondContact O-N 3.3Å; F175-L179 HydrophobicContact CE1-CD2 4.15Å; F175-L179 HydrophobicContact CZ-CD2 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.49Å; F175-L179 PolarHBondContact O-N 3.33Å |
| 176 | F | 94.1 | Very high | 91.2 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -34.2 | 176.7 | -79.6 | -64.8 | 0 | 0 | 0 | 113.3 | I172 S173 I174 L179 S180 F237 C238 W241 F242 | I172-F176 HydrophobicContact CG2-CD2 3.7Å; I172-F176 HydrophobicContact CG2-CE2 3.49Å; I172-F176 VanDerWaalsContact CG2-CE2 3.49Å; I172-F176 VanDerWaalsContact O-CD2 3.23Å; I172-F176 WeakPolarHBondContact O-CD2 3.49Å; I172-F176 PolarHBondContact O-N 3.32Å; S173-F176 PolarHBondContact O-N 3.11Å; I174-F176 VanDerWaalsContact C-N 3.35Å; I174-F176 PolarHBondContact O-N 2.81Å; F176-L179 HydrophobicContact CD1-CD2 4.47Å; F176-S180 VanDerWaalsContact O-CB 3.27Å; F176-S180 WeakPolarHBondContact O-CB 3.33Å; F176-S180 PolarHBondContact O-N 2.87Å; F176-F237 AromaticContact CE1-CD1 3.63Å; F176-F237 HydrophobicContact CE1-CD1 3.63Å; F176-F237 AromaticContact CE1-CE1 3.47Å; F176-F237 HydrophobicContact CE1-CE1 3.47Å; F176-F237 VanDerWaalsContact CE1-CE1 3.47Å; F176-F237 HydrophobicContact CZ-CD1 4.2Å; F176-F237 AromaticContact CZ-CE1 3.58Å; F176-F237 HydrophobicContact CZ-CE1 3.58Å; F176-F237 HydrophobicContact CZ-CZ 4.36Å; F176-C238 HydrophobicContact CD1-CB 4.33Å; F176-W241 HydrophobicContact CD2-CB 4.25Å; F176-W241 AromaticContact CD2-CD1 3.45Å; F176-W241 VanDerWaalsContact CD2-CD1 3.45Å; F176-W241 AromaticContact CD2-CD2 3.95Å; F176-W241 HydrophobicContact CD2-CD2 3.95Å; F176-W241 AromaticContact CD2-CG 3.61Å; F176-W241 HydrophobicContact CD2-CG 3.61Å; F176-W241 AromaticContact CD2-NE1 3.72Å; F176-W241 HydrophobicContact CE2-CB 4.3Å; F176-W241 AromaticContact CE2-CD2 3.81Å; F176-W241 HydrophobicContact CE2-CD2 3.81Å; F176-W241 HydrophobicContact CE2-CE3 4.27Å; F176-W241 AromaticContact CE2-CG 3.79Å; F176-W241 HydrophobicContact CE2-CG 3.79Å; F176-W241 HydrophobicContact CG-CB 4.45Å; F176-W241 AromaticContact CG-CD1 3.93Å; F176-W241 HydrophobicContact CG-CG 4.17Å; F176-F242 HydrophobicContact CB-CE1 3.81Å; F176-F242 HydrophobicContact CB-CZ 4.03Å |
| 177 | I | 92.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 172.9 | -67.4 | 163.8 | 0 | 0 | 0 | 110.2 | S173 I174 F175 S180 T181 F242 R307 | S173-I177 VanDerWaalsContact O-CG1 3.3Å; S173-I177 WeakPolarHBondContact O-CG1 3.46Å; S173-I177 PolarHBondContact O-N 3.28Å; I174-I177 PolarHBondContact O-N 3.19Å; F175-I177 VanDerWaalsContact C-N 3.34Å; F175-I177 PolarHBondContact O-N 3.47Å; I177-S180 PolarHBondContact O-N 2.67Å; I177-T181 WeakPolarHBondContact O-CB 3.49Å; I177-T181 PolarHBondContact O-N 2.95Å; I177-T181 PolarHBondContact O-OG1 3.44Å; I177-F242 HydrophobicContact CG1-CE1 3.96Å; I177-F242 HydrophobicContact CG1-CZ 4Å; I177-R307 HydrophobicContact CD1-CB 3.77Å; I177-R307 HydrophobicContact CG1-CB 4.21Å |
| 178 | C | 93 | Very high | 90.3 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 52% | 0.52 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 176.8 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | I174 F175 T181 L182 | I174-C178 PolarHBondContact O-N 2.8Å; I174-C178 PolarHBondContact O-SG 3.07Å; I174-C178 VanDerWaalsContact O-SG 3.36Å; F175-C178 PolarHBondContact O-N 3.3Å; C178-T181 PolarHBondContact O-N 3.3Å; C178-L182 WeakPolarHBondContact O-CB 3.17Å; C178-L182 PolarHBondContact O-N 3.15Å |
| 179 | L | 93.4 | Very high | 89.6 | Confident | 44 Ų | 44 | 49 Ų | 49 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 178 | -178.4 | 59.8 | 0 | 0 | 0 | 111.7 | F175 F176 T181 L182 V183 V234 | F175-L179 HydrophobicContact CE1-CD2 4.15Å; F175-L179 HydrophobicContact CZ-CD2 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.49Å; F175-L179 PolarHBondContact O-N 3.33Å; F176-L179 HydrophobicContact CD1-CD2 4.47Å; L179-T181 VanDerWaalsContact C-N 3.33Å; L179-T181 PolarHBondContact O-N 2.84Å; L179-L182 PolarHBondContact O-N 2.96Å; L179-V183 WeakPolarHBondContact O-CG2 3.38Å; L179-V183 PolarHBondContact O-N 2.76Å; L179-V234 HydrophobicContact CD1-CG1 4.13Å; L179-V234 HydrophobicContact CD2-CG1 3.93Å; L179-V234 HydrophobicContact CG-CG1 3.96Å |
| 180 | S | 90.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 177.2 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | F176 I177 V183 F184 R304 | F176-S180 VanDerWaalsContact O-CB 3.27Å; F176-S180 WeakPolarHBondContact O-CB 3.33Å; F176-S180 PolarHBondContact O-N 2.87Å; I177-S180 PolarHBondContact O-N 2.67Å; S180-V183 PolarHBondContact O-N 3.05Å; S180-F184 WeakPolarHBondContact O-CB 3.36Å; S180-F184 PolarHBondContact O-N 3.24Å; S180-R304 PolarHBondContact OG-NH1 2.77Å |
| 181 | T | 89.4 | Confident | 87.7 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 175.5 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | I177 C178 L179 F184 C185 L305 | I177-T181 WeakPolarHBondContact O-CB 3.49Å; I177-T181 PolarHBondContact O-N 2.95Å; I177-T181 PolarHBondContact O-OG1 3.44Å; C178-T181 PolarHBondContact O-N 3.3Å; L179-T181 VanDerWaalsContact C-N 3.33Å; L179-T181 PolarHBondContact O-N 2.84Å; T181-F184 WeakPolarHBondContact O-CB 3.25Å; T181-F184 PolarHBondContact O-N 3.06Å; T181-C185 PolarHBondContact O-N 3.5Å; T181-C185 PolarHBondContact O-SG 3.07Å; T181-C185 VanDerWaalsContact O-SG 3.32Å; T181-L305 HydrophobicContact CG2-CD1 4.42Å |
| 182 | L | 90.5 | Very high | 86.6 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 174.8 | -178.7 | 66.8 | 0 | 0 | 0 | 111.2 | C178 L179 F184 C185 L186 | C178-L182 WeakPolarHBondContact O-CB 3.17Å; C178-L182 PolarHBondContact O-N 3.15Å; L179-L182 PolarHBondContact O-N 2.96Å; L182-F184 VanDerWaalsContact C-N 3.26Å; L182-F184 PolarHBondContact O-N 3.18Å; L182-C185 WeakPolarHBondContact O-CB 3.37Å; L182-C185 PolarHBondContact O-N 2.89Å; L182-C185 VanDerWaalsContact O-N 3.12Å; L182-L186 HydrophobicContact CD1-CG 4.47Å; L182-L186 HydrophobicContact CG-CD1 4.11Å; L182-L186 HydrophobicContact CG-CG 4.4Å; L182-L186 WeakPolarHBondContact O-CG 3.39Å; L182-L186 PolarHBondContact O-N 3.27Å |
| 183 | V | 88.6 | Confident | 85.3 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L179 S180 L186 K187 L231 V234 D235 | L179-V183 WeakPolarHBondContact O-CG2 3.38Å; L179-V183 PolarHBondContact O-N 2.76Å; S180-V183 PolarHBondContact O-N 3.05Å; V183-L186 PolarHBondContact O-N 3.3Å; V183-K187 HydrophobicContact CG1-CD 4.24Å; V183-K187 HydrophobicContact CG1-CG 4.35Å; V183-K187 WeakPolarHBondContact O-CB 3.43Å; V183-K187 WeakPolarHBondContact O-CG 3.43Å; V183-K187 PolarHBondContact O-N 3.06Å; V183-L231 HydrophobicContact CG1-CB 4.39Å; V183-V234 HydrophobicContact CG2-CB 4.27Å; V183-V234 HydrophobicContact CG2-CG1 3.71Å; V183-D235 HydrophobicContact CG1-CB 4.18Å |
| 184 | F | 86.5 | Confident | 83.9 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 25% | 0.254 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 173.3 | 171.4 | -101.5 | 0 | 0 | 0 | 112 | S180 T181 L182 K187 A188 R301 I302 | S180-F184 WeakPolarHBondContact O-CB 3.36Å; S180-F184 PolarHBondContact O-N 3.24Å; T181-F184 WeakPolarHBondContact O-CB 3.25Å; T181-F184 PolarHBondContact O-N 3.06Å; L182-F184 VanDerWaalsContact C-N 3.26Å; L182-F184 PolarHBondContact O-N 3.18Å; F184-K187 PolarHBondContact O-N 3.11Å; F184-A188 PolarHBondContact O-N 2.88Å; F184-R301 HydrophobicContact CD2-CB 3.72Å; F184-R301 HydrophobicContact CE2-CB 4Å; F184-I302 HydrophobicContact CZ-CB 4.34Å |
| 185 | C | 87.1 | Confident | 82.3 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | T181 L182 A188 Q189 | T181-C185 PolarHBondContact O-N 3.5Å; T181-C185 PolarHBondContact O-SG 3.07Å; T181-C185 VanDerWaalsContact O-SG 3.32Å; L182-C185 WeakPolarHBondContact O-CB 3.37Å; L182-C185 PolarHBondContact O-N 2.89Å; L182-C185 VanDerWaalsContact O-N 3.12Å; C185-A188 WeakPolarHBondContact O-CB 3.42Å; C185-A188 PolarHBondContact O-N 2.82Å; C185-A188 VanDerWaalsContact O-N 3.16Å; C185-Q189 PolarHBondContact O-N 3.05Å |
| 186 | L | 86.7 | Confident | 80.6 | Confident | 51 Ų | 51 | 57 Ų | 57 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66 | -37 | 178.7 | -68.3 | 175.5 | 0 | 0 | 0 | 112.1 | L182 V183 A188 Q189 F192 L231 | L182-L186 HydrophobicContact CD1-CG 4.47Å; L182-L186 HydrophobicContact CG-CD1 4.11Å; L182-L186 HydrophobicContact CG-CG 4.4Å; L182-L186 WeakPolarHBondContact O-CG 3.39Å; L182-L186 PolarHBondContact O-N 3.27Å; V183-L186 PolarHBondContact O-N 3.3Å; L186-A188 PolarHBondContact O-N 3.02Å; L186-Q189 WeakPolarHBondContact O-CB 3.36Å; L186-Q189 PolarHBondContact O-N 3.02Å; L186-Q189 VanDerWaalsContact O-N 3.12Å; L186-F192 HydrophobicContact CD2-CE2 3.9Å; L186-F192 HydrophobicContact CD2-CZ 4.2Å; L186-L231 HydrophobicContact CB-CD1 4.43Å; L186-L231 HydrophobicContact CB-CD2 4.44Å; L186-L231 HydrophobicContact CD1-CD2 4.26Å |
| 187 | K | 80.6 | Confident | 78.8 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.4 | -24 | 173.7 | -78.7 | -178.3 | 176.1 | 177.7 | 0 | 113.1 | V183 F184 T227 L231 D235 | V183-K187 HydrophobicContact CG1-CD 4.24Å; V183-K187 HydrophobicContact CG1-CG 4.35Å; V183-K187 WeakPolarHBondContact O-CB 3.43Å; V183-K187 WeakPolarHBondContact O-CG 3.43Å; V183-K187 PolarHBondContact O-N 3.06Å; F184-K187 PolarHBondContact O-N 3.11Å; K187-T227 HydrophobicContact CB-CG2 4.41Å; K187-T227 HydrophobicContact CD-CG2 4.49Å; K187-T227 HydrophobicContact CG-CG2 4.01Å; K187-L231 HydrophobicContact CG-CD1 4.3Å; K187-D235 IonicContact NZ-OD2 3.79Å; K187-D235 PolarHBondContact NZ-OD2 3.25Å |
| 188 | A | 79.8 | Confident | 77 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 62% | 0.62 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F184 C185 L186 | F184-A188 PolarHBondContact O-N 2.88Å; C185-A188 WeakPolarHBondContact O-CB 3.42Å; C185-A188 PolarHBondContact O-N 2.82Å; C185-A188 VanDerWaalsContact O-N 3.16Å; L186-A188 PolarHBondContact O-N 3.02Å |
| 189 | Q | 80.1 | Confident | 75.2 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 48% | 0.477 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -77.7 | 129.7 | -179.8 | -71.8 | -63.7 | -56.3 | 0 | 0 | 110.8 | C185 L186 S191 F192 | C185-Q189 PolarHBondContact O-N 3.05Å; L186-Q189 WeakPolarHBondContact O-CB 3.36Å; L186-Q189 PolarHBondContact O-N 3.02Å; L186-Q189 VanDerWaalsContact O-N 3.12Å; Q189-S191 PolarHBondContact O-N 3.43Å; Q189-S191 VanDerWaalsContact O-N 3.16Å; Q189-F192 HydrophobicContact CB-CD2 3.87Å; Q189-F192 HydrophobicContact CB-CE2 4.42Å; Q189-F192 PolarHBondContact O-N 3.2Å; Q189-F192 VanDerWaalsContact O-N 3.16Å |
| 190 | P | 71.6 | Confident | 73.3 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -61.7 | -26.8 | -178.4 | 24.6 | -33.6 | 0 | 0 | 0 | 112.8 | F192 V193 | P190-F192 PolarHBondContact O-N 3.08Å; P190-V193 WeakPolarHBondContact O-CB 2.83Å; P190-V193 PolarHBondContact O-N 3.18Å; P190-V193 VanDerWaalsContact O-N 3.11Å |
| 191 | S | 72.3 | Confident | 71.6 | Confident | 104 Ų | 104 | 73.5 Ų | 73.5 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -63.3 | -24.2 | 178.4 | -53.3 | 0 | 0 | 0 | 0 | 114.3 | Q189 | Q189-S191 PolarHBondContact O-N 3.43Å; Q189-S191 VanDerWaalsContact O-N 3.16Å |
| 192 | F | 67.8 | Low | 70.1 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 34% | 0.342 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -98.5 | 5.5 | 178.6 | -65.3 | -86 | 0 | 0 | 0 | 112.7 | L186 Q189 P190 V194 L231 | L186-F192 HydrophobicContact CD2-CE2 3.9Å; L186-F192 HydrophobicContact CD2-CZ 4.2Å; Q189-F192 HydrophobicContact CB-CD2 3.87Å; Q189-F192 HydrophobicContact CB-CE2 4.42Å; Q189-F192 PolarHBondContact O-N 3.2Å; Q189-F192 VanDerWaalsContact O-N 3.16Å; P190-F192 PolarHBondContact O-N 3.08Å; F192-V194 PolarHBondContact O-N 3.32Å; F192-L231 HydrophobicContact CB-CD1 4.12Å; F192-L231 HydrophobicContact CD1-CD1 4.16Å; F192-L231 HydrophobicContact CG-CD1 4.29Å |
| 193 | V | 66.2 | Low | 68.5 | Low | 45 Ų | 45 | 72.9 Ų | 72.9 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 98.6 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | P190 P195 T225 | P190-V193 WeakPolarHBondContact O-CB 2.83Å; P190-V193 PolarHBondContact O-N 3.18Å; P190-V193 VanDerWaalsContact O-N 3.11Å; V193-P195 WeakPolarHBondContact O-CD 3.15Å; V193-T225 VanDerWaalsContact CG1-CB 3.41Å; V193-T225 HydrophobicContact CG1-CG2 3.43Å; V193-T225 VanDerWaalsContact CG1-CG2 3.43Å |
| 194 | V | 64.3 | Low | 67.1 | Low | 70 Ų | 70 | 76 Ų | 76 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.7 | 177.2 | -171.9 | 0 | 0 | 0 | 0 | 108.5 | F192 N196 T225 T226 | F192-V194 PolarHBondContact O-N 3.32Å; V194-N196 PolarHBondContact O-N 3.37Å; V194-T225 CarbonylContact O-C 3.54Å; V194-T225 VanDerWaalsContact O-CA 3.26Å; V194-T225 WeakPolarHBondContact O-CA 3.47Å; V194-T226 PolarHBondContact N-O 3.36Å; V194-T226 PolarHBondContact O-N 3.41Å |
| 195 | P | 59.2 | Low | 65.9 | Low | 76 Ų | 76 | 79.1 Ų | 79.1 | 49% | 0.494 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 106.5 | 172.7 | 28.9 | -31.2 | 0 | 0 | 0 | 109.5 | V193 L197 V223 T225 | V193-P195 WeakPolarHBondContact O-CD 3.15Å; P195-L197 PolarHBondContact O-N 3.37Å; P195-V223 HydrophobicContact CB-CG1 3.54Å; P195-T225 HydrophobicContact CB-CG2 4.38Å |
| 196 | N | 58.8 | Low | 64.5 | Low | 66 Ų | 66 | 80.2 Ų | 80.2 | 35% | 0.353 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 117.1 | 163.2 | -64.4 | -28.7 | 0 | 0 | 0 | 108.1 | V194 E198 V223 R224 T226 | V194-N196 PolarHBondContact O-N 3.37Å; N196-E198 PolarHBondContact O-N 3.16Å; N196-V223 CarbonylContact O-C 3.6Å; N196-R224 WeakPolarHBondContact CA-O 3.35Å; N196-R224 WeakPolarHBondContact CB-O 3.5Å; N196-R224 PolarHBondContact N-O 3.2Å; N196-R224 PolarHBondContact O-N 3Å; N196-T226 WeakPolarHBondContact ND2-CG2 3.4Å; N196-T226 PolarHBondContact ND2-OG1 3.25Å |
| 197 | L | 55.8 | Low | 63.1 | Low | 107 Ų | 107 | 89.1 Ų | 89.1 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 110 | 164.5 | -99.2 | 67.4 | 0 | 0 | 0 | 107.9 | P195 V223 | P195-L197 PolarHBondContact O-N 3.37Å; L197-V223 HydrophobicContact CD1-CG2 4.12Å |
| 198 | E | 55.2 | Low | 62.1 | Low | 77 Ų | 77 | 90 Ų | 90 | 36% | 0.36 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.6 | 162.3 | -78.5 | -176.4 | -166.4 | 0 | 0 | 107.9 | N196 M200 Q222 R224 | N196-E198 PolarHBondContact O-N 3.16Å; E198-M200 PolarHBondContact O-N 3.28Å; E198-Q222 PolarHBondContact N-O 2.88Å; E198-R224 WeakPolarHBondContact OE1-CD 3.18Å; E198-R224 IonicContact OE1-CZ 2.89Å; E198-R224 IonicContact OE1-NE 3.72Å; E198-R224 IonicContact OE1-NH1 3.33Å; E198-R224 PolarHBondContact OE1-NH1 3.11Å |
| 199 | N | 54.9 | Low | 61.4 | Low | 126 Ų | 126 | 93.7 Ų | 93.7 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 76.8 | 175.6 | -78.7 | -7.4 | 0 | 0 | 0 | 110.2 | T201 L220 | N199-T201 PolarHBondContact O-N 2.95Å; N199-L220 HydrophobicContact CB-CD2 4.13Å; N199-L220 WeakPolarHBondContact OD1-CD2 3.43Å |
| 200 | M | 54 | Low | 60.7 | Low | 87 Ų | 87 | 94.5 Ų | 94.5 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 108.3 | 165.9 | -83.8 | -115.2 | -84.4 | 0 | 0 | 109 | E198 A202 Q222 | E198-M200 PolarHBondContact O-N 3.28Å; M200-A202 PolarHBondContact O-N 3.42Å; M200-Q222 HydrophobicContact CE-CG 4.1Å; M200-Q222 VanDerWaalsContact CE-NE2 3.31Å |
| 201 | T | 54.5 | Low | 60.1 | Low | 101 Ų | 101 | 95.8 Ų | 95.8 | 62% | 0.62 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 87.1 | 170.2 | 57.5 | 0 | 0 | 0 | 0 | 109.3 | N199 I218 | N199-T201 PolarHBondContact O-N 2.95Å; T201-I218 HydrophobicContact CG2-CG2 3.72Å |
| 202 | A | 57.3 | Low | 59.8 | Low | 39 Ų | 39 | 94.9 Ų | 94.9 | 32% | 0.322 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 120 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | M200 V204 | M200-A202 PolarHBondContact O-N 3.42Å; A202-V204 HydrophobicContact CB-CG2 4.44Å; A202-V204 PolarHBondContact O-N 3.32Å; A202-V204 VanDerWaalsContact O-N 3.15Å |
| 203 | I | 58.1 | Low | 59.6 | Low | 82 Ų | 82 | 93.7 Ų | 93.7 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 99.5 | 170.1 | -58.2 | 175.9 | 0 | 0 | 0 | 106.7 | F205 K216 | I203-F205 HydrophobicContact CB-CE2 4.35Å; I203-F205 HydrophobicContact CG2-CD1 4.45Å; I203-F205 HydrophobicContact CG2-CD2 4.02Å; I203-F205 HydrophobicContact CG2-CE1 4.03Å; I203-F205 HydrophobicContact CG2-CE2 3.54Å; I203-F205 HydrophobicContact CG2-CG 4.45Å; I203-F205 HydrophobicContact CG2-CZ 3.55Å; I203-K216 HydrophobicContact CG2-CD 4.46Å; I203-K216 HydrophobicContact CG2-CG 4.16Å |
| 204 | V | 58.9 | Low | 59.2 | Low | 69 Ų | 69 | 98 Ų | 98 | 42% | 0.418 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 113.9 | 173.1 | -175.8 | 0 | 0 | 0 | 0 | 108 | A202 N206 | A202-V204 HydrophobicContact CB-CG2 4.44Å; A202-V204 PolarHBondContact O-N 3.32Å; A202-V204 VanDerWaalsContact O-N 3.15Å; V204-N206 PolarHBondContact O-N 3.11Å |
| 205 | F | 61.7 | Low | 59 | Low | 124 Ų | 124 | 97 Ų | 97 | 54% | 0.544 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 100.3 | 172.6 | -63.8 | -85.8 | 0 | 0 | 0 | 109 | I203 | I203-F205 HydrophobicContact CB-CE2 4.35Å; I203-F205 HydrophobicContact CG2-CD1 4.45Å; I203-F205 HydrophobicContact CG2-CD2 4.02Å; I203-F205 HydrophobicContact CG2-CE1 4.03Å; I203-F205 HydrophobicContact CG2-CE2 3.54Å; I203-F205 HydrophobicContact CG2-CG 4.45Å; I203-F205 HydrophobicContact CG2-CZ 3.55Å |
| 206 | N | 57 | Low | 58.7 | Low | 91 Ų | 91 | 99.9 Ų | 99.9 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 120.2 | 161.7 | -74.7 | -6.9 | 0 | 0 | 0 | 107.8 | V204 S208 | V204-N206 PolarHBondContact O-N 3.11Å; N206-S208 PolarHBondContact O-N 3.29Å |
| 207 | W | 57 | Low | 58.8 | Low | 238 Ų | 238 | 103.4 Ų | 103.4 | 90% | 0.902 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62.9 | 103.2 | 161.9 | -98.3 | 58.4 | 0 | 0 | 0 | 106.7 | ||
| 208 | S | 59 | Low | 58.9 | Low | 34 Ų | 34 | 103.9 Ų | 103.9 | 24% | 0.238 | 56% | 0.556 | C | S | . | * | trans | -66.3 | 148.9 | 168.9 | 74 | 0 | 0 | 0 | 0 | 108.6 | N206 I210 S213 | N206-S208 PolarHBondContact O-N 3.29Å; S208-I210 PolarHBondContact O-N 2.78Å; S208-I210 PolarHBondContact OG-O 3.05Å; S208-I210 VanDerWaalsContact OG-O 3.07Å; S208-S213 WeakPolarHBondContact CB-O 3.2Å; S208-S213 WeakPolarHBondContact OG-CB 3.46Å; S208-S213 PolarHBondContact OG-O 3.45Å | ||
| 209 | V | 65.7 | Low | 59 | Low | 152 Ų | 152 | 101.2 Ų | 101.2 | 92% | 0.921 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -59.3 | -14.5 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 210 | I | 65.7 | Low | 59.1 | Low | 120 Ų | 120 | 100 Ų | 100 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -92.9 | 115.6 | 176.2 | -55.6 | 173.7 | 0 | 0 | 0 | 109.1 | S208 G212 S213 | S208-I210 PolarHBondContact O-N 2.78Å; S208-I210 PolarHBondContact OG-O 3.05Å; S208-I210 VanDerWaalsContact OG-O 3.07Å; I210-G212 PolarHBondContact O-N 3.37Å; I210-G212 VanDerWaalsContact O-N 3.12Å; I210-S213 PolarHBondContact O-N 3.09Å |
| 211 | P | 59.8 | Low | 59.1 | Low | 126 Ų | 126 | 100.1 Ų | 100.1 | 82% | 0.818 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 120.4 | 176.1 | -8.4 | 17.9 | 0 | 0 | 0 | 110 | ||
| 212 | G | 65.8 | Low | 59.2 | Low | 85 Ų | 85 | 99.4 Ų | 99.4 | 88% | 0.876 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.2 | -10.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | I210 | I210-G212 PolarHBondContact O-N 3.37Å; I210-G212 VanDerWaalsContact O-N 3.12Å |
| 213 | S | 62.2 | Low | 59 | Low | 52 Ų | 52 | 102 Ų | 102 | 36% | 0.364 | 55% | 0.55 | S | S | . | . | trans | -95.3 | 95.4 | 173 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | S208 I210 | S208-S213 WeakPolarHBondContact CB-O 3.2Å; S208-S213 WeakPolarHBondContact OG-CB 3.46Å; S208-S213 PolarHBondContact OG-O 3.45Å; I210-S213 PolarHBondContact O-N 3.09Å | ||
| 214 | Q | 59 | Low | 58.7 | Low | 137 Ų | 137 | 102.6 Ų | 102.6 | 64% | 0.64 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 103.7 | 167.9 | -68.1 | -161.4 | -8.6 | 0 | 0 | 109.6 | K216 | Q214-K216 PolarHBondContact O-N 2.74Å |
| 215 | T | 59.4 | Low | 58.5 | Low | 47 Ų | 47 | 100.8 Ų | 100.8 | 29% | 0.288 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 109.4 | 169.7 | 50.9 | 0 | 0 | 0 | 0 | 109.3 | Y217 | T215-Y217 HydrophobicContact CG2-CE2 4.45Å; T215-Y217 PolarHBondContact O-N 2.92Å; T215-Y217 VanDerWaalsContact OG1-CE2 3.28Å; T215-Y217 WeakPolarHBondContact OG1-CE2 3.38Å |
| 216 | K | 53.3 | Low | 58.2 | Low | 138 Ų | 138 | 97.2 Ų | 97.2 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 105 | 174 | -176.3 | 174.4 | -176.6 | -179.1 | 0 | 109.1 | I203 Q214 | I203-K216 HydrophobicContact CG2-CD 4.46Å; I203-K216 HydrophobicContact CG2-CG 4.16Å; Q214-K216 PolarHBondContact O-N 2.74Å |
| 217 | Y | 60.2 | Low | 58.4 | Low | 140 Ų | 140 | 93.9 Ų | 93.9 | 55% | 0.549 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133.6 | 168.1 | -60.3 | -77.8 | 0 | 0 | 0 | 109.7 | T215 G219 | T215-Y217 HydrophobicContact CG2-CE2 4.45Å; T215-Y217 PolarHBondContact O-N 2.92Å; T215-Y217 VanDerWaalsContact OG1-CE2 3.28Å; T215-Y217 WeakPolarHBondContact OG1-CE2 3.38Å; Y217-G219 PolarHBondContact O-N 3.33Å |
| 218 | I | 57.5 | Low | 59 | Low | 116 Ų | 116 | 85.8 Ų | 85.8 | 60% | 0.595 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 102.6 | 168.2 | -62.6 | 169.2 | 0 | 0 | 0 | 106.1 | T201 | T201-I218 HydrophobicContact CG2-CG2 3.72Å |
| 219 | G | 58.1 | Low | 59.9 | Low | 22 Ų | 22 | 90.1 Ų | 90.1 | 23% | 0.227 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y217 T221 | Y217-G219 PolarHBondContact O-N 3.33Å; G219-T221 PolarHBondContact O-N 3.12Å |
| 220 | L | 56.5 | Low | 60.8 | Low | 100 Ų | 100 | 87.2 Ų | 87.2 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 105.8 | 166.1 | -65.7 | 166.8 | 0 | 0 | 0 | 107.6 | N199 | N199-L220 HydrophobicContact CB-CD2 4.13Å; N199-L220 WeakPolarHBondContact OD1-CD2 3.43Å |
| 221 | T | 55.5 | Low | 61.8 | Low | 90 Ų | 90 | 82.3 Ų | 82.3 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 7.4 | -171 | 52 | 0 | 0 | 0 | 0 | 116.3 | G219 | G219-T221 PolarHBondContact O-N 3.12Å |
| 222 | Q | 56 | Low | 62.9 | Low | 85 Ų | 85 | 78 Ų | 78 | 40% | 0.397 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 102.6 | 176.6 | -66.3 | -166.4 | -11.8 | 0 | 0 | 113.3 | E198 M200 R224 | E198-Q222 PolarHBondContact N-O 2.88Å; M200-Q222 HydrophobicContact CE-CG 4.1Å; M200-Q222 VanDerWaalsContact CE-NE2 3.31Å; Q222-R224 PolarHBondContact O-N 3.31Å |
| 223 | V | 53.1 | Low | 64 | Low | 94 Ų | 94 | 80.6 Ų | 80.6 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 98.7 | 160.6 | 179.6 | 0 | 0 | 0 | 0 | 106.7 | P195 N196 L197 T225 | P195-V223 HydrophobicContact CB-CG1 3.54Å; N196-V223 CarbonylContact O-C 3.6Å; L197-V223 HydrophobicContact CD1-CG2 4.12Å; V223-T225 HydrophobicContact CG1-CG2 4.22Å |
| 224 | R | 52.4 | Low | 65.4 | Low | 94 Ų | 94 | 80 Ų | 80 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 102.2 | 172.5 | -168 | 176.4 | -163.2 | 180 | 7.3 | 108.5 | N196 E198 Q222 T226 | N196-R224 WeakPolarHBondContact CA-O 3.35Å; N196-R224 WeakPolarHBondContact CB-O 3.5Å; N196-R224 PolarHBondContact N-O 3.2Å; N196-R224 PolarHBondContact O-N 3Å; E198-R224 WeakPolarHBondContact OE1-CD 3.18Å; E198-R224 IonicContact OE1-CZ 2.89Å; E198-R224 IonicContact OE1-NE 3.72Å; E198-R224 IonicContact OE1-NH1 3.33Å; E198-R224 PolarHBondContact OE1-NH1 3.11Å; Q222-R224 PolarHBondContact O-N 3.31Å; R224-T226 PolarHBondContact O-N 2.99Å |
| 225 | T | 54.4 | Low | 66.8 | Low | 32 Ų | 32 | 73.6 Ų | 73.6 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 111.3 | 175.1 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | V193 V194 P195 V223 Y291 | V193-T225 VanDerWaalsContact CG1-CB 3.41Å; V193-T225 HydrophobicContact CG1-CG2 3.43Å; V193-T225 VanDerWaalsContact CG1-CG2 3.43Å; V194-T225 CarbonylContact O-C 3.54Å; V194-T225 VanDerWaalsContact O-CA 3.26Å; V194-T225 WeakPolarHBondContact O-CA 3.47Å; P195-T225 HydrophobicContact CB-CG2 4.38Å; V223-T225 HydrophobicContact CG1-CG2 4.22Å; T225-Y291 WeakPolarHBondContact O-CE2 3.28Å; T225-Y291 WeakPolarHBondContact OG1-CE2 3.16Å; T225-Y291 PolarHBondContact OG1-OH 3.44Å |
| 226 | T | 55 | Low | 68.3 | Low | 48 Ų | 48 | 74.7 Ų | 74.7 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.3 | 168.9 | 57.7 | 0 | 0 | 0 | 0 | 109.1 | V194 N196 R224 | V194-T226 PolarHBondContact N-O 3.36Å; V194-T226 PolarHBondContact O-N 3.41Å; N196-T226 WeakPolarHBondContact ND2-CG2 3.4Å; N196-T226 PolarHBondContact ND2-OG1 3.25Å; R224-T226 PolarHBondContact O-N 2.99Å |
| 227 | T | 61.1 | Low | 70.2 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 13% | 0.129 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 143.6 | 161 | 42.8 | 0 | 0 | 0 | 0 | 109.4 | K187 D229 | K187-T227 HydrophobicContact CB-CG2 4.41Å; K187-T227 HydrophobicContact CD-CG2 4.49Å; K187-T227 HydrophobicContact CG-CG2 4.01Å; T227-D229 PolarHBondContact O-N 2.9Å |
| 228 | D | 68.7 | Low | 71.7 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | trans | -44.6 | 129.8 | 173.3 | -170.4 | -10.6 | 0 | 0 | 0 | 111.8 | V230 L231 L232 | D228-V230 PolarHBondContact O-N 2.97Å; D228-V230 VanDerWaalsContact O-N 3.12Å; D228-V230 PolarHBondContact OD1-N 3.11Å; D228-L231 HydrophobicContact CB-CD1 4.49Å; D228-L231 HydrophobicContact CB-CG 4.4Å; D228-L231 PolarHBondContact O-N 3.44Å; D228-L232 PolarHBondContact O-N 3.1Å | ||
| 229 | D | 77.7 | Confident | 73.3 | Confident | 125 Ų | 125 | 61.7 Ų | 61.7 | 67% | 0.668 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -55.2 | -30.1 | -180 | -73.2 | -27.4 | 0 | 0 | 0 | 111.5 | T227 L232 F233 | T227-D229 PolarHBondContact O-N 2.9Å; D229-L232 PolarHBondContact O-N 3.23Å; D229-F233 PolarHBondContact O-N 2.96Å |
| 230 | V | 86.1 | Confident | 75 | Confident | 91 Ų | 91 | 64.5 Ų | 64.5 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | D228 L232 F233 V234 | D228-V230 PolarHBondContact O-N 2.97Å; D228-V230 VanDerWaalsContact O-N 3.12Å; D228-V230 PolarHBondContact OD1-N 3.11Å; V230-L232 VanDerWaalsContact C-N 3.31Å; V230-L232 PolarHBondContact O-N 3.41Å; V230-F233 PolarHBondContact O-N 2.8Å; V230-V234 WeakPolarHBondContact O-CG2 3.17Å; V230-V234 PolarHBondContact O-N 3.3Å |
| 231 | L | 86.5 | Confident | 76.8 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.6 | -34 | 179.8 | -66.9 | 178.3 | 0 | 0 | 0 | 111.7 | V183 L186 K187 F192 D228 D235 | V183-L231 HydrophobicContact CG1-CB 4.39Å; L186-L231 HydrophobicContact CB-CD1 4.43Å; L186-L231 HydrophobicContact CB-CD2 4.44Å; L186-L231 HydrophobicContact CD1-CD2 4.26Å; K187-L231 HydrophobicContact CG-CD1 4.3Å; F192-L231 HydrophobicContact CB-CD1 4.12Å; F192-L231 HydrophobicContact CD1-CD1 4.16Å; F192-L231 HydrophobicContact CG-CD1 4.29Å; D228-L231 HydrophobicContact CB-CD1 4.49Å; D228-L231 HydrophobicContact CB-CG 4.4Å; D228-L231 PolarHBondContact O-N 3.44Å; L231-D235 WeakPolarHBondContact O-CB 3.33Å; L231-D235 PolarHBondContact O-N 2.86Å; L231-D235 VanDerWaalsContact O-N 3.12Å |
| 232 | L | 83.1 | Confident | 78.5 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 173.7 | -175.4 | 72.2 | 0 | 0 | 0 | 111.3 | D228 D229 V230 D235 L236 | D228-L232 PolarHBondContact O-N 3.1Å; D229-L232 PolarHBondContact O-N 3.23Å; V230-L232 VanDerWaalsContact C-N 3.31Å; V230-L232 PolarHBondContact O-N 3.41Å; L232-D235 WeakPolarHBondContact O-CB 3.34Å; L232-D235 PolarHBondContact O-N 2.97Å; L232-L236 PolarHBondContact O-N 3.48Å |
| 233 | F | 88.8 | Confident | 80.3 | Confident | 139 Ų | 139 | 55.1 Ų | 55.1 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 179.5 | -177.1 | -98.9 | 0 | 0 | 0 | 112.2 | D229 V230 D235 L236 F237 | D229-F233 PolarHBondContact O-N 2.96Å; V230-F233 PolarHBondContact O-N 2.8Å; F233-D235 VanDerWaalsContact C-N 3.28Å; F233-D235 PolarHBondContact O-N 3.32Å; F233-L236 PolarHBondContact O-N 3.48Å; F233-F237 PolarHBondContact O-N 2.85Å |
| 234 | V | 91.3 | Very high | 82.2 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.3 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | L179 V183 V230 F237 C238 | L179-V234 HydrophobicContact CD1-CG1 4.13Å; L179-V234 HydrophobicContact CD2-CG1 3.93Å; L179-V234 HydrophobicContact CG-CG1 3.96Å; V183-V234 HydrophobicContact CG2-CB 4.27Å; V183-V234 HydrophobicContact CG2-CG1 3.71Å; V230-V234 WeakPolarHBondContact O-CG2 3.17Å; V230-V234 PolarHBondContact O-N 3.3Å; V234-F237 PolarHBondContact O-N 3.46Å; V234-C238 PolarHBondContact O-N 3.42Å; V234-C238 PolarHBondContact O-SG 3.23Å |
| 235 | D | 88.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 177.7 | -161.1 | 16.2 | 0 | 0 | 0 | 112 | V183 K187 L231 L232 F233 F237 C238 N239 R304 | V183-D235 HydrophobicContact CG1-CB 4.18Å; K187-D235 IonicContact NZ-OD2 3.79Å; K187-D235 PolarHBondContact NZ-OD2 3.25Å; L231-D235 WeakPolarHBondContact O-CB 3.33Å; L231-D235 PolarHBondContact O-N 2.86Å; L231-D235 VanDerWaalsContact O-N 3.12Å; L232-D235 WeakPolarHBondContact O-CB 3.34Å; L232-D235 PolarHBondContact O-N 2.97Å; F233-D235 VanDerWaalsContact C-N 3.28Å; F233-D235 PolarHBondContact O-N 3.32Å; D235-F237 VanDerWaalsContact C-N 3.3Å; D235-F237 PolarHBondContact O-N 3.43Å; D235-C238 PolarHBondContact O-N 3.05Å; D235-N239 PolarHBondContact O-N 3.49Å; D235-N239 PolarHBondContact O-ND2 3.02Å; D235-N239 PolarHBondContact OD1-ND2 3.04Å; D235-R304 IonicContact OD1-CZ 3.56Å; D235-R304 IonicContact OD1-NH1 3.2Å; D235-R304 PolarHBondContact OD1-NH1 3.13Å; D235-R304 IonicContact OD1-NH2 2.75Å; D235-R304 IonicContact OD2-NH1 3.69Å |
| 236 | L | 89.9 | Confident | 86 | Confident | 71 Ų | 71 | 50 Ų | 50 | 37% | 0.372 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 174.1 | 174.4 | 62.9 | 0 | 0 | 0 | 111.3 | L232 F233 N239 T240 F275 | L232-L236 PolarHBondContact O-N 3.48Å; F233-L236 PolarHBondContact O-N 3.48Å; L236-N239 PolarHBondContact O-N 3.44Å; L236-T240 WeakPolarHBondContact O-CB 3.42Å; L236-T240 PolarHBondContact O-N 3.29Å; L236-T240 PolarHBondContact O-OG1 3.48Å; L236-F275 HydrophobicContact CB-CE2 4.35Å; L236-F275 HydrophobicContact CB-CZ 3.8Å; L236-F275 HydrophobicContact CD1-CE1 3.49Å; L236-F275 VanDerWaalsContact CD1-CE1 3.49Å; L236-F275 HydrophobicContact CD1-CZ 3.48Å; L236-F275 VanDerWaalsContact CD1-CZ 3.48Å; L236-F275 HydrophobicContact CG-CZ 4.23Å |
| 237 | F | 93 | Very high | 87.8 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 178.6 | -172.7 | -108.6 | 0 | 0 | 0 | 111.8 | F176 F233 V234 D235 N239 T240 W241 | F176-F237 AromaticContact CE1-CD1 3.63Å; F176-F237 HydrophobicContact CE1-CD1 3.63Å; F176-F237 AromaticContact CE1-CE1 3.47Å; F176-F237 HydrophobicContact CE1-CE1 3.47Å; F176-F237 VanDerWaalsContact CE1-CE1 3.47Å; F176-F237 HydrophobicContact CZ-CD1 4.2Å; F176-F237 AromaticContact CZ-CE1 3.58Å; F176-F237 HydrophobicContact CZ-CE1 3.58Å; F176-F237 HydrophobicContact CZ-CZ 4.36Å; F233-F237 PolarHBondContact O-N 2.85Å; V234-F237 PolarHBondContact O-N 3.46Å; D235-F237 VanDerWaalsContact C-N 3.3Å; D235-F237 PolarHBondContact O-N 3.43Å; F237-N239 PolarHBondContact O-N 2.91Å; F237-T240 PolarHBondContact O-N 2.92Å; F237-W241 PolarHBondContact O-N 2.97Å |
| 238 | C | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 174.6 | -62 | 0 | 0 | 0 | 0 | 111.6 | F176 V234 D235 T240 W241 F242 | F176-C238 HydrophobicContact CD1-CB 4.33Å; V234-C238 PolarHBondContact O-N 3.42Å; V234-C238 PolarHBondContact O-SG 3.23Å; D235-C238 PolarHBondContact O-N 3.05Å; C238-T240 VanDerWaalsContact C-N 3.31Å; C238-T240 PolarHBondContact O-N 2.76Å; C238-W241 WeakPolarHBondContact O-CB 3.41Å; C238-W241 PolarHBondContact O-N 2.69Å; C238-F242 HydrophobicContact CB-CE2 4.19Å; C238-F242 VanDerWaalsContact O-CD2 3.31Å; C238-F242 WeakPolarHBondContact O-CD2 3.27Å; C238-F242 VanDerWaalsContact O-CG 3.24Å; C238-F242 WeakPolarHBondContact O-CG 3.4Å; C238-F242 PolarHBondContact O-N 2.86Å |
| 239 | N | 91.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.3 | -29.3 | -179.7 | -73.9 | -61.8 | 0 | 0 | 0 | 113.3 | D235 L236 F237 F242 A243 F275 R304 | D235-N239 PolarHBondContact O-N 3.49Å; D235-N239 PolarHBondContact O-ND2 3.02Å; D235-N239 PolarHBondContact OD1-ND2 3.04Å; L236-N239 PolarHBondContact O-N 3.44Å; F237-N239 PolarHBondContact O-N 2.91Å; N239-F242 PolarHBondContact O-N 3.07Å; N239-A243 WeakPolarHBondContact O-CB 3.39Å; N239-A243 PolarHBondContact O-N 3.43Å; N239-F275 HydrophobicContact CB-CB 4Å; N239-F275 HydrophobicContact CB-CD1 3.84Å; N239-F275 HydrophobicContact CB-CD2 4.28Å; N239-F275 HydrophobicContact CB-CE1 4.43Å; N239-F275 HydrophobicContact CB-CG 3.76Å; N239-F275 VanDerWaalsContact CG-CG 3.5Å; N239-F275 WeakPolarHBondContact ND2-CB 3.42Å; N239-F275 WeakPolarHBondContact ND2-CD2 3.34Å; N239-F275 VanDerWaalsContact ND2-CG 3.27Å; N239-F275 WeakPolarHBondContact ND2-CG 3.36Å; N239-R304 PolarHBondContact ND2-NH1 3.03Å; N239-R304 PolarHBondContact ND2-NH2 2.71Å |
| 240 | T | 92.7 | Very high | 91.1 | Very high | 82 Ų | 82 | 47.6 Ų | 47.6 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 172.7 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | L236 F237 C238 F242 A243 F244 | L236-T240 WeakPolarHBondContact O-CB 3.42Å; L236-T240 PolarHBondContact O-N 3.29Å; L236-T240 PolarHBondContact O-OG1 3.48Å; F237-T240 PolarHBondContact O-N 2.92Å; C238-T240 VanDerWaalsContact C-N 3.31Å; C238-T240 PolarHBondContact O-N 2.76Å; T240-F242 VanDerWaalsContact C-N 3.35Å; T240-F242 PolarHBondContact O-N 3.43Å; T240-A243 PolarHBondContact O-N 3.27Å; T240-F244 WeakPolarHBondContact O-CB 3.35Å; T240-F244 PolarHBondContact O-N 3.49Å |
| 241 | W | 94.2 | Very high | 91.4 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 22% | 0.223 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 173 | 178.7 | -96.5 | 0 | 0 | 0 | 112 | I169 I172 F176 F237 C238 F244 E245 | I169-W241 HydrophobicContact CG2-CZ2 4.43Å; I172-W241 HydrophobicContact CB-CZ2 4.41Å; I172-W241 HydrophobicContact CG2-CH2 4.08Å; I172-W241 HydrophobicContact CG2-CZ2 3.69Å; F176-W241 HydrophobicContact CD2-CB 4.25Å; F176-W241 AromaticContact CD2-CD1 3.45Å; F176-W241 VanDerWaalsContact CD2-CD1 3.45Å; F176-W241 AromaticContact CD2-CD2 3.95Å; F176-W241 HydrophobicContact CD2-CD2 3.95Å; F176-W241 AromaticContact CD2-CG 3.61Å; F176-W241 HydrophobicContact CD2-CG 3.61Å; F176-W241 AromaticContact CD2-NE1 3.72Å; F176-W241 HydrophobicContact CE2-CB 4.3Å; F176-W241 AromaticContact CE2-CD2 3.81Å; F176-W241 HydrophobicContact CE2-CD2 3.81Å; F176-W241 HydrophobicContact CE2-CE3 4.27Å; F176-W241 AromaticContact CE2-CG 3.79Å; F176-W241 HydrophobicContact CE2-CG 3.79Å; F176-W241 HydrophobicContact CG-CB 4.45Å; F176-W241 AromaticContact CG-CD1 3.93Å; F176-W241 HydrophobicContact CG-CG 4.17Å; F237-W241 PolarHBondContact O-N 2.97Å; C238-W241 WeakPolarHBondContact O-CB 3.41Å; C238-W241 PolarHBondContact O-N 2.69Å; W241-F244 HydrophobicContact CE3-CD1 4.31Å; W241-F244 HydrophobicContact CZ3-CD1 4.29Å; W241-F244 HydrophobicContact CZ3-CE1 4.33Å; W241-F244 WeakPolarHBondContact O-CB 3.48Å; W241-F244 PolarHBondContact O-N 3.39Å; W241-E245 PolarHBondContact NE1-OE1 2.96Å; W241-E245 PolarHBondContact O-N 2.94Å |
| 242 | F | 92.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 177.3 | -67.7 | -23.8 | 0 | 0 | 0 | 113.9 | F176 I177 C238 N239 T240 F244 E245 I246 | F176-F242 HydrophobicContact CB-CE1 3.81Å; F176-F242 HydrophobicContact CB-CZ 4.03Å; I177-F242 HydrophobicContact CG1-CE1 3.96Å; I177-F242 HydrophobicContact CG1-CZ 4Å; C238-F242 HydrophobicContact CB-CE2 4.19Å; C238-F242 VanDerWaalsContact O-CD2 3.31Å; C238-F242 WeakPolarHBondContact O-CD2 3.27Å; C238-F242 VanDerWaalsContact O-CG 3.24Å; C238-F242 WeakPolarHBondContact O-CG 3.4Å; C238-F242 PolarHBondContact O-N 2.86Å; N239-F242 PolarHBondContact O-N 3.07Å; T240-F242 VanDerWaalsContact C-N 3.35Å; T240-F242 PolarHBondContact O-N 3.43Å; F242-F244 VanDerWaalsContact C-N 3.34Å; F242-E245 PolarHBondContact O-N 3.18Å; F242-I246 WeakPolarHBondContact O-CG1 3.44Å; F242-I246 PolarHBondContact O-N 3.05Å |
| 243 | A | 92.5 | Very high | 92 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | N239 T240 E245 I246 I247 T272 | N239-A243 WeakPolarHBondContact O-CB 3.39Å; N239-A243 PolarHBondContact O-N 3.43Å; T240-A243 PolarHBondContact O-N 3.27Å; A243-E245 PolarHBondContact O-N 3.39Å; A243-I246 PolarHBondContact O-N 3.42Å; A243-I247 WeakPolarHBondContact O-CB 3.18Å; A243-I247 WeakPolarHBondContact O-CD1 3.49Å; A243-I247 WeakPolarHBondContact O-CG1 3.34Å; A243-I247 PolarHBondContact O-N 3.29Å; A243-T272 HydrophobicContact CB-CG2 4.17Å |
| 244 | F | 94.2 | Very high | 91.9 | Very high | 87 Ų | 87 | 41.3 Ų | 41.3 | 38% | 0.382 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 174.8 | 170.8 | -103.2 | 0 | 0 | 0 | 112 | F157 T240 W241 F242 I246 I247 M248 | F157-F244 HydrophobicContact CE1-CD1 4.39Å; F157-F244 AromaticContact CE1-CE1 3.8Å; F157-F244 HydrophobicContact CE1-CE1 3.8Å; F157-F244 AromaticContact CZ-CE1 3.62Å; F157-F244 HydrophobicContact CZ-CE1 3.62Å; F157-F244 AromaticContact CZ-CZ 3.97Å; F157-F244 HydrophobicContact CZ-CZ 3.97Å; T240-F244 WeakPolarHBondContact O-CB 3.35Å; T240-F244 PolarHBondContact O-N 3.49Å; W241-F244 HydrophobicContact CE3-CD1 4.31Å; W241-F244 HydrophobicContact CZ3-CD1 4.29Å; W241-F244 HydrophobicContact CZ3-CE1 4.33Å; W241-F244 WeakPolarHBondContact O-CB 3.48Å; W241-F244 PolarHBondContact O-N 3.39Å; F242-F244 VanDerWaalsContact C-N 3.34Å; F244-I246 PolarHBondContact O-N 2.93Å; F244-I247 PolarHBondContact O-N 3.24Å; F244-M248 HydrophobicContact CD1-CG 4.39Å; F244-M248 HydrophobicContact CD2-CG 3.95Å; F244-M248 HydrophobicContact CE1-CG 4.02Å; F244-M248 HydrophobicContact CE2-CG 3.53Å; F244-M248 HydrophobicContact CE2-SD 3.8Å; F244-M248 HydrophobicContact CG-CG 4.36Å; F244-M248 HydrophobicContact CZ-CE 4.43Å; F244-M248 HydrophobicContact CZ-CG 3.57Å; F244-M248 HydrophobicContact CZ-SD 4.06Å; F244-M248 WeakPolarHBondContact O-CB 3.46Å; F244-M248 VanDerWaalsContact O-CG 3.26Å; F244-M248 WeakPolarHBondContact O-CG 3.33Å; F244-M248 PolarHBondContact O-N 3.01Å |
| 245 | E | 93.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 176.8 | -77.4 | -168.5 | -165.8 | 0 | 0 | 113 | F157 S173 W241 F242 A243 M248 R249 | F157-E245 HydrophobicContact CD1-CG 4.22Å; F157-E245 HydrophobicContact CE1-CG 4.28Å; S173-E245 WeakPolarHBondContact CB-OE1 3.11Å; S173-E245 PolarHBondContact OG-OE1 3.44Å; W241-E245 PolarHBondContact NE1-OE1 2.96Å; W241-E245 PolarHBondContact O-N 2.94Å; F242-E245 PolarHBondContact O-N 3.18Å; A243-E245 PolarHBondContact O-N 3.39Å; E245-M248 PolarHBondContact O-N 3.25Å; E245-R249 WeakPolarHBondContact O-CB 3.36Å; E245-R249 VanDerWaalsContact O-CG 3.26Å; E245-R249 WeakPolarHBondContact O-CG 3.49Å; E245-R249 PolarHBondContact O-N 2.89Å; E245-R249 IonicContact OE2-CZ 2.97Å; E245-R249 IonicContact OE2-NH1 3.82Å; E245-R249 PolarHBondContact OE2-NH1 3.26Å; E245-R249 IonicContact OE2-NH2 3.16Å; E245-R249 PolarHBondContact OE2-NH2 3.48Å |
| 246 | I | 91.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 178.1 | -66.8 | 177.5 | 0 | 0 | 0 | 110.4 | F242 A243 F244 M248 R249 F250 D268 T272 | F242-I246 WeakPolarHBondContact O-CG1 3.44Å; F242-I246 PolarHBondContact O-N 3.05Å; A243-I246 PolarHBondContact O-N 3.42Å; F244-I246 PolarHBondContact O-N 2.93Å; I246-M248 VanDerWaalsContact C-N 3.34Å; I246-M248 PolarHBondContact O-N 2.85Å; I246-R249 PolarHBondContact O-N 3.34Å; I246-F250 VanDerWaalsContact O-CB 3.27Å; I246-F250 WeakPolarHBondContact O-CB 3.49Å; I246-F250 PolarHBondContact O-N 3.06Å; I246-D268 HydrophobicContact CD1-CB 3.9Å; I246-D268 WeakPolarHBondContact CD1-O 3.33Å; I246-D268 HydrophobicContact CG1-CB 4Å; I246-T272 HydrophobicContact CD1-CG2 4.49Å; I246-T272 WeakPolarHBondContact CD1-OG1 3.34Å |
| 247 | I | 93.3 | Very high | 91.7 | Very high | 99 Ų | 99 | 52 Ų | 52 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | -180 | -69.5 | 164.6 | 0 | 0 | 0 | 110.3 | A243 F244 F250 T251 | A243-I247 WeakPolarHBondContact O-CB 3.18Å; A243-I247 WeakPolarHBondContact O-CD1 3.49Å; A243-I247 WeakPolarHBondContact O-CG1 3.34Å; A243-I247 PolarHBondContact O-N 3.29Å; F244-I247 PolarHBondContact O-N 3.24Å; I247-F250 PolarHBondContact O-N 3.24Å; I247-T251 HydrophobicContact CG2-CG2 4.25Å; I247-T251 WeakPolarHBondContact O-CB 3.42Å; I247-T251 VanDerWaalsContact O-CG2 3.24Å; I247-T251 WeakPolarHBondContact O-CG2 3.28Å; I247-T251 PolarHBondContact O-N 3.26Å; I247-T251 PolarHBondContact O-OG1 2.85Å |
| 248 | M | 93.4 | Very high | 91.4 | Very high | 37 Ų | 37 | 53.7 Ų | 53.7 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -48 | 175.6 | -70.1 | -62.2 | -72.8 | 0 | 0 | 110.6 | I153 F157 F244 E245 I246 F250 T251 F252 | I153-M248 HydrophobicContact CG2-CE 3.63Å; F157-M248 HydrophobicContact CD1-CB 4.34Å; F157-M248 HydrophobicContact CD2-CB 4.04Å; F157-M248 HydrophobicContact CD2-CE 4.36Å; F157-M248 HydrophobicContact CE1-CB 4.34Å; F157-M248 HydrophobicContact CE1-CG 4.43Å; F157-M248 HydrophobicContact CE2-CB 4.04Å; F157-M248 HydrophobicContact CE2-CE 3.65Å; F157-M248 HydrophobicContact CE2-CG 4.13Å; F157-M248 HydrophobicContact CG-CB 4.19Å; F157-M248 HydrophobicContact CZ-CB 4.19Å; F157-M248 HydrophobicContact CZ-CE 4.23Å; F157-M248 HydrophobicContact CZ-CG 4.02Å; F244-M248 HydrophobicContact CD1-CG 4.39Å; F244-M248 HydrophobicContact CD2-CG 3.95Å; F244-M248 HydrophobicContact CE1-CG 4.02Å; F244-M248 HydrophobicContact CE2-CG 3.53Å; F244-M248 HydrophobicContact CE2-SD 3.8Å; F244-M248 HydrophobicContact CG-CG 4.36Å; F244-M248 HydrophobicContact CZ-CE 4.43Å; F244-M248 HydrophobicContact CZ-CG 3.57Å; F244-M248 HydrophobicContact CZ-SD 4.06Å; F244-M248 WeakPolarHBondContact O-CB 3.46Å; F244-M248 VanDerWaalsContact O-CG 3.26Å; F244-M248 WeakPolarHBondContact O-CG 3.33Å; F244-M248 PolarHBondContact O-N 3.01Å; E245-M248 PolarHBondContact O-N 3.25Å; I246-M248 VanDerWaalsContact C-N 3.34Å; I246-M248 PolarHBondContact O-N 2.85Å; M248-F250 PolarHBondContact O-N 3.28Å; M248-T251 PolarHBondContact O-N 2.96Å; M248-T251 PolarHBondContact O-OG1 3.43Å; M248-F252 HydrophobicContact CE-CD2 4.07Å; M248-F252 HydrophobicContact CE-CE2 3.49Å; M248-F252 VanDerWaalsContact CE-CE2 3.49Å; M248-F252 HydrophobicContact CE-CZ 4.4Å; M248-F252 WeakPolarHBondContact O-CD2 3.38Å; M248-F252 PolarHBondContact O-N 3.37Å; M248-F252 VanDerWaalsContact O-N 3.13Å; M248-F252 HydrophobicContact SD-CD2 4.47Å; M248-F252 HydrophobicContact SD-CE2 3.85Å |
| 249 | R | 91.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 178.3 | -69 | 171.9 | -179.6 | 144.1 | 19.8 | 112.4 | F157 E245 I246 C253 F259 D268 K310 | F157-R249 HydrophobicContact CB-CG 3.84Å; F157-R249 PolarHBondContact O-NE 3.28Å; F157-R249 PolarHBondContact O-NH2 3.29Å; E245-R249 WeakPolarHBondContact O-CB 3.36Å; E245-R249 VanDerWaalsContact O-CG 3.26Å; E245-R249 WeakPolarHBondContact O-CG 3.49Å; E245-R249 PolarHBondContact O-N 2.89Å; E245-R249 IonicContact OE2-CZ 2.97Å; E245-R249 IonicContact OE2-NH1 3.82Å; E245-R249 PolarHBondContact OE2-NH1 3.26Å; E245-R249 IonicContact OE2-NH2 3.16Å; E245-R249 PolarHBondContact OE2-NH2 3.48Å; I246-R249 PolarHBondContact O-N 3.34Å; R249-C253 VanDerWaalsContact O-CB 3.28Å; R249-C253 WeakPolarHBondContact O-CB 3.42Å; R249-C253 PolarHBondContact O-N 2.97Å; R249-F259 HydrophobicContact CB-CE2 3.7Å; R249-F259 HydrophobicContact CB-CZ 4.03Å; R249-D268 IonicContact CZ-OD2 3.56Å; R249-D268 IonicContact NH1-OD2 2.8Å; R249-D268 PolarHBondContact NH1-OD2 2.94Å; R249-K310 VanDerWaalsContact CD-NZ 3.27Å; R249-K310 VanDerWaalsContact CZ-NZ 3.25Å |
| 250 | F | 93.3 | Very high | 91 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 179.9 | 178.9 | -104.1 | 0 | 0 | 0 | 112.8 | I246 I247 M248 C253 K256 F259 F260 | I246-F250 VanDerWaalsContact O-CB 3.27Å; I246-F250 WeakPolarHBondContact O-CB 3.49Å; I246-F250 PolarHBondContact O-N 3.06Å; I247-F250 PolarHBondContact O-N 3.24Å; M248-F250 PolarHBondContact O-N 3.28Å; F250-C253 PolarHBondContact O-SG 2.97Å; F250-K256 HydrophobicContact CE2-CB 4.14Å; F250-K256 HydrophobicContact CE2-CD 4.43Å; F250-K256 HydrophobicContact CE2-CG 4.13Å; F250-K256 HydrophobicContact CZ-CD 4.06Å; F250-K256 HydrophobicContact CZ-CG 4.25Å; F250-F259 HydrophobicContact CB-CE1 4.22Å; F250-F259 HydrophobicContact CB-CZ 4.42Å; F250-F259 AromaticContact CD2-CD1 3.87Å; F250-F259 HydrophobicContact CD2-CD1 3.87Å; F250-F259 HydrophobicContact CD2-CE1 4.23Å; F250-F259 HydrophobicContact CD2-CG 4.44Å; F250-F260 HydrophobicContact CD2-CE2 4.48Å; F250-F260 AromaticContact CE2-CE2 3.78Å; F250-F260 HydrophobicContact CE2-CE2 3.78Å; F250-F260 HydrophobicContact CE2-CZ 4.06Å |
| 251 | T | 92.1 | Very high | 90.8 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.1 | -37 | -180 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | I247 M248 | I247-T251 HydrophobicContact CG2-CG2 4.25Å; I247-T251 WeakPolarHBondContact O-CB 3.42Å; I247-T251 VanDerWaalsContact O-CG2 3.24Å; I247-T251 WeakPolarHBondContact O-CG2 3.28Å; I247-T251 PolarHBondContact O-N 3.26Å; I247-T251 PolarHBondContact O-OG1 2.85Å; M248-T251 PolarHBondContact O-N 2.96Å; M248-T251 PolarHBondContact O-OG1 3.43Å |
| 252 | F | 92.5 | Very high | 90.4 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -96 | -1.7 | -177.1 | -62.6 | -76.1 | 0 | 0 | 0 | 114.4 | F132 K150 I153 W154 M248 | F132-F252 WeakPolarHBondContact CE1-O 3.45Å; F132-F252 WeakPolarHBondContact CZ-O 3.5Å; K150-F252 HydrophobicContact CB-CD1 4.16Å; K150-F252 WeakPolarHBondContact CE-O 3.28Å; K150-F252 HydrophobicContact CG-CB 4.32Å; K150-F252 HydrophobicContact CG-CD1 3.94Å; I153-F252 HydrophobicContact CB-CD1 4.08Å; I153-F252 HydrophobicContact CB-CD2 4.15Å; I153-F252 HydrophobicContact CB-CE1 4.29Å; I153-F252 HydrophobicContact CB-CE2 4.4Å; I153-F252 HydrophobicContact CB-CG 4.03Å; I153-F252 HydrophobicContact CB-CZ 4.46Å; I153-F252 HydrophobicContact CD1-CD1 4.43Å; I153-F252 HydrophobicContact CD1-CE1 3.8Å; I153-F252 HydrophobicContact CD1-CE2 4.32Å; I153-F252 HydrophobicContact CD1-CZ 3.75Å; I153-F252 HydrophobicContact CG2-CD1 4.23Å; I153-F252 HydrophobicContact CG2-CD2 3.4Å; I153-F252 VanDerWaalsContact CG2-CD2 3.4Å; I153-F252 HydrophobicContact CG2-CE1 4.36Å; I153-F252 HydrophobicContact CG2-CE2 3.61Å; I153-F252 HydrophobicContact CG2-CG 3.79Å; I153-F252 HydrophobicContact CG2-CZ 4.08Å; W154-F252 HydrophobicContact CB-CB 3.88Å; W154-F252 WeakPolarHBondContact CB-O 3.35Å; M248-F252 HydrophobicContact CE-CD2 4.07Å; M248-F252 HydrophobicContact CE-CE2 3.49Å; M248-F252 VanDerWaalsContact CE-CE2 3.49Å; M248-F252 HydrophobicContact CE-CZ 4.4Å; M248-F252 WeakPolarHBondContact O-CD2 3.38Å; M248-F252 PolarHBondContact O-N 3.37Å; M248-F252 VanDerWaalsContact O-N 3.13Å; M248-F252 HydrophobicContact SD-CD2 4.47Å; M248-F252 HydrophobicContact SD-CE2 3.85Å |
| 253 | C | 89.8 | Confident | 90.2 | Very high | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | trans | -62.5 | 152.9 | 179.2 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | K150 R249 F250 F259 | K150-C253 VanDerWaalsContact CE-O 3.3Å; K150-C253 WeakPolarHBondContact CE-O 3.24Å; K150-C253 PolarHBondContact NZ-O 3.21Å; R249-C253 VanDerWaalsContact O-CB 3.28Å; R249-C253 WeakPolarHBondContact O-CB 3.42Å; R249-C253 PolarHBondContact O-N 2.97Å; F250-C253 PolarHBondContact O-SG 2.97Å; C253-F259 HydrophobicContact CB-CD2 4.24Å | ||
| 254 | P | 85.9 | Confident | 89.9 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 29% | 0.286 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -68.4 | -45.3 | 175.3 | 25 | -32.3 | 0 | 0 | 0 | 111.8 | M131 F132 | M131-P254 WeakPolarHBondContact O-CB 3.4Å; F132-P254 HydrophobicContact CD1-CB 3.94Å; F132-P254 HydrophobicContact CD2-CB 4.33Å; F132-P254 HydrophobicContact CE1-CB 3.9Å; F132-P254 HydrophobicContact CE2-CB 4.32Å; F132-P254 HydrophobicContact CG-CB 4.16Å; F132-P254 HydrophobicContact CZ-CB 4.11Å |
| 255 | S | 88.4 | Confident | 89.7 | Confident | 55 Ų | 55 | 63 Ų | 63 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | trans | -138 | 121.6 | -178.7 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | L257 Y258 F259 | S255-L257 VanDerWaalsContact C-N 3.33Å; S255-L257 PolarHBondContact O-N 3.24Å; S255-Y258 PolarHBondContact O-N 3.03Å; S255-Y258 WeakPolarHBondContact OG-CB 3.44Å; S255-F259 PolarHBondContact O-N 3Å; S255-F259 VanDerWaalsContact O-N 3.11Å | ||
| 256 | K | 89.2 | Confident | 89.5 | Confident | 137 Ų | 137 | 67.2 Ų | 67.2 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.6 | -36.6 | -175.9 | -61.8 | 178.1 | -178.7 | 178.2 | 0 | 112.9 | F250 F259 F260 | F250-K256 HydrophobicContact CE2-CB 4.14Å; F250-K256 HydrophobicContact CE2-CD 4.43Å; F250-K256 HydrophobicContact CE2-CG 4.13Å; F250-K256 HydrophobicContact CZ-CD 4.06Å; F250-K256 HydrophobicContact CZ-CG 4.25Å; K256-F259 WeakPolarHBondContact O-CB 3.08Å; K256-F259 PolarHBondContact O-N 3.12Å; K256-F260 VanDerWaalsContact O-CD2 3.24Å; K256-F260 WeakPolarHBondContact O-CD2 3.42Å |
| 257 | L | 88.6 | Confident | 89.4 | Confident | 144 Ų | 144 | 68 Ų | 68 | 75% | 0.754 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.6 | -37.6 | 178.1 | -81.7 | 148.7 | 0 | 0 | 0 | 112.4 | S255 F259 K261 | S255-L257 VanDerWaalsContact C-N 3.33Å; S255-L257 PolarHBondContact O-N 3.24Å; L257-F259 VanDerWaalsContact C-N 3.34Å; L257-K261 PolarHBondContact O-N 3.47Å |
| 258 | Y | 85.2 | Confident | 89.2 | Confident | 155 Ų | 155 | 63.5 Ų | 63.5 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.9 | -35.7 | 176.6 | -173 | -98 | 0 | 0 | 0 | 111.2 | S255 F260 K261 D262 | S255-Y258 PolarHBondContact O-N 3.03Å; S255-Y258 WeakPolarHBondContact OG-CB 3.44Å; Y258-F260 VanDerWaalsContact C-N 3.28Å; Y258-F260 PolarHBondContact O-N 2.99Å; Y258-K261 PolarHBondContact O-N 3.35Å; Y258-D262 PolarHBondContact O-N 3.35Å; Y258-D262 VanDerWaalsContact O-N 3.11Å |
| 259 | F | 88.9 | Confident | 89.1 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 7% | 0.066 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.5 | -42.8 | 176.7 | -174.2 | -96.7 | 0 | 0 | 0 | 112.7 | R249 F250 C253 S255 K256 L257 N265 | R249-F259 HydrophobicContact CB-CE2 3.7Å; R249-F259 HydrophobicContact CB-CZ 4.03Å; F250-F259 HydrophobicContact CB-CE1 4.22Å; F250-F259 HydrophobicContact CB-CZ 4.42Å; F250-F259 AromaticContact CD2-CD1 3.87Å; F250-F259 HydrophobicContact CD2-CD1 3.87Å; F250-F259 HydrophobicContact CD2-CE1 4.23Å; F250-F259 HydrophobicContact CD2-CG 4.44Å; C253-F259 HydrophobicContact CB-CD2 4.24Å; S255-F259 PolarHBondContact O-N 3Å; S255-F259 VanDerWaalsContact O-N 3.11Å; K256-F259 WeakPolarHBondContact O-CB 3.08Å; K256-F259 PolarHBondContact O-N 3.12Å; L257-F259 VanDerWaalsContact C-N 3.34Å; F259-N265 HydrophobicContact CD1-CB 4.47Å; F259-N265 HydrophobicContact CD2-CB 4.41Å; F259-N265 VanDerWaalsContact CD2-ND2 3.34Å; F259-N265 WeakPolarHBondContact CD2-ND2 3.39Å; F259-N265 HydrophobicContact CE1-CB 4.09Å; F259-N265 HydrophobicContact CE2-CB 3.99Å; F259-N265 VanDerWaalsContact CE2-CG 3.41Å; F259-N265 VanDerWaalsContact CE2-ND2 3.33Å; F259-N265 WeakPolarHBondContact CE2-ND2 3.24Å; F259-N265 HydrophobicContact CZ-CB 3.83Å; F259-N265 WeakPolarHBondContact O-CB 3.27Å; F259-N265 PolarHBondContact O-ND2 3.43Å |
| 260 | F | 88.8 | Confident | 88.9 | Confident | 116 Ų | 116 | 68.9 Ų | 68.9 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -76.2 | -22.8 | 177.1 | -71.7 | -70.4 | 0 | 0 | 0 | 114.4 | F250 K256 Y258 D262 | F250-F260 HydrophobicContact CD2-CE2 4.48Å; F250-F260 AromaticContact CE2-CE2 3.78Å; F250-F260 HydrophobicContact CE2-CE2 3.78Å; F250-F260 HydrophobicContact CE2-CZ 4.06Å; K256-F260 VanDerWaalsContact O-CD2 3.24Å; K256-F260 WeakPolarHBondContact O-CD2 3.42Å; Y258-F260 VanDerWaalsContact C-N 3.28Å; Y258-F260 PolarHBondContact O-N 2.99Å; F260-D262 VanDerWaalsContact C-N 3.33Å |
| 261 | K | 87.4 | Confident | 88.7 | Confident | 166 Ų | 166 | 65.4 Ų | 65.4 | 72% | 0.722 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -78.3 | -20.4 | 175.6 | -74.4 | -177.3 | 176.7 | -175 | 0 | 112.6 | L257 Y258 T263 | L257-K261 PolarHBondContact O-N 3.47Å; Y258-K261 PolarHBondContact O-N 3.35Å; K261-T263 PolarHBondContact O-N 2.94Å |
| 262 | D | 86.7 | Confident | 88.5 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | trans | -71.3 | 120.5 | 177.2 | -178 | 19.4 | 0 | 0 | 0 | 111.2 | Y258 F260 L264 N265 L266 | Y258-D262 PolarHBondContact O-N 3.35Å; Y258-D262 VanDerWaalsContact O-N 3.11Å; F260-D262 VanDerWaalsContact C-N 3.33Å; D262-L264 VanDerWaalsContact C-N 3.25Å; D262-L264 PolarHBondContact O-N 3.49Å; D262-L264 PolarHBondContact OD1-N 2.99Å; D262-N265 HydrophobicContact CB-CB 4.38Å; D262-N265 WeakPolarHBondContact CB-ND2 3.45Å; D262-N265 PolarHBondContact O-N 2.78Å; D262-N265 PolarHBondContact OD2-ND2 3.1Å; D262-L266 PolarHBondContact O-N 2.96Å; D262-L266 VanDerWaalsContact O-N 3.08Å | ||
| 263 | T | 86.5 | Confident | 88.3 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -34.2 | -175.6 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | K261 L266 I267 | K261-T263 PolarHBondContact O-N 2.94Å; T263-L266 PolarHBondContact O-N 3.36Å; T263-I267 WeakPolarHBondContact O-CG1 3.47Å; T263-I267 PolarHBondContact O-N 3.26Å; T263-I267 VanDerWaalsContact O-N 3.13Å |
| 264 | L | 87.2 | Confident | 88.1 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71 | -40 | 179.9 | -63.6 | 177.4 | 0 | 0 | 0 | 112.1 | D262 L266 I267 D268 A309 K316 I319 | D262-L264 VanDerWaalsContact C-N 3.25Å; D262-L264 PolarHBondContact O-N 3.49Å; D262-L264 PolarHBondContact OD1-N 2.99Å; L264-L266 VanDerWaalsContact C-N 3.31Å; L264-I267 PolarHBondContact O-N 3.44Å; L264-D268 PolarHBondContact O-N 2.93Å; L264-D268 VanDerWaalsContact O-N 3.1Å; L264-A309 HydrophobicContact CD2-CB 3.86Å; L264-K316 HydrophobicContact CD1-CD 3.98Å; L264-K316 HydrophobicContact CD1-CG 4.05Å; L264-I319 HydrophobicContact CD2-CD1 4.13Å |
| 265 | N | 90.8 | Very high | 88 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.9 | -29.7 | 176.5 | -61.9 | -35.4 | 0 | 0 | 0 | 111.8 | F259 D262 D268 F269 K310 | F259-N265 HydrophobicContact CD1-CB 4.47Å; F259-N265 HydrophobicContact CD2-CB 4.41Å; F259-N265 VanDerWaalsContact CD2-ND2 3.34Å; F259-N265 WeakPolarHBondContact CD2-ND2 3.39Å; F259-N265 HydrophobicContact CE1-CB 4.09Å; F259-N265 HydrophobicContact CE2-CB 3.99Å; F259-N265 VanDerWaalsContact CE2-CG 3.41Å; F259-N265 VanDerWaalsContact CE2-ND2 3.33Å; F259-N265 WeakPolarHBondContact CE2-ND2 3.24Å; F259-N265 HydrophobicContact CZ-CB 3.83Å; F259-N265 WeakPolarHBondContact O-CB 3.27Å; F259-N265 PolarHBondContact O-ND2 3.43Å; D262-N265 HydrophobicContact CB-CB 4.38Å; D262-N265 WeakPolarHBondContact CB-ND2 3.45Å; D262-N265 PolarHBondContact O-N 2.78Å; D262-N265 PolarHBondContact OD2-ND2 3.1Å; N265-D268 PolarHBondContact O-N 3.06Å; N265-F269 PolarHBondContact O-N 3.33Å; N265-K310 PolarHBondContact OD1-NZ 3.36Å |
| 266 | L | 89 | Confident | 87.8 | Confident | 92 Ų | 92 | 65 Ų | 65 | 48% | 0.482 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 171.7 | -177.6 | 64.3 | 0 | 0 | 0 | 111.6 | D262 T263 L264 D268 F269 V270 | D262-L266 PolarHBondContact O-N 2.96Å; D262-L266 VanDerWaalsContact O-N 3.08Å; T263-L266 PolarHBondContact O-N 3.36Å; L264-L266 VanDerWaalsContact C-N 3.31Å; L266-D268 VanDerWaalsContact C-N 3.33Å; L266-D268 PolarHBondContact O-N 3.11Å; L266-F269 PolarHBondContact O-N 3.5Å; L266-V270 WeakPolarHBondContact O-CG2 3.4Å; L266-V270 PolarHBondContact O-N 2.93Å |
| 267 | I | 88.6 | Confident | 87.5 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 174 | -68.9 | 166.2 | 0 | 0 | 0 | 110.3 | T263 L264 F269 V270 A271 F306 | T263-I267 WeakPolarHBondContact O-CG1 3.47Å; T263-I267 PolarHBondContact O-N 3.26Å; T263-I267 VanDerWaalsContact O-N 3.13Å; L264-I267 PolarHBondContact O-N 3.44Å; I267-F269 VanDerWaalsContact C-N 3.32Å; I267-F269 PolarHBondContact O-N 2.9Å; I267-V270 PolarHBondContact O-N 3.34Å; I267-A271 WeakPolarHBondContact O-CB 3.35Å; I267-A271 PolarHBondContact O-N 3.15Å; I267-F306 HydrophobicContact CG2-CB 3.58Å |
| 268 | D | 89.9 | Confident | 87.1 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57 | -47.2 | 175.8 | -75.9 | -13 | 0 | 0 | 0 | 110.8 | I246 R249 L264 N265 L266 A271 T272 R307 | I246-D268 HydrophobicContact CD1-CB 3.9Å; I246-D268 WeakPolarHBondContact CD1-O 3.33Å; I246-D268 HydrophobicContact CG1-CB 4Å; R249-D268 IonicContact CZ-OD2 3.56Å; R249-D268 IonicContact NH1-OD2 2.8Å; R249-D268 PolarHBondContact NH1-OD2 2.94Å; L264-D268 PolarHBondContact O-N 2.93Å; L264-D268 VanDerWaalsContact O-N 3.1Å; N265-D268 PolarHBondContact O-N 3.06Å; L266-D268 VanDerWaalsContact C-N 3.33Å; L266-D268 PolarHBondContact O-N 3.11Å; D268-A271 PolarHBondContact O-N 3.45Å; D268-T272 PolarHBondContact O-N 3.06Å; D268-R307 PolarHBondContact O-NH2 3.29Å; D268-R307 WeakPolarHBondContact OD1-CG 3.37Å; D268-R307 IonicContact OD1-CZ 2.79Å; D268-R307 IonicContact OD1-NE 2.69Å |
| 269 | F | 90.4 | Very high | 86.9 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 43% | 0.43 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.4 | -50.9 | 179.8 | -175.6 | -99.1 | 0 | 0 | 0 | 112.4 | N265 L266 I267 A271 T272 L273 | N265-F269 PolarHBondContact O-N 3.33Å; L266-F269 PolarHBondContact O-N 3.5Å; I267-F269 VanDerWaalsContact C-N 3.32Å; I267-F269 PolarHBondContact O-N 2.9Å; F269-A271 VanDerWaalsContact C-N 3.3Å; F269-A271 PolarHBondContact O-N 2.97Å; F269-T272 PolarHBondContact O-N 2.68Å; F269-L273 HydrophobicContact CE1-CD2 4.05Å; F269-L273 WeakPolarHBondContact O-CB 3.5Å; F269-L273 PolarHBondContact O-N 3.47Å |
| 270 | V | 88.5 | Confident | 86.6 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 34% | 0.339 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 111 | L266 I267 L273 S274 M303 | L266-V270 WeakPolarHBondContact O-CG2 3.4Å; L266-V270 PolarHBondContact O-N 2.93Å; I267-V270 PolarHBondContact O-N 3.34Å; V270-L273 PolarHBondContact O-N 3.04Å; V270-S274 PolarHBondContact O-N 3.1Å; V270-M303 HydrophobicContact CG1-CB 4.46Å; V270-M303 HydrophobicContact CG1-CG 4.28Å |
| 271 | A | 87.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I267 D268 F269 S274 R304 R307 | I267-A271 WeakPolarHBondContact O-CB 3.35Å; I267-A271 PolarHBondContact O-N 3.15Å; D268-A271 PolarHBondContact O-N 3.45Å; F269-A271 VanDerWaalsContact C-N 3.3Å; F269-A271 PolarHBondContact O-N 2.97Å; A271-S274 WeakPolarHBondContact O-CB 3.36Å; A271-S274 PolarHBondContact O-N 2.96Å; A271-S274 PolarHBondContact O-OG 3.04Å; A271-R304 HydrophobicContact CB-CB 4.39Å; A271-R304 HydrophobicContact CB-CG 3.94Å; A271-R307 HydrophobicContact CB-CG 3.97Å; A271-R307 VanDerWaalsContact CB-NE 3.31Å |
| 272 | T | 89 | Confident | 85.7 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.3 | -74.8 | 0 | 0 | 0 | 0 | 110.9 | A243 I246 D268 F269 S274 F275 F276 R307 | A243-T272 HydrophobicContact CB-CG2 4.17Å; I246-T272 HydrophobicContact CD1-CG2 4.49Å; I246-T272 WeakPolarHBondContact CD1-OG1 3.34Å; D268-T272 PolarHBondContact O-N 3.06Å; F269-T272 PolarHBondContact O-N 2.68Å; T272-S274 PolarHBondContact O-N 3.25Å; T272-F275 PolarHBondContact O-N 3.42Å; T272-F276 HydrophobicContact CG2-CD2 3.99Å; T272-F276 HydrophobicContact CG2-CE2 3.56Å; T272-F276 WeakPolarHBondContact O-CD2 3.49Å; T272-R307 PolarHBondContact OG1-NH2 3.2Å |
| 273 | L | 88 | Confident | 85.4 | Confident | 75 Ų | 75 | 49.9 Ų | 49.9 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -33.5 | -179.7 | -177.8 | 61.5 | 0 | 0 | 0 | 112 | F269 V270 F275 F276 V277 | F269-L273 HydrophobicContact CE1-CD2 4.05Å; F269-L273 WeakPolarHBondContact O-CB 3.5Å; F269-L273 PolarHBondContact O-N 3.47Å; V270-L273 PolarHBondContact O-N 3.04Å; L273-F275 PolarHBondContact O-N 3.32Å; L273-F275 VanDerWaalsContact O-N 3.15Å; L273-F276 PolarHBondContact O-N 2.89Å; L273-F276 VanDerWaalsContact O-N 3.1Å; L273-V277 HydrophobicContact CD1-CG2 4.06Å; L273-V277 HydrophobicContact CG-CG2 3.96Å; L273-V277 WeakPolarHBondContact O-CG2 3.44Å; L273-V277 PolarHBondContact O-N 3.4Å |
| 274 | S | 85 | Confident | 85.1 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.8 | -37.8 | 177.9 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | V270 A271 T272 E278 R304 | V270-S274 PolarHBondContact O-N 3.1Å; A271-S274 WeakPolarHBondContact O-CB 3.36Å; A271-S274 PolarHBondContact O-N 2.96Å; A271-S274 PolarHBondContact O-OG 3.04Å; T272-S274 PolarHBondContact O-N 3.25Å; S274-E278 PolarHBondContact O-N 3.12Å; S274-R304 PolarHBondContact OG-NE 3.16Å; S274-R304 PolarHBondContact OG-NH2 3.15Å |
| 275 | F | 83.6 | Confident | 84.4 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.8 | -44.2 | 178.8 | 178.1 | -103.1 | 0 | 0 | 0 | 112.4 | L236 N239 T272 L273 V277 E278 M279 | L236-F275 HydrophobicContact CB-CE2 4.35Å; L236-F275 HydrophobicContact CB-CZ 3.8Å; L236-F275 HydrophobicContact CD1-CE1 3.49Å; L236-F275 VanDerWaalsContact CD1-CE1 3.49Å; L236-F275 HydrophobicContact CD1-CZ 3.48Å; L236-F275 VanDerWaalsContact CD1-CZ 3.48Å; L236-F275 HydrophobicContact CG-CZ 4.23Å; N239-F275 HydrophobicContact CB-CB 4Å; N239-F275 HydrophobicContact CB-CD1 3.84Å; N239-F275 HydrophobicContact CB-CD2 4.28Å; N239-F275 HydrophobicContact CB-CE1 4.43Å; N239-F275 HydrophobicContact CB-CG 3.76Å; N239-F275 VanDerWaalsContact CG-CG 3.5Å; N239-F275 WeakPolarHBondContact ND2-CB 3.42Å; N239-F275 WeakPolarHBondContact ND2-CD2 3.34Å; N239-F275 VanDerWaalsContact ND2-CG 3.27Å; N239-F275 WeakPolarHBondContact ND2-CG 3.36Å; T272-F275 PolarHBondContact O-N 3.42Å; L273-F275 PolarHBondContact O-N 3.32Å; L273-F275 VanDerWaalsContact O-N 3.15Å; F275-V277 VanDerWaalsContact C-N 3.35Å; F275-E278 WeakPolarHBondContact O-CB 3.34Å; F275-E278 PolarHBondContact O-N 3.21Å; F275-M279 HydrophobicContact CE1-CE 4.46Å; F275-M279 HydrophobicContact CZ-CE 3.85Å; F275-M279 PolarHBondContact O-N 3.28Å |
| 276 | F | 84.5 | Confident | 83.4 | Confident | 99 Ų | 99 | 59 Ų | 59 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | -179.1 | -69.8 | -74.2 | 0 | 0 | 0 | 111.1 | T272 L273 E278 M279 T280 | T272-F276 HydrophobicContact CG2-CD2 3.99Å; T272-F276 HydrophobicContact CG2-CE2 3.56Å; T272-F276 WeakPolarHBondContact O-CD2 3.49Å; L273-F276 PolarHBondContact O-N 2.89Å; L273-F276 VanDerWaalsContact O-N 3.1Å; F276-E278 VanDerWaalsContact C-N 3.31Å; F276-E278 PolarHBondContact O-N 3.09Å; F276-M279 PolarHBondContact O-N 3.43Å; F276-T280 WeakPolarHBondContact O-CB 3.49Å; F276-T280 PolarHBondContact O-N 3.15Å; F276-T280 PolarHBondContact O-OG1 2.98Å |
| 277 | V | 83.7 | Confident | 82 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.7 | -46.6 | 173.5 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L273 F275 M279 T280 I281 | L273-V277 HydrophobicContact CD1-CG2 4.06Å; L273-V277 HydrophobicContact CG-CG2 3.96Å; L273-V277 WeakPolarHBondContact O-CG2 3.44Å; L273-V277 PolarHBondContact O-N 3.4Å; F275-V277 VanDerWaalsContact C-N 3.35Å; V277-M279 PolarHBondContact O-N 3.48Å; V277-T280 PolarHBondContact O-N 3.47Å; V277-I281 HydrophobicContact CG1-CD1 3.68Å; V277-I281 HydrophobicContact CG1-CG1 4.41Å; V277-I281 WeakPolarHBondContact O-CB 3.5Å; V277-I281 WeakPolarHBondContact O-CG1 3.25Å; V277-I281 PolarHBondContact O-N 3.24Å |
| 278 | E | 78.8 | Confident | 80.5 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 175.3 | 173.9 | -178.5 | -175.8 | 0 | 0 | 112.6 | S274 F275 F276 T280 I281 R282 R301 | S274-E278 PolarHBondContact O-N 3.12Å; F275-E278 WeakPolarHBondContact O-CB 3.34Å; F275-E278 PolarHBondContact O-N 3.21Å; F276-E278 VanDerWaalsContact C-N 3.31Å; F276-E278 PolarHBondContact O-N 3.09Å; E278-T280 VanDerWaalsContact C-N 3.34Å; E278-T280 PolarHBondContact O-N 2.95Å; E278-I281 PolarHBondContact O-N 3.28Å; E278-R282 HydrophobicContact CG-CG 4.33Å; E278-R282 WeakPolarHBondContact O-CB 3.44Å; E278-R282 VanDerWaalsContact O-CG 3.32Å; E278-R282 WeakPolarHBondContact O-CG 3.49Å; E278-R282 PolarHBondContact O-N 2.91Å; E278-R282 IonicContact OE1-CZ 3.96Å; E278-R282 IonicContact OE1-NE 2.9Å; E278-R282 PolarHBondContact OE1-NE 3.03Å; E278-R282 IonicContact OE1-NH2 3.29Å; E278-R282 PolarHBondContact OE1-NH2 2.79Å; E278-R301 IonicContact OE1-CZ 2.63Å; E278-R301 IonicContact OE1-NE 3.31Å; E278-R301 IonicContact OE1-NH2 3.86Å; E278-R301 PolarHBondContact OE1-NH2 3.43Å; E278-R301 IonicContact OE2-CZ 3.21Å; E278-R301 IonicContact OE2-NE 3.26Å; E278-R301 PolarHBondContact OE2-NE 2.88Å; E278-R301 IonicContact OE2-NH2 3.54Å; E278-R301 PolarHBondContact OE2-NH2 3.05Å |
| 279 | M | 82.4 | Confident | 78.8 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | -179 | -172.7 | 60.8 | 74.8 | 0 | 0 | 111.3 | F275 F276 V277 R282 F283 | F275-M279 HydrophobicContact CE1-CE 4.46Å; F275-M279 HydrophobicContact CZ-CE 3.85Å; F275-M279 PolarHBondContact O-N 3.28Å; F276-M279 PolarHBondContact O-N 3.43Å; V277-M279 PolarHBondContact O-N 3.48Å; M279-R282 PolarHBondContact O-N 3.23Å; M279-F283 WeakPolarHBondContact O-CB 3.43Å; M279-F283 PolarHBondContact O-N 3.25Å |
| 280 | T | 82.4 | Confident | 77.4 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.5 | -54 | 0 | 0 | 0 | 0 | 110.8 | F276 V277 E278 F283 L284 | F276-T280 WeakPolarHBondContact O-CB 3.49Å; F276-T280 PolarHBondContact O-N 3.15Å; F276-T280 PolarHBondContact O-OG1 2.98Å; V277-T280 PolarHBondContact O-N 3.47Å; E278-T280 VanDerWaalsContact C-N 3.34Å; E278-T280 PolarHBondContact O-N 2.95Å; T280-F283 PolarHBondContact O-N 3.01Å; T280-L284 HydrophobicContact CG2-CD1 3.64Å; T280-L284 HydrophobicContact CG2-CG 4.37Å; T280-L284 WeakPolarHBondContact O-CB 3.06Å; T280-L284 WeakPolarHBondContact O-CD1 3.37Å; T280-L284 VanDerWaalsContact O-CG 3.3Å; T280-L284 WeakPolarHBondContact O-CG 3.26Å; T280-L284 PolarHBondContact O-N 2.91Å |
| 281 | I | 79.7 | Confident | 76.2 | Confident | 27 Ų | 27 | 70.9 Ų | 70.9 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -49.9 | 175.5 | -68.3 | 167.3 | 0 | 0 | 0 | 110 | V277 E278 F283 L284 T285 V294 F297 | V277-I281 HydrophobicContact CG1-CD1 3.68Å; V277-I281 HydrophobicContact CG1-CG1 4.41Å; V277-I281 WeakPolarHBondContact O-CB 3.5Å; V277-I281 WeakPolarHBondContact O-CG1 3.25Å; V277-I281 PolarHBondContact O-N 3.24Å; E278-I281 PolarHBondContact O-N 3.28Å; I281-F283 PolarHBondContact O-N 2.88Å; I281-L284 PolarHBondContact O-N 3.46Å; I281-L284 VanDerWaalsContact O-N 3.17Å; I281-T285 WeakPolarHBondContact O-CB 3.35Å; I281-T285 PolarHBondContact O-N 3.35Å; I281-T285 PolarHBondContact O-OG1 2.99Å; I281-V294 HydrophobicContact CG2-CB 4.17Å; I281-V294 HydrophobicContact CG2-CG1 4.08Å; I281-V294 HydrophobicContact CG2-CG2 3.59Å; I281-F297 HydrophobicContact CD1-CB 3.92Å; I281-F297 HydrophobicContact CD1-CD2 3.66Å; I281-F297 HydrophobicContact CD1-CE2 4.42Å; I281-F297 HydrophobicContact CD1-CG 3.9Å |
| 282 | R | 76.7 | Confident | 75.2 | Confident | 77 Ų | 77 | 76.2 Ų | 76.2 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56 | -37.6 | 176.9 | -73.7 | 177.8 | -179 | -134 | 1.9 | 112.5 | E278 M279 R286 V294 | E278-R282 HydrophobicContact CG-CG 4.33Å; E278-R282 WeakPolarHBondContact O-CB 3.44Å; E278-R282 VanDerWaalsContact O-CG 3.32Å; E278-R282 WeakPolarHBondContact O-CG 3.49Å; E278-R282 PolarHBondContact O-N 2.91Å; E278-R282 IonicContact OE1-CZ 3.96Å; E278-R282 IonicContact OE1-NE 2.9Å; E278-R282 PolarHBondContact OE1-NE 3.03Å; E278-R282 IonicContact OE1-NH2 3.29Å; E278-R282 PolarHBondContact OE1-NH2 2.79Å; M279-R282 PolarHBondContact O-N 3.23Å; R282-R286 PolarHBondContact O-N 3.47Å; R282-V294 HydrophobicContact CG-CG1 4.25Å |
| 283 | F | 80.8 | Confident | 74.3 | Confident | 154 Ų | 154 | 78.4 Ų | 78.4 | 68% | 0.675 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -70.2 | -46 | 176.8 | 179.2 | -96 | 0 | 0 | 0 | 112.5 | M279 T280 I281 R286 | M279-F283 WeakPolarHBondContact O-CB 3.43Å; M279-F283 PolarHBondContact O-N 3.25Å; T280-F283 PolarHBondContact O-N 3.01Å; I281-F283 PolarHBondContact O-N 2.88Å; F283-R286 VanDerWaalsContact O-CB 3.26Å; F283-R286 WeakPolarHBondContact O-CB 3.43Å; F283-R286 PolarHBondContact O-N 3.26Å |
| 284 | L | 79.6 | Confident | 73.5 | Confident | 114 Ų | 114 | 76 Ų | 76 | 60% | 0.597 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.6 | -47.3 | 178.3 | -73.4 | 159.2 | 0 | 0 | 0 | 111.2 | T280 I281 R286 | T280-L284 HydrophobicContact CG2-CD1 3.64Å; T280-L284 HydrophobicContact CG2-CG 4.37Å; T280-L284 WeakPolarHBondContact O-CB 3.06Å; T280-L284 WeakPolarHBondContact O-CD1 3.37Å; T280-L284 VanDerWaalsContact O-CG 3.3Å; T280-L284 WeakPolarHBondContact O-CG 3.26Å; T280-L284 PolarHBondContact O-N 2.91Å; I281-L284 PolarHBondContact O-N 3.46Å; I281-L284 VanDerWaalsContact O-N 3.17Å; L284-R286 PolarHBondContact O-N 2.99Å; L284-R286 VanDerWaalsContact O-N 3.1Å |
| 285 | T | 73.8 | Confident | 72.8 | Confident | 12 Ų | 12 | 81.3 Ų | 81.3 | 7% | 0.074 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -73.1 | 4.2 | 179.7 | -51.2 | 0 | 0 | 0 | 0 | 113 | I281 H287 G288 E289 V294 | I281-T285 WeakPolarHBondContact O-CB 3.35Å; I281-T285 PolarHBondContact O-N 3.35Å; I281-T285 PolarHBondContact O-OG1 2.99Å; T285-H287 PolarHBondContact O-N 2.8Å; T285-G288 PolarHBondContact O-N 3.07Å; T285-E289 HydrophobicContact CG2-CB 3.63Å; T285-E289 WeakPolarHBondContact CG2-O 3.28Å; T285-V294 HydrophobicContact CG2-CG2 4.35Å |
| 286 | R | 68.6 | Low | 72.4 | Confident | 166 Ų | 166 | 88 Ų | 88 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -55.1 | -18.9 | 172.2 | -157.7 | 177.5 | 92.7 | 93.5 | 2.7 | 112.7 | R282 F283 L284 | R282-R286 PolarHBondContact O-N 3.47Å; F283-R286 VanDerWaalsContact O-CB 3.26Å; F283-R286 WeakPolarHBondContact O-CB 3.43Å; F283-R286 PolarHBondContact O-N 3.26Å; L284-R286 PolarHBondContact O-N 2.99Å; L284-R286 VanDerWaalsContact O-N 3.1Å |
| 287 | H | 60.1 | Low | 72 | Confident | 156 Ų | 156 | 87.7 Ų | 87.7 | 72% | 0.722 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -111.9 | 19.5 | -178 | -58 | 90.8 | 0 | 0 | 0 | 115.7 | T285 | T285-H287 PolarHBondContact O-N 2.8Š|
| 288 | G | 56.6 | Low | 71.4 | Confident | 66 Ų | 66 | 85.7 Ų | 85.7 | 68% | 0.68 | 43% | 0.428 | S | S | * | . | trans | 113.7 | 29.1 | 159 | 0 | 0 | 0 | 0 | 0 | 119.1 | T285 | T285-G288 PolarHBondContact O-N 3.07Š| ||
| 289 | E | 54.3 | Low | 71.5 | Confident | 135 Ų | 135 | 90.1 Ų | 90.1 | 63% | 0.631 | 45% | 0.451 | S | S | * | . | trans | -80.9 | 157.5 | 163.9 | -71.4 | -174.4 | 158.3 | 0 | 0 | 112.9 | T285 Y291 | T285-E289 HydrophobicContact CG2-CB 3.63Å; T285-E289 WeakPolarHBondContact CG2-O 3.28Å; E289-Y291 PolarHBondContact O-N 2.8Å | ||
| 290 | S | 61.9 | Low | 71.5 | Confident | 78 Ų | 78 | 89.7 Ų | 89.7 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | trans | -57.6 | 124.1 | -174.9 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | D292 T293 | S290-D292 PolarHBondContact O-N 3.25Å; S290-T293 PolarHBondContact O-N 2.99Å; S290-T293 VanDerWaalsContact O-N 3.1Å; S290-T293 PolarHBondContact O-OG1 3.44Å | ||
| 291 | Y | 62.7 | Low | 71.3 | Confident | 103 Ų | 103 | 87.5 Ų | 87.5 | 40% | 0.404 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -45.5 | -35.3 | 171.7 | 175.3 | -95 | 0 | 0 | 0 | 113.5 | T225 E289 T293 V294 Q295 | T225-Y291 WeakPolarHBondContact O-CE2 3.28Å; T225-Y291 WeakPolarHBondContact OG1-CE2 3.16Å; T225-Y291 PolarHBondContact OG1-OH 3.44Å; E289-Y291 PolarHBondContact O-N 2.8Å; Y291-T293 VanDerWaalsContact C-N 3.33Å; Y291-T293 PolarHBondContact O-N 3.45Å; Y291-V294 PolarHBondContact O-N 3.33Å; Y291-Q295 PolarHBondContact O-N 3.31Å; Y291-Q295 VanDerWaalsContact O-N 3.15Å |
| 292 | D | 67.5 | Low | 71.5 | Confident | 111 Ų | 111 | 89.8 Ų | 89.8 | 59% | 0.594 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.1 | -34 | -177.8 | -59.4 | -14.1 | 0 | 0 | 0 | 113.6 | S290 Q295 F296 | S290-D292 PolarHBondContact O-N 3.25Å; D292-Q295 PolarHBondContact O-N 2.8Å; D292-F296 WeakPolarHBondContact O-CB 3.45Å; D292-F296 PolarHBondContact O-N 2.92Å |
| 293 | T | 69.3 | Low | 71.9 | Confident | 60 Ų | 60 | 89.3 Ų | 89.3 | 37% | 0.368 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.4 | -40.4 | 179 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | S290 Y291 Q295 F296 F297 | S290-T293 PolarHBondContact O-N 2.99Å; S290-T293 VanDerWaalsContact O-N 3.1Å; S290-T293 PolarHBondContact O-OG1 3.44Å; Y291-T293 VanDerWaalsContact C-N 3.33Å; Y291-T293 PolarHBondContact O-N 3.45Å; T293-Q295 VanDerWaalsContact C-N 3.3Å; T293-Q295 PolarHBondContact O-N 2.91Å; T293-F296 PolarHBondContact O-N 3.39Å; T293-F297 WeakPolarHBondContact O-CD2 3.21Å; T293-F297 PolarHBondContact O-N 2.96Å; T293-F297 VanDerWaalsContact O-N 3.12Å |
| 294 | V | 71.3 | Confident | 72.1 | Confident | 23 Ų | 23 | 82.3 Ų | 82.3 | 14% | 0.139 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 175.8 | -166.6 | 0 | 0 | 0 | 0 | 110.6 | I281 R282 T285 Y291 G298 | I281-V294 HydrophobicContact CG2-CB 4.17Å; I281-V294 HydrophobicContact CG2-CG1 4.08Å; I281-V294 HydrophobicContact CG2-CG2 3.59Å; R282-V294 HydrophobicContact CG-CG1 4.25Å; T285-V294 HydrophobicContact CG2-CG2 4.35Å; Y291-V294 PolarHBondContact O-N 3.33Å; V294-G298 PolarHBondContact O-N 3.49Å; V294-G298 VanDerWaalsContact O-N 3.12Å |
| 295 | Q | 70.7 | Confident | 72.4 | Confident | 118 Ų | 118 | 80.8 Ų | 80.8 | 55% | 0.551 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.2 | -42.3 | 178.2 | -167.1 | 176.2 | 20.2 | 0 | 0 | 111.8 | Y291 D292 T293 G298 | Y291-Q295 PolarHBondContact O-N 3.31Å; Y291-Q295 VanDerWaalsContact O-N 3.15Å; D292-Q295 PolarHBondContact O-N 2.8Å; T293-Q295 VanDerWaalsContact C-N 3.3Å; T293-Q295 PolarHBondContact O-N 2.91Å; Q295-G298 WeakPolarHBondContact O-CA 3.3Å; Q295-G298 PolarHBondContact O-N 3.31Å |
| 296 | F | 74.9 | Confident | 73 | Confident | 145 Ų | 145 | 85.3 Ų | 85.3 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.3 | -49.1 | 177.7 | -177.6 | -97.5 | 0 | 0 | 0 | 112.2 | D292 T293 G298 I299 | D292-F296 WeakPolarHBondContact O-CB 3.45Å; D292-F296 PolarHBondContact O-N 2.92Å; T293-F296 PolarHBondContact O-N 3.39Å; F296-G298 PolarHBondContact O-N 2.86Å; F296-I299 HydrophobicContact CD2-CD1 4.45Å; F296-I299 WeakPolarHBondContact O-CB 3.34Å; F296-I299 WeakPolarHBondContact O-CG1 3.49Å; F296-I299 PolarHBondContact O-N 3.17Å |
| 297 | F | 76 | Confident | 73.9 | Confident | 94 Ų | 94 | 77.6 Ų | 77.6 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -22.2 | 175.4 | -73.6 | -67.4 | 0 | 0 | 0 | 113 | I281 T293 I299 I300 | I281-F297 HydrophobicContact CD1-CB 3.92Å; I281-F297 HydrophobicContact CD1-CD2 3.66Å; I281-F297 HydrophobicContact CD1-CE2 4.42Å; I281-F297 HydrophobicContact CD1-CG 3.9Å; T293-F297 WeakPolarHBondContact O-CD2 3.21Å; T293-F297 PolarHBondContact O-N 2.96Å; T293-F297 VanDerWaalsContact O-N 3.12Å; F297-I299 PolarHBondContact O-N 2.87Å; F297-I300 HydrophobicContact CD1-CD1 4.01Å; F297-I300 WeakPolarHBondContact O-CB 3.11Å; F297-I300 WeakPolarHBondContact O-CG1 3.45Å; F297-I300 PolarHBondContact O-N 3.49Å |
| 298 | G | 72.3 | Confident | 75.1 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -60.3 | -20.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V294 Q295 F296 I300 R301 | V294-G298 PolarHBondContact O-N 3.49Å; V294-G298 VanDerWaalsContact O-N 3.12Å; Q295-G298 WeakPolarHBondContact O-CA 3.3Å; Q295-G298 PolarHBondContact O-N 3.31Å; F296-G298 PolarHBondContact O-N 2.86Å; G298-I300 PolarHBondContact O-N 2.91Å; G298-R301 VanDerWaalsContact O-CB 3.24Å; G298-R301 WeakPolarHBondContact O-CB 3.36Å; G298-R301 WeakPolarHBondContact O-CD 3.17Å; G298-R301 WeakPolarHBondContact O-CG 3.44Å; G298-R301 PolarHBondContact O-N 3.28Å |
| 299 | I | 79.7 | Confident | 76.5 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -65 | -29.7 | 176.7 | -63.3 | 167.9 | 0 | 0 | 0 | 111.3 | F296 F297 R301 I302 | F296-I299 HydrophobicContact CD2-CD1 4.45Å; F296-I299 WeakPolarHBondContact O-CB 3.34Å; F296-I299 WeakPolarHBondContact O-CG1 3.49Å; F296-I299 PolarHBondContact O-N 3.17Å; F297-I299 PolarHBondContact O-N 2.87Å; I299-R301 PolarHBondContact O-N 3.16Å; I299-I302 WeakPolarHBondContact O-CG2 3.09Å; I299-I302 PolarHBondContact O-N 3.43Å |
| 300 | I | 82.4 | Confident | 77.9 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 32% | 0.323 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -56.9 | -23.9 | 177.7 | -57.4 | 174.2 | 0 | 0 | 0 | 111.1 | F297 G298 I302 M303 | F297-I300 HydrophobicContact CD1-CD1 4.01Å; F297-I300 WeakPolarHBondContact O-CB 3.11Å; F297-I300 WeakPolarHBondContact O-CG1 3.45Å; F297-I300 PolarHBondContact O-N 3.49Å; G298-I300 PolarHBondContact O-N 2.91Å; I300-I302 PolarHBondContact O-N 3.3Å; I300-I302 VanDerWaalsContact O-N 3.14Å; I300-M303 HydrophobicContact CG2-CG 4.27Å; I300-M303 WeakPolarHBondContact O-CB 3.39Å; I300-M303 VanDerWaalsContact O-CG 3.25Å; I300-M303 WeakPolarHBondContact O-CG 3.28Å; I300-M303 PolarHBondContact O-N 3.08Å |
| 301 | R | 78.5 | Confident | 79 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -57 | -27.5 | 174.9 | -62.2 | 178.1 | -161.1 | 135.3 | 15.1 | 113.4 | F184 E278 G298 I299 M303 R304 | F184-R301 HydrophobicContact CD2-CB 3.72Å; F184-R301 HydrophobicContact CE2-CB 4Å; E278-R301 IonicContact OE1-CZ 2.63Å; E278-R301 IonicContact OE1-NE 3.31Å; E278-R301 IonicContact OE1-NH2 3.86Å; E278-R301 PolarHBondContact OE1-NH2 3.43Å; E278-R301 IonicContact OE2-CZ 3.21Å; E278-R301 IonicContact OE2-NE 3.26Å; E278-R301 PolarHBondContact OE2-NE 2.88Å; E278-R301 IonicContact OE2-NH2 3.54Å; E278-R301 PolarHBondContact OE2-NH2 3.05Å; G298-R301 VanDerWaalsContact O-CB 3.24Å; G298-R301 WeakPolarHBondContact O-CB 3.36Å; G298-R301 WeakPolarHBondContact O-CD 3.17Å; G298-R301 WeakPolarHBondContact O-CG 3.44Å; G298-R301 PolarHBondContact O-N 3.28Å; I299-R301 PolarHBondContact O-N 3.16Å; R301-M303 PolarHBondContact O-N 2.96Å; R301-M303 VanDerWaalsContact O-N 3.17Å; R301-R304 VanDerWaalsContact O-CB 3.28Å; R301-R304 WeakPolarHBondContact O-CB 3.49Å; R301-R304 WeakPolarHBondContact O-CD 3.31Å; R301-R304 WeakPolarHBondContact O-CG 3.33Å; R301-R304 PolarHBondContact O-N 3.03Å |
| 302 | I | 84.5 | Confident | 80 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 39% | 0.39 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -61.6 | -24.5 | 176.5 | -158.5 | 170.3 | 0 | 0 | 0 | 111.9 | F184 I299 I300 R304 L305 | F184-I302 HydrophobicContact CZ-CB 4.34Å; I299-I302 WeakPolarHBondContact O-CG2 3.09Å; I299-I302 PolarHBondContact O-N 3.43Å; I300-I302 PolarHBondContact O-N 3.3Å; I300-I302 VanDerWaalsContact O-N 3.14Å; I302-R304 PolarHBondContact O-N 3.21Å; I302-L305 WeakPolarHBondContact O-CB 3.43Å; I302-L305 PolarHBondContact O-N 3.41Å |
| 303 | M | 84.1 | Confident | 80.5 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -58.5 | -22.9 | 175.7 | -63.7 | -62.9 | 108.3 | 0 | 0 | 112.9 | V270 I300 R301 L305 F306 | V270-M303 HydrophobicContact CG1-CB 4.46Å; V270-M303 HydrophobicContact CG1-CG 4.28Å; I300-M303 HydrophobicContact CG2-CG 4.27Å; I300-M303 WeakPolarHBondContact O-CB 3.39Å; I300-M303 VanDerWaalsContact O-CG 3.25Å; I300-M303 WeakPolarHBondContact O-CG 3.28Å; I300-M303 PolarHBondContact O-N 3.08Å; R301-M303 PolarHBondContact O-N 2.96Å; R301-M303 VanDerWaalsContact O-N 3.17Å; M303-L305 PolarHBondContact O-N 3.47Å; M303-F306 HydrophobicContact CE-CD2 4.19Å; M303-F306 HydrophobicContact CE-CE2 3.62Å; M303-F306 WeakPolarHBondContact O-CB 3.25Å; M303-F306 PolarHBondContact O-N 2.99Å; M303-F306 VanDerWaalsContact O-N 3.12Å; M303-F306 HydrophobicContact SD-CD2 3.89Å; M303-F306 HydrophobicContact SD-CE2 3.84Å |
| 304 | R | 84.4 | Confident | 81.2 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -62.8 | -28 | 176.6 | -60.4 | 172.9 | -172.1 | -171.7 | 8.8 | 112.7 | S180 D235 N239 A271 S274 R301 I302 F306 R307 | S180-R304 PolarHBondContact OG-NH1 2.77Å; D235-R304 IonicContact OD1-CZ 3.56Å; D235-R304 IonicContact OD1-NH1 3.2Å; D235-R304 PolarHBondContact OD1-NH1 3.13Å; D235-R304 IonicContact OD1-NH2 2.75Å; D235-R304 IonicContact OD2-NH1 3.69Å; N239-R304 PolarHBondContact ND2-NH1 3.03Å; N239-R304 PolarHBondContact ND2-NH2 2.71Å; A271-R304 HydrophobicContact CB-CB 4.39Å; A271-R304 HydrophobicContact CB-CG 3.94Å; S274-R304 PolarHBondContact OG-NE 3.16Å; S274-R304 PolarHBondContact OG-NH2 3.15Å; R301-R304 VanDerWaalsContact O-CB 3.28Å; R301-R304 WeakPolarHBondContact O-CB 3.49Å; R301-R304 WeakPolarHBondContact O-CD 3.31Å; R301-R304 WeakPolarHBondContact O-CG 3.33Å; R301-R304 PolarHBondContact O-N 3.03Å; I302-R304 PolarHBondContact O-N 3.21Å; R304-F306 PolarHBondContact O-N 2.96Å; R304-R307 VanDerWaalsContact O-CB 3.28Å; R304-R307 WeakPolarHBondContact O-CB 3.45Å; R304-R307 WeakPolarHBondContact O-CG 3.24Å; R304-R307 PolarHBondContact O-N 3.25Å |
| 305 | L | 86.9 | Confident | 81.9 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -62.2 | -33.6 | 175.6 | -175.4 | 62.6 | 0 | 0 | 0 | 111.5 | T181 I302 M303 R307 L308 | T181-L305 HydrophobicContact CG2-CD1 4.42Å; I302-L305 WeakPolarHBondContact O-CB 3.43Å; I302-L305 PolarHBondContact O-N 3.41Å; M303-L305 PolarHBondContact O-N 3.47Å; L305-R307 PolarHBondContact O-N 2.92Å; L305-L308 VanDerWaalsContact O-CB 3.28Å; L305-L308 WeakPolarHBondContact O-CB 3.46Å; L305-L308 PolarHBondContact O-N 3.03Å; L305-L308 VanDerWaalsContact O-N 3.13Å |
| 306 | F | 86.9 | Confident | 82.6 | Confident | 106 Ų | 106 | 53.2 Ų | 53.2 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -67.7 | -15.1 | 179.1 | -65.7 | -62.7 | 0 | 0 | 0 | 113.7 | I267 M303 R304 L308 A309 | I267-F306 HydrophobicContact CG2-CB 3.58Å; M303-F306 HydrophobicContact CE-CD2 4.19Å; M303-F306 HydrophobicContact CE-CE2 3.62Å; M303-F306 WeakPolarHBondContact O-CB 3.25Å; M303-F306 PolarHBondContact O-N 2.99Å; M303-F306 VanDerWaalsContact O-N 3.12Å; M303-F306 HydrophobicContact SD-CD2 3.89Å; M303-F306 HydrophobicContact SD-CE2 3.84Å; R304-F306 PolarHBondContact O-N 2.96Å; F306-L308 PolarHBondContact O-N 3.5Å; F306-L308 VanDerWaalsContact O-N 3.16Å; F306-A309 WeakPolarHBondContact O-CB 3.39Å; F306-A309 PolarHBondContact O-N 2.97Å |
| 307 | R | 86.2 | Confident | 83 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -59.6 | -24.7 | 171.3 | -65 | -173 | 154.7 | -137.4 | -3.1 | 113 | I177 D268 A271 T272 R304 L305 A309 K310 | I177-R307 HydrophobicContact CD1-CB 3.77Å; I177-R307 HydrophobicContact CG1-CB 4.21Å; D268-R307 PolarHBondContact O-NH2 3.29Å; D268-R307 WeakPolarHBondContact OD1-CG 3.37Å; D268-R307 IonicContact OD1-CZ 2.79Å; D268-R307 IonicContact OD1-NE 2.69Å; A271-R307 HydrophobicContact CB-CG 3.97Å; A271-R307 VanDerWaalsContact CB-NE 3.31Å; T272-R307 PolarHBondContact OG1-NH2 3.2Å; R304-R307 VanDerWaalsContact O-CB 3.28Å; R304-R307 WeakPolarHBondContact O-CB 3.45Å; R304-R307 WeakPolarHBondContact O-CG 3.24Å; R304-R307 PolarHBondContact O-N 3.25Å; L305-R307 PolarHBondContact O-N 2.92Å; R307-A309 PolarHBondContact O-N 3.41Å; R307-A309 VanDerWaalsContact O-N 3.08Å; R307-K310 PolarHBondContact O-N 3.31Å |
| 308 | L | 86.5 | Confident | 83.5 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.1 | -24.5 | 173.5 | -169.4 | 64.8 | 0 | 0 | 0 | 112 | I174 L305 F306 K310 H311 S312 | I174-L308 HydrophobicContact CG1-CD1 4.48Å; L305-L308 VanDerWaalsContact O-CB 3.28Å; L305-L308 WeakPolarHBondContact O-CB 3.46Å; L305-L308 PolarHBondContact O-N 3.03Å; L305-L308 VanDerWaalsContact O-N 3.13Å; F306-L308 PolarHBondContact O-N 3.5Å; F306-L308 VanDerWaalsContact O-N 3.16Å; L308-K310 PolarHBondContact O-N 2.9Å; L308-H311 PolarHBondContact O-N 3.5Å; L308-S312 PolarHBondContact O-N 2.97Å |
| 309 | A | 85.5 | Confident | 84.2 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.6 | -31.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L264 F306 R307 H311 S312 L315 K316 I319 | L264-A309 HydrophobicContact CD2-CB 3.86Å; F306-A309 WeakPolarHBondContact O-CB 3.39Å; F306-A309 PolarHBondContact O-N 2.97Å; R307-A309 PolarHBondContact O-N 3.41Å; R307-A309 VanDerWaalsContact O-N 3.08Å; A309-H311 VanDerWaalsContact C-N 3.31Å; A309-H311 PolarHBondContact O-N 3.17Å; A309-S312 VanDerWaalsContact O-O 3.14Å; A309-L315 VanDerWaalsContact CA-CD2 3.46Å; A309-L315 HydrophobicContact CB-CB 4.39Å; A309-L315 HydrophobicContact CB-CD2 3.61Å; A309-L315 HydrophobicContact CB-CG 3.69Å; A309-K316 WeakPolarHBondContact O-CE 3.2Å; A309-K316 VanDerWaalsContact O-CG 3.24Å; A309-K316 WeakPolarHBondContact O-CG 3.37Å; A309-I319 HydrophobicContact CB-CD1 3.75Å |
| 310 | K | 83.7 | Confident | 84.5 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.03 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.5 | -32.7 | 177.5 | -171.1 | 168.3 | -173.1 | 140.3 | 0 | 112.7 | D158 R249 N265 R307 L308 K316 | D158-K310 WeakPolarHBondContact OD1-CE 3.33Å; D158-K310 IonicContact OD1-NZ 3.08Å; D158-K310 PolarHBondContact OD1-NZ 3.43Å; R249-K310 VanDerWaalsContact CD-NZ 3.27Å; R249-K310 VanDerWaalsContact CZ-NZ 3.25Å; N265-K310 PolarHBondContact OD1-NZ 3.36Å; R307-K310 PolarHBondContact O-N 3.31Å; L308-K310 PolarHBondContact O-N 2.9Å; K310-K316 WeakPolarHBondContact O-CE 3.44Å; K310-K316 PolarHBondContact O-NZ 2.92Å; K310-K316 VanDerWaalsContact O-NZ 3.12Å |
| 311 | H | 85.1 | Confident | 84.6 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -90.6 | -20.7 | -176 | -60.3 | -74.1 | 0 | 0 | 0 | 113.3 | S173 I174 L308 A309 | S173-H311 WeakPolarHBondContact CB-CE1 3.37Å; S173-H311 WeakPolarHBondContact CB-NE2 2.99Å; I174-H311 HydrophobicContact CD1-CB 3.92Å; I174-H311 HydrophobicContact CG1-CB 3.89Å; L308-H311 PolarHBondContact O-N 3.5Å; A309-H311 VanDerWaalsContact C-N 3.31Å; A309-H311 PolarHBondContact O-N 3.17Å |
| 312 | S | 84.7 | Confident | 85.1 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | trans | -102.6 | 112.7 | 176.6 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | L308 A309 G314 L315 K316 | L308-S312 PolarHBondContact O-N 2.97Å; A309-S312 VanDerWaalsContact O-O 3.14Å; S312-G314 VanDerWaalsContact C-N 3.25Å; S312-G314 PolarHBondContact O-N 3.44Å; S312-L315 PolarHBondContact O-N 3.41Å; S312-L315 PolarHBondContact OG-N 3.44Å; S312-K316 PolarHBondContact O-N 2.97Å | ||
| 313 | S | 78.1 | Confident | 85.3 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 44% | 0.441 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60 | -36.5 | 172.7 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | L315 K316 I317 | S313-L315 VanDerWaalsContact C-N 3.34Å; S313-L315 PolarHBondContact O-N 3.47Å; S313-K316 PolarHBondContact O-N 3.22Å; S313-I317 WeakPolarHBondContact O-CG1 3.38Å; S313-I317 PolarHBondContact O-N 3.2Å; S313-I317 VanDerWaalsContact O-N 3.11Å |
| 314 | G | 82.9 | Confident | 85.4 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S312 I317 L318 | S312-G314 VanDerWaalsContact C-N 3.25Å; S312-G314 PolarHBondContact O-N 3.44Å; G314-I317 PolarHBondContact O-N 2.94Å; G314-L318 PolarHBondContact O-N 2.85Å |
| 315 | L | 85.8 | Confident | 85.6 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72 | -32.3 | 178.3 | -173.1 | 50.6 | 0 | 0 | 0 | 112 | A309 S312 S313 L318 I319 | A309-L315 VanDerWaalsContact CA-CD2 3.46Å; A309-L315 HydrophobicContact CB-CB 4.39Å; A309-L315 HydrophobicContact CB-CD2 3.61Å; A309-L315 HydrophobicContact CB-CG 3.69Å; S312-L315 PolarHBondContact O-N 3.41Å; S312-L315 PolarHBondContact OG-N 3.44Å; S313-L315 VanDerWaalsContact C-N 3.34Å; S313-L315 PolarHBondContact O-N 3.47Å; L315-L318 HydrophobicContact CD1-CB 4.35Å; L315-L318 HydrophobicContact CD1-CD2 3.88Å; L315-L318 PolarHBondContact O-N 3.12Å; L315-I319 HydrophobicContact CG-CD1 4.38Å; L315-I319 WeakPolarHBondContact O-CG1 3.44Å; L315-I319 PolarHBondContact O-N 3.39Å |
| 316 | K | 84.7 | Confident | 85.8 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 10% | 0.096 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 170.1 | -62.2 | -176.7 | -174.5 | 175.9 | 0 | 111.9 | L118 L264 A309 K310 S312 S313 I319 Q320 | L118-K316 HydrophobicContact CD2-CB 4.43Å; L264-K316 HydrophobicContact CD1-CD 3.98Å; L264-K316 HydrophobicContact CD1-CG 4.05Å; A309-K316 WeakPolarHBondContact O-CE 3.2Å; A309-K316 VanDerWaalsContact O-CG 3.24Å; A309-K316 WeakPolarHBondContact O-CG 3.37Å; K310-K316 WeakPolarHBondContact O-CE 3.44Å; K310-K316 PolarHBondContact O-NZ 2.92Å; K310-K316 VanDerWaalsContact O-NZ 3.12Å; S312-K316 PolarHBondContact O-N 2.97Å; S313-K316 PolarHBondContact O-N 3.22Å; K316-I319 PolarHBondContact O-N 3.2Å; K316-Q320 PolarHBondContact O-N 3.38Å |
| 317 | I | 84.4 | Confident | 85.9 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -47.7 | 175 | -64.5 | 167.3 | 0 | 0 | 0 | 109.9 | L118 S313 G314 I319 Q320 T321 F419 A423 | L118-I317 HydrophobicContact CD1-CG1 4.05Å; S313-I317 WeakPolarHBondContact O-CG1 3.38Å; S313-I317 PolarHBondContact O-N 3.2Å; S313-I317 VanDerWaalsContact O-N 3.11Å; G314-I317 PolarHBondContact O-N 2.94Å; I317-I319 PolarHBondContact O-N 2.5Å; I317-Q320 PolarHBondContact O-N 3.34Å; I317-T321 PolarHBondContact O-N 2.95Å; I317-T321 PolarHBondContact O-OG1 2.97Å; I317-F419 HydrophobicContact CG2-CB 4.4Å; I317-A423 HydrophobicContact CD1-CB 3.95Å |
| 318 | L | 86.6 | Confident | 86.1 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 40% | 0.398 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.4 | -48.6 | 177.8 | -178.5 | 64.6 | 0 | 0 | 0 | 112.6 | G314 L315 Q320 T321 V322 F416 | G314-L318 PolarHBondContact O-N 2.85Å; L315-L318 HydrophobicContact CD1-CB 4.35Å; L315-L318 HydrophobicContact CD1-CD2 3.88Å; L315-L318 PolarHBondContact O-N 3.12Å; L318-Q320 VanDerWaalsContact C-N 3.29Å; L318-Q320 PolarHBondContact O-N 3.02Å; L318-T321 PolarHBondContact O-N 2.85Å; L318-V322 HydrophobicContact CD1-CG2 4.5Å; L318-V322 WeakPolarHBondContact O-CG2 3.15Å; L318-V322 PolarHBondContact O-N 3.23Å; L318-F416 HydrophobicContact CD1-CD2 4.21Å; L318-F416 HydrophobicContact CD1-CE2 3.81Å |
| 319 | I | 86.9 | Confident | 86.4 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 28% | 0.277 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 178.6 | -69.7 | 166.9 | 0 | 0 | 0 | 110.7 | L264 A309 L315 K316 I317 V322 K323 | L264-I319 HydrophobicContact CD2-CD1 4.13Å; A309-I319 HydrophobicContact CB-CD1 3.75Å; L315-I319 HydrophobicContact CG-CD1 4.38Å; L315-I319 WeakPolarHBondContact O-CG1 3.44Å; L315-I319 PolarHBondContact O-N 3.39Å; K316-I319 PolarHBondContact O-N 3.2Å; I317-I319 PolarHBondContact O-N 2.5Å; I319-V322 PolarHBondContact O-N 3.13Å; I319-K323 WeakPolarHBondContact O-CB 3.4Å; I319-K323 PolarHBondContact O-N 3.16Å |
| 320 | Q | 84.9 | Confident | 86.8 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 21% | 0.206 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.9 | -37.2 | 179.5 | -176 | 61.1 | 16.8 | 0 | 0 | 112.4 | V114 L118 K316 I317 L318 V322 K323 A324 | V114-Q320 HydrophobicContact CG1-CG 3.34Å; L118-Q320 HydrophobicContact CD1-CB 3.65Å; L118-Q320 HydrophobicContact CD1-CG 3.84Å; L118-Q320 HydrophobicContact CD2-CB 3.97Å; L118-Q320 HydrophobicContact CD2-CG 4.27Å; L118-Q320 HydrophobicContact CG-CB 4.38Å; L118-Q320 HydrophobicContact CG-CG 4.43Å; K316-Q320 PolarHBondContact O-N 3.38Å; I317-Q320 PolarHBondContact O-N 3.34Å; L318-Q320 VanDerWaalsContact C-N 3.29Å; L318-Q320 PolarHBondContact O-N 3.02Å; Q320-V322 VanDerWaalsContact C-N 3.35Å; Q320-K323 WeakPolarHBondContact O-CB 3.43Å; Q320-K323 PolarHBondContact O-N 3.33Å; Q320-A324 WeakPolarHBondContact O-CB 3.47Å; Q320-A324 PolarHBondContact O-N 2.65Å |
| 321 | T | 85.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 174.3 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | I317 L318 K323 A324 S325 F416 F419 | I317-T321 PolarHBondContact O-N 2.95Å; I317-T321 PolarHBondContact O-OG1 2.97Å; L318-T321 PolarHBondContact O-N 2.85Å; T321-K323 VanDerWaalsContact C-N 3.33Å; T321-A324 PolarHBondContact O-N 3.18Å; T321-S325 WeakPolarHBondContact O-CB 3.35Å; T321-S325 PolarHBondContact O-N 3Å; T321-S325 PolarHBondContact O-OG 3.19Å; T321-S325 VanDerWaalsContact O-OG 3.05Å; T321-F416 HydrophobicContact CG2-CB 3.98Å; T321-F416 HydrophobicContact CG2-CD2 3.94Å; T321-F416 HydrophobicContact CG2-CG 4.45Å; T321-F419 HydrophobicContact CG2-CD2 4.1Å |
| 322 | V | 88.8 | Confident | 87.6 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 173.9 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | L318 I319 Q320 A324 S325 A326 L329 | L318-V322 HydrophobicContact CD1-CG2 4.5Å; L318-V322 WeakPolarHBondContact O-CG2 3.15Å; L318-V322 PolarHBondContact O-N 3.23Å; I319-V322 PolarHBondContact O-N 3.13Å; Q320-V322 VanDerWaalsContact C-N 3.35Å; V322-A324 PolarHBondContact O-N 3.41Å; V322-S325 CarbonylContact O-C 3.41Å; V322-S325 PolarHBondContact O-N 2.89Å; V322-A326 WeakPolarHBondContact O-CA 3.5Å; V322-A326 PolarHBondContact O-N 3.4Å; V322-L329 HydrophobicContact CG1-CD1 3.91Å |
| 323 | K | 88.3 | Confident | 88 | Confident | 131 Ų | 131 | 59.8 Ų | 59.8 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 175.6 | -173.4 | 179.2 | 178.7 | -179.4 | 0 | 112.3 | I319 Q320 T321 S325 A326 | I319-K323 WeakPolarHBondContact O-CB 3.4Å; I319-K323 PolarHBondContact O-N 3.16Å; Q320-K323 WeakPolarHBondContact O-CB 3.43Å; Q320-K323 PolarHBondContact O-N 3.33Å; T321-K323 VanDerWaalsContact C-N 3.33Å; K323-S325 VanDerWaalsContact C-N 3.32Å; K323-A326 VanDerWaalsContact O-CB 3.28Å; K323-A326 WeakPolarHBondContact O-CB 3.49Å; K323-A326 PolarHBondContact O-N 3.4Å |
| 324 | A | 86.1 | Confident | 88.8 | Confident | 55 Ų | 55 | 63.1 Ų | 63.1 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.9 | -32.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q320 T321 V322 F419 | Q320-A324 WeakPolarHBondContact O-CB 3.47Å; Q320-A324 PolarHBondContact O-N 2.65Å; T321-A324 PolarHBondContact O-N 3.18Å; V322-A324 PolarHBondContact O-N 3.41Å; A324-F419 HydrophobicContact CB-CE2 3.92Å; A324-F419 HydrophobicContact CB-CZ 4.03Å |
| 325 | S | 88.3 | Confident | 89.4 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 11.5 | 178.7 | -49.7 | 0 | 0 | 0 | 0 | 113 | T321 V322 K323 H327 E328 L329 N415 | T321-S325 WeakPolarHBondContact O-CB 3.35Å; T321-S325 PolarHBondContact O-N 3Å; T321-S325 PolarHBondContact O-OG 3.19Å; T321-S325 VanDerWaalsContact O-OG 3.05Å; V322-S325 CarbonylContact O-C 3.41Å; V322-S325 PolarHBondContact O-N 2.89Å; K323-S325 VanDerWaalsContact C-N 3.32Å; S325-H327 VanDerWaalsContact C-N 3.26Å; S325-H327 PolarHBondContact O-N 2.94Å; S325-E328 PolarHBondContact O-N 3.38Å; S325-L329 WeakPolarHBondContact O-CG 3.34Å; S325-L329 PolarHBondContact O-N 2.87Å; S325-N415 PolarHBondContact OG-ND2 3.43Å |
| 326 | A | 90.7 | Very high | 89.9 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -35.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V322 K323 L329 I330 | V322-A326 WeakPolarHBondContact O-CA 3.5Å; V322-A326 PolarHBondContact O-N 3.4Å; K323-A326 VanDerWaalsContact O-CB 3.28Å; K323-A326 WeakPolarHBondContact O-CB 3.49Å; K323-A326 PolarHBondContact O-N 3.4Å; A326-L329 PolarHBondContact O-N 2.86Å; A326-I330 WeakPolarHBondContact O-CB 3.41Å; A326-I330 WeakPolarHBondContact O-CD1 3.29Å; A326-I330 WeakPolarHBondContact O-CG1 3.38Å; A326-I330 PolarHBondContact O-N 3.3Å |
| 327 | H | 90.9 | Very high | 90.4 | Very high | 139 Ų | 139 | 65.2 Ų | 65.2 | 64% | 0.644 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59 | -49.1 | 176.4 | 179.7 | -93.2 | 0 | 0 | 0 | 111.8 | S325 I330 L331 | S325-H327 VanDerWaalsContact C-N 3.26Å; S325-H327 PolarHBondContact O-N 2.94Å; H327-I330 PolarHBondContact O-N 2.85Å; H327-L331 PolarHBondContact O-N 2.9Å |
| 328 | E | 90.4 | Very high | 91 | Very high | 68 Ų | 68 | 68.9 Ų | 68.9 | 32% | 0.318 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 178.9 | -56.9 | -49.6 | 130.2 | 0 | 0 | 112 | S325 L331 L332 V411 | S325-E328 PolarHBondContact O-N 3.38Å; E328-L331 PolarHBondContact O-N 3.41Å; E328-L332 PolarHBondContact O-N 3.41Å; E328-V411 HydrophobicContact CG-CG1 4.46Å |
| 329 | L | 91.7 | Very high | 91.5 | Very high | 51 Ų | 51 | 65.8 Ų | 65.8 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 176.4 | -72 | 170.7 | 0 | 0 | 0 | 112.3 | V322 S325 A326 L331 L332 V333 I412 | V322-L329 HydrophobicContact CG1-CD1 3.91Å; S325-L329 WeakPolarHBondContact O-CG 3.34Å; S325-L329 PolarHBondContact O-N 2.87Å; A326-L329 PolarHBondContact O-N 2.86Å; L329-L331 VanDerWaalsContact C-N 3.34Å; L329-L332 PolarHBondContact O-N 3.45Å; L329-V333 WeakPolarHBondContact O-CG2 3.44Å; L329-V333 PolarHBondContact O-N 3.48Å; L329-I412 HydrophobicContact CD2-CD1 3.53Å; L329-I412 HydrophobicContact CD2-CG1 4.29Å; L329-I412 HydrophobicContact CG-CD1 4.35Å |
| 330 | I | 93.9 | Very high | 92 | Very high | 120 Ų | 120 | 64.1 Ų | 64.1 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 176.8 | -72.3 | 165.3 | 0 | 0 | 0 | 110.1 | A326 H327 L332 V333 F334 | A326-I330 WeakPolarHBondContact O-CB 3.41Å; A326-I330 WeakPolarHBondContact O-CD1 3.29Å; A326-I330 WeakPolarHBondContact O-CG1 3.38Å; A326-I330 PolarHBondContact O-N 3.3Å; H327-I330 PolarHBondContact O-N 2.85Å; I330-L332 VanDerWaalsContact C-N 3.34Å; I330-L332 PolarHBondContact O-N 3Å; I330-V333 PolarHBondContact O-N 3.02Å; I330-F334 WeakPolarHBondContact O-CB 3.4Å; I330-F334 PolarHBondContact O-N 3.28Å |
| 331 | L | 92.4 | Very high | 92.6 | Very high | 88 Ų | 88 | 65.4 Ų | 65.4 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 174.8 | 179.4 | 63.1 | 0 | 0 | 0 | 111.3 | H327 E328 L329 F334 V335 | H327-L331 PolarHBondContact O-N 2.9Å; E328-L331 PolarHBondContact O-N 3.41Å; L329-L331 VanDerWaalsContact C-N 3.34Å; L331-F334 PolarHBondContact O-N 2.85Å; L331-V335 HydrophobicContact CD1-CG2 4.32Å; L331-V335 WeakPolarHBondContact O-CG2 3.28Å; L331-V335 PolarHBondContact O-N 3.01Å |
| 332 | L | 92.9 | Very high | 93.2 | Very high | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.11 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.3 | -51.1 | 176.6 | 170.7 | 63.1 | 0 | 0 | 0 | 111.7 | E328 L329 I330 F334 V335 V336 T404 L405 P408 | E328-L332 PolarHBondContact O-N 3.41Å; L329-L332 PolarHBondContact O-N 3.45Å; I330-L332 VanDerWaalsContact C-N 3.34Å; I330-L332 PolarHBondContact O-N 3Å; L332-F334 VanDerWaalsContact C-N 3.26Å; L332-F334 PolarHBondContact O-N 3.35Å; L332-V335 PolarHBondContact O-N 3.42Å; L332-V336 HydrophobicContact CD1-CG2 3.78Å; L332-V336 HydrophobicContact CG-CG2 4.38Å; L332-V336 WeakPolarHBondContact O-CB 3.31Å; L332-V336 VanDerWaalsContact O-CG2 3.3Å; L332-V336 WeakPolarHBondContact O-CG2 3.38Å; L332-V336 PolarHBondContact O-N 3.3Å; L332-T404 HydrophobicContact CD1-CG2 4.17Å; L332-T404 WeakPolarHBondContact CD1-O 3.32Å; L332-L405 HydrophobicContact CD1-CD2 4.05Å; L332-P408 HydrophobicContact CB-CB 4.46Å; L332-P408 HydrophobicContact CB-CG 4.39Å; L332-P408 HydrophobicContact CD1-CG 3.97Å |
| 333 | V | 94.2 | Very high | 93.6 | Very high | 90 Ų | 90 | 67 Ų | 67 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 179.2 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L329 I330 V336 V337 | L329-V333 WeakPolarHBondContact O-CG2 3.44Å; L329-V333 PolarHBondContact O-N 3.48Å; I330-V333 PolarHBondContact O-N 3.02Å; V333-V336 PolarHBondContact O-N 2.87Å; V333-V337 HydrophobicContact CG1-CG2 4.25Å; V333-V337 WeakPolarHBondContact O-CB 3.35Å; V333-V337 VanDerWaalsContact O-CG2 3.26Å; V333-V337 WeakPolarHBondContact O-CG2 3.32Å; V333-V337 PolarHBondContact O-N 3.33Å |
| 334 | F | 95 | Very high | 94.1 | Very high | 134 Ų | 134 | 60.8 Ų | 60.8 | 59% | 0.588 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.6 | -49.1 | 177.2 | 176.5 | -100.9 | 0 | 0 | 0 | 112.5 | I330 L331 L332 V336 V337 L338 | I330-F334 WeakPolarHBondContact O-CB 3.4Å; I330-F334 PolarHBondContact O-N 3.28Å; L331-F334 PolarHBondContact O-N 2.85Å; L332-F334 VanDerWaalsContact C-N 3.26Å; L332-F334 PolarHBondContact O-N 3.35Å; F334-V336 VanDerWaalsContact C-N 3.34Å; F334-V336 PolarHBondContact O-N 3.47Å; F334-V337 PolarHBondContact O-N 3.19Å; F334-L338 WeakPolarHBondContact O-CB 3.37Å; F334-L338 PolarHBondContact O-N 3.43Å |
| 335 | V | 94.7 | Very high | 94.6 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L331 L332 L338 G339 T404 | L331-V335 HydrophobicContact CD1-CG2 4.32Å; L331-V335 WeakPolarHBondContact O-CG2 3.28Å; L331-V335 PolarHBondContact O-N 3.01Å; L332-V335 PolarHBondContact O-N 3.42Å; V335-L338 PolarHBondContact O-N 3.41Å; V335-G339 PolarHBondContact O-N 3.48Å; V335-T404 HydrophobicContact CB-CG2 4.21Å; V335-T404 HydrophobicContact CG1-CG2 3.59Å |
| 336 | V | 95.3 | Very high | 95 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L332 V333 F334 L338 G339 I340 T404 L405 | L332-V336 HydrophobicContact CD1-CG2 3.78Å; L332-V336 HydrophobicContact CG-CG2 4.38Å; L332-V336 WeakPolarHBondContact O-CB 3.31Å; L332-V336 VanDerWaalsContact O-CG2 3.3Å; L332-V336 WeakPolarHBondContact O-CG2 3.38Å; L332-V336 PolarHBondContact O-N 3.3Å; V333-V336 PolarHBondContact O-N 2.87Å; F334-V336 VanDerWaalsContact C-N 3.34Å; F334-V336 PolarHBondContact O-N 3.47Å; V336-L338 VanDerWaalsContact C-N 3.34Å; V336-L338 PolarHBondContact O-N 2.88Å; V336-G339 PolarHBondContact O-N 3.4Å; V336-I340 HydrophobicContact CG1-CD1 3.63Å; V336-I340 HydrophobicContact CG1-CG1 4.23Å; V336-I340 VanDerWaalsContact O-CG1 3.24Å; V336-I340 WeakPolarHBondContact O-CG1 3.46Å; V336-I340 PolarHBondContact O-N 2.89Å; V336-T404 HydrophobicContact CG2-CG2 3.73Å; V336-L405 HydrophobicContact CG2-CD2 4.34Å |
| 337 | V | 96.5 | Very high | 95.3 | Very high | 78 Ų | 78 | 61.7 Ų | 61.7 | 47% | 0.473 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 178 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | V333 F334 G339 I340 V341 | V333-V337 HydrophobicContact CG1-CG2 4.25Å; V333-V337 WeakPolarHBondContact O-CB 3.35Å; V333-V337 VanDerWaalsContact O-CG2 3.26Å; V333-V337 WeakPolarHBondContact O-CG2 3.32Å; V333-V337 PolarHBondContact O-N 3.33Å; F334-V337 PolarHBondContact O-N 3.19Å; V337-G339 VanDerWaalsContact C-N 3.33Å; V337-G339 PolarHBondContact O-N 2.89Å; V337-I340 PolarHBondContact O-N 3.1Å; V337-V341 WeakPolarHBondContact O-CG2 3.46Å; V337-V341 PolarHBondContact O-N 3.11Å |
| 338 | L | 96.8 | Very high | 95.6 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 55% | 0.55 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.1 | -178.3 | 65.7 | 0 | 0 | 0 | 111.4 | F334 V335 V336 V341 L342 | F334-L338 WeakPolarHBondContact O-CB 3.37Å; F334-L338 PolarHBondContact O-N 3.43Å; V335-L338 PolarHBondContact O-N 3.41Å; V336-L338 VanDerWaalsContact C-N 3.34Å; V336-L338 PolarHBondContact O-N 2.88Å; L338-V341 PolarHBondContact O-N 3.03Å; L338-L342 VanDerWaalsContact O-CB 3.31Å; L338-L342 WeakPolarHBondContact O-CB 3.29Å; L338-L342 PolarHBondContact O-N 3.41Å |
| 339 | G | 97.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 12% | 0.124 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V335 V336 V337 V341 L342 Y343 | V335-G339 PolarHBondContact O-N 3.48Å; V336-G339 PolarHBondContact O-N 3.4Å; V337-G339 VanDerWaalsContact C-N 3.33Å; V337-G339 PolarHBondContact O-N 2.89Å; G339-V341 PolarHBondContact O-N 3.45Å; G339-L342 PolarHBondContact O-N 3.44Å; G339-Y343 VanDerWaalsContact O-CD2 3.26Å; G339-Y343 WeakPolarHBondContact O-CD2 3.24Å; G339-Y343 PolarHBondContact O-N 3.1Å |
| 340 | I | 97.5 | Very high | 96 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -47 | 178.4 | -69.2 | 163.5 | 0 | 0 | 0 | 110.2 | V336 V337 G344 L368 A371 I372 M375 | V336-I340 HydrophobicContact CG1-CD1 3.63Å; V336-I340 HydrophobicContact CG1-CG1 4.23Å; V336-I340 VanDerWaalsContact O-CG1 3.24Å; V336-I340 WeakPolarHBondContact O-CG1 3.46Å; V336-I340 PolarHBondContact O-N 2.89Å; V337-I340 PolarHBondContact O-N 3.1Å; I340-G344 WeakPolarHBondContact O-CA 3.44Å; I340-G344 PolarHBondContact O-N 3.13Å; I340-L368 HydrophobicContact CG2-CB 4.03Å; I340-L368 HydrophobicContact CG2-CD2 4.01Å; I340-L368 WeakPolarHBondContact CG2-O 3.49Å; I340-L368 WeakPolarHBondContact O-CD2 3.42Å; I340-A371 HydrophobicContact CG2-CB 4.23Å; I340-I372 HydrophobicContact CD1-CB 3.75Å; I340-I372 HydrophobicContact CD1-CD1 3.99Å; I340-I372 HydrophobicContact CD1-CG1 3.72Å; I340-I372 HydrophobicContact CG1-CB 4.06Å; I340-I372 HydrophobicContact CG1-CG1 4.49Å; I340-I372 HydrophobicContact CG2-CB 4.42Å; I340-M375 HydrophobicContact CG1-SD 3.95Å; I340-M375 PolarHBondContact N-SD 3.4Å |
| 341 | V | 97.5 | Very high | 96.1 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | V337 L338 G339 S345 L368 | V337-V341 WeakPolarHBondContact O-CG2 3.46Å; V337-V341 PolarHBondContact O-N 3.11Å; L338-V341 PolarHBondContact O-N 3.03Å; G339-V341 PolarHBondContact O-N 3.45Å; V341-S345 VanDerWaalsContact O-CB 3.3Å; V341-S345 WeakPolarHBondContact O-CB 3.43Å; V341-S345 PolarHBondContact O-N 3.27Å; V341-S345 VanDerWaalsContact O-N 3.12Å; V341-S345 PolarHBondContact O-OG 3.08Å; V341-L368 HydrophobicContact CB-CD2 4.43Å; V341-L368 HydrophobicContact CG2-CD2 4.25Å |
| 342 | L | 97.9 | Very high | 96.1 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 45% | 0.445 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -55.5 | 178.9 | 179.9 | 141 | 0 | 0 | 0 | 111.5 | L338 G339 S345 L346 | L338-L342 VanDerWaalsContact O-CB 3.31Å; L338-L342 WeakPolarHBondContact O-CB 3.29Å; L338-L342 PolarHBondContact O-N 3.41Å; G339-L342 PolarHBondContact O-N 3.44Å; L342-S345 PolarHBondContact O-N 3.29Å; L342-L346 HydrophobicContact CD2-CD1 3.58Å; L342-L346 HydrophobicContact CG-CD1 4.08Å; L342-L346 WeakPolarHBondContact O-CB 3.32Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.48Å; L342-L346 PolarHBondContact O-N 3.27Å |
| 343 | Y | 98 | Very high | 95.9 | Very high | 27 Ų | 27 | 60.1 Ų | 60.1 | 11% | 0.106 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.6 | -35.5 | -176.7 | -72.6 | -64.8 | 0 | 0 | 0 | 113.1 | G339 S345 L346 I347 M375 I393 L396 C397 T400 | G339-Y343 VanDerWaalsContact O-CD2 3.26Å; G339-Y343 WeakPolarHBondContact O-CD2 3.24Å; G339-Y343 PolarHBondContact O-N 3.1Å; Y343-S345 VanDerWaalsContact C-N 3.28Å; Y343-S345 PolarHBondContact O-N 3.49Å; Y343-L346 HydrophobicContact CD1-CD1 4.28Å; Y343-L346 PolarHBondContact O-N 3.42Å; Y343-I347 WeakPolarHBondContact O-CB 3.1Å; Y343-I347 WeakPolarHBondContact O-CG2 3.49Å; Y343-I347 PolarHBondContact O-N 3.43Å; Y343-M375 HydrophobicContact CD2-SD 4.22Å; Y343-I393 HydrophobicContact CD1-CG2 4Å; Y343-L396 HydrophobicContact CE1-CB 4.27Å; Y343-L396 PolarHBondContact OH-O 3.38Å; Y343-C397 HydrophobicContact CD1-CB 3.66Å; Y343-C397 HydrophobicContact CD2-CB 4.11Å; Y343-C397 HydrophobicContact CE1-CB 3.99Å; Y343-C397 HydrophobicContact CE2-CB 4.41Å; Y343-C397 HydrophobicContact CG-CB 3.73Å; Y343-T400 WeakPolarHBondContact CE2-OG1 3.21Å; Y343-T400 VanDerWaalsContact CZ-OG1 3.23Å; Y343-T400 WeakPolarHBondContact OH-CG2 3.18Å; Y343-T400 PolarHBondContact OH-OG1 3.33Å |
| 344 | G | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I340 I347 G367 | I340-G344 WeakPolarHBondContact O-CA 3.44Å; I340-G344 PolarHBondContact O-N 3.13Å; G344-I347 WeakPolarHBondContact O-CG2 3.05Å; G344-G367 VanDerWaalsContact CA-C 3.41Å; G344-G367 VanDerWaalsContact CA-O 3.3Å; G344-G367 WeakPolarHBondContact CA-O 3.26Å |
| 345 | S | 97.6 | Very high | 95.3 | Very high | 33 Ų | 33 | 61.9 Ų | 61.9 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -77.2 | -43.2 | 173 | -54.4 | 0 | 0 | 0 | 0 | 112 | V341 L342 Y343 I347 F348 Y349 | V341-S345 VanDerWaalsContact O-CB 3.3Å; V341-S345 WeakPolarHBondContact O-CB 3.43Å; V341-S345 PolarHBondContact O-N 3.27Å; V341-S345 VanDerWaalsContact O-N 3.12Å; V341-S345 PolarHBondContact O-OG 3.08Å; L342-S345 PolarHBondContact O-N 3.29Å; Y343-S345 VanDerWaalsContact C-N 3.28Å; Y343-S345 PolarHBondContact O-N 3.49Å; S345-I347 PolarHBondContact O-N 3.11Å; S345-F348 PolarHBondContact O-N 3.44Å; S345-Y349 VanDerWaalsContact O-CD2 3.23Å; S345-Y349 WeakPolarHBondContact O-CD2 3.38Å; S345-Y349 PolarHBondContact O-N 3.38Å |
| 346 | L | 97.5 | Very high | 94.9 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 41% | 0.408 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 179.6 | -78.6 | 176.7 | 0 | 0 | 0 | 112.2 | L342 Y343 F348 Y349 A350 I393 | L342-L346 HydrophobicContact CD2-CD1 3.58Å; L342-L346 HydrophobicContact CG-CD1 4.08Å; L342-L346 WeakPolarHBondContact O-CB 3.32Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.48Å; L342-L346 PolarHBondContact O-N 3.27Å; Y343-L346 HydrophobicContact CD1-CD1 4.28Å; Y343-L346 PolarHBondContact O-N 3.42Å; L346-F348 VanDerWaalsContact C-N 3.34Å; L346-F348 PolarHBondContact O-N 3.23Å; L346-Y349 PolarHBondContact O-N 3.35Å; L346-A350 VanDerWaalsContact O-CB 3.29Å; L346-A350 WeakPolarHBondContact O-CB 3.49Å; L346-A350 PolarHBondContact O-N 3.19Å; L346-I393 HydrophobicContact CB-CD1 4.28Å; L346-I393 HydrophobicContact CB-CG2 4.08Å |
| 347 | I | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | -179.1 | -167.3 | 62.8 | 0 | 0 | 0 | 112 | Y343 G344 S345 Y349 A350 E351 F361 W370 P385 | Y343-I347 WeakPolarHBondContact O-CB 3.1Å; Y343-I347 WeakPolarHBondContact O-CG2 3.49Å; Y343-I347 PolarHBondContact O-N 3.43Å; G344-I347 WeakPolarHBondContact O-CG2 3.05Å; S345-I347 PolarHBondContact O-N 3.11Å; I347-Y349 PolarHBondContact O-N 3.12Å; I347-A350 PolarHBondContact O-N 3.02Å; I347-E351 HydrophobicContact CD1-CG 4.07Å; I347-E351 HydrophobicContact CG1-CG 4.28Å; I347-E351 PolarHBondContact O-N 3.3Å; I347-F361 HydrophobicContact CB-CD1 4.39Å; I347-F361 HydrophobicContact CB-CE1 4.21Å; I347-F361 HydrophobicContact CD1-CE2 4.42Å; I347-F361 HydrophobicContact CD1-CZ 4.34Å; I347-F361 HydrophobicContact CG1-CD1 3.9Å; I347-F361 HydrophobicContact CG1-CD2 4.16Å; I347-F361 HydrophobicContact CG1-CE1 3.53Å; I347-F361 HydrophobicContact CG1-CE2 3.8Å; I347-F361 HydrophobicContact CG1-CG 4.19Å; I347-F361 HydrophobicContact CG1-CZ 3.48Å; I347-F361 VanDerWaalsContact CG1-CZ 3.48Å; I347-F361 HydrophobicContact CG2-CD1 3.57Å; I347-F361 HydrophobicContact CG2-CE1 3.55Å; I347-F361 HydrophobicContact CG2-CG 4.4Å; I347-F361 HydrophobicContact CG2-CZ 4.37Å; I347-W370 HydrophobicContact CB-CE3 4.09Å; I347-W370 HydrophobicContact CB-CH2 4.35Å; I347-W370 HydrophobicContact CB-CZ3 3.77Å; I347-W370 HydrophobicContact CD1-CH2 4.31Å; I347-W370 HydrophobicContact CG1-CE3 4.22Å; I347-W370 HydrophobicContact CG1-CH2 4.25Å; I347-W370 HydrophobicContact CG1-CZ3 4.04Å; I347-W370 HydrophobicContact CG2-CE3 3.72Å; I347-W370 HydrophobicContact CG2-CZ3 3.88Å; I347-P385 HydrophobicContact CD1-CB 3.79Å |
| 348 | F | 96.3 | Very high | 94.1 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 176.3 | 170.2 | -98.9 | 0 | 0 | 0 | 111.9 | S345 L346 R352 F361 D362 I364 | S345-F348 PolarHBondContact O-N 3.44Å; L346-F348 VanDerWaalsContact C-N 3.34Å; L346-F348 PolarHBondContact O-N 3.23Å; F348-R352 PolarHBondContact O-N 3.17Å; F348-F361 VanDerWaalsContact CD2-O 3.32Å; F348-F361 WeakPolarHBondContact CD2-O 3.35Å; F348-D362 WeakPolarHBondContact CE2-O 3.44Å; F348-I364 HydrophobicContact CB-CG1 4.4Å; F348-I364 HydrophobicContact CD1-CD1 4.48Å; F348-I364 HydrophobicContact CD1-CG1 3.82Å; F348-I364 HydrophobicContact CD2-CG1 4.47Å; F348-I364 HydrophobicContact CE1-CG1 4.21Å; F348-I364 HydrophobicContact CG-CG1 3.96Å |
| 349 | Y | 95.7 | Very high | 93.9 | Very high | 151 Ų | 151 | 65.2 Ų | 65.2 | 59% | 0.592 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -73 | -34.2 | 177.4 | -73.7 | -65.1 | 0 | 0 | 0 | 113 | S345 L346 I347 R352 S353 | S345-Y349 VanDerWaalsContact O-CD2 3.23Å; S345-Y349 WeakPolarHBondContact O-CD2 3.38Å; S345-Y349 PolarHBondContact O-N 3.38Å; L346-Y349 PolarHBondContact O-N 3.35Å; I347-Y349 PolarHBondContact O-N 3.12Å; Y349-R352 PolarHBondContact O-N 2.74Å; Y349-S353 PolarHBondContact O-N 3.1Å; Y349-S353 VanDerWaalsContact O-N 3.16Å |
| 350 | A | 95.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 67 Ų | 67 | 5% | 0.05 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L346 I347 R352 S353 V389 I393 | L346-A350 VanDerWaalsContact O-CB 3.29Å; L346-A350 WeakPolarHBondContact O-CB 3.49Å; L346-A350 PolarHBondContact O-N 3.19Å; I347-A350 PolarHBondContact O-N 3.02Å; A350-R352 PolarHBondContact O-N 2.98Å; A350-S353 WeakPolarHBondContact O-CB 3.34Å; A350-S353 PolarHBondContact O-N 2.97Å; A350-S353 VanDerWaalsContact O-N 3.07Å; A350-S353 PolarHBondContact O-OG 3.29Å; A350-V389 HydrophobicContact CB-CB 4.43Å; A350-V389 HydrophobicContact CB-CG1 3.94Å; A350-I393 HydrophobicContact CB-CD1 3.38Å |
| 351 | E | 95 | Very high | 93.6 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.1 | -23 | 178.6 | -73.4 | -69.1 | 134 | 0 | 0 | 112.9 | I347 N356 N359 F361 P385 K386 T387 | I347-E351 HydrophobicContact CD1-CG 4.07Å; I347-E351 HydrophobicContact CG1-CG 4.28Å; I347-E351 PolarHBondContact O-N 3.3Å; E351-N356 PolarHBondContact OE2-ND2 2.77Å; E351-N359 WeakPolarHBondContact CB-OD1 3.42Å; E351-F361 HydrophobicContact CB-CD2 4.22Å; E351-F361 HydrophobicContact CG-CD2 3.61Å; E351-F361 HydrophobicContact CG-CE2 4.03Å; E351-F361 HydrophobicContact CG-CG 4.38Å; E351-P385 WeakPolarHBondContact OE1-CA 3.33Å; E351-K386 PolarHBondContact OE1-N 2.84Å; E351-K386 PolarHBondContact OE2-N 2.68Å; E351-T387 WeakPolarHBondContact OE1-CB 3.44Å; E351-T387 PolarHBondContact OE1-N 2.97Å; E351-T387 PolarHBondContact OE1-OG1 3.06Å; E351-T387 WeakPolarHBondContact OE2-CG2 3.3Å |
| 352 | R | 92.1 | Very high | 93.3 | Very high | 183 Ų | 183 | 68.7 Ų | 68.7 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -85.4 | -13.2 | 173.7 | -163 | 172.8 | -179 | 94.1 | 2.9 | 113.7 | F348 Y349 A350 E354 | F348-R352 PolarHBondContact O-N 3.17Å; Y349-R352 PolarHBondContact O-N 2.74Å; A350-R352 PolarHBondContact O-N 2.98Å; R352-E354 VanDerWaalsContact C-N 3.34Å |
| 353 | S | 89.5 | Confident | 93.2 | Very high | 83 Ų | 83 | 66.7 Ų | 66.7 | 58% | 0.58 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -73.3 | -28.3 | -177.3 | 72.9 | 0 | 0 | 0 | 0 | 112.9 | Y349 A350 | Y349-S353 PolarHBondContact O-N 3.1Å; Y349-S353 VanDerWaalsContact O-N 3.16Å; A350-S353 WeakPolarHBondContact O-CB 3.34Å; A350-S353 PolarHBondContact O-N 2.97Å; A350-S353 VanDerWaalsContact O-N 3.07Å; A350-S353 PolarHBondContact O-OG 3.29Å |
| 354 | E | 88.4 | Confident | 93.1 | Very high | 99 Ų | 99 | 68.4 Ų | 68.4 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -112.2 | 151 | 176.1 | -177 | 167.4 | -150.3 | 0 | 0 | 109.3 | R352 N356 T387 | R352-E354 VanDerWaalsContact C-N 3.34Å; E354-N356 PolarHBondContact O-N 2.85Å; E354-T387 HydrophobicContact CB-CG2 3.8Å; E354-T387 HydrophobicContact CG-CG2 4.41Å; E354-T387 WeakPolarHBondContact OE2-CB 3.42Å |
| 355 | N | 86.9 | Confident | 93.1 | Very high | 162 Ų | 162 | 72.5 Ų | 72.5 | 87% | 0.866 | 38% | 0.378 | S | S | * | . | trans | -75.1 | 93.6 | -178.6 | -164.4 | 19 | 0 | 0 | 0 | 110 | ||||
| 356 | N | 86.2 | Confident | 93.1 | Very high | 31 Ų | 31 | 74.2 Ų | 74.2 | 17% | 0.166 | 39% | 0.385 | C | S | . | . | trans | -110.5 | 105.4 | -179.9 | -179.9 | 12 | 0 | 0 | 0 | 111 | E351 E354 E358 T387 | E351-N356 PolarHBondContact OE2-ND2 2.77Å; E354-N356 PolarHBondContact O-N 2.85Å; N356-E358 VanDerWaalsContact C-N 3.26Å; N356-E358 PolarHBondContact O-N 3.42Å; N356-E358 PolarHBondContact OD1-N 2.94Å; N356-T387 HydrophobicContact CB-CG2 4.15Å | ||
| 357 | P | 87.4 | Confident | 93 | Very high | 126 Ų | 126 | 70.5 Ų | 70.5 | 82% | 0.818 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.6 | 178.9 | 28.4 | -33.9 | 0 | 0 | 0 | 113.6 | ||
| 358 | E | 89.3 | Confident | 93.1 | Very high | 139 Ų | 139 | 73 Ų | 73 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 43.9 | 176.9 | -60.8 | -175.5 | 179.5 | 0 | 0 | 110.3 | N356 D360 K386 | N356-E358 VanDerWaalsContact C-N 3.26Å; N356-E358 PolarHBondContact O-N 3.42Å; N356-E358 PolarHBondContact OD1-N 2.94Å; E358-D360 PolarHBondContact O-N 3.47Å; E358-K386 HydrophobicContact CB-CD 4.16Å; E358-K386 WeakPolarHBondContact O-CD 3.23Å; E358-K386 WeakPolarHBondContact O-CE 3.3Å; E358-K386 PolarHBondContact O-NZ 3.4Å |
| 359 | N | 91.9 | Very high | 93.1 | Very high | 34 Ų | 34 | 76.8 Ų | 76.8 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | trans | -71.7 | 123.3 | 178.9 | -178.7 | 21.8 | 0 | 0 | 0 | 111.3 | E351 F361 | E351-N359 WeakPolarHBondContact CB-OD1 3.42Å; N359-F361 PolarHBondContact ND2-O 3.45Å; N359-F361 WeakPolarHBondContact OD1-CB 3.33Å; N359-F361 PolarHBondContact OD1-N 2.88Å | ||
| 360 | D | 93.3 | Very high | 93.3 | Very high | 48 Ų | 48 | 70.2 Ų | 70.2 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -84.9 | -16.1 | 175.4 | -55.4 | -30.3 | 0 | 0 | 0 | 111.8 | E358 D362 M383 V384 K386 | E358-D360 PolarHBondContact O-N 3.47Å; D360-D362 PolarHBondContact O-N 3.26Å; D360-M383 HydrophobicContact CB-CB 4.16Å; D360-M383 HydrophobicContact CB-CE 4.28Å; D360-M383 HydrophobicContact CB-CG 4.25Å; D360-M383 WeakPolarHBondContact O-CE 3.37Å; D360-V384 PolarHBondContact OD2-N 3.16Å; D360-K386 VanDerWaalsContact CG-NZ 3.31Å; D360-K386 IonicContact OD1-NZ 2.72Å; D360-K386 PolarHBondContact OD1-NZ 3.02Å; D360-K386 WeakPolarHBondContact OD2-CE 3.48Å; D360-K386 IonicContact OD2-NZ 2.65Å; D360-K386 PolarHBondContact OD2-NZ 3.16Å; D360-K386 VanDerWaalsContact OD2-NZ 3.16Å |
| 361 | F | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | trans | -99 | 68.4 | -172 | -59.2 | -91.7 | 0 | 0 | 0 | 112.6 | I347 F348 E351 N359 S363 W370 M383 V384 | I347-F361 HydrophobicContact CB-CD1 4.39Å; I347-F361 HydrophobicContact CB-CE1 4.21Å; I347-F361 HydrophobicContact CD1-CE2 4.42Å; I347-F361 HydrophobicContact CD1-CZ 4.34Å; I347-F361 HydrophobicContact CG1-CD1 3.9Å; I347-F361 HydrophobicContact CG1-CD2 4.16Å; I347-F361 HydrophobicContact CG1-CE1 3.53Å; I347-F361 HydrophobicContact CG1-CE2 3.8Å; I347-F361 HydrophobicContact CG1-CG 4.19Å; I347-F361 HydrophobicContact CG1-CZ 3.48Å; I347-F361 VanDerWaalsContact CG1-CZ 3.48Å; I347-F361 HydrophobicContact CG2-CD1 3.57Å; I347-F361 HydrophobicContact CG2-CE1 3.55Å; I347-F361 HydrophobicContact CG2-CG 4.4Å; I347-F361 HydrophobicContact CG2-CZ 4.37Å; F348-F361 VanDerWaalsContact CD2-O 3.32Å; F348-F361 WeakPolarHBondContact CD2-O 3.35Å; E351-F361 HydrophobicContact CB-CD2 4.22Å; E351-F361 HydrophobicContact CG-CD2 3.61Å; E351-F361 HydrophobicContact CG-CE2 4.03Å; E351-F361 HydrophobicContact CG-CG 4.38Å; N359-F361 PolarHBondContact ND2-O 3.45Å; N359-F361 WeakPolarHBondContact OD1-CB 3.33Å; N359-F361 PolarHBondContact OD1-N 2.88Å; F361-S363 VanDerWaalsContact C-N 3.34Å; F361-S363 PolarHBondContact O-N 2.93Å; F361-W370 HydrophobicContact CE1-CB 3.63Å; F361-W370 AromaticContact CE1-CD2 3.81Å; F361-W370 HydrophobicContact CE1-CD2 3.81Å; F361-W370 HydrophobicContact CE1-CE3 4.15Å; F361-W370 AromaticContact CE1-CG 3.57Å; F361-W370 HydrophobicContact CE1-CG 3.57Å; F361-W370 HydrophobicContact CZ-CB 4.24Å; F361-W370 AromaticContact CZ-CD1 3.91Å; F361-W370 AromaticContact CZ-CD2 3.93Å; F361-W370 HydrophobicContact CZ-CD2 3.93Å; F361-W370 AromaticContact CZ-CG 3.75Å; F361-W370 HydrophobicContact CZ-CG 3.75Å; F361-M383 HydrophobicContact CD1-CE 3.82Å; F361-M383 HydrophobicContact CE1-CE 4.04Å; F361-M383 HydrophobicContact CG-CE 4.25Å; F361-M383 HydrophobicContact CZ-CB 4.45Å; F361-V384 WeakPolarHBondContact CE2-O 3.49Å | ||
| 362 | D | 91.7 | Very high | 93.4 | Very high | 126 Ų | 126 | 73.3 Ų | 73.3 | 67% | 0.674 | 38% | 0.381 | S | S | * | . | trans | -72.5 | -25 | -179.6 | -74.1 | -32.8 | 0 | 0 | 0 | 114.3 | F348 D360 L366 | F348-D362 WeakPolarHBondContact CE2-O 3.44Å; D360-D362 PolarHBondContact O-N 3.26Å; D362-L366 HydrophobicContact CB-CD1 4.23Å | ||
| 363 | S | 95.5 | Very high | 93.7 | Very high | 43 Ų | 43 | 64.9 Ų | 64.9 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -147.2 | 154 | -177 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | F361 L366 G367 | F361-S363 VanDerWaalsContact C-N 3.34Å; F361-S363 PolarHBondContact O-N 2.93Å; S363-L366 WeakPolarHBondContact O-CB 3.39Å; S363-L366 PolarHBondContact O-N 3.41Å; S363-L366 VanDerWaalsContact O-N 3.15Å; S363-L366 WeakPolarHBondContact OG-CG 3.28Å; S363-G367 PolarHBondContact O-N 2.86Å; S363-G367 VanDerWaalsContact O-N 3.16Å |
| 364 | I | 95.7 | Very high | 94 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.2 | -43.2 | 178.5 | -59.1 | 170.5 | 0 | 0 | 0 | 111.8 | F348 L366 G367 L368 | F348-I364 HydrophobicContact CB-CG1 4.4Å; F348-I364 HydrophobicContact CD1-CD1 4.48Å; F348-I364 HydrophobicContact CD1-CG1 3.82Å; F348-I364 HydrophobicContact CD2-CG1 4.47Å; F348-I364 HydrophobicContact CE1-CG1 4.21Å; F348-I364 HydrophobicContact CG-CG1 3.96Å; I364-L366 VanDerWaalsContact C-N 3.28Å; I364-L366 PolarHBondContact O-N 2.99Å; I364-G367 CarbonylContact O-C 3.49Å; I364-G367 WeakPolarHBondContact O-CA 3.49Å; I364-G367 PolarHBondContact O-N 3.26Å; I364-L368 HydrophobicContact CG2-CG 4.41Å; I364-L368 WeakPolarHBondContact O-CG 3.42Å; I364-L368 PolarHBondContact O-N 2.87Å |
| 365 | P | 97.5 | Very high | 94.4 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 56% | 0.558 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -57.9 | -34.4 | 176.5 | -27.4 | 36.8 | 0 | 0 | 0 | 114.8 | L368 W369 | P365-L368 WeakPolarHBondContact O-CB 3.3Å; P365-L368 PolarHBondContact O-N 3.45Å; P365-W369 PolarHBondContact O-N 2.95Å |
| 366 | L | 96.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 172.8 | -68.9 | 172.4 | 0 | 0 | 0 | 111.2 | D362 S363 I364 L368 W369 W370 M383 | D362-L366 HydrophobicContact CB-CD1 4.23Å; S363-L366 WeakPolarHBondContact O-CB 3.39Å; S363-L366 PolarHBondContact O-N 3.41Å; S363-L366 VanDerWaalsContact O-N 3.15Å; S363-L366 WeakPolarHBondContact OG-CG 3.28Å; I364-L366 VanDerWaalsContact C-N 3.28Å; I364-L366 PolarHBondContact O-N 2.99Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-L368 PolarHBondContact O-N 3.13Å; L366-W369 WeakPolarHBondContact O-CB 3.28Å; L366-W369 PolarHBondContact O-N 2.97Å; L366-W370 PolarHBondContact O-N 3.24Å; L366-M383 HydrophobicContact CB-CE 3.63Å; L366-M383 HydrophobicContact CB-SD 4.3Å |
| 367 | G | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60 | -38.3 | 169 | 0 | 0 | 0 | 0 | 0 | 113.2 | G344 S363 I364 W369 W370 A371 | G344-G367 VanDerWaalsContact CA-C 3.41Å; G344-G367 VanDerWaalsContact CA-O 3.3Å; G344-G367 WeakPolarHBondContact CA-O 3.26Å; S363-G367 PolarHBondContact O-N 2.86Å; S363-G367 VanDerWaalsContact O-N 3.16Å; I364-G367 CarbonylContact O-C 3.49Å; I364-G367 WeakPolarHBondContact O-CA 3.49Å; I364-G367 PolarHBondContact O-N 3.26Å; G367-W369 VanDerWaalsContact C-N 3.35Å; G367-W370 PolarHBondContact O-N 3Å; G367-A371 VanDerWaalsContact O-CB 3.29Å; G367-A371 WeakPolarHBondContact O-CB 3.42Å; G367-A371 PolarHBondContact O-N 2.96Å |
| 368 | L | 97.8 | Very high | 95.5 | Very high | 54 Ų | 54 | 53 Ų | 53 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 174.3 | -59 | 179.3 | 0 | 0 | 0 | 111.5 | I340 V341 I364 P365 L366 A371 I372 | I340-L368 HydrophobicContact CG2-CB 4.03Å; I340-L368 HydrophobicContact CG2-CD2 4.01Å; I340-L368 WeakPolarHBondContact CG2-O 3.49Å; I340-L368 WeakPolarHBondContact O-CD2 3.42Å; V341-L368 HydrophobicContact CB-CD2 4.43Å; V341-L368 HydrophobicContact CG2-CD2 4.25Å; I364-L368 HydrophobicContact CG2-CG 4.41Å; I364-L368 WeakPolarHBondContact O-CG 3.42Å; I364-L368 PolarHBondContact O-N 2.87Å; P365-L368 WeakPolarHBondContact O-CB 3.3Å; P365-L368 PolarHBondContact O-N 3.45Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-L368 PolarHBondContact O-N 3.13Å; L368-A371 PolarHBondContact O-N 3.07Å; L368-I372 WeakPolarHBondContact O-CG2 3.44Å; L368-I372 PolarHBondContact O-N 3.46Å |
| 369 | W | 97.8 | Very high | 95.8 | Very high | 110 Ų | 110 | 48.9 Ų | 48.9 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 174 | 166.3 | -104.2 | 0 | 0 | 0 | 111.9 | P365 L366 G367 A371 I372 V373 Y380 D382 | P365-W369 PolarHBondContact O-N 2.95Å; L366-W369 WeakPolarHBondContact O-CB 3.28Å; L366-W369 PolarHBondContact O-N 2.97Å; G367-W369 VanDerWaalsContact C-N 3.35Å; W369-A371 VanDerWaalsContact C-N 3.32Å; W369-A371 PolarHBondContact O-N 3.16Å; W369-I372 HydrophobicContact CE3-CG2 4.32Å; W369-I372 WeakPolarHBondContact O-CG2 3.3Å; W369-I372 PolarHBondContact O-N 3.46Å; W369-V373 HydrophobicContact CD2-CG2 4.12Å; W369-V373 HydrophobicContact CE3-CG2 4.3Å; W369-V373 HydrophobicContact CH2-CG2 4.07Å; W369-V373 HydrophobicContact CZ2-CG2 3.86Å; W369-V373 HydrophobicContact CZ3-CG2 4.27Å; W369-V373 WeakPolarHBondContact O-CB 3.26Å; W369-V373 WeakPolarHBondContact O-CG2 3.44Å; W369-V373 PolarHBondContact O-N 3.28Å; W369-V373 VanDerWaalsContact O-N 3.1Å; W369-Y380 HydrophobicContact CH2-CD2 4.35Å; W369-Y380 AromaticContact CH2-CE2 3.97Å; W369-Y380 HydrophobicContact CH2-CE2 3.97Å; W369-Y380 AromaticContact CZ2-CD2 3.87Å; W369-Y380 HydrophobicContact CZ2-CD2 3.87Å; W369-Y380 AromaticContact CZ2-CE2 3.97Å; W369-Y380 HydrophobicContact CZ2-CE2 3.97Å; W369-D382 PolarHBondContact NE1-OD2 3.12Å |
| 370 | W | 97.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.045 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 174.4 | 170.2 | 83.8 | 0 | 0 | 0 | 112.1 | I347 F361 L366 G367 V373 T374 P385 C397 | I347-W370 HydrophobicContact CB-CE3 4.09Å; I347-W370 HydrophobicContact CB-CH2 4.35Å; I347-W370 HydrophobicContact CB-CZ3 3.77Å; I347-W370 HydrophobicContact CD1-CH2 4.31Å; I347-W370 HydrophobicContact CG1-CE3 4.22Å; I347-W370 HydrophobicContact CG1-CH2 4.25Å; I347-W370 HydrophobicContact CG1-CZ3 4.04Å; I347-W370 HydrophobicContact CG2-CE3 3.72Å; I347-W370 HydrophobicContact CG2-CZ3 3.88Å; F361-W370 HydrophobicContact CE1-CB 3.63Å; F361-W370 AromaticContact CE1-CD2 3.81Å; F361-W370 HydrophobicContact CE1-CD2 3.81Å; F361-W370 HydrophobicContact CE1-CE3 4.15Å; F361-W370 AromaticContact CE1-CG 3.57Å; F361-W370 HydrophobicContact CE1-CG 3.57Å; F361-W370 HydrophobicContact CZ-CB 4.24Å; F361-W370 AromaticContact CZ-CD1 3.91Å; F361-W370 AromaticContact CZ-CD2 3.93Å; F361-W370 HydrophobicContact CZ-CD2 3.93Å; F361-W370 AromaticContact CZ-CG 3.75Å; F361-W370 HydrophobicContact CZ-CG 3.75Å; L366-W370 PolarHBondContact O-N 3.24Å; G367-W370 PolarHBondContact O-N 3Å; W370-V373 PolarHBondContact O-N 2.72Å; W370-T374 HydrophobicContact CZ2-CG2 4.43Å; W370-T374 PolarHBondContact NE1-OG1 2.91Å; W370-T374 VanDerWaalsContact O-CB 3.28Å; W370-T374 WeakPolarHBondContact O-CB 3.33Å; W370-T374 PolarHBondContact O-N 2.63Å; W370-T374 PolarHBondContact O-OG1 3.48Å; W370-P385 HydrophobicContact CZ2-CG 4.42Å; W370-C397 HydrophobicContact CH2-CB 3.97Å; W370-C397 HydrophobicContact CZ3-CB 4.42Å |
| 371 | A | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -40.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | I340 G367 L368 W369 T374 M375 | I340-A371 HydrophobicContact CG2-CB 4.23Å; G367-A371 VanDerWaalsContact O-CB 3.29Å; G367-A371 WeakPolarHBondContact O-CB 3.42Å; G367-A371 PolarHBondContact O-N 2.96Å; L368-A371 PolarHBondContact O-N 3.07Å; W369-A371 VanDerWaalsContact C-N 3.32Å; W369-A371 PolarHBondContact O-N 3.16Å; A371-T374 PolarHBondContact O-N 3.29Å; A371-M375 WeakPolarHBondContact O-CB 3.42Å; A371-M375 VanDerWaalsContact O-CG 3.28Å; A371-M375 WeakPolarHBondContact O-CG 3.23Å; A371-M375 PolarHBondContact O-N 3.48Å |
| 372 | I | 97.1 | Very high | 96 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 174.8 | -170.9 | 168.8 | 0 | 0 | 0 | 111.3 | I340 L368 W369 T374 C376 | I340-I372 HydrophobicContact CD1-CB 3.75Å; I340-I372 HydrophobicContact CD1-CD1 3.99Å; I340-I372 HydrophobicContact CD1-CG1 3.72Å; I340-I372 HydrophobicContact CG1-CB 4.06Å; I340-I372 HydrophobicContact CG1-CG1 4.49Å; I340-I372 HydrophobicContact CG2-CB 4.42Å; L368-I372 WeakPolarHBondContact O-CG2 3.44Å; L368-I372 PolarHBondContact O-N 3.46Å; W369-I372 HydrophobicContact CE3-CG2 4.32Å; W369-I372 WeakPolarHBondContact O-CG2 3.3Å; W369-I372 PolarHBondContact O-N 3.46Å; I372-T374 VanDerWaalsContact C-N 3.32Å; I372-T374 PolarHBondContact O-N 3.38Å; I372-C376 WeakPolarHBondContact O-CB 3.41Å; I372-C376 PolarHBondContact O-N 3.4Å; I372-C376 PolarHBondContact O-SG 2.96Å |
| 373 | V | 97.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 178.6 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | W369 W370 T377 I378 G379 Y380 | W369-V373 HydrophobicContact CD2-CG2 4.12Å; W369-V373 HydrophobicContact CE3-CG2 4.3Å; W369-V373 HydrophobicContact CH2-CG2 4.07Å; W369-V373 HydrophobicContact CZ2-CG2 3.86Å; W369-V373 HydrophobicContact CZ3-CG2 4.27Å; W369-V373 WeakPolarHBondContact O-CB 3.26Å; W369-V373 WeakPolarHBondContact O-CG2 3.44Å; W369-V373 PolarHBondContact O-N 3.28Å; W369-V373 VanDerWaalsContact O-N 3.1Å; W370-V373 PolarHBondContact O-N 2.72Å; V373-T377 PolarHBondContact O-N 2.92Å; V373-I378 HydrophobicContact CG1-CB 4.08Å; V373-I378 HydrophobicContact CG1-CG2 4.29Å; V373-I378 WeakPolarHBondContact O-CB 3.16Å; V373-I378 PolarHBondContact O-N 2.72Å; V373-G379 VanDerWaalsContact CG1-N 3.3Å; V373-G379 PolarHBondContact O-N 2.88Å; V373-G379 VanDerWaalsContact O-N 3.17Å; V373-Y380 HydrophobicContact CB-CD2 4.47Å; V373-Y380 HydrophobicContact CG1-CD2 3.74Å; V373-Y380 HydrophobicContact CG1-CE2 4.41Å; V373-Y380 HydrophobicContact CG1-CG 4.3Å; V373-Y380 HydrophobicContact CG2-CD2 3.79Å; V373-Y380 HydrophobicContact CG2-CE2 3.96Å |
| 374 | T | 96.5 | Very high | 96.1 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 15% | 0.153 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -76.4 | -47.1 | 178.8 | -56.9 | 0 | 0 | 0 | 0 | 112 | W370 A371 I372 C376 T377 C397 A398 | W370-T374 HydrophobicContact CZ2-CG2 4.43Å; W370-T374 PolarHBondContact NE1-OG1 2.91Å; W370-T374 VanDerWaalsContact O-CB 3.28Å; W370-T374 WeakPolarHBondContact O-CB 3.33Å; W370-T374 PolarHBondContact O-N 2.63Å; W370-T374 PolarHBondContact O-OG1 3.48Å; A371-T374 PolarHBondContact O-N 3.29Å; I372-T374 VanDerWaalsContact C-N 3.32Å; I372-T374 PolarHBondContact O-N 3.38Å; T374-C376 VanDerWaalsContact C-N 3.33Å; T374-C376 PolarHBondContact O-N 3.26Å; T374-T377 PolarHBondContact O-N 3.45Å; T374-C397 HydrophobicContact CG2-CB 4.35Å; T374-A398 HydrophobicContact CG2-CB 4.26Å |
| 375 | M | 95.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.02 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -36.9 | 178.5 | -75 | -169.7 | 70.4 | 0 | 0 | 112.2 | I340 Y343 A371 T377 L405 | I340-M375 HydrophobicContact CG1-SD 3.95Å; I340-M375 PolarHBondContact N-SD 3.4Å; Y343-M375 HydrophobicContact CD2-SD 4.22Å; A371-M375 WeakPolarHBondContact O-CB 3.42Å; A371-M375 VanDerWaalsContact O-CG 3.28Å; A371-M375 WeakPolarHBondContact O-CG 3.23Å; A371-M375 PolarHBondContact O-N 3.48Å; M375-T377 PolarHBondContact O-N 3.34Å; M375-L405 WeakPolarHBondContact O-CD1 3.41Å |
| 376 | C | 94.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 28% | 0.284 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 5.9 | 172.8 | -67.4 | 0 | 0 | 0 | 0 | 113.7 | I372 T374 I378 | I372-C376 WeakPolarHBondContact O-CB 3.41Å; I372-C376 PolarHBondContact O-N 3.4Å; I372-C376 PolarHBondContact O-SG 2.96Å; T374-C376 VanDerWaalsContact C-N 3.33Å; T374-C376 PolarHBondContact O-N 3.26Å; C376-I378 HydrophobicContact CB-CD1 3.98Å; C376-I378 HydrophobicContact CB-CG1 4.03Å; C376-I378 PolarHBondContact O-N 3.06Å; C376-I378 VanDerWaalsContact O-N 3.16Å |
| 377 | T | 94.8 | Very high | 95.9 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 24 | 178 | 65.9 | 0 | 0 | 0 | 0 | 114.3 | V373 T374 M375 V402 | V373-T377 PolarHBondContact O-N 2.92Å; T374-T377 PolarHBondContact O-N 3.45Å; M375-T377 PolarHBondContact O-N 3.34Å; T377-V402 HydrophobicContact CG2-CG2 3.66Å |
| 378 | I | 95.9 | Very high | 95.8 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 47% | 0.467 | 30% | 0.298 | S | S | . | . | trans | -82.8 | -54.6 | -179.1 | -60.5 | 171.9 | 0 | 0 | 0 | 110.4 | V373 C376 Y380 | V373-I378 HydrophobicContact CG1-CB 4.08Å; V373-I378 HydrophobicContact CG1-CG2 4.29Å; V373-I378 WeakPolarHBondContact O-CB 3.16Å; V373-I378 PolarHBondContact O-N 2.72Å; C376-I378 HydrophobicContact CB-CD1 3.98Å; C376-I378 HydrophobicContact CB-CG1 4.03Å; C376-I378 PolarHBondContact O-N 3.06Å; C376-I378 VanDerWaalsContact O-N 3.16Å; I378-Y380 HydrophobicContact CG2-CD1 4.02Å; I378-Y380 HydrophobicContact CG2-CD2 4.11Å; I378-Y380 HydrophobicContact CG2-CE1 3.67Å; I378-Y380 HydrophobicContact CG2-CE2 3.78Å; I378-Y380 HydrophobicContact CG2-CG 4.22Å | ||
| 379 | G | 94.8 | Very high | 95.6 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 54% | 0.536 | 31% | 0.305 | S | S | . | . | trans | 57.9 | 63 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | V373 G381 | V373-G379 VanDerWaalsContact CG1-N 3.3Å; V373-G379 PolarHBondContact O-N 2.88Å; V373-G379 VanDerWaalsContact O-N 3.17Å; G379-G381 PolarHBondContact O-N 2.85Å | ||
| 380 | Y | 95.1 | Very high | 95.6 | Very high | 153 Ų | 153 | 48.2 Ų | 48.2 | 60% | 0.6 | 29% | 0.286 | S | S | * | . | trans | -60.9 | -29.9 | 178.3 | -68.2 | -57.9 | 0 | 0 | 0 | 114.2 | W369 V373 I378 D382 | W369-Y380 HydrophobicContact CH2-CD2 4.35Å; W369-Y380 AromaticContact CH2-CE2 3.97Å; W369-Y380 HydrophobicContact CH2-CE2 3.97Å; W369-Y380 AromaticContact CZ2-CD2 3.87Å; W369-Y380 HydrophobicContact CZ2-CD2 3.87Å; W369-Y380 AromaticContact CZ2-CE2 3.97Å; W369-Y380 HydrophobicContact CZ2-CE2 3.97Å; V373-Y380 HydrophobicContact CB-CD2 4.47Å; V373-Y380 HydrophobicContact CG1-CD2 3.74Å; V373-Y380 HydrophobicContact CG1-CE2 4.41Å; V373-Y380 HydrophobicContact CG1-CG 4.3Å; V373-Y380 HydrophobicContact CG2-CD2 3.79Å; V373-Y380 HydrophobicContact CG2-CE2 3.96Å; I378-Y380 HydrophobicContact CG2-CD1 4.02Å; I378-Y380 HydrophobicContact CG2-CD2 4.11Å; I378-Y380 HydrophobicContact CG2-CE1 3.67Å; I378-Y380 HydrophobicContact CG2-CE2 3.78Å; I378-Y380 HydrophobicContact CG2-CG 4.22Å; Y380-D382 VanDerWaalsContact C-N 3.32Å | ||
| 381 | G | 93.5 | Very high | 95.5 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 54% | 0.536 | 31% | 0.307 | S | S | . | . | trans | 78.3 | 14 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G379 M383 | G379-G381 PolarHBondContact O-N 2.85Å; G381-M383 VanDerWaalsContact C-N 3.29Å | ||
| 382 | D | 95.6 | Very high | 95.5 | Very high | 85 Ų | 85 | 57.6 Ų | 57.6 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -69.9 | -25.8 | 171.7 | 59.2 | -41.4 | 0 | 0 | 0 | 113 | W369 Y380 | W369-D382 PolarHBondContact NE1-OD2 3.12Å; Y380-D382 VanDerWaalsContact C-N 3.32Å |
| 383 | M | 94 | Very high | 95.5 | Very high | 15 Ų | 15 | 55.2 Ų | 55.2 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -138.8 | 134.8 | 174.6 | -59.5 | 175.7 | 72 | 0 | 0 | 109.4 | D360 F361 L366 G381 | D360-M383 HydrophobicContact CB-CB 4.16Å; D360-M383 HydrophobicContact CB-CE 4.28Å; D360-M383 HydrophobicContact CB-CG 4.25Å; D360-M383 WeakPolarHBondContact O-CE 3.37Å; F361-M383 HydrophobicContact CD1-CE 3.82Å; F361-M383 HydrophobicContact CE1-CE 4.04Å; F361-M383 HydrophobicContact CG-CE 4.25Å; F361-M383 HydrophobicContact CZ-CB 4.45Å; L366-M383 HydrophobicContact CB-CE 3.63Å; L366-M383 HydrophobicContact CB-SD 4.3Å; G381-M383 VanDerWaalsContact C-N 3.29Å |
| 384 | V | 95.4 | Very high | 95.5 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 38% | 0.382 | 33% | 0.325 | S | S | . | . | trans | -143.7 | 145.6 | -179.2 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | D360 F361 K386 | D360-V384 PolarHBondContact OD2-N 3.16Å; F361-V384 WeakPolarHBondContact CE2-O 3.49Å; V384-K386 HydrophobicContact CG2-CG 4.42Å; V384-K386 PolarHBondContact O-N 3.38Å | ||
| 385 | P | 95.7 | Very high | 95.5 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | trans | -62.5 | 129.8 | 170.3 | 24.4 | -32 | 0 | 0 | 0 | 110.9 | I347 E351 W370 G390 M391 | I347-P385 HydrophobicContact CD1-CB 3.79Å; E351-P385 WeakPolarHBondContact OE1-CA 3.33Å; W370-P385 HydrophobicContact CZ2-CG 4.42Å; P385-G390 WeakPolarHBondContact CB-O 3.05Å; P385-M391 HydrophobicContact CB-CG 4.4Å | ||
| 386 | K | 94.3 | Very high | 95.6 | Very high | 67 Ų | 67 | 62.2 Ų | 62.2 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | trans | -112.5 | -21.9 | 178.9 | -63.1 | 174.2 | -166.4 | 170.3 | 0 | 112 | E351 E358 D360 V384 | E351-K386 PolarHBondContact OE1-N 2.84Å; E351-K386 PolarHBondContact OE2-N 2.68Å; E358-K386 HydrophobicContact CB-CD 4.16Å; E358-K386 WeakPolarHBondContact O-CD 3.23Å; E358-K386 WeakPolarHBondContact O-CE 3.3Å; E358-K386 PolarHBondContact O-NZ 3.4Å; D360-K386 VanDerWaalsContact CG-NZ 3.31Å; D360-K386 IonicContact OD1-NZ 2.72Å; D360-K386 PolarHBondContact OD1-NZ 3.02Å; D360-K386 WeakPolarHBondContact OD2-CE 3.48Å; D360-K386 IonicContact OD2-NZ 2.65Å; D360-K386 PolarHBondContact OD2-NZ 3.16Å; D360-K386 VanDerWaalsContact OD2-NZ 3.16Å; V384-K386 HydrophobicContact CG2-CG 4.42Å; V384-K386 PolarHBondContact O-N 3.38Å | ||
| 387 | T | 95.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -80.6 | 153.8 | 175.7 | 63.5 | 0 | 0 | 0 | 0 | 112 | E351 E354 N356 V389 G390 M391 | E351-T387 WeakPolarHBondContact OE1-CB 3.44Å; E351-T387 PolarHBondContact OE1-N 2.97Å; E351-T387 PolarHBondContact OE1-OG1 3.06Å; E351-T387 WeakPolarHBondContact OE2-CG2 3.3Å; E354-T387 HydrophobicContact CB-CG2 3.8Å; E354-T387 HydrophobicContact CG-CG2 4.41Å; E354-T387 WeakPolarHBondContact OE2-CB 3.42Å; N356-T387 HydrophobicContact CB-CG2 4.15Å; T387-V389 VanDerWaalsContact C-N 3.28Å; T387-V389 PolarHBondContact O-N 2.75Å; T387-G390 PolarHBondContact O-N 3.22Å; T387-G390 WeakPolarHBondContact OG1-CA 3.17Å; T387-G390 PolarHBondContact OG1-N 3.29Å; T387-M391 WeakPolarHBondContact O-CG 3.42Å; T387-M391 PolarHBondContact O-N 3.45Å |
| 388 | S | 94.7 | Very high | 95.8 | Very high | 82 Ų | 82 | 58 Ų | 58 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.2 | -40.2 | 179.5 | -60.4 | 0 | 0 | 0 | 0 | 112 | I392 | S388-I392 WeakPolarHBondContact O-CG1 3.35Å; S388-I392 PolarHBondContact O-N 2.85Å |
| 389 | V | 95.5 | Very high | 95.9 | Very high | 72 Ų | 72 | 59 Ų | 59 | 44% | 0.436 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.2 | -42.6 | 177.1 | -179 | 0 | 0 | 0 | 0 | 110.7 | A350 T387 M391 I392 I393 | A350-V389 HydrophobicContact CB-CB 4.43Å; A350-V389 HydrophobicContact CB-CG1 3.94Å; T387-V389 VanDerWaalsContact C-N 3.28Å; T387-V389 PolarHBondContact O-N 2.75Å; V389-M391 VanDerWaalsContact C-N 3.3Å; V389-M391 PolarHBondContact O-N 2.96Å; V389-I392 PolarHBondContact O-N 3.17Å; V389-I393 HydrophobicContact CG1-CD1 4.03Å; V389-I393 WeakPolarHBondContact O-CG1 3.21Å; V389-I393 PolarHBondContact O-N 3.41Å |
| 390 | G | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P385 T387 I393 G394 | P385-G390 WeakPolarHBondContact CB-O 3.05Å; T387-G390 PolarHBondContact O-N 3.22Å; T387-G390 WeakPolarHBondContact OG1-CA 3.17Å; T387-G390 PolarHBondContact OG1-N 3.29Å; G390-I393 PolarHBondContact O-N 2.93Å; G390-G394 PolarHBondContact O-N 2.95Å |
| 391 | M | 96.5 | Very high | 96 | Very high | 102 Ų | 102 | 51.3 Ų | 51.3 | 50% | 0.502 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.8 | -71.1 | -180 | -175.7 | 0 | 0 | 112.1 | P385 T387 V389 I393 G394 C395 | P385-M391 HydrophobicContact CB-CG 4.4Å; T387-M391 WeakPolarHBondContact O-CG 3.42Å; T387-M391 PolarHBondContact O-N 3.45Å; V389-M391 VanDerWaalsContact C-N 3.3Å; V389-M391 PolarHBondContact O-N 2.96Å; M391-I393 VanDerWaalsContact C-N 3.34Å; M391-I393 PolarHBondContact O-N 3.22Å; M391-G394 PolarHBondContact O-N 3.05Å; M391-C395 PolarHBondContact O-N 3.06Å; M391-C395 PolarHBondContact O-SG 3.3Å |
| 392 | I | 97.4 | Very high | 96.1 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 55% | 0.554 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.8 | -45.4 | 174.9 | -66.2 | 167.8 | 0 | 0 | 0 | 110.3 | S388 V389 G394 C395 L396 | S388-I392 WeakPolarHBondContact O-CG1 3.35Å; S388-I392 PolarHBondContact O-N 2.85Å; V389-I392 PolarHBondContact O-N 3.17Å; I392-G394 VanDerWaalsContact C-N 3.32Å; I392-G394 PolarHBondContact O-N 3.14Å; I392-C395 WeakPolarHBondContact O-CB 3.33Å; I392-C395 PolarHBondContact O-N 3.42Å; I392-L396 HydrophobicContact CG2-CD1 4.31Å; I392-L396 WeakPolarHBondContact O-CG 3.43Å; I392-L396 PolarHBondContact O-N 3Å |
| 393 | I | 97.4 | Very high | 96 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 177.1 | -65.6 | 170.1 | 0 | 0 | 0 | 110.9 | Y343 L346 A350 V389 G390 M391 L396 C397 | Y343-I393 HydrophobicContact CD1-CG2 4Å; L346-I393 HydrophobicContact CB-CD1 4.28Å; L346-I393 HydrophobicContact CB-CG2 4.08Å; A350-I393 HydrophobicContact CB-CD1 3.38Å; V389-I393 HydrophobicContact CG1-CD1 4.03Å; V389-I393 WeakPolarHBondContact O-CG1 3.21Å; V389-I393 PolarHBondContact O-N 3.41Å; G390-I393 PolarHBondContact O-N 2.93Å; M391-I393 VanDerWaalsContact C-N 3.34Å; M391-I393 PolarHBondContact O-N 3.22Å; I393-L396 PolarHBondContact O-N 2.67Å; I393-C397 VanDerWaalsContact O-CB 3.25Å; I393-C397 WeakPolarHBondContact O-CB 3.41Å; I393-C397 PolarHBondContact O-N 2.9Å |
| 394 | G | 96.9 | Very high | 96 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G390 M391 I392 C397 A398 | G390-G394 PolarHBondContact O-N 2.95Å; M391-G394 PolarHBondContact O-N 3.05Å; I392-G394 VanDerWaalsContact C-N 3.32Å; I392-G394 PolarHBondContact O-N 3.14Å; G394-C397 PolarHBondContact O-N 3.3Å; G394-A398 WeakPolarHBondContact O-CB 3.4Å; G394-A398 PolarHBondContact O-N 3.41Å |
| 395 | C | 96.7 | Very high | 95.8 | Very high | 81 Ų | 81 | 53.3 Ų | 53.3 | 55% | 0.547 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 175 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | M391 I392 A398 L399 | M391-C395 PolarHBondContact O-N 3.06Å; M391-C395 PolarHBondContact O-SG 3.3Å; I392-C395 WeakPolarHBondContact O-CB 3.33Å; I392-C395 PolarHBondContact O-N 3.42Å; C395-A398 PolarHBondContact O-N 3.39Å; C395-L399 WeakPolarHBondContact O-CB 3.45Å; C395-L399 WeakPolarHBondContact O-CG 3.2Å; C395-L399 PolarHBondContact O-N 2.81Å |
| 396 | L | 97.4 | Very high | 95.6 | Very high | 91 Ų | 91 | 54.7 Ų | 54.7 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 177.1 | -66.4 | 174.5 | 0 | 0 | 0 | 111.8 | Y343 I392 I393 L399 T400 | Y343-L396 HydrophobicContact CE1-CB 4.27Å; Y343-L396 PolarHBondContact OH-O 3.38Å; I392-L396 HydrophobicContact CG2-CD1 4.31Å; I392-L396 WeakPolarHBondContact O-CG 3.43Å; I392-L396 PolarHBondContact O-N 3Å; I393-L396 PolarHBondContact O-N 2.67Å; L396-L399 PolarHBondContact O-N 3.38Å; L396-T400 WeakPolarHBondContact O-CB 3.25Å; L396-T400 WeakPolarHBondContact O-CG2 3.43Å; L396-T400 PolarHBondContact O-N 3.32Å; L396-T400 PolarHBondContact O-OG1 2.7Å |
| 397 | C | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60 | -49.4 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | Y343 W370 T374 I393 G394 L399 T400 G401 | Y343-C397 HydrophobicContact CD1-CB 3.66Å; Y343-C397 HydrophobicContact CD2-CB 4.11Å; Y343-C397 HydrophobicContact CE1-CB 3.99Å; Y343-C397 HydrophobicContact CE2-CB 4.41Å; Y343-C397 HydrophobicContact CG-CB 3.73Å; W370-C397 HydrophobicContact CH2-CB 3.97Å; W370-C397 HydrophobicContact CZ3-CB 4.42Å; T374-C397 HydrophobicContact CG2-CB 4.35Å; I393-C397 VanDerWaalsContact O-CB 3.25Å; I393-C397 WeakPolarHBondContact O-CB 3.41Å; I393-C397 PolarHBondContact O-N 2.9Å; G394-C397 PolarHBondContact O-N 3.3Å; C397-L399 PolarHBondContact O-N 3.39Å; C397-T400 PolarHBondContact O-N 3.16Å; C397-T400 PolarHBondContact O-OG1 2.99Å; C397-T400 VanDerWaalsContact O-OG1 3.07Å; C397-G401 PolarHBondContact O-N 3.12Å |
| 398 | A | 96.5 | Very high | 95 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T374 G394 C395 G401 V402 | T374-A398 HydrophobicContact CG2-CB 4.26Å; G394-A398 WeakPolarHBondContact O-CB 3.4Å; G394-A398 PolarHBondContact O-N 3.41Å; C395-A398 PolarHBondContact O-N 3.39Å; A398-G401 PolarHBondContact O-N 3.37Å; A398-V402 WeakPolarHBondContact O-CG2 3.24Å; A398-V402 PolarHBondContact O-N 3.43Å |
| 399 | L | 96.2 | Very high | 94.8 | Very high | 113 Ų | 113 | 59.3 Ų | 59.3 | 59% | 0.592 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 178.4 | -73.2 | 173 | 0 | 0 | 0 | 112 | C395 L396 C397 L403 | C395-L399 WeakPolarHBondContact O-CB 3.45Å; C395-L399 WeakPolarHBondContact O-CG 3.2Å; C395-L399 PolarHBondContact O-N 2.81Å; L396-L399 PolarHBondContact O-N 3.38Å; C397-L399 PolarHBondContact O-N 3.39Å; L399-L403 VanDerWaalsContact O-CG 3.29Å; L399-L403 WeakPolarHBondContact O-CG 3.28Å; L399-L403 PolarHBondContact O-N 2.85Å |
| 400 | T | 95.9 | Very high | 94.5 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 27% | 0.27 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.7 | -35 | 178.9 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | Y343 L396 C397 L403 T404 | Y343-T400 WeakPolarHBondContact CE2-OG1 3.21Å; Y343-T400 VanDerWaalsContact CZ-OG1 3.23Å; Y343-T400 WeakPolarHBondContact OH-CG2 3.18Å; Y343-T400 PolarHBondContact OH-OG1 3.33Å; L396-T400 WeakPolarHBondContact O-CB 3.25Å; L396-T400 WeakPolarHBondContact O-CG2 3.43Å; L396-T400 PolarHBondContact O-N 3.32Å; L396-T400 PolarHBondContact O-OG1 2.7Å; C397-T400 PolarHBondContact O-N 3.16Å; C397-T400 PolarHBondContact O-OG1 2.99Å; C397-T400 VanDerWaalsContact O-OG1 3.07Å; T400-L403 PolarHBondContact O-N 3.5Å; T400-T404 VanDerWaalsContact O-CB 3.27Å; T400-T404 WeakPolarHBondContact O-CB 3.19Å; T400-T404 PolarHBondContact O-N 3.3Å; T400-T404 PolarHBondContact O-OG1 2.82Å |
| 401 | G | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -50.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C397 A398 L403 T404 L405 | C397-G401 PolarHBondContact O-N 3.12Å; A398-G401 PolarHBondContact O-N 3.37Å; G401-L403 PolarHBondContact O-N 3.36Å; G401-T404 PolarHBondContact O-N 2.95Å; G401-L405 PolarHBondContact O-N 3.4Å |
| 402 | V | 95.4 | Very high | 93.6 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 47% | 0.473 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -47 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 111 | T377 A398 T404 L405 A406 | T377-V402 HydrophobicContact CG2-CG2 3.66Å; A398-V402 WeakPolarHBondContact O-CG2 3.24Å; A398-V402 PolarHBondContact O-N 3.43Å; V402-T404 PolarHBondContact O-N 3.46Å; V402-L405 PolarHBondContact O-N 3.26Å; V402-A406 WeakPolarHBondContact O-CB 3.27Å; V402-A406 PolarHBondContact O-N 3.2Å |
| 403 | L | 93.5 | Very high | 93.3 | Very high | 106 Ų | 106 | 58 Ų | 58 | 56% | 0.555 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 178.3 | -71.3 | 170.1 | 0 | 0 | 0 | 112.4 | L399 T400 G401 L405 L407 | L399-L403 VanDerWaalsContact O-CG 3.29Å; L399-L403 WeakPolarHBondContact O-CG 3.28Å; L399-L403 PolarHBondContact O-N 2.85Å; T400-L403 PolarHBondContact O-N 3.5Å; G401-L403 PolarHBondContact O-N 3.36Å; L403-L405 VanDerWaalsContact C-N 3.34Å; L403-L405 PolarHBondContact O-N 2.96Å; L403-L407 VanDerWaalsContact O-CG 3.31Å; L403-L407 WeakPolarHBondContact O-CG 3.46Å; L403-L407 PolarHBondContact O-N 3.46Å |
| 404 | T | 93.9 | Very high | 92.9 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 17% | 0.172 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.7 | -38.4 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | L332 V335 V336 T400 G401 V402 P408 | L332-T404 HydrophobicContact CD1-CG2 4.17Å; L332-T404 WeakPolarHBondContact CD1-O 3.32Å; V335-T404 HydrophobicContact CB-CG2 4.21Å; V335-T404 HydrophobicContact CG1-CG2 3.59Å; V336-T404 HydrophobicContact CG2-CG2 3.73Å; T400-T404 VanDerWaalsContact O-CB 3.27Å; T400-T404 WeakPolarHBondContact O-CB 3.19Å; T400-T404 PolarHBondContact O-N 3.3Å; T400-T404 PolarHBondContact O-OG1 2.82Å; G401-T404 PolarHBondContact O-N 2.95Å; V402-T404 PolarHBondContact O-N 3.46Å; T404-P408 WeakPolarHBondContact O-CD 3.37Å |
| 405 | L | 92.8 | Very high | 92.4 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -82.9 | -37.1 | 178.5 | -68.2 | 171.5 | 0 | 0 | 0 | 112.8 | L332 V336 M375 G401 V402 L403 L407 P408 M409 | L332-L405 HydrophobicContact CD1-CD2 4.05Å; V336-L405 HydrophobicContact CG2-CD2 4.34Å; M375-L405 WeakPolarHBondContact O-CD1 3.41Å; G401-L405 PolarHBondContact O-N 3.4Å; V402-L405 PolarHBondContact O-N 3.26Å; L403-L405 VanDerWaalsContact C-N 3.34Å; L403-L405 PolarHBondContact O-N 2.96Å; L405-L407 VanDerWaalsContact C-N 3.33Å; L405-L407 PolarHBondContact O-N 3.45Å; L405-P408 WeakPolarHBondContact O-CD 3.45Å; L405-M409 WeakPolarHBondContact O-CG 3.5Å |
| 406 | A | 91.9 | Very high | 91.9 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 45% | 0.446 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.6 | -29.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | V402 P410 | V402-A406 WeakPolarHBondContact O-CB 3.27Å; V402-A406 PolarHBondContact O-N 3.2Å; A406-P410 WeakPolarHBondContact O-CD 3.46Å |
| 407 | L | 88.5 | Confident | 91.5 | Very high | 129 Ų | 129 | 63.1 Ų | 63.1 | 68% | 0.675 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -45.6 | -176.4 | -67.6 | 172.5 | 0 | 0 | 0 | 114 | L403 L405 | L403-L407 VanDerWaalsContact O-CG 3.31Å; L403-L407 WeakPolarHBondContact O-CG 3.46Å; L403-L407 PolarHBondContact O-N 3.46Å; L405-L407 VanDerWaalsContact C-N 3.33Å; L405-L407 PolarHBondContact O-N 3.45Å |
| 408 | P | 87.5 | Confident | 91 | Very high | 29 Ų | 29 | 66 Ų | 66 | 19% | 0.188 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -79.2 | -25.8 | -178.6 | -21.5 | 38.2 | 0 | 0 | 0 | 113.9 | L332 T404 L405 V411 I412 | L332-P408 HydrophobicContact CB-CB 4.46Å; L332-P408 HydrophobicContact CB-CG 4.39Å; L332-P408 HydrophobicContact CD1-CG 3.97Å; T404-P408 WeakPolarHBondContact O-CD 3.37Å; L405-P408 WeakPolarHBondContact O-CD 3.45Å; P408-V411 WeakPolarHBondContact O-CB 3.31Å; P408-V411 PolarHBondContact O-N 3.46Å; P408-V411 VanDerWaalsContact O-N 3.11Å; P408-I412 HydrophobicContact CB-CD1 4.44Å; P408-I412 WeakPolarHBondContact O-CG1 3.49Å; P408-I412 PolarHBondContact O-N 3.28Å; P408-I412 VanDerWaalsContact O-N 3.07Å |
| 409 | M | 90.2 | Very high | 90.5 | Very high | 93 Ų | 93 | 64.6 Ų | 64.6 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.6 | -46.3 | -175.7 | -76.5 | -61.4 | -60.7 | 0 | 0 | 113.5 | L405 V411 I412 V413 | L405-M409 WeakPolarHBondContact O-CG 3.5Å; M409-V411 VanDerWaalsContact C-N 3.3Å; M409-V411 PolarHBondContact O-N 2.92Å; M409-I412 PolarHBondContact O-N 2.91Å; M409-I412 HydrophobicContact SD-CD1 4.43Å; M409-V413 WeakPolarHBondContact O-CB 3.5Å; M409-V413 VanDerWaalsContact O-CG2 3.27Å; M409-V413 WeakPolarHBondContact O-CG2 3.27Å; M409-V413 PolarHBondContact O-N 3.43Å |
| 410 | P | 90.6 | Very high | 90.1 | Very high | 81 Ų | 81 | 65.3 Ų | 65.3 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.9 | -36.4 | 174.3 | -27.3 | 35.5 | 0 | 0 | 0 | 114.2 | A406 V413 S414 | A406-P410 WeakPolarHBondContact O-CD 3.46Å; P410-V413 PolarHBondContact O-N 3.29Å; P410-S414 WeakPolarHBondContact O-CB 3.24Å; P410-S414 PolarHBondContact O-N 2.91Å; P410-S414 PolarHBondContact O-OG 2.9Å |
| 411 | V | 87.5 | Confident | 89.8 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | E328 P408 M409 S414 N415 | E328-V411 HydrophobicContact CG-CG1 4.46Å; P408-V411 WeakPolarHBondContact O-CB 3.31Å; P408-V411 PolarHBondContact O-N 3.46Å; P408-V411 VanDerWaalsContact O-N 3.11Å; M409-V411 VanDerWaalsContact C-N 3.3Å; M409-V411 PolarHBondContact O-N 2.92Å; V411-S414 WeakPolarHBondContact CA-OG 3.26Å; V411-S414 PolarHBondContact O-N 3.26Å; V411-S414 PolarHBondContact O-OG 3.46Å; V411-N415 PolarHBondContact O-N 2.8Å; V411-N415 VanDerWaalsContact O-N 3.11Å |
| 412 | I | 86.7 | Confident | 89.3 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 16% | 0.159 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 176.3 | -63.2 | 159.8 | 0 | 0 | 0 | 110.2 | L329 P408 M409 N415 F416 | L329-I412 HydrophobicContact CD2-CD1 3.53Å; L329-I412 HydrophobicContact CD2-CG1 4.29Å; L329-I412 HydrophobicContact CG-CD1 4.35Å; P408-I412 HydrophobicContact CB-CD1 4.44Å; P408-I412 WeakPolarHBondContact O-CG1 3.49Å; P408-I412 PolarHBondContact O-N 3.28Å; P408-I412 VanDerWaalsContact O-N 3.07Å; M409-I412 PolarHBondContact O-N 2.91Å; M409-I412 HydrophobicContact SD-CD1 4.43Å; I412-N415 PolarHBondContact O-N 2.92Å; I412-F416 PolarHBondContact O-N 2.99Å |
| 413 | V | 89.9 | Confident | 88.8 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | M409 P410 N415 F416 E417 | M409-V413 WeakPolarHBondContact O-CB 3.5Å; M409-V413 VanDerWaalsContact O-CG2 3.27Å; M409-V413 WeakPolarHBondContact O-CG2 3.27Å; M409-V413 PolarHBondContact O-N 3.43Å; P410-V413 PolarHBondContact O-N 3.29Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 3.2Å; V413-F416 PolarHBondContact O-N 2.87Å; V413-E417 WeakPolarHBondContact O-CB 3.19Å; V413-E417 PolarHBondContact O-N 3.25Å |
| 414 | S | 88.8 | Confident | 88.5 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 178.1 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | P410 V411 M418 | P410-S414 WeakPolarHBondContact O-CB 3.24Å; P410-S414 PolarHBondContact O-N 2.91Å; P410-S414 PolarHBondContact O-OG 2.9Å; V411-S414 WeakPolarHBondContact CA-OG 3.26Å; V411-S414 PolarHBondContact O-N 3.26Å; V411-S414 PolarHBondContact O-OG 3.46Å; S414-M418 WeakPolarHBondContact O-CB 3.24Å; S414-M418 PolarHBondContact O-N 3.17Å |
| 415 | N | 85.7 | Confident | 88.1 | Confident | 44 Ų | 44 | 64.8 Ų | 64.8 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 174.2 | -75.7 | -11.3 | 0 | 0 | 0 | 111.1 | S325 V411 I412 V413 M418 F419 | S325-N415 PolarHBondContact OG-ND2 3.43Å; V411-N415 PolarHBondContact O-N 2.8Å; V411-N415 VanDerWaalsContact O-N 3.11Å; I412-N415 PolarHBondContact O-N 2.92Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 3.2Å; N415-M418 WeakPolarHBondContact O-CB 3.39Å; N415-M418 PolarHBondContact O-N 3.4Å; N415-F419 VanDerWaalsContact O-CD2 3.28Å; N415-F419 WeakPolarHBondContact O-CD2 3.43Å; N415-F419 PolarHBondContact O-N 2.98Å |
| 416 | F | 86.7 | Confident | 87.5 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.9 | -176.2 | -93.9 | 0 | 0 | 0 | 112.4 | L318 T321 I412 V413 M418 F419 Y420 | L318-F416 HydrophobicContact CD1-CD2 4.21Å; L318-F416 HydrophobicContact CD1-CE2 3.81Å; T321-F416 HydrophobicContact CG2-CB 3.98Å; T321-F416 HydrophobicContact CG2-CD2 3.94Å; T321-F416 HydrophobicContact CG2-CG 4.45Å; I412-F416 PolarHBondContact O-N 2.99Å; V413-F416 PolarHBondContact O-N 2.87Å; F416-M418 VanDerWaalsContact C-N 3.29Å; F416-M418 PolarHBondContact O-N 3.27Å; F416-F419 PolarHBondContact O-N 2.95Å; F416-Y420 VanDerWaalsContact O-CB 3.26Å; F416-Y420 WeakPolarHBondContact O-CB 3.44Å; F416-Y420 PolarHBondContact O-N 3.17Å |
| 417 | E | 89.8 | Confident | 86.9 | Confident | 128 Ų | 128 | 67 Ų | 67 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 175.6 | -173.8 | 175.6 | -171.1 | 0 | 0 | 111.7 | V413 Y420 S421 | V413-E417 WeakPolarHBondContact O-CB 3.19Å; V413-E417 PolarHBondContact O-N 3.25Å; E417-Y420 PolarHBondContact O-N 3.36Å; E417-S421 WeakPolarHBondContact O-CB 3.43Å; E417-S421 PolarHBondContact O-N 3.03Å; E417-S421 PolarHBondContact O-OG 3.48Å |
| 418 | M | 87.3 | Confident | 86.6 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 30% | 0.3 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 175 | 177.5 | -103.1 | -74.7 | 0 | 0 | 111.8 | T111 S414 N415 F416 Y420 S421 H422 | T111-M418 HydrophobicContact CG2-SD 3.53Å; T111-M418 VanDerWaalsContact CG2-SD 3.53Å; T111-M418 PolarHBondContact OG1-SD 3.27Å; S414-M418 WeakPolarHBondContact O-CB 3.24Å; S414-M418 PolarHBondContact O-N 3.17Å; N415-M418 WeakPolarHBondContact O-CB 3.39Å; N415-M418 PolarHBondContact O-N 3.4Å; F416-M418 VanDerWaalsContact C-N 3.29Å; F416-M418 PolarHBondContact O-N 3.27Å; M418-Y420 PolarHBondContact O-N 3.5Å; M418-S421 PolarHBondContact O-OG 3.37Å; M418-H422 PolarHBondContact O-CD2 3.26Å; M418-H422 PolarHBondContact O-N 3.15Å |
| 419 | F | 86.1 | Confident | 86.3 | Confident | 12 Ų | 12 | 72.6 Ų | 72.6 | 5% | 0.053 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.4 | -82.9 | -78.3 | 0 | 0 | 0 | 112.6 | T111 V114 I115 I317 T321 A324 N415 F416 A423 | T111-F419 HydrophobicContact CG2-CD1 3.73Å; T111-F419 HydrophobicContact CG2-CE1 3.8Å; T111-F419 HydrophobicContact CG2-CG 4.3Å; T111-F419 HydrophobicContact CG2-CZ 4.43Å; V114-F419 HydrophobicContact CB-CE1 4.11Å; V114-F419 HydrophobicContact CG1-CE1 3.77Å; I115-F419 HydrophobicContact CD1-CD1 4.41Å; I115-F419 WeakPolarHBondContact CD1-O 3.34Å; I115-F419 HydrophobicContact CG1-CD1 4.16Å; I317-F419 HydrophobicContact CG2-CB 4.4Å; T321-F419 HydrophobicContact CG2-CD2 4.1Å; A324-F419 HydrophobicContact CB-CE2 3.92Å; A324-F419 HydrophobicContact CB-CZ 4.03Å; N415-F419 VanDerWaalsContact O-CD2 3.28Å; N415-F419 WeakPolarHBondContact O-CD2 3.43Å; N415-F419 PolarHBondContact O-N 2.98Å; F416-F419 PolarHBondContact O-N 2.95Å; F419-A423 WeakPolarHBondContact O-CB 3.35Å; F419-A423 PolarHBondContact O-N 3.15Å |
| 420 | Y | 86.8 | Confident | 85.4 | Confident | 127 Ų | 127 | 73.6 Ų | 73.6 | 50% | 0.498 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.1 | -45.7 | -177.5 | -174.9 | -96.3 | 0 | 0 | 0 | 112.4 | F416 E417 M418 H422 A423 Q424 | F416-Y420 VanDerWaalsContact O-CB 3.26Å; F416-Y420 WeakPolarHBondContact O-CB 3.44Å; F416-Y420 PolarHBondContact O-N 3.17Å; E417-Y420 PolarHBondContact O-N 3.36Å; M418-Y420 PolarHBondContact O-N 3.5Å; Y420-H422 PolarHBondContact O-N 3.36Å; Y420-A423 PolarHBondContact O-N 3.19Å; Y420-Q424 WeakPolarHBondContact O-CB 3.39Å; Y420-Q424 PolarHBondContact O-N 3.18Å |
| 421 | S | 89.8 | Confident | 84.1 | Confident | 53 Ų | 53 | 78.9 Ų | 78.9 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 179.7 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | E417 M418 Q424 A425 | E417-S421 WeakPolarHBondContact O-CB 3.43Å; E417-S421 PolarHBondContact O-N 3.03Å; E417-S421 PolarHBondContact O-OG 3.48Å; M418-S421 PolarHBondContact O-OG 3.37Å; S421-Q424 PolarHBondContact O-N 3.35Å; S421-A425 VanDerWaalsContact O-CB 3.3Å; S421-A425 WeakPolarHBondContact O-CB 3.45Å; S421-A425 PolarHBondContact O-N 3.03Å |
| 422 | H | 86.9 | Confident | 82.8 | Confident | 39 Ų | 39 | 84.3 Ų | 84.3 | 18% | 0.181 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 174 | -76 | -56.5 | 0 | 0 | 0 | 112.2 | T108 T111 L112 I115 M418 Y420 Q424 A425 R426 | T108-H422 WeakPolarHBondContact CG2-CE1 3.49Å; T111-H422 HydrophobicContact CG2-CB 4.31Å; L112-H422 HydrophobicContact CD2-CB 4.19Å; I115-H422 HydrophobicContact CD1-CB 3.36Å; M418-H422 PolarHBondContact O-CD2 3.26Å; M418-H422 PolarHBondContact O-N 3.15Å; Y420-H422 PolarHBondContact O-N 3.36Å; H422-Q424 VanDerWaalsContact C-N 3.34Å; H422-Q424 PolarHBondContact O-N 3.2Å; H422-A425 PolarHBondContact O-N 3.02Å; H422-R426 WeakPolarHBondContact O-CB 3.35Å; H422-R426 WeakPolarHBondContact O-CG 3.32Å; H422-R426 PolarHBondContact O-N 2.69Å |
| 423 | A | 84.8 | Confident | 81 | Confident | 16 Ų | 16 | 94 Ų | 94 | 13% | 0.132 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I115 I317 F419 Y420 A427 | I115-A423 HydrophobicContact CD1-CB 4.36Å; I115-A423 HydrophobicContact CG2-CB 4.29Å; I317-A423 HydrophobicContact CD1-CB 3.95Å; F419-A423 WeakPolarHBondContact O-CB 3.35Å; F419-A423 PolarHBondContact O-N 3.15Å; Y420-A423 PolarHBondContact O-N 3.19Å; A423-A427 WeakPolarHBondContact O-CB 3.45Å; A423-A427 PolarHBondContact O-N 3.28Å |
| 424 | Q | 86.1 | Confident | 79.2 | Confident | 84 Ų | 84 | 101.4 Ų | 101.4 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70 | -42.9 | 178.4 | -167.3 | -173.8 | 14 | 0 | 0 | 112.4 | Y420 S421 H422 R426 A427 K428 | Y420-Q424 WeakPolarHBondContact O-CB 3.39Å; Y420-Q424 PolarHBondContact O-N 3.18Å; S421-Q424 PolarHBondContact O-N 3.35Å; H422-Q424 VanDerWaalsContact C-N 3.34Å; H422-Q424 PolarHBondContact O-N 3.2Å; Q424-R426 VanDerWaalsContact C-N 3.31Å; Q424-R426 PolarHBondContact O-N 3.49Å; Q424-A427 PolarHBondContact O-N 2.9Å; Q424-K428 WeakPolarHBondContact O-CG 3.47Å; Q424-K428 PolarHBondContact O-N 2.62Å; Q424-K428 VanDerWaalsContact O-N 3.15Å |
| 425 | A | 86.4 | Confident | 77.4 | Confident | 53 Ų | 53 | 108.6 Ų | 108.6 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S421 H422 K428 L429 | S421-A425 VanDerWaalsContact O-CB 3.3Å; S421-A425 WeakPolarHBondContact O-CB 3.45Å; S421-A425 PolarHBondContact O-N 3.03Å; H422-A425 PolarHBondContact O-N 3.02Å; A425-K428 PolarHBondContact O-N 3.41Å; A425-L429 WeakPolarHBondContact O-CG 3.44Å; A425-L429 PolarHBondContact O-N 3.27Å; A425-L429 VanDerWaalsContact O-N 3.14Å |
| 426 | R | 79.9 | Confident | 75.7 | Confident | 61 Ų | 61 | 113.3 Ų | 113.3 | 23% | 0.23 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 174.3 | -73.9 | -176 | 73 | 114.8 | 17.4 | 113.1 | L112 E116 E119 H422 Q424 K428 L429 | L112-R426 HydrophobicContact CD2-CG 3.94Å; E116-R426 IonicContact OE2-NH1 2.83Å; E119-R426 WeakPolarHBondContact OE1-CB 3.37Å; E119-R426 VanDerWaalsContact OE1-CD 3.3Å; E119-R426 WeakPolarHBondContact OE1-CD 3.41Å; E119-R426 IonicContact OE1-CZ 2.7Å; E119-R426 IonicContact OE1-NE 3.85Å; E119-R426 PolarHBondContact OE1-NE 3.16Å; E119-R426 IonicContact OE2-CZ 3.16Å; E119-R426 IonicContact OE2-NE 3.31Å; E119-R426 PolarHBondContact OE2-NE 3.12Å; E119-R426 IonicContact OE2-NH2 2.63Å; E119-R426 PolarHBondContact OE2-NH2 2.84Å; H422-R426 WeakPolarHBondContact O-CB 3.35Å; H422-R426 WeakPolarHBondContact O-CG 3.32Å; H422-R426 PolarHBondContact O-N 2.69Å; Q424-R426 VanDerWaalsContact C-N 3.31Å; Q424-R426 PolarHBondContact O-N 3.49Å; R426-K428 PolarHBondContact O-N 2.85Å; R426-L429 PolarHBondContact O-N 3.16Å; R426-L429 VanDerWaalsContact O-N 3.1Å |
| 427 | A | 78.9 | Confident | 74 | Confident | 85 Ų | 85 | 112.4 Ų | 112.4 | 70% | 0.702 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -27.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | A423 Q424 | A423-A427 WeakPolarHBondContact O-CB 3.45Å; A423-A427 PolarHBondContact O-N 3.28Å; Q424-A427 PolarHBondContact O-N 2.9Å |
| 428 | K | 83 | Confident | 72.2 | Confident | 158 Ų | 158 | 109.7 Ų | 109.7 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -83.7 | -24 | 175.2 | -67.2 | 175.7 | -177.4 | 175.6 | 0 | 113.4 | Q424 A425 R426 | Q424-K428 WeakPolarHBondContact O-CG 3.47Å; Q424-K428 PolarHBondContact O-N 2.62Å; Q424-K428 VanDerWaalsContact O-N 3.15Å; A425-K428 PolarHBondContact O-N 3.41Å; R426-K428 PolarHBondContact O-N 2.85Å |
| 429 | L | 80.2 | Confident | 70.6 | Confident | 117 Ų | 117 | 111.5 Ų | 111.5 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -69 | 136.9 | 177.6 | -73.2 | 171.2 | 0 | 0 | 0 | 110.2 | A425 R426 K431 | A425-L429 WeakPolarHBondContact O-CG 3.44Å; A425-L429 PolarHBondContact O-N 3.27Å; A425-L429 VanDerWaalsContact O-N 3.14Å; R426-L429 PolarHBondContact O-N 3.16Å; R426-L429 VanDerWaalsContact O-N 3.1Å; L429-K431 PolarHBondContact O-N 2.75Å |
| 430 | P | 72.2 | Confident | 69 | Low | 113 Ų | 113 | 118.5 Ų | 118.5 | 73% | 0.734 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133.6 | 174.6 | 24.7 | -32.6 | 0 | 0 | 0 | 109.4 | K432 | P430-K432 PolarHBondContact O-N 3.36Å; P430-K432 VanDerWaalsContact O-N 3.07Å |
| 431 | K | 63.4 | Low | 67.4 | Low | 192 Ų | 192 | 117.5 Ų | 117.5 | 84% | 0.835 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 121.8 | 177.1 | -69 | -171.9 | 178.4 | -173.8 | 0 | 108.9 | L429 R433 | L429-K431 PolarHBondContact O-N 2.75Å; K431-R433 PolarHBondContact O-N 2.63Å |
| 432 | K | 58.8 | Low | 65.6 | Low | 179 Ų | 179 | 117.6 Ų | 117.6 | 78% | 0.778 | 58% | 0.578 | S | S | * | * | trans | -34.2 | 101.5 | -175.3 | -164.1 | 177.5 | -174.7 | -178.8 | 0 | 111 | P430 R434 | P430-K432 PolarHBondContact O-N 3.36Å; P430-K432 VanDerWaalsContact O-N 3.07Å; K432-R434 PolarHBondContact O-N 3.06Å | ||
| 433 | R | 49.6 | Very low | 64 | Low | 235 Ų | 235 | 123.2 Ų | 123.2 | 89% | 0.887 | 60% | 0.602 | S | S | * | * | trans | -62.6 | 135.4 | 168.5 | -85.4 | -173.5 | 175 | -150.5 | 0.1 | 107.1 | K431 R435 | K431-R433 PolarHBondContact O-N 2.63Å; R433-R435 PolarHBondContact O-N 3.09Å | ||
| 434 | R | 53.1 | Low | 62.4 | Low | 234 Ų | 234 | 129 Ų | 129 | 88% | 0.883 | 63% | 0.628 | S | S | * | * | trans | -36.4 | 124.9 | 176.4 | -157.5 | 178.1 | -170 | -165.8 | 1.8 | 109.2 | K432 V436 | K432-R434 PolarHBondContact O-N 3.06Å; R434-V436 PolarHBondContact O-N 3.34Å | ||
| 435 | R | 49.9 | Very low | 60.7 | Low | 210 Ų | 210 | 131.1 Ų | 131.1 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | trans | -50.2 | 120.9 | 173.1 | -78.7 | -171.5 | -176.5 | -158.6 | 1.7 | 106.6 | R433 L437 | R433-R435 PolarHBondContact O-N 3.09Å; R435-L437 VanDerWaalsContact C-N 3.26Å; R435-L437 PolarHBondContact O-N 2.79Å | ||
| 436 | V | 50.1 | Low | 59 | Low | 142 Ų | 142 | 134.2 Ų | 134.2 | 86% | 0.861 | 65% | 0.648 | S | S | * | * | trans | -68.3 | 98.7 | 168.5 | -175.8 | 0 | 0 | 0 | 0 | 104.1 | R434 | R434-V436 PolarHBondContact O-N 3.34Š| ||
| 437 | L | 51.9 | Low | 57.7 | Low | 61 Ų | 61 | 142.1 Ų | 142.1 | 32% | 0.319 | 68% | 0.678 | S | S | . | * | trans | -53.2 | 139 | 169.6 | -75.4 | 143.9 | 0 | 0 | 0 | 107.1 | R435 E441 T442 M445 | R435-L437 VanDerWaalsContact C-N 3.26Å; R435-L437 PolarHBondContact O-N 2.79Å; L437-E441 HydrophobicContact CB-CB 4.46Å; L437-E441 HydrophobicContact CD2-CB 4.02Å; L437-E441 WeakPolarHBondContact CD2-OE2 3.13Å; L437-T442 WeakPolarHBondContact CB-OG1 3.21Å; L437-M445 HydrophobicContact CD1-SD 4.19Å | ||
| 438 | P | 50.6 | Low | 56.2 | Low | 72 Ų | 72 | 145.3 Ų | 145.3 | 47% | 0.468 | 68% | 0.678 | S | S | . | * | trans | -49.1 | 142.8 | 166.3 | -24.4 | 33.5 | 0 | 0 | 0 | 109.7 | E440 E441 T442 | P438-E440 PolarHBondContact O-N 3.32Å; P438-E441 PolarHBondContact O-N 3.25Å; P438-E441 VanDerWaalsContact O-N 3.09Å; P438-T442 PolarHBondContact O-N 3.12Å; P438-T442 PolarHBondContact O-OG1 3.29Å; P438-T442 VanDerWaalsContact O-OG1 3.12Å | ||
| 439 | P | 53.8 | Low | 54.1 | Low | 98 Ų | 98 | 147.3 Ų | 147.3 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56.5 | -23 | -173.9 | 17.2 | -29.2 | 0 | 0 | 0 | 113.7 | K443 | P439-K443 WeakPolarHBondContact O-CG 3.45Å; P439-K443 PolarHBondContact O-N 3.39Å |
| 440 | E | 53.6 | Low | 52.1 | Low | 159 Ų | 159 | 147.3 Ų | 147.3 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70 | -45 | 177.3 | -62.7 | -176.5 | 160 | 0 | 0 | 113.1 | P438 T442 K443 M444 | P438-E440 PolarHBondContact O-N 3.32Å; E440-T442 VanDerWaalsContact C-N 3.32Å; E440-T442 PolarHBondContact O-N 3.47Å; E440-K443 PolarHBondContact O-N 3.34Å; E440-M444 PolarHBondContact O-N 2.96Å |
| 441 | E | 53.6 | Low | 50.6 | Low | 106 Ų | 106 | 146 Ų | 146 | 50% | 0.495 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -69.8 | -33 | 176.8 | -67.7 | -176.5 | 159.6 | 0 | 0 | 111.5 | L437 P438 K443 M444 M445 | L437-E441 HydrophobicContact CB-CB 4.46Å; L437-E441 HydrophobicContact CD2-CB 4.02Å; L437-E441 WeakPolarHBondContact CD2-OE2 3.13Å; P438-E441 PolarHBondContact O-N 3.25Å; P438-E441 VanDerWaalsContact O-N 3.09Å; E441-K443 VanDerWaalsContact C-N 3.3Å; E441-K443 PolarHBondContact O-N 2.73Å; E441-M444 PolarHBondContact O-N 3.31Å; E441-M445 PolarHBondContact O-N 3.42Å |
| 442 | T | 52 | Low | 49.2 | Very low | 55 Ų | 55 | 146.8 Ų | 146.8 | 34% | 0.337 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -63 | -38.6 | 177 | -43.8 | 0 | 0 | 0 | 0 | 111.3 | L437 P438 E440 L446 | L437-T442 WeakPolarHBondContact CB-OG1 3.21Å; P438-T442 PolarHBondContact O-N 3.12Å; P438-T442 PolarHBondContact O-OG1 3.29Å; P438-T442 VanDerWaalsContact O-OG1 3.12Å; E440-T442 VanDerWaalsContact C-N 3.32Å; E440-T442 PolarHBondContact O-N 3.47Å; T442-L446 HydrophobicContact CG2-CD1 4.47Å; T442-L446 WeakPolarHBondContact O-CG 3.24Å; T442-L446 PolarHBondContact O-N 2.94Å; T442-L446 VanDerWaalsContact O-N 3.12Å |
| 443 | K | 52 | Low | 48.1 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -67.1 | -37.4 | 175 | -76.1 | 177.4 | -179.5 | 177.2 | 0 | 112.4 | P439 E440 E441 R447 | P439-K443 WeakPolarHBondContact O-CG 3.45Å; P439-K443 PolarHBondContact O-N 3.39Å; E440-K443 PolarHBondContact O-N 3.34Å; E441-K443 VanDerWaalsContact C-N 3.3Å; E441-K443 PolarHBondContact O-N 2.73Å; K443-R447 PolarHBondContact O-N 2.86Å |
| 444 | M | 52.1 | Low | 47.3 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.2 | -43.7 | 175.6 | -77 | -171.5 | 176.5 | 0 | 0 | 112.1 | E440 E441 L446 R447 H448 | E440-M444 PolarHBondContact O-N 2.96Å; E441-M444 PolarHBondContact O-N 3.31Å; M444-L446 PolarHBondContact O-N 3.25Å; M444-R447 WeakPolarHBondContact O-CB 3.46Å; M444-R447 PolarHBondContact O-N 2.91Å; M444-H448 PolarHBondContact O-CD2 3.12Å; M444-H448 VanDerWaalsContact O-CD2 3.26Å; M444-H448 PolarHBondContact O-N 3.26Å |
| 445 | M | 49.3 | Very low | 46.4 | Very low | 129 Ų | 129 | 133 Ų | 133 | 64% | 0.635 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64.2 | -40.4 | 176.9 | -78.8 | -166.3 | 163.1 | 0 | 0 | 113.1 | L437 E441 R447 H448 R449 | L437-M445 HydrophobicContact CD1-SD 4.19Å; E441-M445 PolarHBondContact O-N 3.42Å; M445-R447 PolarHBondContact O-N 3.29Å; M445-H448 PolarHBondContact O-N 3.06Å; M445-H448 VanDerWaalsContact O-N 3.12Å; M445-R449 PolarHBondContact O-N 3.02Å |
| 446 | L | 52.3 | Low | 45.5 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 62% | 0.618 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -63.5 | -30.9 | 176.8 | -76.6 | 167.3 | 0 | 0 | 0 | 112.6 | T442 M444 H448 | T442-L446 HydrophobicContact CG2-CD1 4.47Å; T442-L446 WeakPolarHBondContact O-CG 3.24Å; T442-L446 PolarHBondContact O-N 2.94Å; T442-L446 VanDerWaalsContact O-N 3.12Å; M444-L446 PolarHBondContact O-N 3.25Å; L446-H448 VanDerWaalsContact C-N 3.27Å; L446-H448 PolarHBondContact O-N 3.12Å |
| 447 | R | 51.5 | Low | 44.5 | Very low | 228 Ų | 228 | 131 Ų | 131 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -68.3 | -24.2 | 175.1 | -114.3 | -177.2 | 173.1 | -167.5 | -1.8 | 113.6 | K443 M444 M445 | K443-R447 PolarHBondContact O-N 2.86Å; M444-R447 WeakPolarHBondContact O-CB 3.46Å; M444-R447 PolarHBondContact O-N 2.91Å; M445-R447 PolarHBondContact O-N 3.29Å |
| 448 | H | 47.2 | Very low | 43.4 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -95.6 | -3.7 | -177.5 | -75.4 | -60.1 | 0 | 0 | 0 | 114.5 | M444 M445 L446 P450 | M444-H448 PolarHBondContact O-CD2 3.12Å; M444-H448 VanDerWaalsContact O-CD2 3.26Å; M444-H448 PolarHBondContact O-N 3.26Å; M445-H448 PolarHBondContact O-N 3.06Å; M445-H448 VanDerWaalsContact O-N 3.12Å; L446-H448 VanDerWaalsContact C-N 3.27Å; L446-H448 PolarHBondContact O-N 3.12Å; H448-P450 VanDerWaalsContact O-CD 3.24Å; H448-P450 WeakPolarHBondContact O-CD 3.37Å |
| 449 | R | 39 | Very low | 42.5 | Very low | 201 Ų | 201 | 140.5 Ų | 140.5 | 76% | 0.758 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -75.4 | 113.9 | 172 | -139.7 | 177.5 | -172.3 | -174.5 | 1.9 | 108.1 | M445 A451 | M445-R449 PolarHBondContact O-N 3.02Å; R449-A451 PolarHBondContact O-N 3.32Å |
| 450 | P | 39 | Very low | 41.5 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -60.6 | 127.4 | 173 | 24.6 | -30.6 | 0 | 0 | 0 | 107.9 | H448 K452 | H448-P450 VanDerWaalsContact O-CD 3.24Å; H448-P450 WeakPolarHBondContact O-CD 3.37Å; P450-K452 PolarHBondContact O-N 2.8Å | ||
| 451 | A | 40.3 | Very low | 40.3 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | trans | -52.7 | 131.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | R449 V453 | R449-A451 PolarHBondContact O-N 3.32Å; A451-V453 PolarHBondContact O-N 2.96Å | ||
| 452 | K | 33.9 | Very low | 39.1 | Very low | 207 Ų | 207 | 143.7 Ų | 143.7 | 90% | 0.9 | 75% | 0.753 | S | S | * | * | trans | -51.7 | 105.8 | 169.5 | -79.7 | -179.8 | 172.9 | -177.2 | 0 | 106.8 | P450 T454 | P450-K452 PolarHBondContact O-N 2.8Å; K452-T454 VanDerWaalsContact C-N 3.33Å; K452-T454 PolarHBondContact O-N 3.15Å | ||
| 453 | V | 35.7 | Very low | 38 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -63.4 | 103 | 172.3 | 178 | 0 | 0 | 0 | 0 | 105.1 | A451 A455 | A451-V453 PolarHBondContact O-N 2.96Å; V453-A455 PolarHBondContact O-N 2.79Å; V453-A455 VanDerWaalsContact O-N 3.11Å | ||
| 454 | T | 32.6 | Very low | 36.8 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -53 | 116.7 | 168.5 | 34.2 | 0 | 0 | 0 | 0 | 106.9 | K452 E456 | K452-T454 VanDerWaalsContact C-N 3.33Å; K452-T454 PolarHBondContact O-N 3.15Å; T454-E456 PolarHBondContact O-N 3.41Å | ||
| 455 | A | 35.2 | Very low | 35.7 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -69.2 | 76.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110 | V453 | V453-A455 PolarHBondContact O-N 2.79Å; V453-A455 VanDerWaalsContact O-N 3.11Å |
| 456 | E | 30.7 | Very low | 34.7 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -168.4 | 66.8 | 174.7 | -114.2 | 169.6 | -145.9 | 0 | 0 | 110.2 | T454 | T454-E456 PolarHBondContact O-N 3.41Š| ||
| 457 | T | 28.4 | Very low | 33.8 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 176.3 | 137.1 | 134.8 | 18.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 458 | N | 29.2 | Very low | 32.8 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | 78.4 | 79.7 | 159 | -62.2 | -7.5 | 0 | 0 | 0 | 118.4 | ||||
| 459 | K | 31.5 | Very low | 32.5 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -42.9 | 134.4 | 131.9 | -66.9 | 173.8 | 177.2 | 176.4 | 0 | 108.7 | ||
| 460 | H | 31.8 | Very low | 32.3 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 89.2 | 64.7 | -177 | -51.1 | -70.5 | 0 | 0 | 0 | 116.7 | ||||
| 461 | A | 29 | Very low | 32.3 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -151.1 | 65 | 147 | 0 | 0 | 0 | 0 | 0 | 110 | A463 | A461-A463 PolarHBondContact O-N 3.32Å; A461-A463 VanDerWaalsContact O-N 3.12Å | ||
| 462 | V | 27.8 | Very low | 32.2 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 93% | 0.927 | 78% | 0.781 | S | S | * | * | trans | -80.8 | 80.2 | 162.3 | -179.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 463 | A | 28.8 | Very low | 32.8 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | trans | -120.9 | 107.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | A461 T465 | A461-A463 PolarHBondContact O-N 3.32Å; A461-A463 VanDerWaalsContact O-N 3.12Å; A463-T465 PolarHBondContact O-N 3.28Å | ||
| 464 | K | 26.9 | Very low | 33.1 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -45.8 | 106.7 | 169.9 | -68.8 | 171 | 174.2 | 176.9 | 0 | 108.4 | ||||
| 465 | T | 29.1 | Very low | 33.7 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | trans | -92.7 | 106.6 | 166.4 | 34 | 0 | 0 | 0 | 0 | 106.6 | A463 V467 | A463-T465 PolarHBondContact O-N 3.28Å; T465-V467 PolarHBondContact O-N 2.95Å; T465-V467 VanDerWaalsContact O-N 3.15Å | ||
| 466 | D | 28.9 | Very low | 34.4 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | trans | -50.7 | 117.8 | 170.6 | -76.9 | -48.7 | 0 | 0 | 0 | 109.4 | K468 | D466-K468 PolarHBondContact O-N 2.92Š| ||
| 467 | V | 34 | Very low | 35.5 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 75% | 0.745 | 70% | 0.7 | S | S | * | * | trans | -62.8 | 107.3 | 172.8 | 176.3 | 0 | 0 | 0 | 0 | 107.2 | T465 | T465-V467 PolarHBondContact O-N 2.95Å; T465-V467 VanDerWaalsContact O-N 3.15Å | ||
| 468 | K | 30.8 | Very low | 36.6 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 71% | 0.709 | 69% | 0.686 | S | S | * | * | trans | -48.2 | 135.5 | 176.5 | -81 | -178.7 | 172.6 | -177.9 | 0 | 110.9 | D466 E470 | D466-K468 PolarHBondContact O-N 2.92Å; K468-E470 PolarHBondContact O-N 2.84Å | ||
| 469 | P | 39.1 | Very low | 37.5 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 71% | 0.708 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -2 | -174.2 | 25.6 | -33.4 | 0 | 0 | 0 | 115 | R471 R472 | P469-R471 VanDerWaalsContact C-N 3.33Å; P469-R471 PolarHBondContact O-N 3.17Å; P469-R472 PolarHBondContact O-N 3.1Å |
| 470 | E | 35.4 | Very low | 38.8 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 70% | 0.696 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.2 | -22.8 | -178.7 | -149.8 | 170.7 | -169.2 | 0 | 0 | 113.6 | K468 S473 | K468-E470 PolarHBondContact O-N 2.84Å; E470-S473 PolarHBondContact O-OG 2.69Å |
| 471 | R | 38.8 | Very low | 40.1 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 67% | 0.668 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.8 | -26.4 | 172.5 | -99 | -175.3 | -177.3 | -170.4 | 1.1 | 113.6 | P469 T474 L475 | P469-R471 VanDerWaalsContact C-N 3.33Å; P469-R471 PolarHBondContact O-N 3.17Å; R471-T474 PolarHBondContact O-OG1 2.97Å; R471-L475 PolarHBondContact O-N 3.11Å |
| 472 | R | 38 | Very low | 41.3 | Very low | 182 Ų | 182 | 124.8 Ų | 124.8 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.1 | -29.6 | 179.9 | -108.1 | 180 | 175.6 | 179.3 | -0.5 | 112.2 | P469 R476 | P469-R472 PolarHBondContact O-N 3.1Å; R472-R476 WeakPolarHBondContact O-CB 3.32Å; R472-R476 VanDerWaalsContact O-CG 3.28Å; R472-R476 WeakPolarHBondContact O-CG 3.4Å; R472-R476 PolarHBondContact O-N 3.48Å |
| 473 | S | 46.1 | Very low | 42.8 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77.1 | -38.5 | -179.1 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | E470 A477 | E470-S473 PolarHBondContact O-OG 2.69Å; S473-A477 WeakPolarHBondContact O-CB 3.43Å; S473-A477 PolarHBondContact O-N 3.35Å |
| 474 | T | 43.4 | Very low | 44 | Very low | 79 Ų | 79 | 128.5 Ų | 128.5 | 49% | 0.485 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.4 | -40.3 | 180 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | R471 A477 I478 | R471-T474 PolarHBondContact O-OG1 2.97Å; T474-A477 PolarHBondContact O-N 3.34Å; T474-I478 WeakPolarHBondContact O-CG1 3.45Å; T474-I478 PolarHBondContact O-N 3.12Å; T474-I478 VanDerWaalsContact O-N 3.07Å |
| 475 | L | 43.9 | Very low | 45.3 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 51% | 0.508 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.1 | -45.6 | 173.7 | -99.6 | 137.2 | 0 | 0 | 0 | 112.3 | R471 A477 I478 E479 | R471-L475 PolarHBondContact O-N 3.11Å; L475-A477 PolarHBondContact O-N 3.44Å; L475-I478 PolarHBondContact O-N 3Å; L475-E479 PolarHBondContact O-N 3.17Å |
| 476 | R | 50.7 | Low | 46.4 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.6 | -32.8 | 173.6 | -78.5 | -179.2 | 177.8 | -178.9 | -1.6 | 112.9 | R472 M480 | R472-R476 WeakPolarHBondContact O-CB 3.32Å; R472-R476 VanDerWaalsContact O-CG 3.28Å; R472-R476 WeakPolarHBondContact O-CG 3.4Å; R472-R476 PolarHBondContact O-N 3.48Å; R476-M480 HydrophobicContact CB-CE 4.41Å; R476-M480 VanDerWaalsContact O-CB 3.25Å; R476-M480 WeakPolarHBondContact O-CB 3.12Å; R476-M480 WeakPolarHBondContact O-CE 3.33Å; R476-M480 WeakPolarHBondContact O-CG 3.27Å; R476-M480 PolarHBondContact O-N 2.98Å |
| 477 | A | 53.2 | Low | 47.5 | Very low | 46 Ų | 46 | 120.7 Ų | 120.7 | 38% | 0.38 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.6 | -33.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S473 T474 L475 K481 | S473-A477 WeakPolarHBondContact O-CB 3.43Å; S473-A477 PolarHBondContact O-N 3.35Å; T474-A477 PolarHBondContact O-N 3.34Å; L475-A477 PolarHBondContact O-N 3.44Å; A477-K481 WeakPolarHBondContact O-CG 3.48Å; A477-K481 PolarHBondContact O-N 3.04Å |
| 478 | I | 51.1 | Low | 48.4 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 52% | 0.518 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -76.4 | -44.3 | 175.7 | -66.5 | 167.8 | 0 | 0 | 0 | 110.6 | T474 L475 M480 K481 L482 | T474-I478 WeakPolarHBondContact O-CG1 3.45Å; T474-I478 PolarHBondContact O-N 3.12Å; T474-I478 VanDerWaalsContact O-N 3.07Å; L475-I478 PolarHBondContact O-N 3Å; I478-M480 PolarHBondContact O-N 3.37Å; I478-K481 WeakPolarHBondContact O-CB 3.32Å; I478-K481 PolarHBondContact O-N 3.25Å; I478-L482 HydrophobicContact CG2-CD1 3.99Å; I478-L482 PolarHBondContact O-N 3.1Å |
| 479 | E | 50.1 | Low | 49.3 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -56.9 | -48.5 | 171.9 | -75.6 | 173.5 | 163.8 | 0 | 0 | 110.7 | L475 K481 L482 E483 | L475-E479 PolarHBondContact O-N 3.17Å; E479-K481 PolarHBondContact O-N 2.94Å; E479-L482 PolarHBondContact O-N 3.34Å; E479-L482 VanDerWaalsContact O-N 3.11Å; E479-E483 WeakPolarHBondContact O-CB 3.42Å; E479-E483 WeakPolarHBondContact O-CG 3.36Å; E479-E483 PolarHBondContact O-N 2.84Å |
| 480 | M | 58.8 | Low | 49.9 | Very low | 96 Ų | 96 | 115.4 Ų | 115.4 | 47% | 0.473 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.3 | -32.7 | 174.9 | -84.7 | -171.3 | -81.2 | 0 | 0 | 112.8 | R476 I478 R484 | R476-M480 HydrophobicContact CB-CE 4.41Å; R476-M480 VanDerWaalsContact O-CB 3.25Å; R476-M480 WeakPolarHBondContact O-CB 3.12Å; R476-M480 WeakPolarHBondContact O-CE 3.33Å; R476-M480 WeakPolarHBondContact O-CG 3.27Å; R476-M480 PolarHBondContact O-N 2.98Å; I478-M480 PolarHBondContact O-N 3.37Å; M480-R484 WeakPolarHBondContact O-CB 3.46Å; M480-R484 WeakPolarHBondContact O-CD 3.4Å; M480-R484 WeakPolarHBondContact O-CG 3.41Å; M480-R484 PolarHBondContact O-N 3.43Å |
| 481 | K | 58.6 | Low | 50.7 | Low | 152 Ų | 152 | 113.5 Ų | 113.5 | 66% | 0.661 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.9 | -38.3 | 175 | -82.7 | -177.7 | 178.9 | -178.7 | 0 | 112.2 | A477 I478 E479 R485 | A477-K481 WeakPolarHBondContact O-CG 3.48Å; A477-K481 PolarHBondContact O-N 3.04Å; I478-K481 WeakPolarHBondContact O-CB 3.32Å; I478-K481 PolarHBondContact O-N 3.25Å; E479-K481 PolarHBondContact O-N 2.94Å; K481-R485 WeakPolarHBondContact O-CG 3.48Å; K481-R485 PolarHBondContact O-N 3.44Å |
| 482 | L | 53.8 | Low | 51.5 | Low | 110 Ų | 110 | 109.4 Ų | 109.4 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.8 | -44.5 | 176.6 | -85.4 | 157.7 | 0 | 0 | 0 | 111.5 | I478 E479 R485 A486 | I478-L482 HydrophobicContact CG2-CD1 3.99Å; I478-L482 PolarHBondContact O-N 3.1Å; E479-L482 PolarHBondContact O-N 3.34Å; E479-L482 VanDerWaalsContact O-N 3.11Å; L482-R485 PolarHBondContact O-N 3.33Å; L482-R485 VanDerWaalsContact O-N 3.15Å; L482-A486 WeakPolarHBondContact O-CB 3.45Å; L482-A486 PolarHBondContact O-N 2.9Å |
| 483 | E | 60.3 | Low | 52.5 | Low | 128 Ų | 128 | 105.3 Ų | 105.3 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.6 | -40.3 | 173.7 | -74.6 | -173.4 | 160 | 0 | 0 | 111.6 | E479 R485 A486 T487 | E479-E483 WeakPolarHBondContact O-CB 3.42Å; E479-E483 WeakPolarHBondContact O-CG 3.36Å; E479-E483 PolarHBondContact O-N 2.84Å; E483-R485 VanDerWaalsContact C-N 3.31Å; E483-R485 PolarHBondContact O-N 3.49Å; E483-A486 PolarHBondContact O-N 3.43Å; E483-T487 WeakPolarHBondContact O-CB 3.36Å; E483-T487 WeakPolarHBondContact O-CG2 3.2Å; E483-T487 PolarHBondContact O-N 3.5Å; E483-T487 PolarHBondContact O-OG1 2.95Å |
| 484 | R | 53.2 | Low | 52.7 | Low | 179 Ų | 179 | 105.9 Ų | 105.9 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.9 | -37.8 | 171.9 | -80.3 | 176.2 | -174.4 | -166.3 | 2.8 | 112.3 | M480 T487 S488 | M480-R484 WeakPolarHBondContact O-CB 3.46Å; M480-R484 WeakPolarHBondContact O-CD 3.4Å; M480-R484 WeakPolarHBondContact O-CG 3.41Å; M480-R484 PolarHBondContact O-N 3.43Å; R484-T487 WeakPolarHBondContact CA-OG1 3.2Å; R484-T487 PolarHBondContact O-OG1 3.21Å; R484-S488 WeakPolarHBondContact O-CB 3.08Å; R484-S488 PolarHBondContact O-N 2.94Å |
| 485 | R | 55 | Low | 53.6 | Low | 188 Ų | 188 | 104.9 Ų | 104.9 | 71% | 0.709 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.8 | -39.1 | 175.1 | -79.8 | 178.7 | 172.3 | -179.3 | -2.7 | 112.3 | K481 L482 E483 K489 | K481-R485 WeakPolarHBondContact O-CG 3.48Å; K481-R485 PolarHBondContact O-N 3.44Å; L482-R485 PolarHBondContact O-N 3.33Å; L482-R485 VanDerWaalsContact O-N 3.15Å; E483-R485 VanDerWaalsContact C-N 3.31Å; E483-R485 PolarHBondContact O-N 3.49Å; R485-K489 WeakPolarHBondContact O-CB 3.33Å; R485-K489 WeakPolarHBondContact O-CG 3.44Å; R485-K489 PolarHBondContact O-N 3.24Å; R485-K489 VanDerWaalsContact O-N 3.11Å |
| 486 | A | 52.1 | Low | 54.4 | Low | 55 Ų | 55 | 102.9 Ų | 102.9 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L482 E483 K489 V490 | L482-A486 WeakPolarHBondContact O-CB 3.45Å; L482-A486 PolarHBondContact O-N 2.9Å; E483-A486 PolarHBondContact O-N 3.43Å; A486-K489 PolarHBondContact O-N 2.77Å; A486-V490 WeakPolarHBondContact O-CG2 3.35Å; A486-V490 PolarHBondContact O-N 3.21Å |
| 487 | T | 50.9 | Low | 55.1 | Low | 77 Ų | 77 | 101.3 Ų | 101.3 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 176.6 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | E483 R484 K489 V490 I491 | E483-T487 WeakPolarHBondContact O-CB 3.36Å; E483-T487 WeakPolarHBondContact O-CG2 3.2Å; E483-T487 PolarHBondContact O-N 3.5Å; E483-T487 PolarHBondContact O-OG1 2.95Å; R484-T487 WeakPolarHBondContact CA-OG1 3.2Å; R484-T487 PolarHBondContact O-OG1 3.21Å; T487-K489 VanDerWaalsContact C-N 3.35Å; T487-K489 PolarHBondContact O-N 2.99Å; T487-V490 PolarHBondContact O-N 3.38Å; T487-I491 WeakPolarHBondContact O-CB 3.32Å; T487-I491 WeakPolarHBondContact O-CD1 3.26Å; T487-I491 WeakPolarHBondContact O-CG1 3.44Å; T487-I491 PolarHBondContact O-N 3.18Å |
| 488 | S | 53.8 | Low | 55.7 | Low | 59 Ų | 59 | 106.8 Ų | 106.8 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 171.7 | -169 | 0 | 0 | 0 | 0 | 110.6 | R484 V490 I491 D492 | R484-S488 WeakPolarHBondContact O-CB 3.08Å; R484-S488 PolarHBondContact O-N 2.94Å; S488-V490 VanDerWaalsContact C-N 3.33Å; S488-V490 PolarHBondContact O-N 3.4Å; S488-I491 PolarHBondContact O-N 2.94Å; S488-D492 WeakPolarHBondContact O-CB 3.36Å; S488-D492 PolarHBondContact O-N 3.4Å |
| 489 | K | 48.7 | Very low | 56.3 | Low | 148 Ų | 148 | 107.4 Ų | 107.4 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.4 | -39.6 | 176.8 | -77.5 | -177.7 | 175 | -169.1 | 0 | 113 | R485 A486 T487 D492 I493 | R485-K489 WeakPolarHBondContact O-CB 3.33Å; R485-K489 WeakPolarHBondContact O-CG 3.44Å; R485-K489 PolarHBondContact O-N 3.24Å; R485-K489 VanDerWaalsContact O-N 3.11Å; A486-K489 PolarHBondContact O-N 2.77Å; T487-K489 VanDerWaalsContact C-N 3.35Å; T487-K489 PolarHBondContact O-N 2.99Å; K489-D492 PolarHBondContact O-N 2.93Å; K489-I493 WeakPolarHBondContact O-CD1 3.17Å; K489-I493 WeakPolarHBondContact O-CG1 3.42Å; K489-I493 PolarHBondContact O-N 2.78Å |
| 490 | V | 53.1 | Low | 57 | Low | 78 Ų | 78 | 108.2 Ų | 108.2 | 47% | 0.473 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71 | -36.9 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | A486 T487 S488 I493 N494 | A486-V490 WeakPolarHBondContact O-CG2 3.35Å; A486-V490 PolarHBondContact O-N 3.21Å; T487-V490 PolarHBondContact O-N 3.38Å; S488-V490 VanDerWaalsContact C-N 3.33Å; S488-V490 PolarHBondContact O-N 3.4Å; V490-I493 PolarHBondContact O-N 3.2Å; V490-N494 WeakPolarHBondContact O-CB 3.18Å; V490-N494 PolarHBondContact O-N 3.17Å; V490-N494 PolarHBondContact O-ND2 2.87Å |
| 491 | I | 50.8 | Low | 57.3 | Low | 109 Ų | 109 | 106.4 Ų | 106.4 | 56% | 0.559 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.3 | -41.7 | 174.2 | -68.1 | 163.9 | 0 | 0 | 0 | 110 | T487 S488 I493 N494 S495 | T487-I491 WeakPolarHBondContact O-CB 3.32Å; T487-I491 WeakPolarHBondContact O-CD1 3.26Å; T487-I491 WeakPolarHBondContact O-CG1 3.44Å; T487-I491 PolarHBondContact O-N 3.18Å; S488-I491 PolarHBondContact O-N 2.94Å; I491-I493 PolarHBondContact O-N 3.1Å; I491-N494 PolarHBondContact O-N 3.35Å; I491-S495 VanDerWaalsContact O-CB 3.24Å; I491-S495 WeakPolarHBondContact O-CB 3.3Å; I491-S495 PolarHBondContact O-N 3.25Å; I491-S495 PolarHBondContact O-OG 2.79Å |
| 492 | D | 56.4 | Low | 57.4 | Low | 91 Ų | 91 | 108.2 Ų | 108.2 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 176.5 | -67.2 | -32 | 0 | 0 | 0 | 110.5 | S488 K489 S495 A496 | S488-D492 WeakPolarHBondContact O-CB 3.36Å; S488-D492 PolarHBondContact O-N 3.4Å; K489-D492 PolarHBondContact O-N 2.93Å; D492-S495 PolarHBondContact O-N 3.43Å; D492-S495 PolarHBondContact O-OG 2.9Å; D492-A496 WeakPolarHBondContact O-CB 3.43Å; D492-A496 PolarHBondContact O-N 3.48Å |
| 493 | I | 58.3 | Low | 57.9 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 174.7 | -66.8 | 161.9 | 0 | 0 | 0 | 111.4 | K489 V490 I491 S495 A496 E497 | K489-I493 WeakPolarHBondContact O-CD1 3.17Å; K489-I493 WeakPolarHBondContact O-CG1 3.42Å; K489-I493 PolarHBondContact O-N 2.78Å; V490-I493 PolarHBondContact O-N 3.2Å; I491-I493 PolarHBondContact O-N 3.1Å; I493-S495 VanDerWaalsContact C-N 3.28Å; I493-S495 PolarHBondContact O-N 2.74Å; I493-A496 WeakPolarHBondContact O-CB 3.2Å; I493-A496 PolarHBondContact O-N 3.32Å; I493-E497 WeakPolarHBondContact O-CG 3.18Å; I493-E497 PolarHBondContact O-N 3.04Å |
| 494 | N | 51.2 | Low | 58.1 | Low | 82 Ų | 82 | 111.3 Ų | 111.3 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66 | -30.9 | -179.6 | -75.5 | -19 | 0 | 0 | 0 | 112.7 | V490 I491 K498 | V490-N494 WeakPolarHBondContact O-CB 3.18Å; V490-N494 PolarHBondContact O-N 3.17Å; V490-N494 PolarHBondContact O-ND2 2.87Å; I491-N494 PolarHBondContact O-N 3.35Å; N494-K498 WeakPolarHBondContact O-CB 3.2Å; N494-K498 WeakPolarHBondContact O-CG 3.35Å; N494-K498 PolarHBondContact O-N 2.82Å |
| 495 | S | 61.2 | Low | 58.1 | Low | 59 Ų | 59 | 110.7 Ų | 110.7 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.1 | -40.7 | 175.1 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | I491 D492 I493 K498 Q499 | I491-S495 VanDerWaalsContact O-CB 3.24Å; I491-S495 WeakPolarHBondContact O-CB 3.3Å; I491-S495 PolarHBondContact O-N 3.25Å; I491-S495 PolarHBondContact O-OG 2.79Å; D492-S495 PolarHBondContact O-N 3.43Å; D492-S495 PolarHBondContact O-OG 2.9Å; I493-S495 VanDerWaalsContact C-N 3.28Å; I493-S495 PolarHBondContact O-N 2.74Å; S495-K498 PolarHBondContact O-N 3.23Å; S495-Q499 WeakPolarHBondContact O-CB 3.26Å; S495-Q499 PolarHBondContact O-N 3.39Å |
| 496 | A | 61.9 | Low | 58.2 | Low | 55 Ų | 55 | 106.9 Ų | 106.9 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.7 | -45.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D492 I493 Q499 Q500 | D492-A496 WeakPolarHBondContact O-CB 3.43Å; D492-A496 PolarHBondContact O-N 3.48Å; I493-A496 WeakPolarHBondContact O-CB 3.2Å; I493-A496 PolarHBondContact O-N 3.32Å; A496-Q499 PolarHBondContact O-N 3.05Å; A496-Q500 WeakPolarHBondContact O-CB 3.09Å; A496-Q500 PolarHBondContact O-N 3.48Å |
| 497 | E | 65.7 | Low | 58.6 | Low | 114 Ų | 114 | 109.6 Ų | 109.6 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -43.4 | 176.3 | -73.2 | -177 | 167.6 | 0 | 0 | 112.5 | I493 Q499 Q500 A501 | I493-E497 WeakPolarHBondContact O-CG 3.18Å; I493-E497 PolarHBondContact O-N 3.04Å; E497-Q499 VanDerWaalsContact C-N 3.35Å; E497-Q499 PolarHBondContact O-N 3.15Å; E497-Q500 PolarHBondContact O-N 3.45Å; E497-A501 WeakPolarHBondContact O-CB 3.28Å; E497-A501 PolarHBondContact O-N 3.02Å |
| 498 | K | 64.7 | Low | 59 | Low | 162 Ų | 162 | 111.4 Ų | 111.4 | 70% | 0.704 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.4 | -38.1 | 175.5 | -83.3 | -178.5 | 177.4 | 179 | 0 | 112.4 | N494 S495 A501 R502 | N494-K498 WeakPolarHBondContact O-CB 3.2Å; N494-K498 WeakPolarHBondContact O-CG 3.35Å; N494-K498 PolarHBondContact O-N 2.82Å; S495-K498 PolarHBondContact O-N 3.23Å; K498-A501 PolarHBondContact O-N 3.49Å; K498-R502 WeakPolarHBondContact O-CB 3.36Å; K498-R502 PolarHBondContact O-N 3.45Å |
| 499 | Q | 63.4 | Low | 59.3 | Low | 114 Ų | 114 | 114.5 Ų | 114.5 | 53% | 0.533 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.7 | -39.9 | 176.3 | -155.8 | 80 | -0.5 | 0 | 0 | 110.7 | S495 A496 E497 R502 N503 | S495-Q499 WeakPolarHBondContact O-CB 3.26Å; S495-Q499 PolarHBondContact O-N 3.39Å; A496-Q499 PolarHBondContact O-N 3.05Å; E497-Q499 VanDerWaalsContact C-N 3.35Å; E497-Q499 PolarHBondContact O-N 3.15Å; Q499-R502 PolarHBondContact O-N 3.07Å; Q499-N503 PolarHBondContact O-N 3.12Å |
| 500 | Q | 65.2 | Low | 60 | Low | 121 Ų | 121 | 112.4 Ų | 112.4 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.7 | -33.9 | 177.2 | -149 | 171.2 | 7.4 | 0 | 0 | 112 | A496 E497 K504 | A496-Q500 WeakPolarHBondContact O-CB 3.09Å; A496-Q500 PolarHBondContact O-N 3.48Å; E497-Q500 PolarHBondContact O-N 3.45Å; Q500-K504 WeakPolarHBondContact O-CG 3.42Å; Q500-K504 PolarHBondContact O-N 3Å |
| 501 | A | 65.6 | Low | 60.4 | Low | 58 Ų | 58 | 114.7 Ų | 114.7 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.9 | -40.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E497 K498 N503 K504 | E497-A501 WeakPolarHBondContact O-CB 3.28Å; E497-A501 PolarHBondContact O-N 3.02Å; K498-A501 PolarHBondContact O-N 3.49Å; A501-N503 VanDerWaalsContact C-N 3.33Å; A501-N503 PolarHBondContact O-N 3.32Å; A501-K504 PolarHBondContact O-N 2.66Å |
| 502 | R | 60 | Low | 61.1 | Low | 189 Ų | 189 | 115.1 Ų | 115.1 | 71% | 0.713 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.5 | -31.9 | 176.6 | -120 | -179.8 | -176.3 | -179.5 | -0.2 | 113.6 | K498 Q499 K504 T505 | K498-R502 WeakPolarHBondContact O-CB 3.36Å; K498-R502 PolarHBondContact O-N 3.45Å; Q499-R502 PolarHBondContact O-N 3.07Å; R502-K504 VanDerWaalsContact C-N 3.28Å; R502-T505 PolarHBondContact O-OG1 3.38Å; R502-T505 VanDerWaalsContact O-OG1 3.1Å; R502-T505 VanDerWaalsContact O-OXT 3.04Å |
| 503 | N | 64.7 | Low | 61.5 | Low | 130 Ų | 130 | 116.9 Ų | 116.9 | 70% | 0.695 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -10.3 | 177.1 | -71.3 | -4.5 | 0 | 0 | 0 | 113 | Q499 A501 | Q499-N503 PolarHBondContact O-N 3.12Å; A501-N503 VanDerWaalsContact C-N 3.33Å; A501-N503 PolarHBondContact O-N 3.32Å |
| 504 | K | 64.4 | Low | 61.7 | Low | 173 Ų | 173 | 118.7 Ų | 118.7 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -7.8 | 176.8 | -76.7 | -178.9 | 178.9 | -174.8 | 0 | 113.5 | Q500 A501 R502 | Q500-K504 WeakPolarHBondContact O-CG 3.42Å; Q500-K504 PolarHBondContact O-N 3Å; A501-K504 PolarHBondContact O-N 2.66Å; R502-K504 VanDerWaalsContact C-N 3.28Å |
| 505 | T | 52.9 | Low | 62.7 | Low | 167 Ų | 167 | 122 Ų | 122 | 100% | 1.025 | 62% | 0.624 | S | S | * | * | trans | -105.7 | 0 | 169.9 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | R502 | R502-T505 PolarHBondContact O-OG1 3.38Å; R502-T505 VanDerWaalsContact O-OG1 3.1Å; R502-T505 VanDerWaalsContact O-OXT 3.04Å |
Retrieved 505 of 505 residues in 213.6 ms
(Link to these results)