| 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 | 79.3 | Confident | 88.5 | Confident | 205 Ų | 205 | 70.5 Ų | 70.5 | 100% | 1.01 | 33% | 0.333 | S | S | * | . | 0 | 134.6 | 0 | -169 | 172.6 | -93.6 | 0 | 0 | 108.8 | N26 | M1-N26 PolarHBondContact O-N 3.12Š| |||
| 2 | S | 85.5 | Confident | 87.9 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 137.8 | 172 | 38.5 | 0 | 0 | 0 | 0 | 109.7 | E5 L24 | S2-E5 WeakPolarHBondContact CB-OE2 3.43Å; S2-E5 PolarHBondContact OG-OE2 3.2Å; S2-L24 CarbonylContact C-O 3.51Å; S2-L24 VanDerWaalsContact CA-O 3.32Å; S2-L24 WeakPolarHBondContact CA-O 3.31Å |
| 3 | I | 88.6 | Confident | 86.7 | Confident | 55 Ų | 55 | 72.8 Ų | 72.8 | 28% | 0.282 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -41.6 | 170.3 | -62.4 | 174.5 | 0 | 0 | 0 | 109.2 | L24 N26 A108 L112 | I3-L24 HydrophobicContact CB-CD2 4.49Å; I3-L24 PolarHBondContact N-O 3.01Å; I3-N26 HydrophobicContact CD1-CB 4.36Å; I3-N26 HydrophobicContact CG1-CB 4.07Å; I3-A108 HydrophobicContact CG2-CB 3.88Å; I3-L112 HydrophobicContact CD1-CD1 4.17Å; I3-L112 HydrophobicContact CD1-CD2 3.32Å; I3-L112 HydrophobicContact CD1-CG 3.53Å |
| 4 | R | 90.7 | Very high | 85.6 | Confident | 93 Ų | 93 | 83 Ų | 83 | 35% | 0.351 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 140.8 | -179.1 | -170 | 67.8 | -178.8 | -174.1 | -0.8 | 109.7 | L24 S104 W105 A108 | R4-L24 HydrophobicContact CB-CB 4.41Å; R4-L24 PolarHBondContact N-O 3.31Å; R4-L24 PolarHBondContact O-N 3.2Å; R4-S104 PolarHBondContact NE-OG 3.08Å; R4-S104 PolarHBondContact NH1-OG 3.03Å; R4-S104 PolarHBondContact NH2-OG 3.18Å; R4-W105 HydrophobicContact CB-CE3 4.29Å; R4-W105 HydrophobicContact CB-CH2 4.44Å; R4-W105 HydrophobicContact CB-CZ3 4.11Å; R4-W105 HydrophobicContact CG-CD2 3.96Å; R4-W105 HydrophobicContact CG-CE3 3.97Å; R4-W105 HydrophobicContact CG-CH2 4.13Å; R4-W105 HydrophobicContact CG-CZ2 4.13Å; R4-W105 HydrophobicContact CG-CZ3 4.05Å; R4-A108 HydrophobicContact CB-CB 3.87Å; R4-A108 HydrophobicContact CG-CB 4.46Å |
| 5 | E | 93.6 | Very high | 84.7 | Confident | 81 Ų | 81 | 87.1 Ų | 87.1 | 38% | 0.379 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 157.1 | 171.2 | 56 | -176.2 | -124.5 | 0 | 0 | 110.9 | S2 Y21 C22 K23 | S2-E5 WeakPolarHBondContact CB-OE2 3.43Å; S2-E5 PolarHBondContact OG-OE2 3.2Å; E5-Y21 HydrophobicContact CB-CE1 4.06Å; E5-Y21 VanDerWaalsContact CG-OH 3.3Å; E5-Y21 WeakPolarHBondContact CG-OH 3.31Å; E5-Y21 PolarHBondContact OE1-OH 3Å; E5-C22 CarbonylContact C-O 3.58Å; E5-C22 WeakPolarHBondContact CA-O 3.33Å; E5-C22 WeakPolarHBondContact CB-O 3.19Å; E5-K23 HydrophobicContact CB-CG 3.95Å |
| 6 | G | 92.8 | Very high | 84.4 | Confident | 18 Ų | 18 | 88.1 Ų | 88.1 | 19% | 0.186 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.3 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C22 | G6-C22 PolarHBondContact N-O 3.06Å; G6-C22 PolarHBondContact O-N 2.84Å |
| 7 | Y | 92.4 | Very high | 84.2 | Confident | 119 Ų | 119 | 86.4 Ų | 86.4 | 47% | 0.467 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 132.4 | 177.2 | -74.3 | -84.7 | 0 | 0 | 0 | 111.4 | V20 Y21 A36 | Y7-V20 WeakPolarHBondContact CA-O 3.22Å; Y7-Y21 HydrophobicContact CD1-CD2 4.22Å; Y7-Y21 AromaticContact CD2-CD2 3.84Å; Y7-Y21 HydrophobicContact CD2-CD2 3.84Å; Y7-Y21 HydrophobicContact CD2-CE2 4.23Å; Y7-Y21 HydrophobicContact CE1-CD2 4.1Å; Y7-Y21 AromaticContact CE2-CD2 3.67Å; Y7-Y21 HydrophobicContact CE2-CD2 3.67Å; Y7-Y21 HydrophobicContact CE2-CE2 4.07Å; Y7-Y21 HydrophobicContact CG-CD2 4.12Å; Y7-Y21 AromaticContact CZ-CD2 3.83Å; Y7-A36 PolarHBondContact OH-N 3.06Å |
| 8 | L | 90.9 | Very high | 84.4 | Confident | 3 Ų | 3 | 85.4 Ų | 85.4 | 2% | 0.016 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.7 | 171.8 | -68.5 | -179.9 | 0 | 0 | 0 | 109.6 | S19 V20 C22 F79 F94 C96 T101 W105 | L8-S19 CarbonylContact O-C 3.55Å; L8-S19 WeakPolarHBondContact O-CA 3.1Å; L8-V20 PolarHBondContact N-O 3.25Å; L8-V20 WeakPolarHBondContact O-CG2 3.32Å; L8-V20 PolarHBondContact O-N 3.46Å; L8-C22 HydrophobicContact CD1-CB 4.11Å; L8-F79 HydrophobicContact CD1-CE1 3.95Å; L8-F79 HydrophobicContact CD1-CZ 3.62Å; L8-F94 HydrophobicContact CB-CD1 4.34Å; L8-F94 HydrophobicContact CD1-CB 4.3Å; L8-F94 HydrophobicContact CD1-CD1 4.38Å; L8-C96 HydrophobicContact CD2-CB 4.48Å; L8-T101 HydrophobicContact CD2-CG2 4.19Å; L8-W105 HydrophobicContact CD1-CD2 4.24Å; L8-W105 HydrophobicContact CD1-CZ2 3.9Å; L8-W105 HydrophobicContact CG-CZ2 4.19Å |
| 9 | K | 88.3 | Confident | 84.7 | Confident | 106 Ų | 106 | 84.8 Ų | 84.8 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.4 | 169.8 | -70.8 | -179.3 | -179.2 | 175.2 | 0 | 108.4 | W17 H18 F94 A95 | K9-W17 HydrophobicContact CB-CB 4.45Å; K9-W17 HydrophobicContact CB-CE3 3.85Å; K9-W17 WeakPolarHBondContact O-CZ3 3.47Å; K9-H18 CarbonylContact C-O 3.53Å; K9-H18 WeakPolarHBondContact CA-O 3.43Å; K9-F94 CarbonylContact O-C 3.5Å; K9-F94 VanDerWaalsContact O-CA 3.23Å; K9-F94 WeakPolarHBondContact O-CA 3.47Å; K9-A95 HydrophobicContact CB-CB 4.22Å; K9-A95 PolarHBondContact N-O 3.36Å; K9-A95 PolarHBondContact O-N 3.23Å |
| 10 | K | 88.5 | Confident | 85.1 | Confident | 23 Ų | 23 | 80.7 Ų | 80.7 | 10% | 0.1 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 138.7 | 174.4 | 176.9 | 176.9 | 177 | -65.7 | 0 | 110.4 | W17 H18 V20 W93 F94 | K10-W17 VanDerWaalsContact C-CE3 3.43Å; K10-W17 WeakPolarHBondContact O-CA 3.17Å; K10-H18 PolarHBondContact N-O 3.31Å; K10-H18 PolarHBondContact O-N 3.44Å; K10-V20 HydrophobicContact CB-CB 4.5Å; K10-V20 HydrophobicContact CB-CG1 3.97Å; K10-V20 HydrophobicContact CB-CG2 3.63Å; K10-V20 HydrophobicContact CD-CG1 4.35Å; K10-W93 VanDerWaalsContact CA-O 3.31Å; K10-W93 WeakPolarHBondContact CA-O 3.37Å; K10-F94 HydrophobicContact CB-CD1 4.06Å; K10-F94 HydrophobicContact CB-CE1 4.01Å; K10-F94 HydrophobicContact CD-CE1 3.95Å; K10-F94 HydrophobicContact CD-CZ 4.24Å; K10-F94 HydrophobicContact CG-CD1 4.4Å; K10-F94 HydrophobicContact CG-CE1 4.05Å |
| 11 | W | 83.4 | Confident | 85.5 | Confident | 29 Ų | 29 | 78.1 Ų | 78.1 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 132.6 | 170.6 | -172 | -120.5 | 0 | 0 | 0 | 110.3 | K15 W17 P67 S69 W93 | W11-K15 HydrophobicContact CH2-CB 3.71Å; W11-K15 WeakPolarHBondContact CH2-O 3.5Å; W11-K15 HydrophobicContact CZ2-CB 3.74Å; W11-K15 HydrophobicContact CZ2-CG 4.09Å; W11-K15 VanDerWaalsContact CZ3-O 3.22Å; W11-K15 WeakPolarHBondContact CZ3-O 3.42Å; W11-W17 HydrophobicContact CB-CE3 4.18Å; W11-W17 HydrophobicContact CB-CH2 4.09Å; W11-W17 HydrophobicContact CB-CZ2 4.42Å; W11-W17 HydrophobicContact CB-CZ3 3.94Å; W11-W17 AromaticContact CE3-CD1 3.67Å; W11-W17 AromaticContact CE3-CD2 3.8Å; W11-W17 HydrophobicContact CE3-CD2 3.8Å; W11-W17 AromaticContact CE3-CE2 3.61Å; W11-W17 AromaticContact CE3-CG 3.87Å; W11-W17 HydrophobicContact CE3-CG 3.87Å; W11-W17 HydrophobicContact CE3-CZ2 4.24Å; W11-W17 AromaticContact CE3-NE1 3.49Å; W11-W17 AromaticContact CZ3-CD1 3.61Å; W11-W17 HydrophobicContact CZ3-CG 4.21Å; W11-W17 AromaticContact CZ3-NE1 3.58Å; W11-P67 HydrophobicContact CB-CB 4.48Å; W11-P67 HydrophobicContact CD2-CB 3.49Å; W11-P67 VanDerWaalsContact CD2-CB 3.49Å; W11-P67 HydrophobicContact CE3-CB 3.83Å; W11-P67 HydrophobicContact CG-CB 3.83Å; W11-P67 HydrophobicContact CH2-CB 4.26Å; W11-P67 HydrophobicContact CZ2-CB 3.93Å; W11-P67 HydrophobicContact CZ3-CB 4.25Å; W11-S69 WeakPolarHBondContact CH2-OG 3.29Å; W11-S69 WeakPolarHBondContact CZ3-OG 3.24Å; W11-W93 HydrophobicContact CB-CB 3.8Å; W11-W93 PolarHBondContact N-O 3.19Å |
| 12 | S | 80.5 | Confident | 86.2 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | trans | -105.2 | 156.4 | 174.2 | 64.2 | 0 | 0 | 0 | 0 | 111.3 | R14 K15 N16 | S12-R14 PolarHBondContact O-N 2.77Å; S12-K15 PolarHBondContact O-N 3.31Å; S12-N16 PolarHBondContact N-O 2.82Å; S12-N16 PolarHBondContact OG-N 2.91Å; S12-N16 PolarHBondContact OG-O 3.18Å | ||
| 13 | D | 72.3 | Confident | 86.6 | Confident | 152 Ų | 152 | 68.8 Ų | 68.8 | 81% | 0.813 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.4 | 173.3 | -53.2 | -34.4 | 0 | 0 | 0 | 112.3 | K15 | D13-K15 PolarHBondContact O-N 2.96Š|
| 14 | R | 71 | Confident | 86.7 | Confident | 215 Ų | 215 | 66.2 Ų | 66.2 | 81% | 0.811 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 11 | 173.3 | -61.2 | -170 | 179.6 | -146.6 | 0.7 | 113.7 | S12 N16 | S12-R14 PolarHBondContact O-N 2.77Å; R14-N16 PolarHBondContact O-N 3.14Å; R14-N16 PolarHBondContact O-ND2 3.04Å |
| 15 | K | 72.1 | Confident | 86.8 | Confident | 144 Ų | 144 | 63.4 Ų | 63.4 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 56.6 | 33.3 | -178.8 | -56.1 | -179 | -179.9 | -179.5 | 0 | 114 | W11 S12 D13 | W11-K15 HydrophobicContact CH2-CB 3.71Å; W11-K15 WeakPolarHBondContact CH2-O 3.5Å; W11-K15 HydrophobicContact CZ2-CB 3.74Å; W11-K15 HydrophobicContact CZ2-CG 4.09Å; W11-K15 VanDerWaalsContact CZ3-O 3.22Å; W11-K15 WeakPolarHBondContact CZ3-O 3.42Å; S12-K15 PolarHBondContact O-N 3.31Å; D13-K15 PolarHBondContact O-N 2.96Å |
| 16 | N | 79.9 | Confident | 86.5 | Confident | 104 Ų | 104 | 63.1 Ų | 63.1 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | trans | -126.7 | 144.1 | 176.9 | -69.6 | -45.4 | 0 | 0 | 0 | 110.3 | S12 R14 | S12-N16 PolarHBondContact N-O 2.82Å; S12-N16 PolarHBondContact OG-N 2.91Å; S12-N16 PolarHBondContact OG-O 3.18Å; R14-N16 PolarHBondContact O-N 3.14Å; R14-N16 PolarHBondContact O-ND2 3.04Å | ||
| 17 | W | 82.3 | Confident | 86.2 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.8 | 167.9 | -68.6 | 99.1 | 0 | 0 | 0 | 109.6 | K9 K10 W11 P67 S69 Q70 W93 A95 | K9-W17 HydrophobicContact CB-CB 4.45Å; K9-W17 HydrophobicContact CB-CE3 3.85Å; K9-W17 WeakPolarHBondContact O-CZ3 3.47Å; K10-W17 VanDerWaalsContact C-CE3 3.43Å; K10-W17 WeakPolarHBondContact O-CA 3.17Å; W11-W17 HydrophobicContact CB-CE3 4.18Å; W11-W17 HydrophobicContact CB-CH2 4.09Å; W11-W17 HydrophobicContact CB-CZ2 4.42Å; W11-W17 HydrophobicContact CB-CZ3 3.94Å; W11-W17 AromaticContact CE3-CD1 3.67Å; W11-W17 AromaticContact CE3-CD2 3.8Å; W11-W17 HydrophobicContact CE3-CD2 3.8Å; W11-W17 AromaticContact CE3-CE2 3.61Å; W11-W17 AromaticContact CE3-CG 3.87Å; W11-W17 HydrophobicContact CE3-CG 3.87Å; W11-W17 HydrophobicContact CE3-CZ2 4.24Å; W11-W17 AromaticContact CE3-NE1 3.49Å; W11-W17 AromaticContact CZ3-CD1 3.61Å; W11-W17 HydrophobicContact CZ3-CG 4.21Å; W11-W17 AromaticContact CZ3-NE1 3.58Å; W17-P67 HydrophobicContact CH2-CB 4.3Å; W17-P67 HydrophobicContact CH2-CG 4.03Å; W17-P67 HydrophobicContact CZ2-CB 3.52Å; W17-P67 HydrophobicContact CZ2-CG 3.52Å; W17-S69 PolarHBondContact NE1-OG 3.26Å; W17-Q70 HydrophobicContact CZ2-CB 4.37Å; W17-Q70 HydrophobicContact CZ2-CG 4.28Å; W17-W93 HydrophobicContact CH2-CB 4.25Å; W17-A95 HydrophobicContact CE3-CB 4.15Å; W17-A95 HydrophobicContact CH2-CB 3.82Å; W17-A95 HydrophobicContact CZ2-CB 4.43Å; W17-A95 HydrophobicContact CZ3-CB 3.67Å |
| 18 | H | 87.3 | Confident | 86 | Confident | 68 Ų | 68 | 60.8 Ų | 60.8 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 150.4 | 172.6 | 63.1 | 72.3 | 0 | 0 | 0 | 110.2 | K9 K10 V20 | K9-H18 CarbonylContact C-O 3.53Å; K9-H18 WeakPolarHBondContact CA-O 3.43Å; K10-H18 PolarHBondContact N-O 3.31Å; K10-H18 PolarHBondContact O-N 3.44Å; H18-V20 WeakPolarHBondContact CE1-CG1 3.47Å; H18-V20 WeakPolarHBondContact ND1-CG1 3.5Å |
| 19 | S | 90.1 | Very high | 86 | Confident | 75 Ų | 75 | 65.1 Ų | 65.1 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 141 | 174.9 | -59.1 | 0 | 0 | 0 | 0 | 110.3 | L8 | L8-S19 CarbonylContact O-C 3.55Å; L8-S19 WeakPolarHBondContact O-CA 3.1Å |
| 20 | V | 92.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 149.4 | 170.2 | -69 | 0 | 0 | 0 | 0 | 108.6 | Y7 L8 K10 H18 W32 F33 F94 | Y7-V20 WeakPolarHBondContact CA-O 3.22Å; L8-V20 PolarHBondContact N-O 3.25Å; L8-V20 WeakPolarHBondContact O-CG2 3.32Å; L8-V20 PolarHBondContact O-N 3.46Å; K10-V20 HydrophobicContact CB-CB 4.5Å; K10-V20 HydrophobicContact CB-CG1 3.97Å; K10-V20 HydrophobicContact CB-CG2 3.63Å; K10-V20 HydrophobicContact CD-CG1 4.35Å; H18-V20 WeakPolarHBondContact CE1-CG1 3.47Å; H18-V20 WeakPolarHBondContact ND1-CG1 3.5Å; V20-W32 HydrophobicContact CB-CB 4.41Å; V20-W32 HydrophobicContact CG2-CB 4.36Å; V20-F33 WeakPolarHBondContact CB-O 3.29Å; V20-F94 HydrophobicContact CG2-CD1 4.36Å; V20-F94 HydrophobicContact CG2-CE1 4.13Å |
| 21 | Y | 93.8 | Very high | 86.4 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.7 | 172.7 | -168.3 | -101 | 0 | 0 | 0 | 109.4 | E5 Y7 K23 W32 F33 A36 | E5-Y21 HydrophobicContact CB-CE1 4.06Å; E5-Y21 VanDerWaalsContact CG-OH 3.3Å; E5-Y21 WeakPolarHBondContact CG-OH 3.31Å; E5-Y21 PolarHBondContact OE1-OH 3Å; Y7-Y21 HydrophobicContact CD1-CD2 4.22Å; Y7-Y21 AromaticContact CD2-CD2 3.84Å; Y7-Y21 HydrophobicContact CD2-CD2 3.84Å; Y7-Y21 HydrophobicContact CD2-CE2 4.23Å; Y7-Y21 HydrophobicContact CE1-CD2 4.1Å; Y7-Y21 AromaticContact CE2-CD2 3.67Å; Y7-Y21 HydrophobicContact CE2-CD2 3.67Å; Y7-Y21 HydrophobicContact CE2-CE2 4.07Å; Y7-Y21 HydrophobicContact CG-CD2 4.12Å; Y7-Y21 AromaticContact CZ-CD2 3.83Å; Y21-K23 HydrophobicContact CD1-CG 4.05Å; Y21-K23 HydrophobicContact CE1-CD 4.2Å; Y21-K23 HydrophobicContact CE1-CG 3.74Å; Y21-W32 CarbonylContact O-C 3.59Å; Y21-W32 VanDerWaalsContact O-CA 3.25Å; Y21-W32 WeakPolarHBondContact O-CA 3.35Å; Y21-F33 HydrophobicContact CD1-CD2 4.42Å; Y21-F33 PolarHBondContact N-O 2.83Å; Y21-F33 VanDerWaalsContact N-O 3.08Å; Y21-F33 WeakPolarHBondContact O-CD2 3.47Å; Y21-F33 PolarHBondContact O-N 3.36Å; Y21-A36 HydrophobicContact CD1-CB 4.25Å; Y21-A36 HydrophobicContact CD2-CB 3.82Å; Y21-A36 HydrophobicContact CE1-CB 4.41Å; Y21-A36 HydrophobicContact CE2-CB 3.98Å; Y21-A36 HydrophobicContact CG-CB 3.94Å |
| 22 | C | 93.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 143.9 | -179 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | E5 G6 L8 F30 Q31 W105 | E5-C22 CarbonylContact C-O 3.58Å; E5-C22 WeakPolarHBondContact CA-O 3.33Å; E5-C22 WeakPolarHBondContact CB-O 3.19Å; G6-C22 PolarHBondContact N-O 3.06Å; G6-C22 PolarHBondContact O-N 2.84Å; L8-C22 HydrophobicContact CD1-CB 4.11Å; C22-F30 HydrophobicContact CB-CE2 4.15Å; C22-F30 HydrophobicContact CB-CZ 3.87Å; C22-Q31 CarbonylContact C-O 3.51Å; C22-Q31 WeakPolarHBondContact CA-O 3.31Å; C22-W105 HydrophobicContact CB-CH2 3.59Å; C22-W105 HydrophobicContact CB-CZ2 3.9Å; C22-W105 HydrophobicContact CB-CZ3 4.48Å |
| 23 | K | 93.5 | Very high | 87.4 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 24% | 0.235 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 123.8 | 172.5 | -64.2 | -174.3 | 177.7 | 173.6 | 0 | 109.1 | E5 Y21 Q31 F33 | E5-K23 HydrophobicContact CB-CG 3.95Å; Y21-K23 HydrophobicContact CD1-CG 4.05Å; Y21-K23 HydrophobicContact CE1-CD 4.2Å; Y21-K23 HydrophobicContact CE1-CG 3.74Å; K23-Q31 PolarHBondContact N-O 3.02Å; K23-Q31 PolarHBondContact O-N 3.46Å; K23-F33 HydrophobicContact CB-CE2 4.21Å; K23-F33 HydrophobicContact CD-CD2 4.44Å; K23-F33 HydrophobicContact CD-CE2 3.71Å; K23-F33 HydrophobicContact CD-CZ 4.2Å; K23-F33 HydrophobicContact CG-CD2 4.38Å; K23-F33 HydrophobicContact CG-CE2 3.9Å |
| 24 | L | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 114.6 | 165.2 | -175.7 | 67.4 | 0 | 0 | 0 | 108.4 | S2 I3 R4 F30 I47 W105 A108 L109 L112 | S2-L24 CarbonylContact C-O 3.51Å; S2-L24 VanDerWaalsContact CA-O 3.32Å; S2-L24 WeakPolarHBondContact CA-O 3.31Å; I3-L24 HydrophobicContact CB-CD2 4.49Å; I3-L24 PolarHBondContact N-O 3.01Å; R4-L24 HydrophobicContact CB-CB 4.41Å; R4-L24 PolarHBondContact N-O 3.31Å; R4-L24 PolarHBondContact O-N 3.2Å; L24-F30 HydrophobicContact CB-CD2 4.31Å; L24-F30 HydrophobicContact CD1-CB 4.03Å; L24-F30 HydrophobicContact CD1-CD2 4.04Å; L24-I47 HydrophobicContact CD1-CG1 4.08Å; L24-W105 HydrophobicContact CB-CZ3 3.9Å; L24-A108 HydrophobicContact CD2-CB 3.77Å; L24-L109 HydrophobicContact CD1-CD2 3.96Å; L24-L109 HydrophobicContact CD2-CD2 4.07Å; L24-L109 HydrophobicContact CD2-CG 4.35Å; L24-L112 HydrophobicContact CD1-CD1 3.52Å; L24-L112 HydrophobicContact CD2-CD1 3.74Å; L24-L112 HydrophobicContact CG-CD1 3.72Å |
| 25 | L | 91.5 | Very high | 89 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 18% | 0.183 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 148.6 | -179.3 | -60.7 | -178.4 | 0 | 0 | 0 | 110.9 | N27 G28 W29 Q31 | L25-N27 WeakPolarHBondContact CB-OD1 3.44Å; L25-N27 PolarHBondContact O-N 3.12Å; L25-N27 VanDerWaalsContact O-N 3.13Å; L25-G28 PolarHBondContact O-N 3.05Å; L25-W29 HydrophobicContact CB-CB 4.32Å; L25-W29 WeakPolarHBondContact CB-O 2.99Å; L25-W29 HydrophobicContact CD1-CB 4.13Å; L25-W29 PolarHBondContact N-O 3.28Å; L25-Q31 HydrophobicContact CD1-CG 4.34Å |
| 26 | N | 87.7 | Confident | 89.8 | Confident | 74 Ų | 74 | 45.6 Ų | 45.6 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.7 | -179.9 | -164 | 34.2 | 0 | 0 | 0 | 113.9 | M1 I3 G28 L112 Q115 | M1-N26 PolarHBondContact O-N 3.12Å; I3-N26 HydrophobicContact CD1-CB 4.36Å; I3-N26 HydrophobicContact CG1-CB 4.07Å; N26-G28 PolarHBondContact O-N 2.77Å; N26-L112 WeakPolarHBondContact O-CD2 3.37Å; N26-Q115 PolarHBondContact OD1-NE2 3.2Å; N26-Q115 PolarHBondContact OD1-OE1 2.63Å |
| 27 | N | 87.4 | Confident | 90.1 | Very high | 89 Ų | 89 | 45.6 Ų | 45.6 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 2.8 | 174.6 | 64.1 | -2.6 | 0 | 0 | 0 | 113.4 | L25 W29 | L25-N27 WeakPolarHBondContact CB-OD1 3.44Å; L25-N27 PolarHBondContact O-N 3.12Å; L25-N27 VanDerWaalsContact O-N 3.13Å; N27-W29 VanDerWaalsContact CG-CD1 3.44Å; N27-W29 PolarHBondContact OD1-N 2.83Å |
| 28 | G | 87.5 | Confident | 90.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 91.5 | 4.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L25 N26 I47 | L25-G28 PolarHBondContact O-N 3.05Å; N26-G28 PolarHBondContact O-N 2.77Å; G28-I47 WeakPolarHBondContact O-CB 3.41Å; G28-I47 PolarHBondContact O-N 3.24Å |
| 29 | W | 90.7 | Very high | 90 | Very high | 93 Ų | 93 | 48 Ų | 48 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127 | 176.2 | -73 | 84.4 | 0 | 0 | 0 | 111.4 | L25 N27 Q31 V45 E46 | L25-W29 HydrophobicContact CB-CB 4.32Å; L25-W29 WeakPolarHBondContact CB-O 2.99Å; L25-W29 HydrophobicContact CD1-CB 4.13Å; L25-W29 PolarHBondContact N-O 3.28Å; N27-W29 VanDerWaalsContact CG-CD1 3.44Å; N27-W29 PolarHBondContact OD1-N 2.83Å; W29-Q31 HydrophobicContact CB-CG 4.4Å; W29-V45 WeakPolarHBondContact CA-O 3.5Å; W29-E46 HydrophobicContact CD2-CB 4.27Å; W29-E46 HydrophobicContact CE3-CB 4.23Å; W29-E46 HydrophobicContact CH2-CB 4.16Å; W29-E46 HydrophobicContact CZ2-CB 4.16Å; W29-E46 HydrophobicContact CZ3-CB 4.18Å |
| 30 | F | 91.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.7 | 168 | -177.6 | -94.2 | 0 | 0 | 0 | 109.2 | C22 L24 W32 S44 V45 I47 F79 I81 F94 W105 | C22-F30 HydrophobicContact CB-CE2 4.15Å; C22-F30 HydrophobicContact CB-CZ 3.87Å; L24-F30 HydrophobicContact CB-CD2 4.31Å; L24-F30 HydrophobicContact CD1-CB 4.03Å; L24-F30 HydrophobicContact CD1-CD2 4.04Å; F30-W32 AromaticContact CD1-CE3 3.84Å; F30-W32 HydrophobicContact CD1-CE3 3.84Å; F30-W32 HydrophobicContact CD1-CZ3 4.02Å; F30-W32 AromaticContact CE1-CE3 3.78Å; F30-W32 HydrophobicContact CE1-CE3 3.78Å; F30-W32 HydrophobicContact CE1-CZ3 4.2Å; F30-S44 WeakPolarHBondContact O-CA 3.43Å; F30-V45 PolarHBondContact N-O 3.3Å; F30-V45 PolarHBondContact O-N 2.9Å; F30-I47 HydrophobicContact CB-CD1 3.47Å; F30-I47 VanDerWaalsContact CB-CD1 3.47Å; F30-I47 HydrophobicContact CB-CG1 3.42Å; F30-I47 VanDerWaalsContact CB-CG1 3.42Å; F30-I47 HydrophobicContact CG-CD1 4.14Å; F30-I47 HydrophobicContact CG-CG1 4.45Å; F30-F79 HydrophobicContact CZ-CE2 4.41Å; F30-F79 HydrophobicContact CZ-CZ 4.45Å; F30-I81 HydrophobicContact CD1-CD1 3.41Å; F30-I81 VanDerWaalsContact CD1-CD1 3.41Å; F30-I81 HydrophobicContact CD2-CD1 4.26Å; F30-I81 HydrophobicContact CE1-CD1 3.37Å; F30-I81 HydrophobicContact CE2-CD1 4.2Å; F30-I81 HydrophobicContact CG-CD1 3.87Å; F30-I81 HydrophobicContact CZ-CD1 3.78Å; F30-F94 HydrophobicContact CE1-CE1 4.17Å; F30-F94 AromaticContact CE1-CE2 3.89Å; F30-F94 HydrophobicContact CE1-CE2 3.89Å; F30-F94 AromaticContact CE1-CZ 3.7Å; F30-F94 HydrophobicContact CE1-CZ 3.7Å; F30-F94 HydrophobicContact CZ-CE1 4.47Å; F30-F94 HydrophobicContact CZ-CE2 4.46Å; F30-F94 HydrophobicContact CZ-CZ 4.36Å; F30-W105 HydrophobicContact CD2-CZ3 4.06Å; F30-W105 AromaticContact CE2-CE3 3.95Å; F30-W105 HydrophobicContact CE2-CE3 3.95Å; F30-W105 HydrophobicContact CE2-CH2 4.03Å; F30-W105 AromaticContact CE2-CZ3 3.45Å; F30-W105 HydrophobicContact CE2-CZ3 3.45Å; F30-W105 VanDerWaalsContact CE2-CZ3 3.45Å; F30-W105 HydrophobicContact CZ-CZ3 4.49Å |
| 31 | Q | 93.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144 | -174.3 | -54.3 | -173.8 | -31.5 | 0 | 0 | 109.3 | C22 K23 L25 W29 F33 P41 Q43 S44 | C22-Q31 CarbonylContact C-O 3.51Å; C22-Q31 WeakPolarHBondContact CA-O 3.31Å; K23-Q31 PolarHBondContact N-O 3.02Å; K23-Q31 PolarHBondContact O-N 3.46Å; L25-Q31 HydrophobicContact CD1-CG 4.34Å; W29-Q31 HydrophobicContact CB-CG 4.4Å; Q31-F33 HydrophobicContact CB-CE2 3.87Å; Q31-F33 HydrophobicContact CB-CZ 4.32Å; Q31-P41 HydrophobicContact CB-CB 4.07Å; Q31-Q43 WeakPolarHBondContact CA-O 3.47Å; Q31-S44 WeakPolarHBondContact CG-OG 3.37Å; Q31-S44 PolarHBondContact NE2-OG 2.83Å; Q31-S44 VanDerWaalsContact NE2-OG 3.15Å |
| 32 | W | 93.1 | Very high | 89.4 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.3 | 169.4 | 63.3 | 89.5 | 0 | 0 | 0 | 111.6 | V20 Y21 F30 P41 K42 Q43 V45 Y83 A92 F94 | V20-W32 HydrophobicContact CB-CB 4.41Å; V20-W32 HydrophobicContact CG2-CB 4.36Å; Y21-W32 CarbonylContact O-C 3.59Å; Y21-W32 VanDerWaalsContact O-CA 3.25Å; Y21-W32 WeakPolarHBondContact O-CA 3.35Å; F30-W32 AromaticContact CD1-CE3 3.84Å; F30-W32 HydrophobicContact CD1-CE3 3.84Å; F30-W32 HydrophobicContact CD1-CZ3 4.02Å; F30-W32 AromaticContact CE1-CE3 3.78Å; F30-W32 HydrophobicContact CE1-CE3 3.78Å; F30-W32 HydrophobicContact CE1-CZ3 4.2Å; W32-P41 CarbonylContact O-C 3.46Å; W32-P41 WeakPolarHBondContact O-CA 3.36Å; W32-K42 PolarHBondContact O-N 2.89Å; W32-Q43 HydrophobicContact CD2-CB 4Å; W32-Q43 VanDerWaalsContact CE2-CB 3.42Å; W32-Q43 HydrophobicContact CE3-CB 4.23Å; W32-Q43 HydrophobicContact CH2-CB 3.52Å; W32-Q43 HydrophobicContact CH2-CG 3.63Å; W32-Q43 HydrophobicContact CZ2-CB 3.21Å; W32-Q43 HydrophobicContact CZ2-CG 3.73Å; W32-Q43 HydrophobicContact CZ3-CB 4Å; W32-Q43 HydrophobicContact CZ3-CG 4.25Å; W32-Q43 PolarHBondContact N-O 3.4Å; W32-Q43 VanDerWaalsContact N-O 3.12Å; W32-Q43 PolarHBondContact O-N 3.2Å; W32-V45 HydrophobicContact CH2-CG2 4.06Å; W32-V45 HydrophobicContact CZ3-CG2 3.91Å; W32-Y83 AromaticContact CH2-CD1 3.96Å; W32-Y83 HydrophobicContact CH2-CD1 3.96Å; W32-Y83 AromaticContact CH2-CE1 3.42Å; W32-Y83 HydrophobicContact CH2-CE1 3.42Å; W32-Y83 VanDerWaalsContact CH2-CE1 3.42Å; W32-Y83 HydrophobicContact CZ2-CD1 4.4Å; W32-Y83 AromaticContact CZ2-CE1 3.46Å; W32-Y83 HydrophobicContact CZ2-CE1 3.46Å; W32-Y83 VanDerWaalsContact CZ2-CE1 3.46Å; W32-Y83 AromaticContact CZ2-CZ 3.98Å; W32-A92 HydrophobicContact CH2-CB 3.88Å; W32-A92 HydrophobicContact CZ2-CB 4.12Å; W32-F94 HydrophobicContact CD2-CE1 4.34Å; W32-F94 AromaticContact CD2-CZ 3.95Å; W32-F94 HydrophobicContact CD2-CZ 3.95Å; W32-F94 HydrophobicContact CE3-CE1 4.47Å; W32-F94 AromaticContact CE3-CZ 3.77Å; W32-F94 HydrophobicContact CE3-CZ 3.77Å; W32-F94 HydrophobicContact CG-CE1 4.43Å; W32-F94 HydrophobicContact CG-CZ 4.5Å; W32-F94 HydrophobicContact CH2-CZ 4.31Å; W32-F94 HydrophobicContact CZ2-CZ 4.48Å; W32-F94 AromaticContact CZ3-CZ 3.98Å; W32-F94 HydrophobicContact CZ3-CZ 3.98Å |
| 33 | F | 92.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 159.3 | -173.1 | -60.4 | -100.2 | 0 | 0 | 0 | 108.5 | V20 Y21 K23 Q31 N35 S38 S40 P41 | V20-F33 WeakPolarHBondContact CB-O 3.29Å; Y21-F33 HydrophobicContact CD1-CD2 4.42Å; Y21-F33 PolarHBondContact N-O 2.83Å; Y21-F33 VanDerWaalsContact N-O 3.08Å; Y21-F33 WeakPolarHBondContact O-CD2 3.47Å; Y21-F33 PolarHBondContact O-N 3.36Å; K23-F33 HydrophobicContact CB-CE2 4.21Å; K23-F33 HydrophobicContact CD-CD2 4.44Å; K23-F33 HydrophobicContact CD-CE2 3.71Å; K23-F33 HydrophobicContact CD-CZ 4.2Å; K23-F33 HydrophobicContact CG-CD2 4.38Å; K23-F33 HydrophobicContact CG-CE2 3.9Å; Q31-F33 HydrophobicContact CB-CE2 3.87Å; Q31-F33 HydrophobicContact CB-CZ 4.32Å; F33-N35 WeakPolarHBondContact CB-O 3.16Å; F33-S38 WeakPolarHBondContact CD1-O 3.4Å; F33-S40 VanDerWaalsContact CD1-O 3.29Å; F33-S40 WeakPolarHBondContact CD1-O 3.45Å; F33-P41 HydrophobicContact CD1-CB 4.19Å; F33-P41 HydrophobicContact CE1-CB 3.76Å; F33-P41 HydrophobicContact CE1-CG 4.32Å; F33-P41 VanDerWaalsContact CE1-N 3.31Å; F33-P41 HydrophobicContact CE2-CB 4.24Å; F33-P41 HydrophobicContact CZ-CB 3.77Å; F33-P41 HydrophobicContact CZ-CG 4.39Å |
| 34 | E | 88.7 | Confident | 88.9 | Confident | 102 Ų | 102 | 57.4 Ų | 57.4 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -61.4 | -50.7 | 171 | -170.3 | 156.1 | 169.4 | 0 | 0 | 110.5 | K42 | E34-K42 HydrophobicContact CB-CD 4.29Å; E34-K42 IonicContact OE1-NZ 3.9Å; E34-K42 WeakPolarHBondContact OE2-CE 3.44Å; E34-K42 IonicContact OE2-NZ 2.75Å; E34-K42 PolarHBondContact OE2-NZ 3.47Å |
| 35 | N | 88.1 | Confident | 88.7 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -138.9 | 166.3 | 179.2 | -64.6 | -41.2 | 0 | 0 | 0 | 110.1 | F33 S37 S38 | F33-N35 WeakPolarHBondContact CB-O 3.16Å; N35-S37 PolarHBondContact O-N 3.22Å; N35-S38 PolarHBondContact N-OG 3.18Å; N35-S38 VanDerWaalsContact N-OG 3.14Å; N35-S38 WeakPolarHBondContact O-CB 3.3Å; N35-S38 PolarHBondContact O-N 3.44Å; N35-S38 VanDerWaalsContact O-N 3.08Å; N35-S38 PolarHBondContact O-OG 3.45Å |
| 36 | A | 88.4 | Confident | 88.5 | Confident | 46 Ų | 46 | 58 Ų | 58 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y7 Y21 | Y7-A36 PolarHBondContact OH-N 3.06Å; Y21-A36 HydrophobicContact CD1-CB 4.25Å; Y21-A36 HydrophobicContact CD2-CB 3.82Å; Y21-A36 HydrophobicContact CE1-CB 4.41Å; Y21-A36 HydrophobicContact CE2-CB 3.98Å; Y21-A36 HydrophobicContact CG-CB 3.94Å |
| 37 | S | 87.2 | Confident | 88.4 | Confident | 104 Ų | 104 | 54.5 Ų | 54.5 | 73% | 0.727 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -7.4 | 177.4 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | N35 T39 | N35-S37 PolarHBondContact O-N 3.22Å; S37-T39 PolarHBondContact O-N 3.3Å |
| 38 | S | 85.9 | Confident | 88.1 | Confident | 34 Ų | 34 | 54.9 Ų | 54.9 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | trans | -68.2 | 131.3 | -179.9 | -59 | 0 | 0 | 0 | 0 | 110.7 | F33 N35 | F33-S38 WeakPolarHBondContact CD1-O 3.4Å; N35-S38 PolarHBondContact N-OG 3.18Å; N35-S38 VanDerWaalsContact N-OG 3.14Å; N35-S38 WeakPolarHBondContact O-CB 3.3Å; N35-S38 PolarHBondContact O-N 3.44Å; N35-S38 VanDerWaalsContact O-N 3.08Å; N35-S38 PolarHBondContact O-OG 3.45Å | ||
| 39 | T | 81.5 | Confident | 87.8 | Confident | 143 Ų | 143 | 62.7 Ų | 62.7 | 88% | 0.877 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -78.8 | -25.8 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | S37 | S37-T39 PolarHBondContact O-N 3.3Š|
| 40 | S | 85.8 | Confident | 87.1 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -118.1 | 136.8 | -179.4 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | F33 | F33-S40 VanDerWaalsContact CD1-O 3.29Å; F33-S40 WeakPolarHBondContact CD1-O 3.45Å |
| 41 | P | 87.7 | Confident | 86.3 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 31% | 0.312 | 32% | 0.319 | S | S | . | . | trans | -70.7 | 138.7 | 174.1 | 28.8 | -32.5 | 0 | 0 | 0 | 109.9 | Q31 W32 F33 Q43 S44 | Q31-P41 HydrophobicContact CB-CB 4.07Å; W32-P41 CarbonylContact O-C 3.46Å; W32-P41 WeakPolarHBondContact O-CA 3.36Å; F33-P41 HydrophobicContact CD1-CB 4.19Å; F33-P41 HydrophobicContact CE1-CB 3.76Å; F33-P41 HydrophobicContact CE1-CG 4.32Å; F33-P41 VanDerWaalsContact CE1-N 3.31Å; F33-P41 HydrophobicContact CE2-CB 4.24Å; F33-P41 HydrophobicContact CZ-CB 3.77Å; F33-P41 HydrophobicContact CZ-CG 4.39Å; P41-Q43 PolarHBondContact O-N 3.36Å; P41-S44 WeakPolarHBondContact CG-OG 3.15Å | ||
| 42 | K | 88.7 | Confident | 84.9 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 47% | 0.47 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -62.7 | -34.7 | 169.7 | -81 | -171.2 | 162.3 | 168 | 0 | 111.2 | W32 E34 | W32-K42 PolarHBondContact O-N 2.89Å; E34-K42 HydrophobicContact CB-CD 4.29Å; E34-K42 IonicContact OE1-NZ 3.9Å; E34-K42 WeakPolarHBondContact OE2-CE 3.44Å; E34-K42 IonicContact OE2-NZ 2.75Å; E34-K42 PolarHBondContact OE2-NZ 3.47Å |
| 43 | Q | 87.7 | Confident | 83.7 | Confident | 81 Ų | 81 | 64.7 Ų | 64.7 | 38% | 0.379 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 153.6 | 171 | -163.4 | 78 | -50.1 | 0 | 0 | 110.6 | Q31 W32 P41 V45 Y83 | Q31-Q43 WeakPolarHBondContact CA-O 3.47Å; W32-Q43 HydrophobicContact CD2-CB 4Å; W32-Q43 VanDerWaalsContact CE2-CB 3.42Å; W32-Q43 HydrophobicContact CE3-CB 4.23Å; W32-Q43 HydrophobicContact CH2-CB 3.52Å; W32-Q43 HydrophobicContact CH2-CG 3.63Å; W32-Q43 HydrophobicContact CZ2-CB 3.21Å; W32-Q43 HydrophobicContact CZ2-CG 3.73Å; W32-Q43 HydrophobicContact CZ3-CB 4Å; W32-Q43 HydrophobicContact CZ3-CG 4.25Å; W32-Q43 PolarHBondContact N-O 3.4Å; W32-Q43 VanDerWaalsContact N-O 3.12Å; W32-Q43 PolarHBondContact O-N 3.2Å; P41-Q43 PolarHBondContact O-N 3.36Å; Q43-V45 HydrophobicContact CG-CG2 4.3Å; Q43-Y83 HydrophobicContact CB-CE1 4.28Å; Q43-Y83 HydrophobicContact CG-CD1 3.6Å; Q43-Y83 HydrophobicContact CG-CE1 3.54Å |
| 44 | S | 89.1 | Confident | 82.6 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 27% | 0.266 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.9 | 168.6 | -57.3 | 0 | 0 | 0 | 0 | 109.9 | F30 Q31 P41 | F30-S44 WeakPolarHBondContact O-CA 3.43Å; Q31-S44 WeakPolarHBondContact CG-OG 3.37Å; Q31-S44 PolarHBondContact NE2-OG 2.83Å; Q31-S44 VanDerWaalsContact NE2-OG 3.15Å; P41-S44 WeakPolarHBondContact CG-OG 3.15Å |
| 45 | V | 87.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.2 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | W29 F30 W32 Q43 I47 V50 I81 L82 Y83 | W29-V45 WeakPolarHBondContact CA-O 3.5Å; F30-V45 PolarHBondContact N-O 3.3Å; F30-V45 PolarHBondContact O-N 2.9Å; W32-V45 HydrophobicContact CH2-CG2 4.06Å; W32-V45 HydrophobicContact CZ3-CG2 3.91Å; Q43-V45 HydrophobicContact CG-CG2 4.3Å; V45-I47 PolarHBondContact O-N 2.67Å; V45-V50 HydrophobicContact CG1-CG1 4.15Å; V45-V50 HydrophobicContact CG1-CG2 3.67Å; V45-I81 HydrophobicContact CB-CG2 4.3Å; V45-I81 HydrophobicContact CG1-CG2 3.88Å; V45-I81 HydrophobicContact CG2-CG2 4.49Å; V45-L82 VanDerWaalsContact CG1-O 3.28Å; V45-L82 WeakPolarHBondContact CG1-O 3.18Å; V45-Y83 HydrophobicContact CG2-CD1 4.15Å |
| 46 | E | 87.2 | Confident | 80.1 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 102.4 | 173.3 | -169 | 179 | 173.6 | 0 | 0 | 109.9 | W29 R48 R49 V50 | W29-E46 HydrophobicContact CD2-CB 4.27Å; W29-E46 HydrophobicContact CE3-CB 4.23Å; W29-E46 HydrophobicContact CH2-CB 4.16Å; W29-E46 HydrophobicContact CZ2-CB 4.16Å; W29-E46 HydrophobicContact CZ3-CB 4.18Å; E46-R48 PolarHBondContact O-N 3.41Å; E46-R49 HydrophobicContact CB-CG 4.27Å; E46-R49 HydrophobicContact CG-CG 4.17Å; E46-R49 PolarHBondContact O-N 3.38Å; E46-R49 IonicContact OE1-NE 3.2Å; E46-R49 WeakPolarHBondContact OE2-CD 3.28Å; E46-R49 IonicContact OE2-CZ 3.24Å; E46-R49 VanDerWaalsContact OE2-CZ 3.24Å; E46-R49 IonicContact OE2-NE 2.65Å; E46-R49 PolarHBondContact OE2-NE 3.44Å; E46-R49 IonicContact OE2-NH2 3.98Å; E46-R49 PolarHBondContact OE2-NH2 3.26Å; E46-V50 PolarHBondContact O-N 3.35Å |
| 47 | I | 86.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.5 | -36 | -174.9 | -66.7 | -58.3 | 0 | 0 | 0 | 111.9 | L24 G28 F30 V45 R49 V50 A51 L54 I81 L109 F113 | L24-I47 HydrophobicContact CD1-CG1 4.08Å; G28-I47 WeakPolarHBondContact O-CB 3.41Å; G28-I47 PolarHBondContact O-N 3.24Å; F30-I47 HydrophobicContact CB-CD1 3.47Å; F30-I47 VanDerWaalsContact CB-CD1 3.47Å; F30-I47 HydrophobicContact CB-CG1 3.42Å; F30-I47 VanDerWaalsContact CB-CG1 3.42Å; F30-I47 HydrophobicContact CG-CD1 4.14Å; F30-I47 HydrophobicContact CG-CG1 4.45Å; V45-I47 PolarHBondContact O-N 2.67Å; I47-R49 PolarHBondContact O-N 3.09Å; I47-V50 HydrophobicContact CD1-CG2 4.27Å; I47-V50 CarbonylContact O-C 3.41Å; I47-V50 PolarHBondContact O-N 3.49Å; I47-V50 VanDerWaalsContact O-N 3.1Å; I47-A51 WeakPolarHBondContact O-CA 3.32Å; I47-A51 WeakPolarHBondContact O-CB 3.45Å; I47-A51 PolarHBondContact O-N 3.06Å; I47-L54 HydrophobicContact CG2-CD1 4.29Å; I47-I81 HydrophobicContact CD1-CD1 4.02Å; I47-I81 HydrophobicContact CD1-CG1 4.45Å; I47-I81 HydrophobicContact CD1-CG2 4.01Å; I47-L109 HydrophobicContact CD1-CD2 4.3Å; I47-L109 HydrophobicContact CG1-CD2 4.08Å; I47-L109 HydrophobicContact CG2-CD2 3.8Å; I47-F113 HydrophobicContact CG2-CE1 3.86Å; I47-F113 HydrophobicContact CG2-CZ 3.53Å |
| 48 | R | 81.9 | Confident | 76.6 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.1 | -28.1 | 178.9 | -66.2 | -177.7 | -180 | 172.1 | 1.8 | 113 | E46 | E46-R48 PolarHBondContact O-N 3.41Å |
| 49 | R | 80.9 | Confident | 75.1 | Confident | 163 Ų | 163 | 64.8 Ų | 64.8 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -82.2 | -29.9 | 176.1 | -63.4 | -168 | -169.6 | -166.1 | 6 | 113 | E46 I47 P85 | E46-R49 HydrophobicContact CB-CG 4.27Å; E46-R49 HydrophobicContact CG-CG 4.17Å; E46-R49 PolarHBondContact O-N 3.38Å; E46-R49 IonicContact OE1-NE 3.2Å; E46-R49 WeakPolarHBondContact OE2-CD 3.28Å; E46-R49 IonicContact OE2-CZ 3.24Å; E46-R49 VanDerWaalsContact OE2-CZ 3.24Å; E46-R49 IonicContact OE2-NE 2.65Å; E46-R49 PolarHBondContact OE2-NE 3.44Å; E46-R49 IonicContact OE2-NH2 3.98Å; E46-R49 PolarHBondContact OE2-NH2 3.26Å; I47-R49 PolarHBondContact O-N 3.09Å; R49-P85 HydrophobicContact CB-CG 4.39Å |
| 50 | V | 76.4 | Confident | 73.6 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -105 | 5.1 | -175.7 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | V45 E46 I47 S52 F53 L54 I81 L82 | V45-V50 HydrophobicContact CG1-CG1 4.15Å; V45-V50 HydrophobicContact CG1-CG2 3.67Å; E46-V50 PolarHBondContact O-N 3.35Å; I47-V50 HydrophobicContact CD1-CG2 4.27Å; I47-V50 CarbonylContact O-C 3.41Å; I47-V50 PolarHBondContact O-N 3.49Å; I47-V50 VanDerWaalsContact O-N 3.1Å; V50-S52 PolarHBondContact O-N 3.34Å; V50-F53 CarbonylContact O-C 3.48Å; V50-F53 WeakPolarHBondContact O-CA 3.18Å; V50-F53 PolarHBondContact O-N 2.87Å; V50-L54 PolarHBondContact O-N 2.87Å; V50-I81 HydrophobicContact CG2-CG2 4.16Å; V50-L82 HydrophobicContact CB-CB 4.42Å; V50-L82 HydrophobicContact CG1-CB 4.33Å |
| 51 | A | 73.5 | Confident | 71.8 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -52.2 | -41.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I47 F53 L54 F113 | I47-A51 WeakPolarHBondContact O-CA 3.32Å; I47-A51 WeakPolarHBondContact O-CB 3.45Å; I47-A51 PolarHBondContact O-N 3.06Å; A51-F53 PolarHBondContact O-N 3.46Å; A51-L54 PolarHBondContact O-N 2.87Å; A51-F113 HydrophobicContact CB-CD1 4.25Å; A51-F113 HydrophobicContact CB-CE1 3.36Å; A51-F113 HydrophobicContact CB-CZ 3.52Å |
| 52 | S | 65.6 | Low | 69.9 | Low | 77 Ų | 77 | 65.7 Ų | 65.7 | 54% | 0.538 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -62 | -12.8 | 177.9 | -41 | 0 | 0 | 0 | 0 | 114.1 | V50 | V50-S52 PolarHBondContact O-N 3.34Š|
| 53 | F | 66.2 | Low | 68.2 | Low | 83 Ų | 83 | 62.3 Ų | 62.3 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -122.9 | 9.4 | -173.9 | -55.3 | -83.5 | 0 | 0 | 0 | 113.5 | V50 A51 A55 L82 P85 | V50-F53 CarbonylContact O-C 3.48Å; V50-F53 WeakPolarHBondContact O-CA 3.18Å; V50-F53 PolarHBondContact O-N 2.87Å; A51-F53 PolarHBondContact O-N 3.46Å; F53-A55 PolarHBondContact O-N 2.79Å; F53-L82 HydrophobicContact CB-CB 4.42Å; F53-L82 HydrophobicContact CB-CD1 3.23Å; F53-L82 HydrophobicContact CB-CG 3.71Å; F53-L82 HydrophobicContact CD1-CD1 3.64Å; F53-L82 HydrophobicContact CD2-CD1 3.99Å; F53-L82 HydrophobicContact CE1-CD1 4.45Å; F53-L82 HydrophobicContact CG-CD1 3.37Å; F53-L82 HydrophobicContact CG-CG 4.36Å; F53-P85 HydrophobicContact CE2-CB 4.02Å |
| 54 | L | 69.2 | Low | 66.2 | Low | 52 Ų | 52 | 63.6 Ų | 63.6 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | trans | -67.9 | 126.3 | 173.1 | -67.7 | 175.3 | 0 | 0 | 0 | 109.4 | I47 V50 A51 I81 F113 | I47-L54 HydrophobicContact CG2-CD1 4.29Å; V50-L54 PolarHBondContact O-N 2.87Å; A51-L54 PolarHBondContact O-N 2.87Å; L54-I81 HydrophobicContact CD2-CB 4.36Å; L54-I81 HydrophobicContact CD2-CG1 3.74Å; L54-I81 HydrophobicContact CD2-CG2 4.49Å; L54-F113 HydrophobicContact CD1-CE2 4.17Å; L54-F113 HydrophobicContact CD1-CZ 3.89Å | ||
| 55 | A | 63.9 | Low | 64.3 | Low | 15 Ų | 15 | 66.6 Ų | 66.6 | 12% | 0.124 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F53 V63 F79 G80 M91 | F53-A55 PolarHBondContact O-N 2.79Å; A55-V63 HydrophobicContact CB-CG2 4.46Å; A55-F79 CarbonylContact O-C 3.56Å; A55-F79 VanDerWaalsContact O-CA 3.23Å; A55-F79 WeakPolarHBondContact O-CA 3.29Å; A55-F79 WeakPolarHBondContact O-CB 3.14Å; A55-G80 PolarHBondContact N-O 3.25Å; A55-G80 PolarHBondContact O-N 3.22Å; A55-M91 HydrophobicContact CB-CE 3.56Å |
| 56 | S | 61.2 | Low | 62.9 | Low | 67 Ų | 67 | 68.5 Ų | 68.5 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 142.6 | 173.5 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 57 | G | 56.7 | Low | 61.5 | Low | 19 Ų | 19 | 66.5 Ų | 66.5 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 78 | -152.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P59 F60 | G57-P59 VanDerWaalsContact C-N 3.34Å; G57-P59 WeakPolarHBondContact O-CD 3.27Å; G57-P59 VanDerWaalsContact O-N 3.08Å; G57-F60 VanDerWaalsContact O-CB 3.24Å; G57-F60 WeakPolarHBondContact O-CB 3.36Å; G57-F60 VanDerWaalsContact O-CD2 3.25Å; G57-F60 WeakPolarHBondContact O-CD2 3.46Å; G57-F60 PolarHBondContact O-N 3.28Å |
| 58 | E | 46.2 | Very low | 60 | Low | 155 Ų | 155 | 72.6 Ų | 72.6 | 72% | 0.724 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -50.2 | -29.2 | -171.5 | -146.9 | 173.2 | -172.7 | 0 | 0 | 117.9 | F60 | E58-F60 PolarHBondContact O-N 3.13Š|
| 59 | P | 53 | Low | 58.6 | Low | 66 Ų | 66 | 71 Ų | 71 | 43% | 0.429 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -62 | -7.1 | 170.6 | 23.6 | -34.5 | 0 | 0 | 0 | 114.2 | G57 H61 R62 | G57-P59 VanDerWaalsContact C-N 3.34Å; G57-P59 WeakPolarHBondContact O-CD 3.27Å; G57-P59 VanDerWaalsContact O-N 3.08Å; P59-H61 PolarHBondContact O-N 2.76Å; P59-H61 VanDerWaalsContact O-N 3.13Å; P59-R62 PolarHBondContact O-N 3.07Å |
| 60 | F | 51.3 | Low | 57.5 | Low | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -44 | -42.1 | 172.7 | -115.3 | -103.5 | 0 | 0 | 0 | 114.2 | G57 E58 R62 P67 I75 A78 W93 | G57-F60 VanDerWaalsContact O-CB 3.24Å; G57-F60 WeakPolarHBondContact O-CB 3.36Å; G57-F60 VanDerWaalsContact O-CD2 3.25Å; G57-F60 WeakPolarHBondContact O-CD2 3.46Å; G57-F60 PolarHBondContact O-N 3.28Å; E58-F60 PolarHBondContact O-N 3.13Å; F60-R62 PolarHBondContact O-N 3.02Å; F60-P67 HydrophobicContact CE1-CG 4.31Å; F60-I75 HydrophobicContact CB-CG2 3.43Å; F60-I75 VanDerWaalsContact CB-CG2 3.43Å; F60-I75 HydrophobicContact CD1-CG2 3.91Å; F60-I75 HydrophobicContact CG-CG2 3.74Å; F60-A78 HydrophobicContact CD1-CB 4.41Å; F60-A78 HydrophobicContact CE1-CB 3.48Å; F60-A78 VanDerWaalsContact CE1-CB 3.48Å; F60-A78 HydrophobicContact CE2-CB 3.74Å; F60-A78 WeakPolarHBondContact CE2-O 3.29Å; F60-A78 VanDerWaalsContact CZ-C 3.41Å; F60-A78 HydrophobicContact CZ-CB 3.08Å; F60-W93 HydrophobicContact CD1-CE3 4.43Å; F60-W93 HydrophobicContact CD1-CZ3 4.14Å; F60-W93 HydrophobicContact CD2-CZ3 4.08Å; F60-W93 HydrophobicContact CE1-CD2 4.38Å; F60-W93 AromaticContact CE1-CE3 3.57Å; F60-W93 HydrophobicContact CE1-CE3 3.57Å; F60-W93 AromaticContact CE1-CZ3 3.68Å; F60-W93 HydrophobicContact CE1-CZ3 3.68Å; F60-W93 AromaticContact CE2-CE3 3.94Å; F60-W93 HydrophobicContact CE2-CE3 3.94Å; F60-W93 AromaticContact CE2-CZ3 3.58Å; F60-W93 HydrophobicContact CE2-CZ3 3.58Å; F60-W93 HydrophobicContact CG-CZ3 4.32Å; F60-W93 HydrophobicContact CZ-CD2 4.38Å; F60-W93 AromaticContact CZ-CE3 3.25Å; F60-W93 HydrophobicContact CZ-CE3 3.25Å; F60-W93 AromaticContact CZ-CZ3 3.35Å; F60-W93 HydrophobicContact CZ-CZ3 3.35Å |
| 61 | H | 47 | Very low | 56.5 | Low | 110 Ų | 110 | 66.6 Ų | 66.6 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -72.7 | -16.6 | -176.8 | -67 | -80 | 0 | 0 | 0 | 113.6 | P59 I75 | P59-H61 PolarHBondContact O-N 2.76Å; P59-H61 VanDerWaalsContact O-N 3.13Å; H61-I75 WeakPolarHBondContact CE1-CD1 3.35Å; H61-I75 WeakPolarHBondContact NE2-CD1 3.25Å |
| 62 | R | 48.4 | Very low | 55.7 | Low | 180 Ų | 180 | 71.3 Ų | 71.3 | 68% | 0.679 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -101.4 | -4.5 | -173.4 | -60.1 | -172.5 | -179 | -178.5 | 2.3 | 113.2 | P59 F60 | P59-R62 PolarHBondContact O-N 3.07Å; F60-R62 PolarHBondContact O-N 3.02Å |
| 63 | V | 53.4 | Low | 55.2 | Low | 38 Ų | 38 | 71.4 Ų | 71.4 | 23% | 0.23 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -90.9 | 127.1 | 179.2 | -168.7 | 0 | 0 | 0 | 0 | 110.1 | A55 C65 N66 M91 W93 | A55-V63 HydrophobicContact CB-CG2 4.46Å; V63-C65 PolarHBondContact O-N 3.47Å; V63-N66 PolarHBondContact O-N 2.81Å; V63-M91 HydrophobicContact CG1-SD 3.69Å; V63-W93 HydrophobicContact CB-CH2 3.62Å; V63-W93 HydrophobicContact CB-CZ2 3.78Å; V63-W93 HydrophobicContact CG1-CH2 3.8Å; V63-W93 HydrophobicContact CG1-CZ2 3.67Å; V63-W93 HydrophobicContact CG2-CH2 3.88Å |
| 64 | P | 44.8 | Very low | 55.1 | Low | 108 Ų | 108 | 70.5 Ų | 70.5 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 138.2 | 171.8 | 22.4 | -29.6 | 0 | 0 | 0 | 109.5 | ||
| 65 | C | 49.6 | Very low | 54.8 | Low | 100 Ų | 100 | 68.6 Ų | 68.6 | 68% | 0.676 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 26.2 | -170.5 | -48.2 | 0 | 0 | 0 | 0 | 116.6 | V63 W93 | V63-C65 PolarHBondContact O-N 3.47Å; C65-W93 PolarHBondContact O-NE1 2.79Å |
| 66 | N | 57.8 | Low | 54.9 | Low | 44 Ų | 44 | 71 Ų | 71 | 24% | 0.235 | 42% | 0.416 | C | S | . | . | trans | -52.8 | 130.1 | 169.3 | -176.2 | -1.9 | 0 | 0 | 0 | 111.6 | V63 T68 | V63-N66 PolarHBondContact O-N 2.81Å; N66-T68 PolarHBondContact O-N 2.85Å | ||
| 67 | P | 58.1 | Low | 55.6 | Low | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.013 | 40% | 0.4 | C | S | . | . | trans | -59.3 | 99 | 170 | 25.4 | -35.8 | 0 | 0 | 0 | 111.3 | W11 W17 F60 S69 Q70 | W11-P67 HydrophobicContact CB-CB 4.48Å; W11-P67 HydrophobicContact CD2-CB 3.49Å; W11-P67 VanDerWaalsContact CD2-CB 3.49Å; W11-P67 HydrophobicContact CE3-CB 3.83Å; W11-P67 HydrophobicContact CG-CB 3.83Å; W11-P67 HydrophobicContact CH2-CB 4.26Å; W11-P67 HydrophobicContact CZ2-CB 3.93Å; W11-P67 HydrophobicContact CZ3-CB 4.25Å; W17-P67 HydrophobicContact CH2-CB 4.3Å; W17-P67 HydrophobicContact CH2-CG 4.03Å; W17-P67 HydrophobicContact CZ2-CB 3.52Å; W17-P67 HydrophobicContact CZ2-CG 3.52Å; F60-P67 HydrophobicContact CE1-CG 4.31Å; P67-S69 PolarHBondContact O-N 2.76Å; P67-Q70 PolarHBondContact O-N 2.96Å | ||
| 68 | T | 55.8 | Low | 56.6 | Low | 127 Ų | 127 | 68.2 Ų | 68.2 | 78% | 0.779 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -9.2 | -175.7 | -23.3 | 0 | 0 | 0 | 0 | 114.1 | N66 | N66-T68 PolarHBondContact O-N 2.85Š|
| 69 | S | 52.7 | Low | 58.2 | Low | 66 Ų | 66 | 61.3 Ų | 61.3 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -3.6 | -176.6 | 72.5 | 0 | 0 | 0 | 0 | 114.4 | W11 W17 P67 A71 | W11-S69 WeakPolarHBondContact CH2-OG 3.29Å; W11-S69 WeakPolarHBondContact CZ3-OG 3.24Å; W17-S69 PolarHBondContact NE1-OG 3.26Å; P67-S69 PolarHBondContact O-N 2.76Å; S69-A71 PolarHBondContact O-N 3.2Å |
| 70 | Q | 56.6 | Low | 59.6 | Low | 19 Ų | 19 | 58.2 Ų | 58.2 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | trans | -74.8 | 127.3 | -173.6 | -162.3 | 163 | 17.6 | 0 | 0 | 109.6 | W17 P67 T72 D74 I75 | W17-Q70 HydrophobicContact CZ2-CB 4.37Å; W17-Q70 HydrophobicContact CZ2-CG 4.28Å; P67-Q70 PolarHBondContact O-N 2.96Å; Q70-T72 PolarHBondContact O-N 2.65Å; Q70-D74 HydrophobicContact CG-CB 3.55Å; Q70-D74 PolarHBondContact NE2-O 3.06Å; Q70-I75 HydrophobicContact CB-CG1 4.3Å; Q70-I75 HydrophobicContact CG-CG1 4.09Å | ||
| 71 | A | 54.7 | Low | 61.1 | Low | 53 Ų | 53 | 58.2 Ų | 58.2 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | trans | -56.7 | 137.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | S69 S73 D74 | S69-A71 PolarHBondContact O-N 3.2Å; A71-S73 PolarHBondContact O-N 3.29Å; A71-D74 PolarHBondContact O-N 3.25Å | ||
| 72 | T | 57 | Low | 62.6 | Low | 117 Ų | 117 | 54 Ų | 54 | 72% | 0.718 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -24.6 | -177 | -46.9 | 0 | 0 | 0 | 0 | 112.9 | Q70 | Q70-T72 PolarHBondContact O-N 2.65Š|
| 73 | S | 56.4 | Low | 64.1 | Low | 79 Ų | 79 | 48.4 Ų | 48.4 | 55% | 0.552 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27.7 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 115.4 | A71 P76 | A71-S73 PolarHBondContact O-N 3.29Å; S73-P76 WeakPolarHBondContact O-CD 3.49Å; S73-P76 WeakPolarHBondContact O-CG 3.46Å |
| 74 | D | 63.4 | Low | 64.8 | Low | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -14.6 | -169.9 | -58.5 | -3.2 | 0 | 0 | 0 | 112 | Q70 A71 L77 A78 | Q70-D74 HydrophobicContact CG-CB 3.55Å; Q70-D74 PolarHBondContact NE2-O 3.06Å; A71-D74 PolarHBondContact O-N 3.25Å; D74-L77 CarbonylContact O-C 3.52Å; D74-L77 WeakPolarHBondContact O-CA 3.34Å; D74-L77 WeakPolarHBondContact O-CB 3.34Å; D74-L77 PolarHBondContact O-N 3.39Å; D74-A78 PolarHBondContact O-N 3.21Å |
| 75 | I | 63.5 | Low | 65.9 | Low | 11 Ų | 11 | 45.2 Ų | 45.2 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -55.8 | -45.2 | 175.6 | -57.5 | -177.7 | 0 | 0 | 0 | 112.5 | F60 H61 Q70 L77 A78 | F60-I75 HydrophobicContact CB-CG2 3.43Å; F60-I75 VanDerWaalsContact CB-CG2 3.43Å; F60-I75 HydrophobicContact CD1-CG2 3.91Å; F60-I75 HydrophobicContact CG-CG2 3.74Å; H61-I75 WeakPolarHBondContact CE1-CD1 3.35Å; H61-I75 WeakPolarHBondContact NE2-CD1 3.25Å; Q70-I75 HydrophobicContact CB-CG1 4.3Å; Q70-I75 HydrophobicContact CG-CG1 4.09Å; I75-L77 PolarHBondContact O-N 2.92Å; I75-A78 PolarHBondContact O-N 3.03Å |
| 76 | P | 65.1 | Low | 66.7 | Low | 66 Ų | 66 | 46 Ų | 46 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -65 | -18.9 | 175 | 26 | -36 | 0 | 0 | 0 | 113.3 | S73 A78 L102 | S73-P76 WeakPolarHBondContact O-CD 3.49Å; S73-P76 WeakPolarHBondContact O-CG 3.46Å; P76-A78 VanDerWaalsContact C-N 3.34Å; P76-L102 VanDerWaalsContact O-CD2 3.27Å; P76-L102 WeakPolarHBondContact O-CD2 3.49Å |
| 77 | L | 76.2 | Confident | 66.6 | Low | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -91.9 | 7.5 | 179.5 | -61.2 | -179.5 | 0 | 0 | 0 | 113.5 | D74 I75 C96 Q99 | D74-L77 CarbonylContact O-C 3.52Å; D74-L77 WeakPolarHBondContact O-CA 3.34Å; D74-L77 WeakPolarHBondContact O-CB 3.34Å; D74-L77 PolarHBondContact O-N 3.39Å; I75-L77 PolarHBondContact O-N 2.92Å; L77-C96 VanDerWaalsContact O-CB 3.29Å; L77-C96 WeakPolarHBondContact O-CB 3.23Å; L77-C96 PolarHBondContact O-N 2.8Å; L77-Q99 HydrophobicContact CD2-CB 4.02Å; L77-Q99 VanDerWaalsContact CD2-OE1 3.25Å |
| 78 | A | 77.2 | Confident | 66.8 | Low | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 153.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F60 D74 I75 P76 F94 A95 | F60-A78 HydrophobicContact CD1-CB 4.41Å; F60-A78 HydrophobicContact CE1-CB 3.48Å; F60-A78 VanDerWaalsContact CE1-CB 3.48Å; F60-A78 HydrophobicContact CE2-CB 3.74Å; F60-A78 WeakPolarHBondContact CE2-O 3.29Å; F60-A78 VanDerWaalsContact CZ-C 3.41Å; F60-A78 HydrophobicContact CZ-CB 3.08Å; D74-A78 PolarHBondContact O-N 3.21Å; I75-A78 PolarHBondContact O-N 3.03Å; P76-A78 VanDerWaalsContact C-N 3.34Å; A78-F94 CarbonylContact C-O 3.59Å; A78-F94 WeakPolarHBondContact CA-O 3.43Å; A78-F94 VanDerWaalsContact CB-O 3.29Å; A78-F94 WeakPolarHBondContact CB-O 3.07Å; A78-A95 HydrophobicContact CB-CB 4.19Å |
| 79 | F | 81 | Confident | 67.5 | Low | 10 Ų | 10 | 51 Ų | 51 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155.1 | 174.3 | 67.3 | -89.2 | 0 | 0 | 0 | 109.8 | L8 F30 A55 I81 F94 L102 | L8-F79 HydrophobicContact CD1-CE1 3.95Å; L8-F79 HydrophobicContact CD1-CZ 3.62Å; F30-F79 HydrophobicContact CZ-CE2 4.41Å; F30-F79 HydrophobicContact CZ-CZ 4.45Å; A55-F79 CarbonylContact O-C 3.56Å; A55-F79 VanDerWaalsContact O-CA 3.23Å; A55-F79 WeakPolarHBondContact O-CA 3.29Å; A55-F79 WeakPolarHBondContact O-CB 3.14Å; F79-I81 HydrophobicContact CD2-CD1 4.27Å; F79-I81 HydrophobicContact CD2-CG1 4.15Å; F79-I81 HydrophobicContact CE2-CD1 3.73Å; F79-I81 HydrophobicContact CE2-CG1 4.12Å; F79-F94 HydrophobicContact CD1-CB 4.29Å; F79-F94 HydrophobicContact CD2-CB 4.33Å; F79-F94 HydrophobicContact CD2-CD2 4.33Å; F79-F94 HydrophobicContact CE1-CB 3.87Å; F79-F94 HydrophobicContact CE2-CB 3.9Å; F79-F94 AromaticContact CE2-CD2 3.83Å; F79-F94 HydrophobicContact CE2-CD2 3.83Å; F79-F94 HydrophobicContact CE2-CG 4.08Å; F79-F94 HydrophobicContact CZ-CB 3.67Å; F79-F94 HydrophobicContact CZ-CD2 4.33Å; F79-F94 HydrophobicContact CZ-CG 4.12Å; F79-F94 PolarHBondContact N-O 2.84Å; F79-F94 PolarHBondContact O-N 3.2Å; F79-F94 VanDerWaalsContact O-O 3.08Å; F79-L102 HydrophobicContact CD1-CD1 3.87Å |
| 80 | G | 81.6 | Confident | 68.4 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A55 M91 A92 | A55-G80 PolarHBondContact N-O 3.25Å; A55-G80 PolarHBondContact O-N 3.22Å; G80-M91 VanDerWaalsContact C-CE 3.47Å; G80-M91 VanDerWaalsContact CA-CE 3.47Å; G80-A92 CarbonylContact C-O 3.52Å; G80-A92 VanDerWaalsContact CA-O 3.27Å; G80-A92 WeakPolarHBondContact CA-O 3.42Å |
| 81 | I | 82.5 | Confident | 69.4 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.3 | -177.9 | -62.6 | 172.8 | 0 | 0 | 0 | 108.4 | F30 V45 I47 V50 L54 F79 A92 F94 | F30-I81 HydrophobicContact CD1-CD1 3.41Å; F30-I81 VanDerWaalsContact CD1-CD1 3.41Å; F30-I81 HydrophobicContact CD2-CD1 4.26Å; F30-I81 HydrophobicContact CE1-CD1 3.37Å; F30-I81 HydrophobicContact CE2-CD1 4.2Å; F30-I81 HydrophobicContact CG-CD1 3.87Å; F30-I81 HydrophobicContact CZ-CD1 3.78Å; V45-I81 HydrophobicContact CB-CG2 4.3Å; V45-I81 HydrophobicContact CG1-CG2 3.88Å; V45-I81 HydrophobicContact CG2-CG2 4.49Å; I47-I81 HydrophobicContact CD1-CD1 4.02Å; I47-I81 HydrophobicContact CD1-CG1 4.45Å; I47-I81 HydrophobicContact CD1-CG2 4.01Å; V50-I81 HydrophobicContact CG2-CG2 4.16Å; L54-I81 HydrophobicContact CD2-CB 4.36Å; L54-I81 HydrophobicContact CD2-CG1 3.74Å; L54-I81 HydrophobicContact CD2-CG2 4.49Å; F79-I81 HydrophobicContact CD2-CD1 4.27Å; F79-I81 HydrophobicContact CD2-CG1 4.15Å; F79-I81 HydrophobicContact CE2-CD1 3.73Å; F79-I81 HydrophobicContact CE2-CG1 4.12Å; I81-A92 PolarHBondContact N-O 3.15Å; I81-A92 PolarHBondContact O-N 2.87Å; I81-F94 HydrophobicContact CB-CE2 4.3Å; I81-F94 HydrophobicContact CD1-CD2 4.25Å; I81-F94 HydrophobicContact CD1-CE2 3.98Å; I81-F94 HydrophobicContact CG1-CD2 4.47Å; I81-F94 HydrophobicContact CG1-CE2 4.32Å |
| 82 | L | 79.3 | Confident | 70.7 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.12 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 144.4 | 170.1 | -69.2 | -171.3 | 0 | 0 | 0 | 110.9 | V45 V50 F53 G84 M91 | V45-L82 VanDerWaalsContact CG1-O 3.28Å; V45-L82 WeakPolarHBondContact CG1-O 3.18Å; V50-L82 HydrophobicContact CB-CB 4.42Å; V50-L82 HydrophobicContact CG1-CB 4.33Å; F53-L82 HydrophobicContact CB-CB 4.42Å; F53-L82 HydrophobicContact CB-CD1 3.23Å; F53-L82 HydrophobicContact CB-CG 3.71Å; F53-L82 HydrophobicContact CD1-CD1 3.64Å; F53-L82 HydrophobicContact CD2-CD1 3.99Å; F53-L82 HydrophobicContact CE1-CD1 4.45Å; F53-L82 HydrophobicContact CG-CD1 3.37Å; F53-L82 HydrophobicContact CG-CG 4.36Å; L82-G84 PolarHBondContact O-N 2.87Å; L82-M91 HydrophobicContact CD2-CB 3.91Å; L82-M91 HydrophobicContact CD2-CG 4.07Å; L82-M91 HydrophobicContact CD2-SD 4.24Å |
| 83 | Y | 78.6 | Confident | 71.9 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -68.6 | -16.3 | 173.1 | -66.7 | -82.7 | 0 | 0 | 0 | 113.6 | W32 Q43 V45 Q90 A92 | W32-Y83 AromaticContact CH2-CD1 3.96Å; W32-Y83 HydrophobicContact CH2-CD1 3.96Å; W32-Y83 AromaticContact CH2-CE1 3.42Å; W32-Y83 HydrophobicContact CH2-CE1 3.42Å; W32-Y83 VanDerWaalsContact CH2-CE1 3.42Å; W32-Y83 HydrophobicContact CZ2-CD1 4.4Å; W32-Y83 AromaticContact CZ2-CE1 3.46Å; W32-Y83 HydrophobicContact CZ2-CE1 3.46Å; W32-Y83 VanDerWaalsContact CZ2-CE1 3.46Å; W32-Y83 AromaticContact CZ2-CZ 3.98Å; Q43-Y83 HydrophobicContact CB-CE1 4.28Å; Q43-Y83 HydrophobicContact CG-CD1 3.6Å; Q43-Y83 HydrophobicContact CG-CE1 3.54Å; V45-Y83 HydrophobicContact CG2-CD1 4.15Å; Y83-Q90 HydrophobicContact CD2-CB 3.49Å; Y83-Q90 VanDerWaalsContact CD2-CB 3.49Å; Y83-Q90 WeakPolarHBondContact CD2-O 3.5Å; Y83-Q90 HydrophobicContact CE2-CB 3.6Å; Y83-Q90 PolarHBondContact N-O 3.27Å; Y83-Q90 VanDerWaalsContact N-O 3.17Å; Y83-A92 HydrophobicContact CE2-CB 4.25Å |
| 84 | G | 70 | Confident | 73.4 | Confident | 7 Ų | 7 | 43 Ų | 43 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -173.4 | 163.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L82 H86 T89 | L82-G84 PolarHBondContact O-N 2.87Å; G84-H86 VanDerWaalsContact C-N 3.29Å; G84-H86 PolarHBondContact O-N 3.48Å; G84-H86 VanDerWaalsContact O-N 3.16Å; G84-T89 VanDerWaalsContact N-CG2 3.33Å; G84-T89 PolarHBondContact O-OG1 3.1Å |
| 85 | P | 67.6 | Low | 74.5 | Confident | 72 Ų | 72 | 40.2 Ų | 40.2 | 47% | 0.468 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -89.9 | 50.7 | -174.2 | 37.4 | -37.7 | 0 | 0 | 0 | 112.3 | R49 F53 | R49-P85 HydrophobicContact CB-CG 4.39Å; F53-P85 HydrophobicContact CE2-CB 4.02Å |
| 86 | H | 66.6 | Low | 75.5 | Confident | 117 Ų | 117 | 40.1 Ų | 40.1 | 54% | 0.542 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -132.8 | 151.5 | 177.5 | 52.9 | -82.7 | 0 | 0 | 0 | 112 | G84 G88 T89 | G84-H86 VanDerWaalsContact C-N 3.29Å; G84-H86 PolarHBondContact O-N 3.48Å; G84-H86 VanDerWaalsContact O-N 3.16Å; H86-G88 PolarHBondContact O-N 2.88Å; H86-T89 PolarHBondContact CD2-OG1 3.06Å; H86-T89 PolarHBondContact CE1-OG1 2.68Å; H86-T89 PolarHBondContact N-OG1 2.85Å; H86-T89 PolarHBondContact ND1-OG1 2.88Å; H86-T89 PolarHBondContact NE2-OG1 2.7Å; H86-T89 WeakPolarHBondContact O-CB 3.27Å; H86-T89 PolarHBondContact O-N 2.81Å; H86-T89 PolarHBondContact O-OG1 3.3Å |
| 87 | M | 55.1 | Low | 76.5 | Confident | 169 Ų | 169 | 41.4 Ų | 41.4 | 83% | 0.833 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 135.7 | 173.5 | -67.1 | -65.6 | 179.3 | 0 | 0 | 109.6 | ||
| 88 | G | 62.8 | Low | 76.9 | Confident | 84 Ų | 84 | 43 Ų | 43 | 87% | 0.866 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 3.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | H86 | H86-G88 PolarHBondContact O-N 2.88Š|
| 89 | T | 68.7 | Low | 77.1 | Confident | 23 Ų | 23 | 48 Ų | 48 | 14% | 0.141 | 27% | 0.269 | C | S | . | . | trans | -67.4 | 140.1 | 174.1 | -45.2 | 0 | 0 | 0 | 0 | 110.9 | G84 H86 | G84-T89 VanDerWaalsContact N-CG2 3.33Å; G84-T89 PolarHBondContact O-OG1 3.1Å; H86-T89 PolarHBondContact CD2-OG1 3.06Å; H86-T89 PolarHBondContact CE1-OG1 2.68Å; H86-T89 PolarHBondContact N-OG1 2.85Å; H86-T89 PolarHBondContact ND1-OG1 2.88Å; H86-T89 PolarHBondContact NE2-OG1 2.7Å; H86-T89 WeakPolarHBondContact O-CB 3.27Å; H86-T89 PolarHBondContact O-N 2.81Å; H86-T89 PolarHBondContact O-OG1 3.3Å | ||
| 90 | Q | 72.6 | Confident | 77.4 | Confident | 132 Ų | 132 | 50.7 Ų | 50.7 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | trans | -62.8 | 156.4 | 172.5 | -67.6 | 177.5 | -8.5 | 0 | 0 | 111.2 | Y83 | Y83-Q90 HydrophobicContact CD2-CB 3.49Å; Y83-Q90 VanDerWaalsContact CD2-CB 3.49Å; Y83-Q90 WeakPolarHBondContact CD2-O 3.5Å; Y83-Q90 HydrophobicContact CE2-CB 3.6Å; Y83-Q90 PolarHBondContact N-O 3.27Å; Y83-Q90 VanDerWaalsContact N-O 3.17Å | ||
| 91 | M | 76.9 | Confident | 77.7 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 16% | 0.158 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.3 | 175.8 | -167.4 | 162.3 | -171.4 | 0 | 0 | 109.7 | A55 V63 G80 L82 W93 | A55-M91 HydrophobicContact CB-CE 3.56Å; V63-M91 HydrophobicContact CG1-SD 3.69Å; G80-M91 VanDerWaalsContact C-CE 3.47Å; G80-M91 VanDerWaalsContact CA-CE 3.47Å; L82-M91 HydrophobicContact CD2-CB 3.91Å; L82-M91 HydrophobicContact CD2-CG 4.07Å; L82-M91 HydrophobicContact CD2-SD 4.24Å; M91-W93 HydrophobicContact CE-CE3 4.28Å; M91-W93 HydrophobicContact CE-CH2 3.61Å; M91-W93 HydrophobicContact CE-CZ2 4.09Å; M91-W93 HydrophobicContact CE-CZ3 3.72Å; M91-W93 HydrophobicContact CG-CD2 4.35Å; M91-W93 HydrophobicContact CG-CZ2 4.17Å; M91-W93 HydrophobicContact SD-CD2 4.49Å; M91-W93 HydrophobicContact SD-CH2 3.6Å; M91-W93 VanDerWaalsContact SD-CH2 3.6Å; M91-W93 HydrophobicContact SD-CZ2 3.43Å; M91-W93 WeakPolarHBondContact SD-CZ2 3.46Å; M91-W93 HydrophobicContact SD-CZ3 4.18Å |
| 92 | A | 81.8 | Confident | 77.9 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | W32 G80 I81 Y83 F94 | W32-A92 HydrophobicContact CH2-CB 3.88Å; W32-A92 HydrophobicContact CZ2-CB 4.12Å; G80-A92 CarbonylContact C-O 3.52Å; G80-A92 VanDerWaalsContact CA-O 3.27Å; G80-A92 WeakPolarHBondContact CA-O 3.42Å; I81-A92 PolarHBondContact N-O 3.15Å; I81-A92 PolarHBondContact O-N 2.87Å; Y83-A92 HydrophobicContact CE2-CB 4.25Å; A92-F94 HydrophobicContact CB-CE2 3.59Å; A92-F94 HydrophobicContact CB-CZ 3.87Å |
| 93 | W | 83.7 | Confident | 78.2 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 1% | 0.011 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135.7 | 177.7 | -60.6 | 103.7 | 0 | 0 | 0 | 111.1 | K10 W11 W17 F60 V63 C65 M91 | K10-W93 VanDerWaalsContact CA-O 3.31Å; K10-W93 WeakPolarHBondContact CA-O 3.37Å; W11-W93 HydrophobicContact CB-CB 3.8Å; W11-W93 PolarHBondContact N-O 3.19Å; W17-W93 HydrophobicContact CH2-CB 4.25Å; F60-W93 HydrophobicContact CD1-CE3 4.43Å; F60-W93 HydrophobicContact CD1-CZ3 4.14Å; F60-W93 HydrophobicContact CD2-CZ3 4.08Å; F60-W93 HydrophobicContact CE1-CD2 4.38Å; F60-W93 AromaticContact CE1-CE3 3.57Å; F60-W93 HydrophobicContact CE1-CE3 3.57Å; F60-W93 AromaticContact CE1-CZ3 3.68Å; F60-W93 HydrophobicContact CE1-CZ3 3.68Å; F60-W93 AromaticContact CE2-CE3 3.94Å; F60-W93 HydrophobicContact CE2-CE3 3.94Å; F60-W93 AromaticContact CE2-CZ3 3.58Å; F60-W93 HydrophobicContact CE2-CZ3 3.58Å; F60-W93 HydrophobicContact CG-CZ3 4.32Å; F60-W93 HydrophobicContact CZ-CD2 4.38Å; F60-W93 AromaticContact CZ-CE3 3.25Å; F60-W93 HydrophobicContact CZ-CE3 3.25Å; F60-W93 AromaticContact CZ-CZ3 3.35Å; F60-W93 HydrophobicContact CZ-CZ3 3.35Å; V63-W93 HydrophobicContact CB-CH2 3.62Å; V63-W93 HydrophobicContact CB-CZ2 3.78Å; V63-W93 HydrophobicContact CG1-CH2 3.8Å; V63-W93 HydrophobicContact CG1-CZ2 3.67Å; V63-W93 HydrophobicContact CG2-CH2 3.88Å; C65-W93 PolarHBondContact O-NE1 2.79Å; M91-W93 HydrophobicContact CE-CE3 4.28Å; M91-W93 HydrophobicContact CE-CH2 3.61Å; M91-W93 HydrophobicContact CE-CZ2 4.09Å; M91-W93 HydrophobicContact CE-CZ3 3.72Å; M91-W93 HydrophobicContact CG-CD2 4.35Å; M91-W93 HydrophobicContact CG-CZ2 4.17Å; M91-W93 HydrophobicContact SD-CD2 4.49Å; M91-W93 HydrophobicContact SD-CH2 3.6Å; M91-W93 VanDerWaalsContact SD-CH2 3.6Å; M91-W93 HydrophobicContact SD-CZ2 3.43Å; M91-W93 WeakPolarHBondContact SD-CZ2 3.46Å; M91-W93 HydrophobicContact SD-CZ3 4.18Å |
| 94 | F | 87.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137.3 | 179.2 | -59.3 | -86.8 | 0 | 0 | 0 | 109.9 | L8 K9 K10 V20 F30 W32 A78 F79 I81 A92 | L8-F94 HydrophobicContact CB-CD1 4.34Å; L8-F94 HydrophobicContact CD1-CB 4.3Å; L8-F94 HydrophobicContact CD1-CD1 4.38Å; K9-F94 CarbonylContact O-C 3.5Å; K9-F94 VanDerWaalsContact O-CA 3.23Å; K9-F94 WeakPolarHBondContact O-CA 3.47Å; K10-F94 HydrophobicContact CB-CD1 4.06Å; K10-F94 HydrophobicContact CB-CE1 4.01Å; K10-F94 HydrophobicContact CD-CE1 3.95Å; K10-F94 HydrophobicContact CD-CZ 4.24Å; K10-F94 HydrophobicContact CG-CD1 4.4Å; K10-F94 HydrophobicContact CG-CE1 4.05Å; V20-F94 HydrophobicContact CG2-CD1 4.36Å; V20-F94 HydrophobicContact CG2-CE1 4.13Å; F30-F94 HydrophobicContact CE1-CE1 4.17Å; F30-F94 AromaticContact CE1-CE2 3.89Å; F30-F94 HydrophobicContact CE1-CE2 3.89Å; F30-F94 AromaticContact CE1-CZ 3.7Å; F30-F94 HydrophobicContact CE1-CZ 3.7Å; F30-F94 HydrophobicContact CZ-CE1 4.47Å; F30-F94 HydrophobicContact CZ-CE2 4.46Å; F30-F94 HydrophobicContact CZ-CZ 4.36Å; W32-F94 HydrophobicContact CD2-CE1 4.34Å; W32-F94 AromaticContact CD2-CZ 3.95Å; W32-F94 HydrophobicContact CD2-CZ 3.95Å; W32-F94 HydrophobicContact CE3-CE1 4.47Å; W32-F94 AromaticContact CE3-CZ 3.77Å; W32-F94 HydrophobicContact CE3-CZ 3.77Å; W32-F94 HydrophobicContact CG-CE1 4.43Å; W32-F94 HydrophobicContact CG-CZ 4.5Å; W32-F94 HydrophobicContact CH2-CZ 4.31Å; W32-F94 HydrophobicContact CZ2-CZ 4.48Å; W32-F94 AromaticContact CZ3-CZ 3.98Å; W32-F94 HydrophobicContact CZ3-CZ 3.98Å; A78-F94 CarbonylContact C-O 3.59Å; A78-F94 WeakPolarHBondContact CA-O 3.43Å; A78-F94 VanDerWaalsContact CB-O 3.29Å; A78-F94 WeakPolarHBondContact CB-O 3.07Å; F79-F94 HydrophobicContact CD1-CB 4.29Å; F79-F94 HydrophobicContact CD2-CB 4.33Å; F79-F94 HydrophobicContact CD2-CD2 4.33Å; F79-F94 HydrophobicContact CE1-CB 3.87Å; F79-F94 HydrophobicContact CE2-CB 3.9Å; F79-F94 AromaticContact CE2-CD2 3.83Å; F79-F94 HydrophobicContact CE2-CD2 3.83Å; F79-F94 HydrophobicContact CE2-CG 4.08Å; F79-F94 HydrophobicContact CZ-CB 3.67Å; F79-F94 HydrophobicContact CZ-CD2 4.33Å; F79-F94 HydrophobicContact CZ-CG 4.12Å; F79-F94 PolarHBondContact N-O 2.84Å; F79-F94 PolarHBondContact O-N 3.2Å; F79-F94 VanDerWaalsContact O-O 3.08Å; I81-F94 HydrophobicContact CB-CE2 4.3Å; I81-F94 HydrophobicContact CD1-CD2 4.25Å; I81-F94 HydrophobicContact CD1-CE2 3.98Å; I81-F94 HydrophobicContact CG1-CD2 4.47Å; I81-F94 HydrophobicContact CG1-CE2 4.32Å; A92-F94 HydrophobicContact CB-CE2 3.59Å; A92-F94 HydrophobicContact CB-CZ 3.87Å |
| 95 | A | 85.5 | Confident | 79.6 | Confident | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | K9 W17 A78 | K9-A95 HydrophobicContact CB-CB 4.22Å; K9-A95 PolarHBondContact N-O 3.36Å; K9-A95 PolarHBondContact O-N 3.23Å; W17-A95 HydrophobicContact CE3-CB 4.15Å; W17-A95 HydrophobicContact CH2-CB 3.82Å; W17-A95 HydrophobicContact CZ2-CB 4.43Å; W17-A95 HydrophobicContact CZ3-CB 3.67Å; A78-A95 HydrophobicContact CB-CB 4.19Å |
| 96 | C | 86.2 | Confident | 80.4 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.054 | 30% | 0.3 | C | S | . | . | trans | -84.5 | 146.9 | 174 | -64.6 | 0 | 0 | 0 | 0 | 110 | L8 L77 D98 T101 L102 | L8-C96 HydrophobicContact CD2-CB 4.48Å; L77-C96 VanDerWaalsContact O-CB 3.29Å; L77-C96 WeakPolarHBondContact O-CB 3.23Å; L77-C96 PolarHBondContact O-N 2.8Å; C96-D98 VanDerWaalsContact C-N 3.27Å; C96-D98 PolarHBondContact O-N 3.28Å; C96-T101 HydrophobicContact CB-CG2 4.12Å; C96-L102 HydrophobicContact CB-CB 4.03Å | ||
| 97 | P | 84.4 | Confident | 81.4 | Confident | 94 Ų | 94 | 50.3 Ų | 50.3 | 61% | 0.61 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -68.9 | -26.1 | 176.6 | 24.3 | -29.4 | 0 | 0 | 0 | 113.2 | T101 | P97-T101 HydrophobicContact CG-CG2 4.34Š|
| 98 | D | 84.6 | Confident | 82.9 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -155.5 | 163.1 | -174.8 | 67.9 | -71.7 | 0 | 0 | 0 | 111.5 | C96 A100 T101 L102 | C96-D98 VanDerWaalsContact C-N 3.27Å; C96-D98 PolarHBondContact O-N 3.28Å; D98-A100 VanDerWaalsContact C-N 3.3Å; D98-A100 PolarHBondContact O-N 3.44Å; D98-A100 VanDerWaalsContact OD2-CA 3.32Å; D98-A100 WeakPolarHBondContact OD2-CA 3.25Å; D98-A100 WeakPolarHBondContact OD2-CB 3.43Å; D98-A100 PolarHBondContact OD2-N 2.93Å; D98-T101 PolarHBondContact O-N 3.39Å; D98-T101 WeakPolarHBondContact OD1-CB 3.24Å; D98-T101 PolarHBondContact OD1-OG1 2.83Å; D98-T101 PolarHBondContact OD2-N 3.11Å; D98-L102 PolarHBondContact O-N 2.9Å; D98-L102 VanDerWaalsContact O-N 3.12Å |
| 99 | Q | 83 | Confident | 84 | Confident | 105 Ų | 105 | 39.3 Ų | 39.3 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -34.3 | -179.5 | -175.2 | 64.6 | 21.6 | 0 | 0 | 112.3 | L77 L102 S103 | L77-Q99 HydrophobicContact CD2-CB 4.02Å; L77-Q99 VanDerWaalsContact CD2-OE1 3.25Å; Q99-L102 PolarHBondContact O-N 3.48Å; Q99-S103 WeakPolarHBondContact O-CB 3.36Å; Q99-S103 PolarHBondContact O-N 2.86Å; Q99-S103 PolarHBondContact O-OG 2.94Å |
| 100 | A | 86.9 | Confident | 84.7 | Confident | 68 Ų | 68 | 42.9 Ų | 42.9 | 56% | 0.562 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -69.5 | -37.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | D98 S103 S104 | D98-A100 VanDerWaalsContact C-N 3.3Å; D98-A100 PolarHBondContact O-N 3.44Å; D98-A100 VanDerWaalsContact OD2-CA 3.32Å; D98-A100 WeakPolarHBondContact OD2-CA 3.25Å; D98-A100 WeakPolarHBondContact OD2-CB 3.43Å; D98-A100 PolarHBondContact OD2-N 2.93Å; A100-S103 PolarHBondContact O-N 3.3Å; A100-S104 VanDerWaalsContact O-CB 3.31Å; A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 3.15Å |
| 101 | T | 88.8 | Confident | 85.2 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 15% | 0.153 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 171 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | L8 C96 P97 D98 S104 W105 | L8-T101 HydrophobicContact CD2-CG2 4.19Å; C96-T101 HydrophobicContact CB-CG2 4.12Å; P97-T101 HydrophobicContact CG-CG2 4.34Å; D98-T101 PolarHBondContact O-N 3.39Å; D98-T101 WeakPolarHBondContact OD1-CB 3.24Å; D98-T101 PolarHBondContact OD1-OG1 2.83Å; D98-T101 PolarHBondContact OD2-N 3.11Å; T101-S104 PolarHBondContact O-N 3.08Å; T101-W105 PolarHBondContact O-N 3.39Å |
| 102 | L | 85.4 | Confident | 85.5 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.5 | -52.8 | 175.6 | -178.6 | 72.4 | 0 | 0 | 0 | 111.4 | P76 F79 C96 D98 Q99 S104 W105 T106 | P76-L102 VanDerWaalsContact O-CD2 3.27Å; P76-L102 WeakPolarHBondContact O-CD2 3.49Å; F79-L102 HydrophobicContact CD1-CD1 3.87Å; C96-L102 HydrophobicContact CB-CB 4.03Å; D98-L102 PolarHBondContact O-N 2.9Å; D98-L102 VanDerWaalsContact O-N 3.12Å; Q99-L102 PolarHBondContact O-N 3.48Å; L102-S104 PolarHBondContact O-N 2.86Å; L102-W105 PolarHBondContact O-N 3.46Å; L102-W105 VanDerWaalsContact O-N 3.11Å; L102-T106 PolarHBondContact O-N 3.39Å; L102-T106 PolarHBondContact O-OG1 2.91Å; L102-T106 VanDerWaalsContact O-OG1 3.08Å |
| 103 | S | 85.9 | Confident | 85.2 | Confident | 49 Ų | 49 | 39.3 Ų | 39.3 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.3 | -40.1 | 177.5 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | Q99 A100 T106 N107 | Q99-S103 WeakPolarHBondContact O-CB 3.36Å; Q99-S103 PolarHBondContact O-N 2.86Å; Q99-S103 PolarHBondContact O-OG 2.94Å; A100-S103 PolarHBondContact O-N 3.3Å; S103-T106 PolarHBondContact O-N 3.12Å; S103-N107 VanDerWaalsContact O-CB 3.29Å; S103-N107 WeakPolarHBondContact O-CB 3.37Å; S103-N107 PolarHBondContact O-N 3.31Å; S103-N107 PolarHBondContact O-ND2 2.85Å |
| 104 | S | 89.5 | Confident | 84.7 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 177.1 | -174 | 0 | 0 | 0 | 0 | 113.2 | R4 A100 T101 L102 A108 | R4-S104 PolarHBondContact NE-OG 3.08Å; R4-S104 PolarHBondContact NH1-OG 3.03Å; R4-S104 PolarHBondContact NH2-OG 3.18Å; A100-S104 VanDerWaalsContact O-CB 3.31Å; A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 3.15Å; T101-S104 PolarHBondContact O-N 3.08Å; L102-S104 PolarHBondContact O-N 2.86Å; S104-A108 WeakPolarHBondContact O-CB 3.31Å; S104-A108 PolarHBondContact O-N 2.77Å |
| 105 | W | 89.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.011 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 175.2 | -82.2 | 106.3 | 0 | 0 | 0 | 111.5 | R4 L8 C22 L24 F30 T101 L102 A108 L109 | R4-W105 HydrophobicContact CB-CE3 4.29Å; R4-W105 HydrophobicContact CB-CH2 4.44Å; R4-W105 HydrophobicContact CB-CZ3 4.11Å; R4-W105 HydrophobicContact CG-CD2 3.96Å; R4-W105 HydrophobicContact CG-CE3 3.97Å; R4-W105 HydrophobicContact CG-CH2 4.13Å; R4-W105 HydrophobicContact CG-CZ2 4.13Å; R4-W105 HydrophobicContact CG-CZ3 4.05Å; L8-W105 HydrophobicContact CD1-CD2 4.24Å; L8-W105 HydrophobicContact CD1-CZ2 3.9Å; L8-W105 HydrophobicContact CG-CZ2 4.19Å; C22-W105 HydrophobicContact CB-CH2 3.59Å; C22-W105 HydrophobicContact CB-CZ2 3.9Å; C22-W105 HydrophobicContact CB-CZ3 4.48Å; L24-W105 HydrophobicContact CB-CZ3 3.9Å; F30-W105 HydrophobicContact CD2-CZ3 4.06Å; F30-W105 AromaticContact CE2-CE3 3.95Å; F30-W105 HydrophobicContact CE2-CE3 3.95Å; F30-W105 HydrophobicContact CE2-CH2 4.03Å; F30-W105 AromaticContact CE2-CZ3 3.45Å; F30-W105 HydrophobicContact CE2-CZ3 3.45Å; F30-W105 VanDerWaalsContact CE2-CZ3 3.45Å; F30-W105 HydrophobicContact CZ-CZ3 4.49Å; T101-W105 PolarHBondContact O-N 3.39Å; L102-W105 PolarHBondContact O-N 3.46Å; L102-W105 VanDerWaalsContact O-N 3.11Å; W105-A108 PolarHBondContact O-N 3.12Å; W105-L109 WeakPolarHBondContact O-CG 3.39Å; W105-L109 PolarHBondContact O-N 3.16Å |
| 106 | T | 84.2 | Confident | 81.8 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | L102 S103 A108 L109 M110 | L102-T106 PolarHBondContact O-N 3.39Å; L102-T106 PolarHBondContact O-OG1 2.91Å; L102-T106 VanDerWaalsContact O-OG1 3.08Å; S103-T106 PolarHBondContact O-N 3.12Å; T106-A108 VanDerWaalsContact C-N 3.32Å; T106-A108 PolarHBondContact O-N 2.58Å; T106-L109 PolarHBondContact O-N 3.45Å; T106-M110 HydrophobicContact CG2-CE 4.22Å; T106-M110 HydrophobicContact CG2-CG 4.35Å; T106-M110 WeakPolarHBondContact O-CB 3.31Å; T106-M110 VanDerWaalsContact O-CG 3.24Å; T106-M110 WeakPolarHBondContact O-CG 3.16Å; T106-M110 PolarHBondContact O-N 3.43Å |
| 107 | N | 86.7 | Confident | 79.9 | Confident | 111 Ų | 111 | 57.5 Ų | 57.5 | 59% | 0.594 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.3 | -40.1 | 176.8 | -71.7 | -17.4 | 0 | 0 | 0 | 112 | S103 M110 S111 | S103-N107 VanDerWaalsContact O-CB 3.29Å; S103-N107 WeakPolarHBondContact O-CB 3.37Å; S103-N107 PolarHBondContact O-N 3.31Å; S103-N107 PolarHBondContact O-ND2 2.85Å; N107-M110 PolarHBondContact O-N 3.09Å; N107-S111 WeakPolarHBondContact O-CB 3.4Å; N107-S111 PolarHBondContact O-N 3.04Å |
| 108 | A | 87.9 | Confident | 77.7 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 7% | 0.074 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I3 R4 L24 S104 W105 T106 S111 L112 | I3-A108 HydrophobicContact CG2-CB 3.88Å; R4-A108 HydrophobicContact CB-CB 3.87Å; R4-A108 HydrophobicContact CG-CB 4.46Å; L24-A108 HydrophobicContact CD2-CB 3.77Å; S104-A108 WeakPolarHBondContact O-CB 3.31Å; S104-A108 PolarHBondContact O-N 2.77Å; W105-A108 PolarHBondContact O-N 3.12Å; T106-A108 VanDerWaalsContact C-N 3.32Å; T106-A108 PolarHBondContact O-N 2.58Å; A108-S111 PolarHBondContact O-N 2.84Å; A108-S111 PolarHBondContact O-OG 2.88Å; A108-L112 PolarHBondContact O-N 2.82Å |
| 109 | L | 85.7 | Confident | 75.6 | Confident | 12 Ų | 12 | 60.8 Ų | 60.8 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 173.8 | -69.9 | 166.6 | 0 | 0 | 0 | 111.4 | L24 I47 W105 T106 S111 L112 F113 | L24-L109 HydrophobicContact CD1-CD2 3.96Å; L24-L109 HydrophobicContact CD2-CD2 4.07Å; L24-L109 HydrophobicContact CD2-CG 4.35Å; I47-L109 HydrophobicContact CD1-CD2 4.3Å; I47-L109 HydrophobicContact CG1-CD2 4.08Å; I47-L109 HydrophobicContact CG2-CD2 3.8Å; W105-L109 WeakPolarHBondContact O-CG 3.39Å; W105-L109 PolarHBondContact O-N 3.16Å; T106-L109 PolarHBondContact O-N 3.45Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 2.85Å; L109-L112 WeakPolarHBondContact O-CB 3.33Å; L109-L112 PolarHBondContact O-N 3.32Å; L109-F113 HydrophobicContact CB-CE2 4.4Å; L109-F113 WeakPolarHBondContact O-CD2 3.23Å; L109-F113 WeakPolarHBondContact O-CE2 3.39Å |
| 110 | M | 81.7 | Confident | 73.6 | Confident | 99 Ų | 99 | 61.9 Ų | 61.9 | 49% | 0.488 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | 177.5 | -67.1 | -59.6 | 170.6 | 0 | 0 | 112.3 | T106 N107 L112 F113 Q114 | T106-M110 HydrophobicContact CG2-CE 4.22Å; T106-M110 HydrophobicContact CG2-CG 4.35Å; T106-M110 WeakPolarHBondContact O-CB 3.31Å; T106-M110 VanDerWaalsContact O-CG 3.24Å; T106-M110 WeakPolarHBondContact O-CG 3.16Å; T106-M110 PolarHBondContact O-N 3.43Å; N107-M110 PolarHBondContact O-N 3.09Å; M110-L112 VanDerWaalsContact C-N 3.25Å; M110-L112 PolarHBondContact O-N 3.28Å; M110-F113 PolarHBondContact O-N 3.17Å; M110-F113 VanDerWaalsContact O-N 3.09Å; M110-F113 HydrophobicContact SD-CD2 4.09Å; M110-Q114 PolarHBondContact O-N 3.02Å |
| 111 | S | 84 | Confident | 71.2 | Confident | 33 Ų | 33 | 64 Ų | 64 | 23% | 0.231 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.4 | -35 | 176.7 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | N107 A108 L109 F113 Q114 Q115 | N107-S111 WeakPolarHBondContact O-CB 3.4Å; N107-S111 PolarHBondContact O-N 3.04Å; A108-S111 PolarHBondContact O-N 2.84Å; A108-S111 PolarHBondContact O-OG 2.88Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 2.85Å; S111-F113 VanDerWaalsContact C-N 3.32Å; S111-F113 PolarHBondContact O-N 2.87Å; S111-Q114 PolarHBondContact O-N 2.83Å; S111-Q115 VanDerWaalsContact O-CG 3.31Å; S111-Q115 WeakPolarHBondContact O-CG 3.33Å; S111-Q115 PolarHBondContact O-N 3.19Å |
| 112 | L | 82.9 | Confident | 68.9 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.1 | -32.2 | 176.3 | -78 | 171.2 | 0 | 0 | 0 | 113.1 | I3 L24 N26 A108 L109 M110 | I3-L112 HydrophobicContact CD1-CD1 4.17Å; I3-L112 HydrophobicContact CD1-CD2 3.32Å; I3-L112 HydrophobicContact CD1-CG 3.53Å; L24-L112 HydrophobicContact CD1-CD1 3.52Å; L24-L112 HydrophobicContact CD2-CD1 3.74Å; L24-L112 HydrophobicContact CG-CD1 3.72Å; N26-L112 WeakPolarHBondContact O-CD2 3.37Å; A108-L112 PolarHBondContact O-N 2.82Å; L109-L112 WeakPolarHBondContact O-CB 3.33Å; L109-L112 PolarHBondContact O-N 3.32Å; M110-L112 VanDerWaalsContact C-N 3.25Å; M110-L112 PolarHBondContact O-N 3.28Å |
| 113 | F | 76.2 | Confident | 67.1 | Low | 57 Ų | 57 | 70.9 Ų | 70.9 | 25% | 0.25 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -79.1 | -29.2 | 178.1 | -55.5 | -48.2 | 0 | 0 | 0 | 112 | I47 A51 L54 L109 M110 S111 T116 | I47-F113 HydrophobicContact CG2-CE1 3.86Å; I47-F113 HydrophobicContact CG2-CZ 3.53Å; A51-F113 HydrophobicContact CB-CD1 4.25Å; A51-F113 HydrophobicContact CB-CE1 3.36Å; A51-F113 HydrophobicContact CB-CZ 3.52Å; L54-F113 HydrophobicContact CD1-CE2 4.17Å; L54-F113 HydrophobicContact CD1-CZ 3.89Å; L109-F113 HydrophobicContact CB-CE2 4.4Å; L109-F113 WeakPolarHBondContact O-CD2 3.23Å; L109-F113 WeakPolarHBondContact O-CE2 3.39Å; M110-F113 PolarHBondContact O-N 3.17Å; M110-F113 VanDerWaalsContact O-N 3.09Å; M110-F113 HydrophobicContact SD-CD2 4.09Å; S111-F113 VanDerWaalsContact C-N 3.32Å; S111-F113 PolarHBondContact O-N 2.87Å; F113-T116 PolarHBondContact O-OG1 2.99Å |
| 114 | Q | 72.4 | Confident | 65.5 | Low | 135 Ų | 135 | 73.7 Ų | 73.7 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -75.9 | -33.4 | 173.7 | -69 | 178.5 | -7.1 | 0 | 0 | 112.3 | M110 S111 T116 S117 | M110-Q114 PolarHBondContact O-N 3.02Å; S111-Q114 PolarHBondContact O-N 2.83Å; Q114-T116 PolarHBondContact O-N 2.95Å; Q114-T116 VanDerWaalsContact O-N 3.12Å; Q114-S117 PolarHBondContact O-N 3.19Å; Q114-S117 VanDerWaalsContact O-N 3.12Å; Q114-S117 PolarHBondContact O-OG 3.14Å |
| 115 | Q | 60 | Low | 63.4 | Low | 74 Ų | 74 | 77.8 Ų | 77.8 | 35% | 0.346 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -61.2 | -23.7 | 178.4 | -77.2 | 175.4 | 19.8 | 0 | 0 | 113.5 | N26 S111 S117 I118 | N26-Q115 PolarHBondContact OD1-NE2 3.2Å; N26-Q115 PolarHBondContact OD1-OE1 2.63Å; S111-Q115 VanDerWaalsContact O-CG 3.31Å; S111-Q115 WeakPolarHBondContact O-CG 3.33Å; S111-Q115 PolarHBondContact O-N 3.19Å; Q115-S117 PolarHBondContact O-N 3.2Å; Q115-I118 PolarHBondContact O-N 3.44Å |
| 116 | T | 53.4 | Low | 61 | Low | 91 Ų | 91 | 88.4 Ų | 88.4 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -72.4 | -6 | 177.1 | 31.8 | 0 | 0 | 0 | 0 | 115 | F113 Q114 | F113-T116 PolarHBondContact O-OG1 2.99Å; Q114-T116 PolarHBondContact O-N 2.95Å; Q114-T116 VanDerWaalsContact O-N 3.12Å |
| 117 | S | 44.5 | Very low | 58.9 | Low | 98 Ų | 98 | 94.7 Ų | 94.7 | 69% | 0.685 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -93.1 | -1.7 | 171.1 | 58 | 0 | 0 | 0 | 0 | 114.1 | Q114 Q115 | Q114-S117 PolarHBondContact O-N 3.19Å; Q114-S117 VanDerWaalsContact O-N 3.12Å; Q114-S117 PolarHBondContact O-OG 3.14Å; Q115-S117 PolarHBondContact O-N 3.2Å |
| 118 | I | 39.6 | Very low | 57 | Low | 120 Ų | 120 | 94.8 Ų | 94.8 | 62% | 0.615 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -99.7 | 109.4 | 171.9 | -53.5 | 168.4 | 0 | 0 | 0 | 106.6 | Q115 | Q115-I118 PolarHBondContact O-N 3.44Š|
| 119 | P | 39 | Very low | 54.7 | Low | 103 Ų | 103 | 100.1 Ų | 100.1 | 67% | 0.669 | 58% | 0.581 | S | S | * | * | trans | -53.6 | 140.7 | 168.6 | 24.6 | -32.2 | 0 | 0 | 0 | 107.5 | S121 | P119-S121 PolarHBondContact O-N 3.48Š| ||
| 120 | P | 42.1 | Very low | 52.8 | Low | 128 Ų | 128 | 107.8 Ų | 107.8 | 83% | 0.831 | 62% | 0.621 | S | S | * | * | trans | -50.7 | 112.8 | 178.2 | 21.2 | -31.2 | 0 | 0 | 0 | 107.5 | A122 | P120-A122 PolarHBondContact O-N 2.9Š| ||
| 121 | S | 36.2 | Very low | 51.3 | Low | 111 Ų | 111 | 107 Ų | 107 | 78% | 0.776 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -52 | 117.6 | 171.5 | 176.6 | 0 | 0 | 0 | 0 | 104.9 | P119 | P119-S121 PolarHBondContact O-N 3.48Š|
| 122 | A | 39.8 | Very low | 49.6 | Very low | 75 Ų | 75 | 111.4 Ų | 111.4 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 139.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | P120 | P120-A122 PolarHBondContact O-N 2.9Š|
| 123 | P | 49.2 | Very low | 47.6 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 140.1 | 172.7 | 22.4 | -31.8 | 0 | 0 | 0 | 107.8 | ||
| 124 | P | 51.3 | Low | 46.2 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 135 | 177 | 21.7 | -31.7 | 0 | 0 | 0 | 107.8 | Y126 | P124-Y126 PolarHBondContact O-N 2.98Š|
| 125 | P | 46.1 | Very low | 45.2 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 125.3 | 175.1 | 21.8 | -30.6 | 0 | 0 | 0 | 106.6 | Q127 | P125-Q127 VanDerWaalsContact C-N 3.29Å; P125-Q127 PolarHBondContact O-N 3.13Å |
| 126 | Y | 38 | Very low | 44.3 | Very low | 227 Ų | 227 | 124.7 Ų | 124.7 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -50.2 | 103.1 | 169.1 | -98.4 | -95.2 | 0 | 0 | 0 | 106.2 | P124 P128 | P124-Y126 PolarHBondContact O-N 2.98Å; Y126-P128 VanDerWaalsContact O-CD 3.31Å; Y126-P128 WeakPolarHBondContact O-CD 3.48Å | ||
| 127 | Q | 39.9 | Very low | 43.7 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62 | 121.5 | 166.1 | -84.7 | -177.3 | -86.8 | 0 | 0 | 105.3 | P125 S129 | P125-Q127 VanDerWaalsContact C-N 3.29Å; P125-Q127 PolarHBondContact O-N 3.13Å; Q127-S129 PolarHBondContact O-N 2.93Å |
| 128 | P | 46.9 | Very low | 43.3 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 124.7 | 166.7 | -11.5 | 25.6 | 0 | 0 | 0 | 106.2 | Y126 L130 | Y126-P128 VanDerWaalsContact O-CD 3.31Å; Y126-P128 WeakPolarHBondContact O-CD 3.48Å; P128-L130 PolarHBondContact O-N 3.31Å |
| 129 | S | 39.6 | Very low | 43.1 | Very low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 119.7 | 169 | -77.6 | 0 | 0 | 0 | 0 | 108.6 | Q127 A131 | Q127-S129 PolarHBondContact O-N 2.93Å; S129-A131 PolarHBondContact O-N 2.7Å |
| 130 | L | 47.1 | Very low | 43 | Very low | 173 Ų | 173 | 124 Ų | 124 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -55.3 | 109.7 | 168.2 | -91 | 152.1 | 0 | 0 | 0 | 107.7 | P128 | P128-L130 PolarHBondContact O-N 3.31Š| ||
| 131 | A | 50.1 | Low | 42.7 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 149.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S129 | S129-A131 PolarHBondContact O-N 2.7Š|
| 132 | P | 47.8 | Very low | 42.7 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 142.3 | -175.2 | -15 | 29.6 | 0 | 0 | 0 | 112 | ||
| 133 | A | 40.4 | Very low | 42.7 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 131.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 134 | Q | 47.4 | Very low | 42.6 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 135.8 | 157.7 | -84.1 | -169.7 | -71.4 | 0 | 0 | 110.2 | ||
| 135 | P | 50.8 | Low | 42.1 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 157 | -179.5 | 30.7 | -33 | 0 | 0 | 0 | 113 | ||
| 136 | P | 40.4 | Very low | 42 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 136.5 | -165.5 | 34.3 | -32.3 | 0 | 0 | 0 | 112.4 | ||
| 137 | G | 40.9 | Very low | 42 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -141 | 111.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 138 | S | 36.8 | Very low | 42 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 65.1 | 99.1 | 136.8 | -160.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 139 | I | 36.2 | Very low | 41.4 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | 41.3 | 124.8 | 115.8 | -51 | 160.6 | 0 | 0 | 0 | 118.9 | |||||
| 140 | G | 37.1 | Very low | 41.3 | Very low | 63 Ų | 63 | 128.3 Ų | 128.3 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | 146.9 | 99.4 | 138.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 141 | F | 34.9 | Very low | 40.8 | Very low | 213 Ų | 213 | 123.7 Ų | 123.7 | 93% | 0.934 | 80% | 0.795 | S | S | * | * | trans | 39 | 129.5 | 141.9 | -63.4 | -87.6 | 0 | 0 | 0 | 123.5 | ||||
| 142 | G | 36.8 | Very low | 40.3 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 145.4 | 100.4 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 143 | M | 40.4 | Very low | 40 | Very low | 185 Ų | 185 | 127.5 Ų | 127.5 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -16.7 | 173.6 | 154.7 | -102.5 | -158.7 | 167.5 | 0 | 0 | 121.4 | ||||
| 144 | P | 46.9 | Very low | 39.9 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | cis | -133.3 | 175.5 | -44.7 | 33.3 | -12.2 | 0 | 0 | 0 | 113.6 | ||||
| 145 | D | 40.5 | Very low | 39.3 | Very low | 143 Ų | 143 | 120.3 Ų | 120.3 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -64.8 | 144.8 | -176.6 | -171 | -0.7 | 0 | 0 | 0 | 116 | ||||
| 146 | P | 43.1 | Very low | 38.9 | Very low | 107 Ų | 107 | 126 Ų | 126 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -114.1 | 111.1 | 153.8 | 32.7 | -16.9 | 0 | 0 | 0 | 112.4 | A148 | P146-A148 PolarHBondContact O-N 3.21Š| ||
| 147 | T | 39.2 | Very low | 39.1 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -39.7 | 117.4 | 147.6 | 46.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 148 | A | 38.7 | Very low | 40 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -168 | 117.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P146 | P146-A148 PolarHBondContact O-N 3.21Š| ||
| 149 | Y | 35.3 | Very low | 41.5 | Very low | 234 Ų | 234 | 125.7 Ų | 125.7 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | trans | 87.7 | 110.4 | 136.3 | -111.3 | -99.1 | 0 | 0 | 0 | 120.9 | ||||
| 150 | G | 37 | Very low | 42.9 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 81.4 | 133.7 | 145.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 151 | G | 37 | Very low | 44.2 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | cis | 163.3 | 121.6 | 11.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 152 | N | 38.5 | Very low | 45.4 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 67 | 145.1 | 145.1 | -134.1 | 28.1 | 0 | 0 | 0 | 122 | ||||
| 153 | P | 41.1 | Very low | 45.9 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -111.3 | 171.4 | -159.9 | 43.7 | -34.2 | 0 | 0 | 0 | 114.9 | ||||
| 154 | G | 38.4 | Very low | 45.9 | Very low | 76 Ų | 76 | 122 Ų | 122 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | 153.6 | 113.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 155 | G | 36 | Very low | 45.9 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | 125.6 | 85.8 | 50.4 | 0 | 0 | 0 | 0 | 0 | 106 | |||||
| 156 | Y | 41.9 | Very low | 46.2 | Very low | 236 Ų | 236 | 123.3 Ų | 123.3 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -145.3 | 117.9 | 164.5 | -82.2 | -80.1 | 0 | 0 | 0 | 107.1 | ||||
| 157 | G | 43.9 | Very low | 45.9 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 168.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 158 | P | 61.2 | Low | 45.7 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 147.7 | -175 | 27.8 | -33.8 | 0 | 0 | 0 | 111.6 | ||
| 159 | P | 67.9 | Low | 45.5 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 149.3 | 174.9 | 27.6 | -33.7 | 0 | 0 | 0 | 110.9 | ||
| 160 | P | 64.2 | Low | 45.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 147 | 175 | 26.1 | -32.5 | 0 | 0 | 0 | 110.8 | ||
| 161 | P | 66.1 | Low | 45.9 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 148.2 | -177.9 | 26.4 | -33.4 | 0 | 0 | 0 | 111.4 | I163 | P161-I163 PolarHBondContact O-N 3.44Š|
| 162 | P | 60.3 | Low | 46.1 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 127.6 | 178.2 | 25.1 | -31.6 | 0 | 0 | 0 | 110 | S164 | P162-S164 PolarHBondContact O-N 3.14Å; P162-S164 VanDerWaalsContact O-N 3.08Å |
| 163 | I | 46.6 | Very low | 46 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | trans | -66.8 | 108.1 | 171.5 | -57.2 | 170.7 | 0 | 0 | 0 | 106.8 | P161 Q165 | P161-I163 PolarHBondContact O-N 3.44Å; I163-Q165 PolarHBondContact O-N 3.23Å | ||
| 164 | S | 40.9 | Very low | 45.8 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -57.1 | 107.7 | 170 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | P162 | P162-S164 PolarHBondContact O-N 3.14Å; P162-S164 VanDerWaalsContact O-N 3.08Å | ||
| 165 | Q | 45.7 | Very low | 45.5 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -69 | 135.7 | 168.8 | -78.8 | -172.4 | -18.6 | 0 | 0 | 109.4 | I163 N167 | I163-Q165 PolarHBondContact O-N 3.23Å; Q165-N167 PolarHBondContact O-N 3.08Å | ||
| 166 | P | 47.2 | Very low | 45.9 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | -66.2 | 118.9 | 171.1 | 25.3 | -29.1 | 0 | 0 | 0 | 109.2 | Y168 | P166-Y168 VanDerWaalsContact C-N 3.29Å; P166-Y168 HydrophobicContact CB-CD2 4.26Å; P166-Y168 PolarHBondContact O-N 3.49Å | ||
| 167 | N | 37.4 | Very low | 46.2 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -66.1 | 85.5 | 170 | -175.3 | 15.5 | 0 | 0 | 0 | 109.1 | Q165 G169 | Q165-N167 PolarHBondContact O-N 3.08Å; N167-G169 PolarHBondContact O-N 2.77Å | ||
| 168 | Y | 35.2 | Very low | 46.4 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -83.1 | 95.7 | 166.1 | -99.1 | -88.5 | 0 | 0 | 0 | 108.1 | P166 Y170 | P166-Y168 VanDerWaalsContact C-N 3.29Å; P166-Y168 HydrophobicContact CB-CD2 4.26Å; P166-Y168 PolarHBondContact O-N 3.49Å; Y168-Y170 PolarHBondContact O-N 2.77Å | ||
| 169 | G | 34.6 | Very low | 45.5 | Very low | 60 Ų | 60 | 133.6 Ų | 133.6 | 62% | 0.619 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 120.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | N167 P171 | N167-G169 PolarHBondContact O-N 2.77Å; G169-P171 WeakPolarHBondContact O-CD 3.17Å |
| 170 | Y | 34.3 | Very low | 44.5 | Very low | 221 Ų | 221 | 134.5 Ų | 134.5 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 123.4 | 169.8 | -86.3 | -96.3 | 0 | 0 | 0 | 108.6 | Y168 T172 | Y168-Y170 PolarHBondContact O-N 2.77Å; Y170-T172 PolarHBondContact O-N 3.43Å |
| 171 | P | 46.3 | Very low | 43.7 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 129 | 165.6 | 26.9 | -29.9 | 0 | 0 | 0 | 108.2 | G169 | G169-P171 WeakPolarHBondContact O-CD 3.17Š|
| 172 | T | 41.5 | Very low | 42.6 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 141 | 175.4 | -163.4 | 0 | 0 | 0 | 0 | 110.7 | Y170 N174 | Y170-T172 PolarHBondContact O-N 3.43Å; T172-N174 PolarHBondContact O-N 3.08Å |
| 173 | N | 36.3 | Very low | 41.7 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 125.2 | 172.6 | -96.5 | -64.4 | 0 | 0 | 0 | 111.5 | ||
| 174 | N | 36.9 | Very low | 41.7 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -147.7 | 84.3 | 149.7 | -94 | -15.6 | 0 | 0 | 0 | 107.2 | T172 V176 | T172-N174 PolarHBondContact O-N 3.08Å; N174-V176 PolarHBondContact O-N 2.93Å; N174-V176 VanDerWaalsContact O-N 3.14Å | ||
| 175 | Y | 31.2 | Very low | 41.7 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -70.3 | 104.8 | 168.3 | -174.8 | -96.2 | 0 | 0 | 0 | 108.2 | ||||
| 176 | V | 45.3 | Very low | 41.4 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 121.7 | 170.1 | -178 | 0 | 0 | 0 | 0 | 107.1 | N174 | N174-V176 PolarHBondContact O-N 2.93Å; N174-V176 VanDerWaalsContact O-N 3.14Å |
| 177 | P | 47.3 | Very low | 40.9 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 60% | 0.597 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 147.2 | 176.3 | 25.2 | -32.4 | 0 | 0 | 0 | 110.6 | A179 | P177-A179 PolarHBondContact O-N 2.82Š|
| 178 | P | 48.1 | Very low | 40.8 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 126.2 | -178.9 | -19.2 | 30 | 0 | 0 | 0 | 111.2 | V180 | P178-V180 PolarHBondContact O-N 3.47Š|
| 179 | A | 43.1 | Very low | 40.8 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 131.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | P177 | P177-A179 PolarHBondContact O-N 2.82Š|
| 180 | V | 47 | Very low | 40.7 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 124.3 | 174 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | P178 | P178-V180 PolarHBondContact O-N 3.47Š|
| 181 | P | 46.1 | Very low | 40.6 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138.3 | 176.6 | 24.2 | -30.8 | 0 | 0 | 0 | 109.9 | A183 | P181-A183 PolarHBondContact O-N 2.79Š|
| 182 | P | 44.4 | Very low | 40 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 135.3 | -177.2 | 23.7 | -31.4 | 0 | 0 | 0 | 111.1 | R184 | P182-R184 PolarHBondContact O-N 2.78Š|
| 183 | A | 41.2 | Very low | 39.8 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P181 | P181-A183 PolarHBondContact O-N 2.79Š|
| 184 | R | 46.1 | Very low | 39.6 | Very low | 237 Ų | 237 | 123.7 Ų | 123.7 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 138.2 | 175.8 | -129.6 | 177.7 | -166.2 | -164.7 | 3.3 | 109.4 | P182 | P182-R184 PolarHBondContact O-N 2.78Š|
| 185 | P | 40.5 | Very low | 39.4 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 136.4 | -175.6 | -17.2 | 30 | 0 | 0 | 0 | 111.8 | A187 | P185-A187 PolarHBondContact O-N 3.05Š|
| 186 | A | 39.1 | Very low | 39.4 | Very low | 100 Ų | 100 | 118.7 Ų | 118.7 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 187 | A | 38.2 | Very low | 38.7 | Very low | 93 Ų | 93 | 118.7 Ų | 118.7 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | P185 | P185-A187 PolarHBondContact O-N 3.05Š|
| 188 | P | 34.2 | Very low | 37.8 | Very low | 135 Ų | 135 | 125 Ų | 125 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -79.5 | 127.1 | -172.4 | 3.3 | 14.1 | 0 | 0 | 0 | 110.6 | ||
| 189 | G | 35.2 | Very low | 36.8 | Very low | 78 Ų | 78 | 124.9 Ų | 124.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 117.8 | 82.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 190 | A | 31.6 | Very low | 36 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -169.6 | 90.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 191 | Y | 32.6 | Very low | 34.9 | Very low | 217 Ų | 217 | 127.8 Ų | 127.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | 15.2 | 115.3 | 149.4 | -143.3 | -108 | 0 | 0 | 0 | 119.2 | P193 | Y191-P193 HydrophobicContact CD1-CG 4Å; Y191-P193 HydrophobicContact CE1-CG 3.9Å | ||
| 192 | V | 34.8 | Very low | 34 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -105.2 | 126.2 | 162.7 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 193 | P | 37.9 | Very low | 33.3 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | -129.3 | 119.1 | 143.9 | 33.9 | -20.1 | 0 | 0 | 0 | 107.8 | Y191 | Y191-P193 HydrophobicContact CD1-CG 4Å; Y191-P193 HydrophobicContact CE1-CG 3.9Å | ||
| 194 | G | 31.2 | Very low | 32.6 | Very low | 54 Ų | 54 | 127.6 Ų | 127.6 | 56% | 0.557 | 77% | 0.77 | S | S | * | * | 109.4 | 111 | 70 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 195 | T | 32.3 | Very low | 31.8 | Very low | 139 Ų | 139 | 122.7 Ų | 122.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 83.7 | 141.6 | 149.1 | 71 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 196 | S | 32.1 | Very low | 31.2 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | 77.8 | 99.7 | 156.4 | 37.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 197 | S | 29.2 | Very low | 30.7 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | 51.5 | 127.9 | 115.8 | -43.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 198 | Y | 28.6 | Very low | 30.6 | Very low | 225 Ų | 225 | 127.9 Ų | 127.9 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | 98.5 | 110.3 | 149.1 | -141.7 | -99.7 | 0 | 0 | 0 | 117.8 | ||||
| 199 | S | 27 | Very low | 30.6 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 42.1 | 117.7 | 138.1 | -149.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 200 | G | 26.5 | Very low | 30.5 | Very low | 59 Ų | 59 | 129.3 Ų | 129.3 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | 130.4 | 121.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 201 | Y | 25 | Very low | 30.9 | Very low | 229 Ų | 229 | 130.8 Ų | 130.8 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | trans | 50.8 | 107.1 | 144.6 | -67.3 | -84.9 | 0 | 0 | 0 | 120.5 | ||||
| 202 | Q | 26.6 | Very low | 30.9 | Very low | 172 Ų | 172 | 125 Ų | 125 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | 145.1 | 121.1 | 116.5 | -84.2 | -167.7 | -99.2 | 0 | 0 | 110.9 | |||||
| 203 | P | 28.8 | Very low | 31.4 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | trans | -78.9 | 122.3 | 137.3 | 8.4 | 10.7 | 0 | 0 | 0 | 107.2 | ||||
| 204 | G | 26.7 | Very low | 31.5 | Very low | 43 Ų | 43 | 121.8 Ų | 121.8 | 44% | 0.443 | 71% | 0.707 | S | S | . | * | trans | -57.5 | 175.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q206 | G204-Q206 VanDerWaalsContact C-N 3.3Å; G204-Q206 PolarHBondContact O-N 2.94Å | ||
| 205 | P | 29.6 | Very low | 32 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | trans | -63.2 | 93.9 | -176.4 | 27.7 | -32.1 | 0 | 0 | 0 | 109.1 | D207 | P205-D207 PolarHBondContact O-N 3.24Å; P205-D207 VanDerWaalsContact O-N 3.09Å | ||
| 206 | Q | 27.9 | Very low | 32.7 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 77% | 0.771 | 70% | 0.697 | S | S | * | * | trans | -67.3 | 105.8 | 160.2 | -108.9 | 175.7 | -28.4 | 0 | 0 | 104.4 | G204 | G204-Q206 VanDerWaalsContact C-N 3.3Å; G204-Q206 PolarHBondContact O-N 2.94Å | ||
| 207 | D | 28.7 | Very low | 33.6 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | trans | -30.6 | 127.2 | 157.5 | -94.4 | -65.3 | 0 | 0 | 0 | 108.7 | P205 Q209 | P205-D207 PolarHBondContact O-N 3.24Å; P205-D207 VanDerWaalsContact O-N 3.09Å; D207-Q209 PolarHBondContact O-N 2.85Å | ||
| 208 | P | 37.3 | Very low | 34.2 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | -64.8 | 91.5 | 171.5 | 26 | -29.2 | 0 | 0 | 0 | 106.6 | G210 | P208-G210 PolarHBondContact O-N 2.92Š| ||
| 209 | Q | 33 | Very low | 34.7 | Very low | 187 Ų | 187 | 116.6 Ų | 116.6 | 87% | 0.874 | 67% | 0.666 | S | S | * | * | trans | -48.7 | 107.8 | 166.6 | -89.6 | -170.8 | -44.9 | 0 | 0 | 106.7 | D207 | D207-Q209 PolarHBondContact O-N 2.85Š| ||
| 210 | G | 32.8 | Very low | 35.5 | Very low | 56 Ų | 56 | 115.3 Ų | 115.3 | 58% | 0.577 | 66% | 0.655 | S | S | * | * | trans | 17.9 | 101.8 | 170 | 0 | 0 | 0 | 0 | 0 | 116.4 | P208 C212 | P208-G210 PolarHBondContact O-N 2.92Å; G210-C212 VanDerWaalsContact C-N 3.28Å; G210-C212 PolarHBondContact O-N 2.87Å | ||
| 211 | Q | 40.4 | Very low | 36.3 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | trans | -58 | 102.1 | 148.4 | -74.1 | -173.5 | 9.3 | 0 | 0 | 107.2 | F213 | Q211-F213 HydrophobicContact CB-CD2 4.23Å; Q211-F213 HydrophobicContact CB-CE2 3.62Å; Q211-F213 HydrophobicContact CB-CZ 3.9Å; Q211-F213 WeakPolarHBondContact O-CD2 3.07Å; Q211-F213 PolarHBondContact O-N 2.88Å | ||
| 212 | C | 33.3 | Very low | 37 | Very low | 96 Ų | 96 | 115.6 Ų | 115.6 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | trans | -67.9 | 100 | 169.6 | -66.8 | 0 | 0 | 0 | 0 | 107.4 | G210 V214 P220 | G210-C212 VanDerWaalsContact C-N 3.28Å; G210-C212 PolarHBondContact O-N 2.87Å; C212-V214 PolarHBondContact O-N 3.35Å; C212-P220 HydrophobicContact CB-CB 4.28Å | ||
| 213 | F | 43.9 | Very low | 38 | Very low | 68 Ų | 68 | 110.2 Ų | 110.2 | 30% | 0.298 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 110.9 | 169.4 | -64.1 | -87.4 | 0 | 0 | 0 | 108.1 | Q211 A215 P220 Y221 V223 | Q211-F213 HydrophobicContact CB-CD2 4.23Å; Q211-F213 HydrophobicContact CB-CE2 3.62Å; Q211-F213 HydrophobicContact CB-CZ 3.9Å; Q211-F213 WeakPolarHBondContact O-CD2 3.07Å; Q211-F213 PolarHBondContact O-N 2.88Å; F213-A215 PolarHBondContact O-N 3.44Å; F213-P220 CarbonylContact O-C 3.49Å; F213-P220 WeakPolarHBondContact O-CA 2.84Å; F213-Y221 HydrophobicContact CB-CD1 3.7Å; F213-Y221 HydrophobicContact CB-CD2 3.81Å; F213-Y221 HydrophobicContact CB-CE1 3.38Å; F213-Y221 HydrophobicContact CB-CE2 3.48Å; F213-Y221 VanDerWaalsContact CB-CE2 3.48Å; F213-Y221 HydrophobicContact CB-CG 3.91Å; F213-Y221 HydrophobicContact CD2-CE2 4.31Å; F213-Y221 WeakPolarHBondContact CD2-O 3.02Å; F213-Y221 HydrophobicContact CG-CD2 4.39Å; F213-Y221 HydrophobicContact CG-CE1 4.5Å; F213-Y221 AromaticContact CG-CE2 3.87Å; F213-Y221 HydrophobicContact CG-CE2 3.87Å; F213-Y221 AromaticContact CG-CZ 3.94Å; F213-Y221 PolarHBondContact N-O 3.32Å; F213-Y221 WeakPolarHBondContact O-CD1 2.96Å; F213-Y221 PolarHBondContact O-N 3.4Å; F213-V223 HydrophobicContact CD2-CG2 3.72Å; F213-V223 HydrophobicContact CE2-CB 4.1Å; F213-V223 HydrophobicContact CE2-CG2 3.59Å; F213-V223 HydrophobicContact CG-CG2 4.33Å; F213-V223 HydrophobicContact CZ-CG2 4.09Å |
| 214 | V | 40 | Very low | 38.6 | Very low | 102 Ų | 102 | 110.4 Ų | 110.4 | 62% | 0.618 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 111.6 | 179.7 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | C212 G218 | C212-V214 PolarHBondContact O-N 3.35Å; V214-G218 VanDerWaalsContact CG1-CA 3.47Å |
| 215 | A | 42.9 | Very low | 39.2 | Very low | 32 Ų | 32 | 116.6 Ų | 116.6 | 26% | 0.264 | 63% | 0.633 | S | S | . | * | trans | -62.5 | 162.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F213 N217 G218 Q219 Y221 | F213-A215 PolarHBondContact O-N 3.44Å; A215-N217 WeakPolarHBondContact CB-OD1 3.41Å; A215-N217 PolarHBondContact O-N 3.34Å; A215-G218 PolarHBondContact O-N 2.75Å; A215-Q219 WeakPolarHBondContact CB-O 3.22Å; A215-Q219 PolarHBondContact N-O 3.01Å; A215-Y221 HydrophobicContact CB-CD1 4.06Å; A215-Y221 HydrophobicContact CB-CE1 4.3Å | ||
| 216 | Q | 47.3 | Very low | 39.8 | Very low | 201 Ų | 201 | 116.8 Ų | 116.8 | 94% | 0.939 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -12.5 | -176.6 | -149.9 | 174.3 | 19.6 | 0 | 0 | 114.3 | ||
| 217 | N | 50.9 | Low | 40.3 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 8.6 | 176.1 | 64.8 | -5.4 | 0 | 0 | 0 | 114.2 | A215 Q219 | A215-N217 WeakPolarHBondContact CB-OD1 3.41Å; A215-N217 PolarHBondContact O-N 3.34Å; N217-Q219 VanDerWaalsContact C-N 3.32Å; N217-Q219 PolarHBondContact O-N 3.07Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.48Å; N217-Q219 PolarHBondContact OD1-N 3.42Å |
| 218 | G | 41.4 | Very low | 40.6 | Very low | 52 Ų | 52 | 113 Ų | 113 | 54% | 0.536 | 63% | 0.632 | S | S | . | * | S | Bend | trans | 82.3 | 0.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V214 A215 | V214-G218 VanDerWaalsContact CG1-CA 3.47Å; A215-G218 PolarHBondContact O-N 2.75Å |
| 219 | Q | 39.3 | Very low | 40.6 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 58% | 0.575 | 64% | 0.636 | S | S | * | * | trans | -86.8 | 131 | -178.4 | -67.1 | -70.7 | -24.2 | 0 | 0 | 111.6 | A215 N217 | A215-Q219 WeakPolarHBondContact CB-O 3.22Å; A215-Q219 PolarHBondContact N-O 3.01Å; N217-Q219 VanDerWaalsContact C-N 3.32Å; N217-Q219 PolarHBondContact O-N 3.07Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.48Å; N217-Q219 PolarHBondContact OD1-N 3.42Å | ||
| 220 | P | 43.7 | Very low | 40.8 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.2 | 137 | 174 | 28.7 | -32.3 | 0 | 0 | 0 | 111.3 | C212 F213 | C212-P220 HydrophobicContact CB-CB 4.28Å; F213-P220 CarbonylContact O-C 3.49Å; F213-P220 WeakPolarHBondContact O-CA 2.84Å |
| 221 | Y | 43 | Very low | 41.3 | Very low | 126 Ų | 126 | 121.9 Ų | 121.9 | 49% | 0.494 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 151.4 | 167.7 | 67.6 | -91.3 | 0 | 0 | 0 | 111.9 | F213 A215 V223 | F213-Y221 HydrophobicContact CB-CD1 3.7Å; F213-Y221 HydrophobicContact CB-CD2 3.81Å; F213-Y221 HydrophobicContact CB-CE1 3.38Å; F213-Y221 HydrophobicContact CB-CE2 3.48Å; F213-Y221 VanDerWaalsContact CB-CE2 3.48Å; F213-Y221 HydrophobicContact CB-CG 3.91Å; F213-Y221 HydrophobicContact CD2-CE2 4.31Å; F213-Y221 WeakPolarHBondContact CD2-O 3.02Å; F213-Y221 HydrophobicContact CG-CD2 4.39Å; F213-Y221 HydrophobicContact CG-CE1 4.5Å; F213-Y221 AromaticContact CG-CE2 3.87Å; F213-Y221 HydrophobicContact CG-CE2 3.87Å; F213-Y221 AromaticContact CG-CZ 3.94Å; F213-Y221 PolarHBondContact N-O 3.32Å; F213-Y221 WeakPolarHBondContact O-CD1 2.96Å; F213-Y221 PolarHBondContact O-N 3.4Å; A215-Y221 HydrophobicContact CB-CD1 4.06Å; A215-Y221 HydrophobicContact CB-CE1 4.3Å; Y221-V223 HydrophobicContact CD2-CG2 4.14Å; Y221-V223 HydrophobicContact CE2-CG2 3.8Å |
| 222 | Q | 39 | Very low | 41.2 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | trans | -102.3 | 130 | 179.6 | -173.1 | 176.7 | 14.3 | 0 | 0 | 109.8 | ||||
| 223 | V | 48.2 | Very low | 41.4 | Very low | 59 Ų | 59 | 130.7 Ų | 130.7 | 36% | 0.358 | 68% | 0.678 | S | S | . | * | trans | -93.3 | 121.8 | 174.1 | 179.3 | 0 | 0 | 0 | 0 | 109 | F213 Y221 Y225 | F213-V223 HydrophobicContact CD2-CG2 3.72Å; F213-V223 HydrophobicContact CE2-CB 4.1Å; F213-V223 HydrophobicContact CE2-CG2 3.59Å; F213-V223 HydrophobicContact CG-CG2 4.33Å; F213-V223 HydrophobicContact CZ-CG2 4.09Å; Y221-V223 HydrophobicContact CD2-CG2 4.14Å; Y221-V223 HydrophobicContact CE2-CG2 3.8Å; V223-Y225 HydrophobicContact CG1-CD2 4Å; V223-Y225 HydrophobicContact CG1-CE2 3.6Å | ||
| 224 | V | 41.2 | Very low | 41.2 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 70% | 0.697 | 71% | 0.707 | S | S | * | * | trans | -106.8 | 122.5 | 173 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 225 | Y | 39.7 | Very low | 40.9 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 129.4 | 173.2 | -79.3 | -82.3 | 0 | 0 | 0 | 110.4 | V223 | V223-Y225 HydrophobicContact CG1-CD2 4Å; V223-Y225 HydrophobicContact CG1-CE2 3.6Å |
| 226 | V | 41.5 | Very low | 40.3 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 122.7 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | ||
| 227 | D | 38.3 | Very low | 39.6 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 127.1 | -173.4 | -141.3 | -26.5 | 0 | 0 | 0 | 111.9 | ||
| 228 | G | 35.8 | Very low | 38.9 | Very low | 64 Ų | 64 | 144.2 Ų | 144.2 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 126.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 229 | K | 38 | Very low | 38.3 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 146.5 | -172.4 | -64.8 | -178.5 | -179.7 | 178.1 | 0 | 114.7 | ||
| 230 | P | 36.5 | Very low | 38 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 135.4 | -175.5 | 32 | -33.6 | 0 | 0 | 0 | 112.7 | ||
| 231 | K | 43.4 | Very low | 37.5 | Very low | 217 Ų | 217 | 153.4 Ų | 153.4 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 136.4 | 171.7 | -88.9 | -172.5 | 177.4 | 176.6 | 0 | 112.7 | ||
| 232 | K | 38.7 | Very low | 37 | Very low | 204 Ų | 204 | 151.8 Ų | 151.8 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 139.4 | -173.7 | -71.3 | 177.3 | 172.4 | 178.1 | 0 | 113.6 | ||
| 233 | K | 36.3 | Very low | 36.7 | Very low | 208 Ų | 208 | 150.9 Ų | 150.9 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.2 | 167.3 | -68.7 | 178.1 | 175.7 | 176.3 | 0 | 111.7 | ||
| 234 | K | 40.4 | Very low | 35.8 | Very low | 209 Ų | 209 | 151 Ų | 151 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -128.4 | 132.9 | 164.4 | -91 | -168 | 175.2 | -175.8 | 0 | 112.8 | ||||
| 235 | C | 32.6 | Very low | 35.4 | Very low | 132 Ų | 132 | 154.2 Ų | 154.2 | 89% | 0.892 | 84% | 0.84 | S | S | * | * | trans | -60.8 | 150 | 178.9 | -79.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 236 | K | 32.3 | Very low | 35.1 | Very low | 218 Ų | 218 | 150.4 Ų | 150.4 | 95% | 0.948 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -50.8 | 133.2 | 160.1 | -80.6 | 173.8 | 171.2 | 175.9 | 0 | 111.1 | ||
| 237 | G | 32.1 | Very low | 34.7 | Very low | 66 Ų | 66 | 149.9 Ų | 149.9 | 68% | 0.68 | 85% | 0.847 | S | S | * | * | trans | 129.5 | 91.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 238 | L | 36 | Very low | 34.3 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 94% | 0.937 | 84% | 0.836 | S | S | * | * | trans | -172.3 | 115.5 | 138.4 | -99.1 | 145.5 | 0 | 0 | 0 | 108.3 | ||||
| 239 | K | 29.2 | Very low | 34.3 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 82% | 0.822 | 85% | 0.848 | S | S | * | * | trans | -86.3 | 146 | 176.6 | -56.9 | 172.9 | -178.8 | -179.3 | 0 | 107.5 | ||||
| 240 | N | 32.1 | Very low | 34.2 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 87% | 0.866 | 85% | 0.845 | S | S | * | * | trans | 64.5 | 98.3 | 160.9 | -55 | -13.7 | 0 | 0 | 0 | 117.5 | ||||
| 241 | A | 32.6 | Very low | 33.8 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | trans | -160.5 | 103.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 242 | A | 33.1 | Very low | 33.1 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | -68.6 | 175.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 243 | V | 31.9 | Very low | 32.6 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | 86 | 118.8 | -174.1 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 244 | G | 29.4 | Very low | 32.7 | Very low | 63 Ų | 63 | 134.3 Ų | 134.3 | 65% | 0.649 | 83% | 0.833 | S | S | * | * | cis | 147.6 | 169.6 | 18.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 245 | L | 34.6 | Very low | 32.2 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | trans | 103.4 | 103.1 | 167.2 | -59.1 | 174.1 | 0 | 0 | 0 | 118.2 | ||||
| 246 | A | 33.3 | Very low | 32.2 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -63.6 | 174.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 247 | S | 32.7 | Very low | 32.2 | Very low | 126 Ų | 126 | 128 Ų | 128 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | trans | 118 | 125 | 156 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 248 | G | 29.8 | Very low | 32.6 | Very low | 62 Ų | 62 | 133.4 Ų | 133.4 | 64% | 0.639 | 83% | 0.825 | S | S | * | * | cis | -179.8 | 177.2 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 249 | V | 36 | Very low | 32.5 | Very low | 151 Ų | 151 | 135 Ų | 135 | 92% | 0.915 | 83% | 0.825 | S | S | * | * | trans | 57.7 | 137.9 | 151.5 | -86.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 250 | A | 34.6 | Very low | 32.5 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | cis | 178.1 | 154.1 | -12.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 251 | G | 28.4 | Very low | 32.3 | Very low | 83 Ų | 83 | 125 Ų | 125 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 125.7 | 114.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 252 | G | 30 | Very low | 32.2 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | 106.9 | 81.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 253 | Y | 28.3 | Very low | 31.9 | Very low | 231 Ų | 231 | 129.5 Ų | 129.5 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | 50.5 | 102.3 | 87.7 | -79.9 | -87.7 | 0 | 0 | 0 | 116.4 | |||||
| 254 | L | 37.9 | Very low | 31.7 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | 167.9 | 86.3 | 140.3 | -92 | 160.5 | 0 | 0 | 0 | 107.3 | ||||
| 255 | A | 30 | Very low | 31.7 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 66% | 0.661 | 83% | 0.826 | S | S | * | * | 65.2 | 100.9 | 79.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 256 | S | 31.2 | Very low | 31.4 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | 64.2 | 136.4 | 128.1 | -52.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 257 | R | 32.8 | Very low | 31.4 | Very low | 235 Ų | 235 | 133.1 Ų | 133.1 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | 86.9 | 108.2 | 164.9 | -55.4 | -179.5 | 175.2 | 174.3 | -1 | 114.7 | ||||
| 258 | L | 41.3 | Very low | 31.4 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | -163.3 | 77.2 | 122.5 | -93.4 | 165.8 | 0 | 0 | 0 | 107.6 | |||||
| 259 | F | 33.9 | Very low | 32 | Very low | 212 Ų | 212 | 132.7 Ų | 132.7 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -50.2 | 145.9 | 152.7 | -107.9 | -105.6 | 0 | 0 | 0 | 109.9 | ||||
| 260 | G | 28.9 | Very low | 31.9 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | 106.1 | 110.3 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 261 | G | 27.5 | Very low | 32.1 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | 91.3 | 142.6 | 114.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 262 | F | 31 | Very low | 32.3 | Very low | 218 Ų | 218 | 139.7 Ų | 139.7 | 96% | 0.956 | 81% | 0.809 | S | S | * | * | trans | 69.3 | 125.6 | 162.6 | -74 | -101.4 | 0 | 0 | 0 | 115.4 | ||||
| 263 | G | 27 | Very low | 32.4 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | cis | 117 | 112.8 | 34.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 264 | G | 27.1 | Very low | 32.8 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | 81.4 | 141.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 265 | G | 28.6 | Very low | 32.6 | Very low | 78 Ų | 78 | 136.1 Ų | 136.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 133 | 92.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | M267 | G265-M267 PolarHBondContact O-N 3.27Š| ||
| 266 | F | 30 | Very low | 32.7 | Very low | 208 Ų | 208 | 136.8 Ų | 136.8 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | trans | -44.7 | 124.8 | 161.2 | -85.8 | -114 | 0 | 0 | 0 | 112.7 | ||||
| 267 | M | 32.3 | Very low | 32.9 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | trans | -158 | 127.6 | 148.9 | -82.5 | -57.1 | 171.6 | 0 | 0 | 108.7 | G265 | G265-M267 PolarHBondContact O-N 3.27Š| ||
| 268 | G | 32.1 | Very low | 32.9 | Very low | 63 Ų | 63 | 132.9 Ų | 132.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | trans | -63.8 | 173.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R270 | G268-R270 PolarHBondContact O-N 2.9Š| ||
| 269 | P | 42.5 | Very low | 32.4 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -71.7 | 98.2 | -173.7 | 29.2 | -31.5 | 0 | 0 | 0 | 110.1 | W271 | P269-W271 PolarHBondContact O-N 3.43Š| ||
| 270 | R | 35.5 | Very low | 32.3 | Very low | 243 Ų | 243 | 123.5 Ų | 123.5 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | trans | -70.4 | 103 | 160 | -176.2 | 175 | 174.5 | 179 | -2.2 | 106.9 | G268 G272 | G268-R270 PolarHBondContact O-N 2.9Å; R270-G272 PolarHBondContact O-N 2.96Å | ||
| 271 | W | 37.7 | Very low | 32.2 | Very low | 174 Ų | 174 | 125.1 Ų | 125.1 | 66% | 0.659 | 75% | 0.75 | S | S | * | * | trans | -64.3 | 106.2 | 177.2 | -79.5 | 59.1 | 0 | 0 | 0 | 108.9 | P269 | P269-W271 PolarHBondContact O-N 3.43Š| ||
| 272 | G | 33.4 | Very low | 32.6 | Very low | 63 Ų | 63 | 131.3 Ų | 131.3 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | trans | -66.2 | 134.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R270 W274 | R270-G272 PolarHBondContact O-N 2.96Å; G272-W274 PolarHBondContact O-N 3.41Å | ||
| 273 | S | 31 | Very low | 32.4 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | -39.4 | 128.3 | 174.2 | -167.7 | 0 | 0 | 0 | 0 | 113.6 | S275 | S273-S275 PolarHBondContact O-N 2.72Å; S273-S275 PolarHBondContact OG-OG 3.26Å | ||
| 274 | W | 36.4 | Very low | 32.6 | Very low | 228 Ų | 228 | 134.3 Ų | 134.3 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -67.6 | 78.6 | 166.5 | -70.2 | -30.5 | 0 | 0 | 0 | 110 | G272 | G272-W274 PolarHBondContact O-N 3.41Š|
| 275 | S | 33.7 | Very low | 32.8 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 53% | 0.531 | 76% | 0.764 | S | S | . | * | trans | -139.3 | 2.6 | 177.6 | -44.2 | 0 | 0 | 0 | 0 | 113.9 | S273 | S273-S275 PolarHBondContact O-N 2.72Å; S273-S275 PolarHBondContact OG-OG 3.26Å | ||
| 276 | S | 31.9 | Very low | 33 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -111 | 7.3 | -171.2 | -44.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 277 | L | 37 | Very low | 33.2 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -96.9 | 0.4 | 177.1 | -67.4 | 174.9 | 0 | 0 | 0 | 113.8 | S279 L280 | L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 3.2Å; L277-L280 HydrophobicContact CD2-CD1 3.81Å |
| 278 | S | 31.6 | Very low | 33.3 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -5.4 | 177.5 | -30.8 | 0 | 0 | 0 | 0 | 114 | ||
| 279 | S | 31.3 | Very low | 33.3 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 6.6 | -176.7 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | L277 S281 | L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 3.2Å; S279-S281 PolarHBondContact O-N 2.94Å |
| 280 | L | 32.1 | Very low | 32.7 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 52% | 0.524 | 75% | 0.749 | S | S | . | * | trans | -82 | 77.6 | 177.1 | -74.8 | -177.4 | 0 | 0 | 0 | 110 | L277 W282 | L277-L280 HydrophobicContact CD2-CD1 3.81Å; L280-W282 PolarHBondContact O-N 3.28Å | ||
| 281 | S | 26.7 | Very low | 32.5 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -65.2 | 105.3 | 156.3 | 161.6 | 0 | 0 | 0 | 0 | 108.2 | S279 | S279-S281 PolarHBondContact O-N 2.94Š| ||
| 282 | W | 35.6 | Very low | 32.1 | Very low | 198 Ų | 198 | 128 Ų | 128 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | trans | -104.5 | 115.9 | 168.1 | -68.2 | 56.5 | 0 | 0 | 0 | 106.5 | L280 D284 | L280-W282 PolarHBondContact O-N 3.28Å; W282-D284 PolarHBondContact O-N 3.05Å | ||
| 283 | S | 27.3 | Very low | 32 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | -59.1 | 122.7 | 166.5 | -55.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 284 | D | 30.1 | Very low | 32.1 | Very low | 237 Ų | 237 | 137.6 Ų | 137.6 | 100% | 1.267 | 76% | 0.764 | S | S | * | * | trans | -63.6 | 0 | 158.2 | -155.1 | 13.6 | 0 | 0 | 0 | 109.5 | W282 | W282-D284 PolarHBondContact O-N 3.05Š|
Retrieved 284 of 284 residues in 451.8 ms
(Link to these results)