| 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 | 72.6 | Confident | 87.2 | Confident | 224 Ų | 224 | 89.6 Ų | 89.6 | 100% | 1.103 | 47% | 0.465 | S | S | * | . | 0 | 121 | 0 | -66.7 | 80.2 | 166 | 0 | 0 | 109.1 | |||||
| 2 | S | 78.9 | Confident | 87.5 | Confident | 76 Ų | 76 | 82.2 Ų | 82.2 | 53% | 0.531 | 43% | 0.426 | S | S | . | . | trans | -107.6 | 148.3 | 170.6 | 49.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | W | 89.1 | Confident | 87.6 | Confident | 99 Ų | 99 | 85.9 Ų | 85.9 | 38% | 0.375 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 150.8 | 173.6 | -65.7 | -80.3 | 0 | 0 | 0 | 110 | P11 V12 K17 N24 | W3-P11 CarbonylContact O-C 3.5Å; W3-P11 WeakPolarHBondContact O-CA 3.27Å; W3-V12 PolarHBondContact N-O 3.39Å; W3-V12 PolarHBondContact O-N 3.31Å; W3-K17 HydrophobicContact CE3-CD 4.25Å; W3-K17 HydrophobicContact CH2-CD 4.45Å; W3-K17 HydrophobicContact CZ3-CD 3.84Å; W3-N24 HydrophobicContact CB-CB 3.61Å; W3-N24 HydrophobicContact CG-CB 4.02Å; W3-N24 PolarHBondContact NE1-ND2 3.48Å |
| 4 | T | 91.6 | Very high | 87.6 | Confident | 93 Ų | 93 | 90.9 Ų | 90.9 | 57% | 0.571 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.8 | 179.8 | -50.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 5 | C | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 89.9 Ų | 89.9 | 0% | 0 | 47% | 0.467 | C | S | . | . | trans | -74.7 | 123.3 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | R7 C8 Q9 Q10 V12 N24 H26 C29 | C5-R7 PolarHBondContact O-N 3.23Å; C5-C8 VanDerWaalsContact CB-SG 3.58Å; C5-Q9 WeakPolarHBondContact O-CA 3.31Å; C5-Q9 PolarHBondContact O-N 3.41Å; C5-Q10 WeakPolarHBondContact CB-O 3.41Å; C5-Q10 PolarHBondContact N-O 3.33Å; C5-V12 HydrophobicContact CB-CG2 3.57Å; C5-N24 WeakPolarHBondContact CA-O 3.47Å; C5-H26 WeakPolarHBondContact CB-CE1 3.27Å; C5-H26 WeakPolarHBondContact CB-ND1 3.49Å; C5-H26 PolarHBondContact SG-ND1 3.05Å; C5-H26 VanDerWaalsContact SG-ND1 3.36Å; C5-C29 VanDerWaalsContact SG-CB 3.6Å | ||
| 6 | P | 88.1 | Confident | 87.3 | Confident | 43 Ų | 43 | 89.9 Ų | 89.9 | 28% | 0.279 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17 | -179.1 | 26.1 | -33.6 | 0 | 0 | 0 | 113.7 | K23 N24 W25 | P6-K23 HydrophobicContact CG-CB 4.44Å; P6-K23 HydrophobicContact CG-CD 4.16Å; P6-N24 VanDerWaalsContact CD-O 3.25Å; P6-N24 WeakPolarHBondContact CD-O 3.19Å; P6-W25 HydrophobicContact CB-CH2 4.34Å; P6-W25 HydrophobicContact CB-CZ3 4.47Å; P6-W25 HydrophobicContact CG-CD2 3.86Å; P6-W25 HydrophobicContact CG-CE3 3.74Å; P6-W25 HydrophobicContact CG-CH2 3.48Å; P6-W25 VanDerWaalsContact CG-CH2 3.48Å; P6-W25 HydrophobicContact CG-CZ2 3.59Å; P6-W25 HydrophobicContact CG-CZ3 3.55Å |
| 7 | R | 87.7 | Confident | 87.3 | Confident | 66 Ų | 66 | 88.5 Ų | 88.5 | 25% | 0.249 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -50.1 | 178 | 169.4 | 168.2 | -87.3 | -177.3 | -8.4 | 113.7 | C5 W25 C29 K31 | C5-R7 PolarHBondContact O-N 3.23Å; R7-W25 HydrophobicContact CB-CE3 4.3Å; R7-W25 HydrophobicContact CB-CZ3 4.06Å; R7-C29 HydrophobicContact CB-CB 4.25Å; R7-C29 VanDerWaalsContact CD-O 3.28Å; R7-C29 WeakPolarHBondContact CD-O 3.5Å; R7-C29 HydrophobicContact CG-CB 4.45Å; R7-C29 PolarHBondContact NE-O 3.17Å; R7-C29 PolarHBondContact NH1-O 3.32Å; R7-K31 PolarHBondContact NH1-O 3.49Å; R7-K31 PolarHBondContact NH2-O 3.3Å |
| 8 | C | 89.4 | Confident | 87.5 | Confident | 45 Ų | 45 | 84.7 Ų | 84.7 | 30% | 0.304 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -2.7 | -175 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | C5 Q10 H26 C29 | C5-C8 VanDerWaalsContact CB-SG 3.58Å; C8-Q10 PolarHBondContact O-N 2.93Å; C8-H26 PolarHBondContact SG-CE1 3.37Å; C8-H26 PolarHBondContact SG-ND1 3.43Å; C8-H26 VanDerWaalsContact SG-ND1 3.36Å; C8-C29 VanDerWaalsContact SG-SG 3.63Å |
| 9 | Q | 88.9 | Confident | 87.6 | Confident | 160 Ų | 160 | 83.9 Ų | 83.9 | 75% | 0.748 | 44% | 0.437 | S | S | * | . | trans | 58.3 | 11.2 | -178.5 | -57.4 | -180 | -0.6 | 0 | 0 | 114.7 | C5 | C5-Q9 WeakPolarHBondContact O-CA 3.31Å; C5-Q9 PolarHBondContact O-N 3.41Å | ||
| 10 | Q | 89.8 | Confident | 87.5 | Confident | 120 Ų | 120 | 80 Ų | 80 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -87.3 | 153.4 | 176 | -70.8 | 177 | -37.3 | 0 | 0 | 111.5 | C5 C8 | C5-Q10 WeakPolarHBondContact CB-O 3.41Å; C5-Q10 PolarHBondContact N-O 3.33Å; C8-Q10 PolarHBondContact O-N 2.93Å |
| 11 | P | 91.9 | Very high | 87.3 | Confident | 60 Ų | 60 | 81 Ų | 81 | 39% | 0.39 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 137.8 | 174.2 | 27.1 | -33.8 | 0 | 0 | 0 | 111 | W3 F13 H26 | W3-P11 CarbonylContact O-C 3.5Å; W3-P11 WeakPolarHBondContact O-CA 3.27Å; P11-F13 HydrophobicContact CB-CE2 4.39Å; P11-F13 HydrophobicContact CB-CZ 4.37Å; P11-F13 HydrophobicContact CG-CE2 4.16Å; P11-F13 HydrophobicContact CG-CZ 4.23Å; P11-H26 PolarHBondContact O-NE2 3.21Å; P11-H26 VanDerWaalsContact O-NE2 3.15Å |
| 12 | V | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 116.4 | 175.4 | -174 | 0 | 0 | 0 | 0 | 107 | W3 C5 K17 | W3-V12 PolarHBondContact N-O 3.39Å; W3-V12 PolarHBondContact O-N 3.31Å; C5-V12 HydrophobicContact CB-CG2 3.57Å; V12-K17 VanDerWaalsContact CG1-CA 3.43Å; V12-K17 HydrophobicContact CG1-CB 3.61Å |
| 13 | F | 88.7 | Confident | 88.4 | Confident | 131 Ų | 131 | 74.7 Ų | 74.7 | 58% | 0.575 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -87.3 | 162.7 | 175.7 | -62.2 | -81.7 | 0 | 0 | 0 | 110.9 | P11 A15 E16 K17 | P11-F13 HydrophobicContact CB-CE2 4.39Å; P11-F13 HydrophobicContact CB-CZ 4.37Å; P11-F13 HydrophobicContact CG-CE2 4.16Å; P11-F13 HydrophobicContact CG-CZ 4.23Å; F13-A15 PolarHBondContact O-N 2.65Å; F13-A15 VanDerWaalsContact O-N 3.14Å; F13-E16 PolarHBondContact O-N 3.32Å; F13-K17 PolarHBondContact O-N 3.22Å; F13-K17 VanDerWaalsContact O-N 3.13Å |
| 14 | F | 86.6 | Confident | 88.5 | Confident | 156 Ų | 156 | 71 Ų | 71 | 68% | 0.684 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -33.8 | -173.1 | -170.6 | -91.3 | 0 | 0 | 0 | 114.1 | E16 K17 | F14-E16 PolarHBondContact O-N 3.46Å; F14-K17 HydrophobicContact CD2-CD 4.17Å; F14-K17 WeakPolarHBondContact O-CG 3.26Å |
| 15 | A | 85.6 | Confident | 88.5 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 63% | 0.628 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -34.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F13 R27 | F13-A15 PolarHBondContact O-N 2.65Å; F13-A15 VanDerWaalsContact O-N 3.14Å; A15-R27 PolarHBondContact O-NH2 3.42Å |
| 16 | E | 85.6 | Confident | 88.5 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -1.2 | -173.4 | -61.8 | -170.8 | 140.7 | 0 | 0 | 113.3 | F13 F14 V18 H26 R27 | F13-E16 PolarHBondContact O-N 3.32Å; F14-E16 PolarHBondContact O-N 3.46Å; E16-V18 PolarHBondContact O-N 2.86Å; E16-H26 IonicContact OE2-CD2 3.99Å; E16-R27 PolarHBondContact O-N 3.31Å |
| 17 | K | 87.6 | Confident | 88.5 | Confident | 65 Ų | 65 | 72.5 Ų | 72.5 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 133 | -175.8 | 81.4 | 177.6 | -179.6 | 163.3 | 0 | 111.4 | W3 V12 F13 F14 | W3-K17 HydrophobicContact CE3-CD 4.25Å; W3-K17 HydrophobicContact CH2-CD 4.45Å; W3-K17 HydrophobicContact CZ3-CD 3.84Å; V12-K17 VanDerWaalsContact CG1-CA 3.43Å; V12-K17 HydrophobicContact CG1-CB 3.61Å; F13-K17 PolarHBondContact O-N 3.22Å; F13-K17 VanDerWaalsContact O-N 3.13Å; F14-K17 HydrophobicContact CD2-CD 4.17Å; F14-K17 WeakPolarHBondContact O-CG 3.26Å |
| 18 | V | 90.4 | Very high | 88.6 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 13% | 0.127 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 109.5 | 168 | -179 | 0 | 0 | 0 | 0 | 107.2 | E16 W25 R27 L30 P41 | E16-V18 PolarHBondContact O-N 2.86Å; V18-W25 PolarHBondContact N-O 3.49Å; V18-W25 PolarHBondContact O-N 2.88Å; V18-R27 HydrophobicContact CG2-CB 4.26Å; V18-R27 HydrophobicContact CG2-CG 3.52Å; V18-L30 HydrophobicContact CG1-CD2 3.77Å; V18-P41 HydrophobicContact CG1-CB 3.77Å; V18-P41 HydrophobicContact CG1-CG 3.54Å |
| 19 | S | 88.9 | Confident | 88.6 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 48% | 0.483 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 124.8 | 179.6 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | K23 N24 | S19-K23 CarbonylContact C-O 3.56Å; S19-K23 WeakPolarHBondContact CA-O 3.36Å; S19-N24 PolarHBondContact OG-OD1 2.91Å |
| 20 | S | 86.4 | Confident | 88.7 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 137.4 | 176.3 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | G22 K23 G42 H44 | S20-G22 PolarHBondContact O-N 3.5Å; S20-K23 PolarHBondContact N-O 2.7Å; S20-K23 PolarHBondContact O-N 3.37Å; S20-K23 VanDerWaalsContact O-O 3.1Å; S20-G42 WeakPolarHBondContact OG-CA 3.27Å; S20-G42 PolarHBondContact OG-N 3.3Å; S20-H44 WeakPolarHBondContact CB-CE1 3.2Å; S20-H44 PolarHBondContact OG-CE1 2.83Å |
| 21 | L | 83.8 | Confident | 88.8 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 53% | 0.534 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36 | -178.4 | -61.2 | 174.7 | 0 | 0 | 0 | 113 | K23 H44 E46 | L21-K23 PolarHBondContact O-N 2.85Å; L21-H44 WeakPolarHBondContact CD1-O 3.23Å; L21-E46 HydrophobicContact CD1-CB 4Å |
| 22 | G | 85.9 | Confident | 88.8 | Confident | 83 Ų | 83 | 64 Ų | 64 | 86% | 0.856 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S20 | S20-G22 PolarHBondContact O-N 3.5Š|
| 23 | K | 88.1 | Confident | 88.8 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 37% | 0.365 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 157.8 | 176.4 | -56.4 | -168.1 | -169.2 | -169.3 | 0 | 111.5 | P6 S19 S20 L21 W25 E46 | P6-K23 HydrophobicContact CG-CB 4.44Å; P6-K23 HydrophobicContact CG-CD 4.16Å; S19-K23 CarbonylContact C-O 3.56Å; S19-K23 WeakPolarHBondContact CA-O 3.36Å; S20-K23 PolarHBondContact N-O 2.7Å; S20-K23 PolarHBondContact O-N 3.37Å; S20-K23 VanDerWaalsContact O-O 3.1Å; L21-K23 PolarHBondContact O-N 2.85Å; K23-W25 HydrophobicContact CB-CZ2 4.46Å; K23-W25 HydrophobicContact CD-CZ2 4.49Å; K23-E46 VanDerWaalsContact CD-OE2 3.26Å; K23-E46 WeakPolarHBondContact CD-OE2 3.44Å; K23-E46 VanDerWaalsContact CE-OE1 3.31Å; K23-E46 WeakPolarHBondContact CE-OE1 3.36Å; K23-E46 VanDerWaalsContact CE-OE2 3.27Å; K23-E46 WeakPolarHBondContact CE-OE2 3.43Å; K23-E46 IonicContact NZ-OE1 2.91Å; K23-E46 PolarHBondContact NZ-OE1 3.13Å; K23-E46 IonicContact NZ-OE2 2.65Å |
| 24 | N | 91.3 | Very high | 88.7 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 11% | 0.112 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.8 | 178.5 | -62.5 | -72.3 | 0 | 0 | 0 | 109.7 | W3 C5 P6 S19 | W3-N24 HydrophobicContact CB-CB 3.61Å; W3-N24 HydrophobicContact CG-CB 4.02Å; W3-N24 PolarHBondContact NE1-ND2 3.48Å; C5-N24 WeakPolarHBondContact CA-O 3.47Å; P6-N24 VanDerWaalsContact CD-O 3.25Å; P6-N24 WeakPolarHBondContact CD-O 3.19Å; S19-N24 PolarHBondContact OG-OD1 2.91Å |
| 25 | W | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 155.7 | -175.6 | -53.1 | 79.9 | 0 | 0 | 0 | 108.8 | P6 R7 V18 K23 L30 E46 G49 P51 | P6-W25 HydrophobicContact CB-CH2 4.34Å; P6-W25 HydrophobicContact CB-CZ3 4.47Å; P6-W25 HydrophobicContact CG-CD2 3.86Å; P6-W25 HydrophobicContact CG-CE3 3.74Å; P6-W25 HydrophobicContact CG-CH2 3.48Å; P6-W25 VanDerWaalsContact CG-CH2 3.48Å; P6-W25 HydrophobicContact CG-CZ2 3.59Å; P6-W25 HydrophobicContact CG-CZ3 3.55Å; R7-W25 HydrophobicContact CB-CE3 4.3Å; R7-W25 HydrophobicContact CB-CZ3 4.06Å; V18-W25 PolarHBondContact N-O 3.49Å; V18-W25 PolarHBondContact O-N 2.88Å; K23-W25 HydrophobicContact CB-CZ2 4.46Å; K23-W25 HydrophobicContact CD-CZ2 4.49Å; W25-L30 HydrophobicContact CB-CB 4.21Å; W25-L30 HydrophobicContact CB-CD1 4.04Å; W25-L30 HydrophobicContact CD2-CD1 3.7Å; W25-L30 HydrophobicContact CE3-CD1 4.22Å; W25-L30 HydrophobicContact CG-CD1 3.61Å; W25-E46 HydrophobicContact CH2-CG 4.34Å; W25-E46 HydrophobicContact CZ2-CG 4.26Å; W25-G49 VanDerWaalsContact CH2-O 3.31Å; W25-G49 WeakPolarHBondContact CH2-O 3.17Å; W25-P51 HydrophobicContact CE3-CG 4.36Å; W25-P51 HydrophobicContact CH2-CB 4.22Å; W25-P51 HydrophobicContact CH2-CG 4.13Å; W25-P51 HydrophobicContact CZ3-CB 4.36Å; W25-P51 HydrophobicContact CZ3-CG 3.81Å |
| 26 | H | 91.7 | Very high | 89.1 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 8% | 0.083 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 152.2 | 160.6 | -50.2 | 93.5 | 0 | 0 | 0 | 110 | C5 C8 P11 E16 F28 C29 L30 | C5-H26 WeakPolarHBondContact CB-CE1 3.27Å; C5-H26 WeakPolarHBondContact CB-ND1 3.49Å; C5-H26 PolarHBondContact SG-ND1 3.05Å; C5-H26 VanDerWaalsContact SG-ND1 3.36Å; C8-H26 PolarHBondContact SG-CE1 3.37Å; C8-H26 PolarHBondContact SG-ND1 3.43Å; C8-H26 VanDerWaalsContact SG-ND1 3.36Å; P11-H26 PolarHBondContact O-NE2 3.21Å; P11-H26 VanDerWaalsContact O-NE2 3.15Å; E16-H26 IonicContact OE2-CD2 3.99Å; H26-F28 PolarHBondContact O-N 3.25Å; H26-C29 HydrophobicContact CB-CB 3.85Å; H26-C29 PolarHBondContact ND1-SG 2.82Å; H26-C29 VanDerWaalsContact ND1-SG 3.43Å; H26-C29 PolarHBondContact O-N 3.17Å; H26-L30 PolarHBondContact O-N 2.94Å |
| 27 | R | 87.9 | Confident | 89.2 | Confident | 150 Ų | 150 | 62.9 Ų | 62.9 | 57% | 0.566 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -43.6 | 173.6 | -66 | 169.7 | -179.2 | -130.1 | 4.4 | 112.8 | A15 E16 V18 | A15-R27 PolarHBondContact O-NH2 3.42Å; E16-R27 PolarHBondContact O-N 3.31Å; V18-R27 HydrophobicContact CG2-CB 4.26Å; V18-R27 HydrophobicContact CG2-CG 3.52Å |
| 28 | F | 88.3 | Confident | 89.3 | Confident | 162 Ų | 162 | 64.9 Ų | 64.9 | 71% | 0.711 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -20.3 | 179.5 | -59.6 | -70.3 | 0 | 0 | 0 | 114.1 | H26 | H26-F28 PolarHBondContact O-N 3.25Š|
| 29 | C | 90.3 | Very high | 89.2 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 14% | 0.135 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -25 | 175.6 | -73 | 0 | 0 | 0 | 0 | 111.4 | C5 R7 C8 H26 K31 | C5-C29 VanDerWaalsContact SG-CB 3.6Å; R7-C29 HydrophobicContact CB-CB 4.25Å; R7-C29 VanDerWaalsContact CD-O 3.28Å; R7-C29 WeakPolarHBondContact CD-O 3.5Å; R7-C29 HydrophobicContact CG-CB 4.45Å; R7-C29 PolarHBondContact NE-O 3.17Å; R7-C29 PolarHBondContact NH1-O 3.32Å; C8-C29 VanDerWaalsContact SG-SG 3.63Å; H26-C29 HydrophobicContact CB-CB 3.85Å; H26-C29 PolarHBondContact ND1-SG 2.82Å; H26-C29 VanDerWaalsContact ND1-SG 3.43Å; H26-C29 PolarHBondContact O-N 3.17Å; C29-K31 PolarHBondContact O-N 3Å |
| 30 | L | 91.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | trans | -80.4 | 62.6 | 175.4 | -159.6 | 74.1 | 0 | 0 | 0 | 112.4 | V18 W25 H26 L39 H44 P51 | V18-L30 HydrophobicContact CG1-CD2 3.77Å; W25-L30 HydrophobicContact CB-CB 4.21Å; W25-L30 HydrophobicContact CB-CD1 4.04Å; W25-L30 HydrophobicContact CD2-CD1 3.7Å; W25-L30 HydrophobicContact CE3-CD1 4.22Å; W25-L30 HydrophobicContact CG-CD1 3.61Å; H26-L30 PolarHBondContact O-N 2.94Å; L30-L39 HydrophobicContact CD2-CB 4.5Å; L30-L39 WeakPolarHBondContact CD2-O 3.23Å; L30-L39 HydrophobicContact CG-CB 4.2Å; L30-L39 PolarHBondContact O-N 2.8Å; L30-H44 WeakPolarHBondContact CD1-CE1 3.42Å; L30-P51 HydrophobicContact CD1-CB 4.26Å | ||
| 31 | K | 91.8 | Very high | 89.1 | Confident | 87 Ų | 87 | 69.1 Ų | 69.1 | 38% | 0.378 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -127.1 | 140.7 | 175 | 62.8 | -178.9 | 176.5 | -171.2 | 0 | 111 | R7 C29 E33 S37 | R7-K31 PolarHBondContact NH1-O 3.49Å; R7-K31 PolarHBondContact NH2-O 3.3Å; C29-K31 PolarHBondContact O-N 3Å; K31-E33 PolarHBondContact O-N 2.89Å; K31-S37 CarbonylContact C-O 3.5Å; K31-S37 VanDerWaalsContact CA-O 3.28Å; K31-S37 WeakPolarHBondContact CA-O 3.41Å |
| 32 | C | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -57.6 | 134.9 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | R34 C35 H36 S37 L39 P51 | C32-R34 VanDerWaalsContact C-N 3.35Å; C32-R34 PolarHBondContact SG-N 3.34Å; C32-R34 VanDerWaalsContact SG-N 3.43Å; C32-C35 WeakPolarHBondContact CB-SG 3.48Å; C32-H36 WeakPolarHBondContact O-CA 3.24Å; C32-H36 PolarHBondContact O-N 3.38Å; C32-S37 PolarHBondContact N-O 3.16Å; C32-L39 HydrophobicContact CB-CD1 4Å; C32-L39 HydrophobicContact CB-CD2 4.18Å; C32-L39 HydrophobicContact CB-CG 4.18Å; C32-P51 WeakPolarHBondContact CA-O 3.38Å | ||
| 33 | E | 89.8 | Confident | 89 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -32.7 | 177.8 | -162.9 | -160.3 | 157.5 | 0 | 0 | 113.1 | K31 H36 R50 P51 Y52 | K31-E33 PolarHBondContact O-N 2.89Å; E33-H36 PolarHBondContact O-CE1 2.77Å; E33-H36 PolarHBondContact O-NE2 2.95Å; E33-R50 IonicContact OE1-CZ 3.71Å; E33-R50 IonicContact OE1-NE 3.49Å; E33-R50 IonicContact OE1-NH1 3.98Å; E33-R50 PolarHBondContact OE1-NH1 3Å; E33-R50 IonicContact OE1-NH2 2.75Å; E33-R50 PolarHBondContact OE1-NH2 3.3Å; E33-R50 WeakPolarHBondContact OE2-CD 3.38Å; E33-R50 IonicContact OE2-CZ 2.88Å; E33-R50 IonicContact OE2-NE 3.6Å; E33-R50 PolarHBondContact OE2-NE 2.73Å; E33-R50 IonicContact OE2-NH1 2.67Å; E33-R50 PolarHBondContact OE2-NH1 3.29Å; E33-R50 IonicContact OE2-NH2 2.69Å; E33-R50 PolarHBondContact OE2-NH2 3.04Å; E33-P51 PolarHBondContact N-O 3.12Å; E33-Y52 HydrophobicContact CB-CD1 4.48Å; E33-Y52 HydrophobicContact CB-CE1 3.85Å; E33-Y52 PolarHBondContact OE2-OH 2.87Å |
| 34 | R | 87.8 | Confident | 89 | Confident | 132 Ų | 132 | 61 Ų | 61 | 50% | 0.498 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -43 | -175.2 | -176.5 | 174.6 | -179.4 | 163.5 | 2.2 | 113.5 | C32 C57 A60 | C32-R34 VanDerWaalsContact C-N 3.35Å; C32-R34 PolarHBondContact SG-N 3.34Å; C32-R34 VanDerWaalsContact SG-N 3.43Å; R34-C57 HydrophobicContact CB-CB 4.2Å; R34-A60 VanDerWaalsContact NH1-CB 3.27Å |
| 35 | C | 90.1 | Very high | 89 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 0.2 | -177 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | C32 S37 C53 | C32-C35 WeakPolarHBondContact CB-SG 3.48Å; C35-S37 PolarHBondContact O-N 3.02Å; C35-S37 PolarHBondContact O-OG 2.96Å; C35-S37 PolarHBondContact SG-OG 3.09Å; C35-C53 PolarHBondContact SG-SG 3.31Å |
| 36 | H | 89.1 | Confident | 88.9 | Confident | 130 Ų | 130 | 62.4 Ų | 62.4 | 60% | 0.602 | 34% | 0.341 | S | S | * | . | trans | 56.2 | 7.9 | -179.9 | -58.3 | -63.1 | 0 | 0 | 0 | 116 | C32 E33 | C32-H36 WeakPolarHBondContact O-CA 3.24Å; C32-H36 PolarHBondContact O-N 3.38Å; E33-H36 PolarHBondContact O-CE1 2.77Å; E33-H36 PolarHBondContact O-NE2 2.95Å | ||
| 37 | S | 88.7 | Confident | 88.7 | Confident | 60 Ų | 60 | 64 Ų | 64 | 42% | 0.42 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 135.1 | 177.1 | -47.3 | 0 | 0 | 0 | 0 | 110.7 | K31 C32 C35 L39 | K31-S37 CarbonylContact C-O 3.5Å; K31-S37 VanDerWaalsContact CA-O 3.28Å; K31-S37 WeakPolarHBondContact CA-O 3.41Å; C32-S37 PolarHBondContact N-O 3.16Å; C35-S37 PolarHBondContact O-N 3.02Å; C35-S37 PolarHBondContact O-OG 2.96Å; C35-S37 PolarHBondContact SG-OG 3.09Å; S37-L39 PolarHBondContact O-N 2.81Å |
| 38 | V | 89.4 | Confident | 88.6 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 65% | 0.648 | 36% | 0.357 | S | S | * | . | B | Isolated β-bridge | trans | -61.8 | 128.9 | 171.1 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 39 | L | 88.9 | Confident | 88.3 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 145.6 | -175.2 | -67.8 | 167.2 | 0 | 0 | 0 | 110 | L30 C32 S37 H44 P51 C53 | L30-L39 HydrophobicContact CD2-CB 4.5Å; L30-L39 WeakPolarHBondContact CD2-O 3.23Å; L30-L39 HydrophobicContact CG-CB 4.2Å; L30-L39 PolarHBondContact O-N 2.8Å; C32-L39 HydrophobicContact CB-CD1 4Å; C32-L39 HydrophobicContact CB-CD2 4.18Å; C32-L39 HydrophobicContact CB-CG 4.18Å; S37-L39 PolarHBondContact O-N 2.81Å; L39-H44 HydrophobicContact CB-CB 4.11Å; L39-H44 HydrophobicContact CD1-CB 3.79Å; L39-H44 HydrophobicContact CD2-CB 4.12Å; L39-H44 HydrophobicContact CG-CB 4.23Å; L39-P51 HydrophobicContact CD1-CB 3.75Å; L39-P51 HydrophobicContact CD1-CG 4.36Å; L39-C53 HydrophobicContact CD2-CB 4.34Å; L39-C53 VanDerWaalsContact CD2-SG 3.53Å |
| 40 | S | 86.1 | Confident | 88.2 | Confident | 82 Ų | 82 | 61 Ų | 61 | 57% | 0.573 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -74 | 143.3 | 173.5 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | G42 G43 H44 | S40-G42 PolarHBondContact O-N 3.44Å; S40-G43 PolarHBondContact O-N 3.37Å; S40-H44 PolarHBondContact O-ND1 3.15Å; S40-H44 VanDerWaalsContact O-ND1 3.16Å |
| 41 | P | 86.1 | Confident | 88.2 | Confident | 85 Ų | 85 | 61 Ų | 61 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 127.6 | 172.5 | -13.4 | 26 | 0 | 0 | 0 | 109.5 | V18 G43 | V18-P41 HydrophobicContact CG1-CB 3.77Å; V18-P41 HydrophobicContact CG1-CG 3.54Å; P41-G43 VanDerWaalsContact C-N 3.26Å; P41-G43 PolarHBondContact O-N 2.69Å |
| 42 | G | 83.6 | Confident | 88.2 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 56% | 0.557 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -9.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S20 S40 | S20-G42 WeakPolarHBondContact OG-CA 3.27Å; S20-G42 PolarHBondContact OG-N 3.3Å; S40-G42 PolarHBondContact O-N 3.44Å |
| 43 | G | 84.6 | Confident | 88.2 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 43% | 0.433 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -108.9 | 34.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S40 P41 H54 | S40-G43 PolarHBondContact O-N 3.37Å; P41-G43 VanDerWaalsContact C-N 3.26Å; P41-G43 PolarHBondContact O-N 2.69Å; G43-H54 VanDerWaalsContact C-CD2 3.43Å; G43-H54 PolarHBondContact O-CD2 3.15Å |
| 44 | H | 89.2 | Confident | 88.2 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -142.7 | 161.5 | 179.6 | 66 | -91.5 | 0 | 0 | 0 | 112 | S20 L21 L30 L39 S40 Y52 H54 | S20-H44 WeakPolarHBondContact CB-CE1 3.2Å; S20-H44 PolarHBondContact OG-CE1 2.83Å; L21-H44 WeakPolarHBondContact CD1-O 3.23Å; L30-H44 WeakPolarHBondContact CD1-CE1 3.42Å; L39-H44 HydrophobicContact CB-CB 4.11Å; L39-H44 HydrophobicContact CD1-CB 3.79Å; L39-H44 HydrophobicContact CD2-CB 4.12Å; L39-H44 HydrophobicContact CG-CB 4.23Å; S40-H44 PolarHBondContact O-ND1 3.15Å; S40-H44 VanDerWaalsContact O-ND1 3.16Å; H44-Y52 WeakPolarHBondContact CB-O 3.47Å; H44-H54 VanDerWaalsContact C-CE1 3.49Å; H44-H54 WeakPolarHBondContact CA-NE2 3.12Å; H44-H54 PolarHBondContact N-NE2 2.93Å; H44-H54 PolarHBondContact O-CE1 3.34Å; H44-H54 PolarHBondContact O-NE2 2.63Å |
| 45 | A | 90.4 | Very high | 88 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 138.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y52 Y58 | A45-Y52 PolarHBondContact N-O 3.29Å; A45-Y52 PolarHBondContact O-N 3.28Å; A45-Y58 HydrophobicContact CB-CD1 4.07Å; A45-Y58 HydrophobicContact CB-CD2 3.27Å; A45-Y58 HydrophobicContact CB-CE1 4.39Å; A45-Y58 HydrophobicContact CB-CE2 3.62Å; A45-Y58 HydrophobicContact CB-CG 3.51Å |
| 46 | E | 89.5 | Confident | 87.9 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 19% | 0.192 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.7 | 173 | -166.2 | -168.7 | 140.2 | 0 | 0 | 109.8 | L21 K23 W25 G49 | L21-E46 HydrophobicContact CD1-CB 4Å; K23-E46 VanDerWaalsContact CD-OE2 3.26Å; K23-E46 WeakPolarHBondContact CD-OE2 3.44Å; K23-E46 VanDerWaalsContact CE-OE1 3.31Å; K23-E46 WeakPolarHBondContact CE-OE1 3.36Å; K23-E46 VanDerWaalsContact CE-OE2 3.27Å; K23-E46 WeakPolarHBondContact CE-OE2 3.43Å; K23-E46 IonicContact NZ-OE1 2.91Å; K23-E46 PolarHBondContact NZ-OE1 3.13Å; K23-E46 IonicContact NZ-OE2 2.65Å; W25-E46 HydrophobicContact CH2-CG 4.34Å; W25-E46 HydrophobicContact CZ2-CG 4.26Å; E46-G49 VanDerWaalsContact OE1-CA 3.27Å; E46-G49 WeakPolarHBondContact OE1-CA 3.23Å; E46-G49 PolarHBondContact OE1-N 3.18Å |
| 47 | H | 87.9 | Confident | 88 | Confident | 52 Ų | 52 | 60 Ų | 60 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 123 | 168.2 | -166.7 | -82.7 | 0 | 0 | 0 | 109 | G49 R50 Y52 Y58 F62 | H47-G49 VanDerWaalsContact C-N 3.34Å; H47-G49 PolarHBondContact O-N 3.14Å; H47-R50 PolarHBondContact N-O 3.22Å; H47-R50 WeakPolarHBondContact O-CB 3.38Å; H47-R50 PolarHBondContact O-N 2.73Å; H47-Y52 HydrophobicContact CB-CD2 3.97Å; H47-Y52 HydrophobicContact CB-CE2 3.8Å; H47-Y58 HydrophobicContact CB-CD2 4.47Å; H47-Y58 HydrophobicContact CB-CE2 3.95Å; H47-F62 HydrophobicContact CB-CD2 3.96Å; H47-F62 HydrophobicContact CB-CE1 4.42Å; H47-F62 HydrophobicContact CB-CE2 3.64Å; H47-F62 HydrophobicContact CB-CG 4.48Å; H47-F62 HydrophobicContact CB-CZ 3.89Å; H47-F62 AromaticContact CD2-CD1 3.46Å; H47-F62 VanDerWaalsContact CD2-CD1 3.46Å; H47-F62 WeakPolarHBondContact CD2-CD1 3.43Å; H47-F62 AromaticContact CD2-CD2 3.85Å; H47-F62 AromaticContact CD2-CE1 3.8Å; H47-F62 AromaticContact CD2-CG 3.48Å; H47-F62 VanDerWaalsContact CD2-CG 3.48Å; H47-F62 WeakPolarHBondContact CD2-CG 3.25Å; H47-F62 AromaticContact CE1-CD1 3.43Å; H47-F62 VanDerWaalsContact CE1-CD1 3.43Å; H47-F62 WeakPolarHBondContact CE1-CD1 3.46Å; H47-F62 AromaticContact CE1-CE1 3.24Å; H47-F62 WeakPolarHBondContact CE1-CE1 3.34Å; H47-F62 AromaticContact CE1-CZ 3.92Å; H47-F62 AromaticContact CG-CD1 3.75Å; H47-F62 AromaticContact CG-CD2 3.83Å; H47-F62 AromaticContact CG-CE1 3.59Å; H47-F62 AromaticContact CG-CE2 3.68Å; H47-F62 AromaticContact CG-CG 3.87Å; H47-F62 AromaticContact CG-CZ 3.55Å; H47-F62 AromaticContact ND1-CD1 3.73Å; H47-F62 AromaticContact ND1-CE1 3.23Å; H47-F62 WeakPolarHBondContact ND1-CE1 3.29Å; H47-F62 AromaticContact ND1-CZ 3.41Å; H47-F62 WeakPolarHBondContact ND1-CZ 3.31Å; H47-F62 AromaticContact NE2-CD1 3.25Å; H47-F62 VanDerWaalsContact NE2-CD1 3.25Å; H47-F62 WeakPolarHBondContact NE2-CD1 3.5Å; H47-F62 AromaticContact NE2-CE1 3.6Å; H47-F62 AromaticContact NE2-CG 3.76Å |
| 48 | N | 84.6 | Confident | 88.1 | Confident | 139 Ų | 139 | 60.9 Ų | 60.9 | 74% | 0.743 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 44.2 | 180 | -63.2 | -24.7 | 0 | 0 | 0 | 114.7 | R50 | N48-R50 PolarHBondContact O-N 3.43Š|
| 49 | G | 82.9 | Confident | 88 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 7.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | W25 E46 H47 | W25-G49 VanDerWaalsContact CH2-O 3.31Å; W25-G49 WeakPolarHBondContact CH2-O 3.17Å; E46-G49 VanDerWaalsContact OE1-CA 3.27Å; E46-G49 WeakPolarHBondContact OE1-CA 3.23Å; E46-G49 PolarHBondContact OE1-N 3.18Å; H47-G49 VanDerWaalsContact C-N 3.34Å; H47-G49 PolarHBondContact O-N 3.14Å |
| 50 | R | 88.3 | Confident | 87.9 | Confident | 116 Ų | 116 | 59.4 Ų | 59.4 | 44% | 0.438 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.3 | -178.5 | -58.9 | 174.9 | 117.5 | -157.2 | -10.2 | 110.1 | E33 H47 N48 Y52 | E33-R50 IonicContact OE1-CZ 3.71Å; E33-R50 IonicContact OE1-NE 3.49Å; E33-R50 IonicContact OE1-NH1 3.98Å; E33-R50 PolarHBondContact OE1-NH1 3Å; E33-R50 IonicContact OE1-NH2 2.75Å; E33-R50 PolarHBondContact OE1-NH2 3.3Å; E33-R50 WeakPolarHBondContact OE2-CD 3.38Å; E33-R50 IonicContact OE2-CZ 2.88Å; E33-R50 IonicContact OE2-NE 3.6Å; E33-R50 PolarHBondContact OE2-NE 2.73Å; E33-R50 IonicContact OE2-NH1 2.67Å; E33-R50 PolarHBondContact OE2-NH1 3.29Å; E33-R50 IonicContact OE2-NH2 2.69Å; E33-R50 PolarHBondContact OE2-NH2 3.04Å; H47-R50 PolarHBondContact N-O 3.22Å; H47-R50 WeakPolarHBondContact O-CB 3.38Å; H47-R50 PolarHBondContact O-N 2.73Å; N48-R50 PolarHBondContact O-N 3.43Å; R50-Y52 HydrophobicContact CB-CE2 3.75Å; R50-Y52 VanDerWaalsContact O-CD2 3.23Å; R50-Y52 WeakPolarHBondContact O-CD2 3.25Å; R50-Y52 WeakPolarHBondContact O-CE2 3.46Å |
| 51 | P | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 138.5 | -177.3 | 34 | -33.1 | 0 | 0 | 0 | 110.9 | W25 L30 C32 E33 L39 | W25-P51 HydrophobicContact CE3-CG 4.36Å; W25-P51 HydrophobicContact CH2-CB 4.22Å; W25-P51 HydrophobicContact CH2-CG 4.13Å; W25-P51 HydrophobicContact CZ3-CB 4.36Å; W25-P51 HydrophobicContact CZ3-CG 3.81Å; L30-P51 HydrophobicContact CD1-CB 4.26Å; C32-P51 WeakPolarHBondContact CA-O 3.38Å; E33-P51 PolarHBondContact N-O 3.12Å; L39-P51 HydrophobicContact CD1-CB 3.75Å; L39-P51 HydrophobicContact CD1-CG 4.36Å |
| 52 | Y | 91.7 | Very high | 87.8 | Confident | 13 Ų | 13 | 57 Ų | 57 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150.2 | -179.6 | -63.1 | -85.3 | 0 | 0 | 0 | 111.7 | E33 H44 A45 H47 R50 L61 F62 | E33-Y52 HydrophobicContact CB-CD1 4.48Å; E33-Y52 HydrophobicContact CB-CE1 3.85Å; E33-Y52 PolarHBondContact OE2-OH 2.87Å; H44-Y52 WeakPolarHBondContact CB-O 3.47Å; A45-Y52 PolarHBondContact N-O 3.29Å; A45-Y52 PolarHBondContact O-N 3.28Å; H47-Y52 HydrophobicContact CB-CD2 3.97Å; H47-Y52 HydrophobicContact CB-CE2 3.8Å; R50-Y52 HydrophobicContact CB-CE2 3.75Å; R50-Y52 VanDerWaalsContact O-CD2 3.23Å; R50-Y52 WeakPolarHBondContact O-CD2 3.25Å; R50-Y52 WeakPolarHBondContact O-CE2 3.46Å; Y52-L61 HydrophobicContact CD1-CD1 4.09Å; Y52-L61 HydrophobicContact CE1-CD1 3.76Å; Y52-F62 HydrophobicContact CD1-CE2 4.48Å; Y52-F62 AromaticContact CD2-CE2 3.89Å; Y52-F62 HydrophobicContact CD2-CE2 3.89Å; Y52-F62 HydrophobicContact CE1-CE2 4.31Å; Y52-F62 AromaticContact CE2-CE2 3.66Å; Y52-F62 HydrophobicContact CE2-CE2 3.66Å; Y52-F62 HydrophobicContact CE2-CZ 4.01Å; Y52-F62 HydrophobicContact CG-CE2 4.3Å; Y52-F62 AromaticContact CZ-CE2 3.9Å |
| 53 | C | 92.3 | Very high | 87.7 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 14% | 0.142 | 31% | 0.307 | C | S | . | . | trans | -62.1 | 137.3 | 168.5 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | C35 L39 K55 C57 Y58 | C35-C53 PolarHBondContact SG-SG 3.31Å; L39-C53 HydrophobicContact CD2-CB 4.34Å; L39-C53 VanDerWaalsContact CD2-SG 3.53Å; C53-K55 VanDerWaalsContact C-N 3.27Å; C53-K55 PolarHBondContact O-N 3.44Å; C53-C57 HydrophobicContact CB-CB 4Å; C53-Y58 WeakPolarHBondContact O-CB 3.38Å; C53-Y58 PolarHBondContact O-N 2.9Å | ||
| 54 | H | 88.7 | Confident | 87.5 | Confident | 104 Ų | 104 | 60 Ų | 60 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -53.7 | -44.4 | 173.4 | -75.1 | -71.4 | 0 | 0 | 0 | 112.3 | G43 H44 | G43-H54 VanDerWaalsContact C-CD2 3.43Å; G43-H54 PolarHBondContact O-CD2 3.15Å; H44-H54 VanDerWaalsContact C-CE1 3.49Å; H44-H54 WeakPolarHBondContact CA-NE2 3.12Å; H44-H54 PolarHBondContact N-NE2 2.93Å; H44-H54 PolarHBondContact O-CE1 3.34Å; H44-H54 PolarHBondContact O-NE2 2.63Å |
| 55 | K | 85 | Confident | 86.1 | Confident | 190 Ų | 190 | 69 Ų | 69 | 83% | 0.826 | 36% | 0.363 | S | S | * | . | I | π-helix | trans | -137.8 | 139.4 | 174.3 | -69.1 | 176.3 | 177.8 | 166.9 | 0 | 109.5 | C53 | C53-K55 VanDerWaalsContact C-N 3.27Å; C53-K55 PolarHBondContact O-N 3.44Å |
| 56 | P | 87.8 | Confident | 84.5 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 68% | 0.675 | 39% | 0.388 | S | S | * | . | I | π-helix | cis | -86.5 | -9 | -6.2 | 34.5 | -34.3 | 0 | 0 | 0 | 114.1 | A60 | P56-A60 VanDerWaalsContact O-CB 3.25Å; P56-A60 WeakPolarHBondContact O-CB 3.25Å; P56-A60 PolarHBondContact O-N 3.49Å; P56-A60 VanDerWaalsContact O-N 3.12Å |
| 57 | C | 89.9 | Confident | 82.8 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.034 | 41% | 0.413 | C | S | . | . | I | π-helix | trans | -64.3 | -52.6 | -164.4 | -60.6 | 0 | 0 | 0 | 0 | 114.5 | R34 C53 L61 | R34-C57 HydrophobicContact CB-CB 4.2Å; C53-C57 HydrophobicContact CB-CB 4Å; C57-L61 PolarHBondContact O-N 3.47Å |
| 58 | Y | 90.6 | Very high | 81 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 31% | 0.31 | 45% | 0.445 | S | S | . | . | I | π-helix | trans | -66.5 | -49.4 | -176.6 | -175.2 | -91.4 | 0 | 0 | 0 | 111.5 | A45 H47 C53 A60 L61 F62 | A45-Y58 HydrophobicContact CB-CD1 4.07Å; A45-Y58 HydrophobicContact CB-CD2 3.27Å; A45-Y58 HydrophobicContact CB-CE1 4.39Å; A45-Y58 HydrophobicContact CB-CE2 3.62Å; A45-Y58 HydrophobicContact CB-CG 3.51Å; H47-Y58 HydrophobicContact CB-CD2 4.47Å; H47-Y58 HydrophobicContact CB-CE2 3.95Å; C53-Y58 WeakPolarHBondContact O-CB 3.38Å; C53-Y58 PolarHBondContact O-N 2.9Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 2.83Å; Y58-L61 PolarHBondContact O-N 3.05Å; Y58-L61 VanDerWaalsContact O-N 3.15Å; Y58-F62 AromaticContact CD2-CD2 3.72Å; Y58-F62 HydrophobicContact CD2-CD2 3.72Å; Y58-F62 HydrophobicContact CD2-CE2 4.39Å; Y58-F62 HydrophobicContact CE1-CB 4.47Å; Y58-F62 AromaticContact CE2-CD2 3.97Å; Y58-F62 HydrophobicContact CE2-CD2 3.97Å; Y58-F62 HydrophobicContact CG-CD2 4.24Å; Y58-F62 PolarHBondContact O-N 3.39Å |
| 59 | G | 87.8 | Confident | 79.3 | Confident | 41 Ų | 41 | 81 Ų | 81 | 42% | 0.423 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.9 | -34.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | G63 | G59-G63 WeakPolarHBondContact O-CA 3.37Å; G59-G63 PolarHBondContact O-N 3.29Å |
| 60 | A | 86.4 | Confident | 77.8 | Confident | 54 Ų | 54 | 83.7 Ų | 83.7 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77.3 | -20.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R34 P56 Y58 | R34-A60 VanDerWaalsContact NH1-CB 3.27Å; P56-A60 VanDerWaalsContact O-CB 3.25Å; P56-A60 WeakPolarHBondContact O-CB 3.25Å; P56-A60 PolarHBondContact O-N 3.49Å; P56-A60 VanDerWaalsContact O-N 3.12Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 2.83Å |
| 61 | L | 84.2 | Confident | 76 | Confident | 49 Ų | 49 | 81.6 Ų | 81.6 | 26% | 0.257 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -99.3 | -39 | 179.5 | -71.1 | 173.9 | 0 | 0 | 0 | 112.8 | Y52 C57 Y58 R65 | Y52-L61 HydrophobicContact CD1-CD1 4.09Å; Y52-L61 HydrophobicContact CE1-CD1 3.76Å; C57-L61 PolarHBondContact O-N 3.47Å; Y58-L61 PolarHBondContact O-N 3.05Å; Y58-L61 VanDerWaalsContact O-N 3.15Å; L61-R65 PolarHBondContact O-NH1 3.24Å |
| 62 | F | 86.6 | Confident | 73.7 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 30% | 0.298 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -127.1 | -1.6 | -169 | -48.2 | -67.4 | 0 | 0 | 0 | 112.8 | H47 Y52 Y58 | H47-F62 HydrophobicContact CB-CD2 3.96Å; H47-F62 HydrophobicContact CB-CE1 4.42Å; H47-F62 HydrophobicContact CB-CE2 3.64Å; H47-F62 HydrophobicContact CB-CG 4.48Å; H47-F62 HydrophobicContact CB-CZ 3.89Å; H47-F62 AromaticContact CD2-CD1 3.46Å; H47-F62 VanDerWaalsContact CD2-CD1 3.46Å; H47-F62 WeakPolarHBondContact CD2-CD1 3.43Å; H47-F62 AromaticContact CD2-CD2 3.85Å; H47-F62 AromaticContact CD2-CE1 3.8Å; H47-F62 AromaticContact CD2-CG 3.48Å; H47-F62 VanDerWaalsContact CD2-CG 3.48Å; H47-F62 WeakPolarHBondContact CD2-CG 3.25Å; H47-F62 AromaticContact CE1-CD1 3.43Å; H47-F62 VanDerWaalsContact CE1-CD1 3.43Å; H47-F62 WeakPolarHBondContact CE1-CD1 3.46Å; H47-F62 AromaticContact CE1-CE1 3.24Å; H47-F62 WeakPolarHBondContact CE1-CE1 3.34Å; H47-F62 AromaticContact CE1-CZ 3.92Å; H47-F62 AromaticContact CG-CD1 3.75Å; H47-F62 AromaticContact CG-CD2 3.83Å; H47-F62 AromaticContact CG-CE1 3.59Å; H47-F62 AromaticContact CG-CE2 3.68Å; H47-F62 AromaticContact CG-CG 3.87Å; H47-F62 AromaticContact CG-CZ 3.55Å; H47-F62 AromaticContact ND1-CD1 3.73Å; H47-F62 AromaticContact ND1-CE1 3.23Å; H47-F62 WeakPolarHBondContact ND1-CE1 3.29Å; H47-F62 AromaticContact ND1-CZ 3.41Å; H47-F62 WeakPolarHBondContact ND1-CZ 3.31Å; H47-F62 AromaticContact NE2-CD1 3.25Å; H47-F62 VanDerWaalsContact NE2-CD1 3.25Å; H47-F62 WeakPolarHBondContact NE2-CD1 3.5Å; H47-F62 AromaticContact NE2-CE1 3.6Å; H47-F62 AromaticContact NE2-CG 3.76Å; Y52-F62 HydrophobicContact CD1-CE2 4.48Å; Y52-F62 AromaticContact CD2-CE2 3.89Å; Y52-F62 HydrophobicContact CD2-CE2 3.89Å; Y52-F62 HydrophobicContact CE1-CE2 4.31Å; Y52-F62 AromaticContact CE2-CE2 3.66Å; Y52-F62 HydrophobicContact CE2-CE2 3.66Å; Y52-F62 HydrophobicContact CE2-CZ 4.01Å; Y52-F62 HydrophobicContact CG-CE2 4.3Å; Y52-F62 AromaticContact CZ-CE2 3.9Å; Y58-F62 AromaticContact CD2-CD2 3.72Å; Y58-F62 HydrophobicContact CD2-CD2 3.72Å; Y58-F62 HydrophobicContact CD2-CE2 4.39Å; Y58-F62 HydrophobicContact CE1-CB 4.47Å; Y58-F62 AromaticContact CE2-CD2 3.97Å; Y58-F62 HydrophobicContact CE2-CD2 3.97Å; Y58-F62 HydrophobicContact CG-CD2 4.24Å; Y58-F62 PolarHBondContact O-N 3.39Å |
| 63 | G | 81.4 | Confident | 71.8 | Confident | 21 Ų | 21 | 91.1 Ų | 91.1 | 22% | 0.216 | 56% | 0.561 | C | S | . | * | S | Bend | trans | -64.9 | 156.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G59 R65 | G59-G63 WeakPolarHBondContact O-CA 3.37Å; G59-G63 PolarHBondContact O-N 3.29Å; G63-R65 PolarHBondContact O-N 3.43Å |
| 64 | P | 80.2 | Confident | 69.4 | Low | 136 Ų | 136 | 94.9 Ų | 94.9 | 88% | 0.883 | 59% | 0.587 | S | S | * | * | trans | -52.8 | 113.4 | 175.8 | 22.2 | -32.3 | 0 | 0 | 0 | 108.9 | G66 | P64-G66 PolarHBondContact O-N 2.96Š| ||
| 65 | R | 59.9 | Low | 67.6 | Low | 193 Ų | 193 | 99.6 Ų | 99.6 | 73% | 0.728 | 60% | 0.602 | S | S | * | * | trans | -74.1 | 71.7 | 175.3 | -78.7 | -174.8 | 154.2 | 90.7 | 1.1 | 108.4 | L61 G63 V67 | L61-R65 PolarHBondContact O-NH1 3.24Å; G63-R65 PolarHBondContact O-N 3.43Å; R65-V67 PolarHBondContact O-N 3.29Å | ||
| 66 | G | 57.4 | Low | 65.8 | Low | 60 Ų | 60 | 97.6 Ų | 97.6 | 62% | 0.619 | 60% | 0.6 | S | S | * | * | trans | -66.5 | 113.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | P64 N68 | P64-G66 PolarHBondContact O-N 2.96Å; G66-N68 PolarHBondContact O-N 2.9Å | ||
| 67 | V | 54.3 | Low | 63.7 | Low | 115 Ų | 115 | 102.7 Ų | 102.7 | 70% | 0.697 | 61% | 0.607 | S | S | * | * | trans | -36.5 | 133.1 | 154.1 | -84.6 | 0 | 0 | 0 | 0 | 109.5 | R65 I69 | R65-V67 PolarHBondContact O-N 3.29Å; V67-I69 HydrophobicContact CB-CG1 4.36Å; V67-I69 HydrophobicContact CG2-CD1 3.8Å; V67-I69 HydrophobicContact CG2-CG1 4.11Å; V67-I69 PolarHBondContact O-N 3.28Å | ||
| 68 | N | 48.3 | Very low | 61.6 | Low | 173 Ų | 173 | 109.4 Ų | 109.4 | 93% | 0.925 | 64% | 0.643 | S | S | * | * | trans | -65.1 | 74.3 | 166.3 | -69.8 | -75.3 | 0 | 0 | 0 | 108.6 | G66 | G66-N68 PolarHBondContact O-N 2.9Š| ||
| 69 | I | 50.5 | Low | 59.2 | Low | 144 Ų | 144 | 110 Ų | 110 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | trans | -91 | 107.6 | 154.7 | -62.7 | 165.7 | 0 | 0 | 0 | 103.2 | V67 G71 | V67-I69 HydrophobicContact CB-CG1 4.36Å; V67-I69 HydrophobicContact CG2-CD1 3.8Å; V67-I69 HydrophobicContact CG2-CG1 4.11Å; V67-I69 PolarHBondContact O-N 3.28Å; I69-G71 PolarHBondContact O-N 2.86Å | ||
| 70 | G | 51.5 | Low | 57.2 | Low | 71 Ų | 71 | 113.7 Ų | 113.7 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | trans | -49.8 | 135 | -172 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 71 | G | 49.8 | Very low | 55.3 | Low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 54.4 | 85.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I69 | I69-G71 PolarHBondContact O-N 2.86Š|
| 72 | V | 44 | Very low | 53.3 | Low | 141 Ų | 141 | 121.4 Ų | 121.4 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | 164.2 | 127.4 | 132.4 | 153.3 | 0 | 0 | 0 | 0 | 106.8 | S74 | V72-S74 PolarHBondContact O-N 3.46Š| ||
| 73 | G | 51.3 | Low | 51.1 | Low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | -64.3 | 130.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 74 | S | 42.5 | Very low | 49.3 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -121.2 | 101.8 | 160.6 | 58.6 | 0 | 0 | 0 | 0 | 108.2 | V72 L76 | V72-S74 PolarHBondContact O-N 3.46Å; S74-L76 PolarHBondContact O-N 2.82Å | ||
| 75 | Y | 50.6 | Low | 47.3 | Very low | 204 Ų | 204 | 125.5 Ų | 125.5 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -67.9 | 108.3 | 161.4 | 49.4 | -84.5 | 0 | 0 | 0 | 107 | Y77 | Y75-Y77 HydrophobicContact CD2-CD2 4.43Š| ||
| 76 | L | 45.9 | Very low | 46.2 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -82.4 | 114 | 157.9 | -107.2 | 89.2 | 0 | 0 | 0 | 106.8 | S74 | S74-L76 PolarHBondContact O-N 2.82Š| ||
| 77 | Y | 45.6 | Very low | 45.6 | Very low | 210 Ų | 210 | 125 Ų | 125 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 123.1 | 156.3 | -98 | -93 | 0 | 0 | 0 | 107.8 | Y75 A79 | Y75-Y77 HydrophobicContact CD2-CD2 4.43Å; Y77-A79 PolarHBondContact O-N 3.38Å |
| 78 | N | 45.6 | Very low | 45.2 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119.9 | 161.6 | -89.9 | 19.8 | 0 | 0 | 0 | 108 | ||
| 79 | A | 39.1 | Very low | 45.1 | Very low | 92 Ų | 92 | 123.5 Ų | 123.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 135.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | Y77 | Y77-A79 PolarHBondContact O-N 3.38Š|
| 80 | P | 46.4 | Very low | 44.7 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 131.7 | 159.6 | 15.6 | -1.3 | 0 | 0 | 0 | 109.2 | ||
| 81 | T | 47 | Very low | 44.9 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 137.5 | 165.7 | 32 | 0 | 0 | 0 | 0 | 110.8 | ||
| 82 | P | 41.5 | Very low | 45 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | -139.4 | 161.9 | 115.8 | 30.3 | -12.7 | 0 | 0 | 0 | 113.4 | |||||
| 83 | S | 39.6 | Very low | 45.2 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -81.3 | -171.2 | -174 | 64 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 84 | P | 45.1 | Very low | 44.7 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -103.1 | 157.8 | -123.3 | 34.2 | -16.5 | 0 | 0 | 0 | 115 | |||||
| 85 | G | 37.2 | Very low | 45.3 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 113.8 | 103.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 86 | S | 37.6 | Very low | 45.5 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 171.1 | 106 | 115 | 39.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 87 | T | 44.7 | Very low | 46.5 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | 37.1 | 112.3 | 137.8 | -8.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 88 | T | 45.6 | Very low | 47 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | -166.2 | 140.9 | 121.1 | 12.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 89 | P | 45.4 | Very low | 47.2 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 127 | -174.8 | 32.5 | -29.8 | 0 | 0 | 0 | 111.5 | ||
| 90 | L | 43.8 | Very low | 47.5 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -101 | 119.9 | 166.5 | -82.7 | 151.3 | 0 | 0 | 0 | 109.3 | ||
| 91 | S | 54.8 | Low | 47.6 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 162.8 | 175.5 | -79.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 92 | P | 52.1 | Low | 47.5 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 150.2 | -162.8 | 36.4 | -34.9 | 0 | 0 | 0 | 114.6 | ||
| 93 | S | 47.1 | Very low | 48 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | 72.9 | 117.5 | 144 | -52.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 94 | S | 42.2 | Very low | 48.3 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | -169.1 | 82.3 | 122.4 | -77.1 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 95 | F | 55.5 | Low | 48.4 | Very low | 208 Ų | 208 | 134 Ų | 134 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 116.6 | 169 | -74.9 | -81.9 | 0 | 0 | 0 | 109.1 | ||
| 96 | S | 54.2 | Low | 49.4 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 138.1 | 164.8 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 97 | P | 66.4 | Low | 49.5 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70 | 144.2 | 178.1 | 25.9 | -31.4 | 0 | 0 | 0 | 111.8 | R99 | P97-R99 PolarHBondContact O-N 2.79Š|
| 98 | P | 55.7 | Low | 49.9 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125.6 | 168.9 | 27.5 | -29.6 | 0 | 0 | 0 | 109.7 | ||
| 99 | R | 50.1 | Low | 49.5 | Very low | 225 Ų | 225 | 143.8 Ų | 143.8 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 139 | 179.1 | -164.5 | 175.9 | -159.2 | -105.8 | 4.8 | 111 | P97 R101 | P97-R99 PolarHBondContact O-N 2.79Å; R99-R101 PolarHBondContact O-N 2.72Å |
| 100 | P | 45.1 | Very low | 50 | Low | 102 Ų | 102 | 143.5 Ų | 143.5 | 66% | 0.662 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.1 | 172.4 | -20.3 | 31.6 | 0 | 0 | 0 | 111.1 | T102 | P100-T102 VanDerWaalsContact C-N 3.27Å; P100-T102 PolarHBondContact O-N 2.81Å |
| 101 | R | 48.8 | Very low | 50.8 | Low | 248 Ų | 248 | 140.5 Ų | 140.5 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -81.6 | 78 | 172.6 | -157.1 | -175.7 | -61.5 | -141.2 | 2.8 | 108.5 | R99 | R99-R101 PolarHBondContact O-N 2.72Š| ||
| 102 | T | 45.1 | Very low | 50.7 | Low | 115 Ų | 115 | 140.7 Ų | 140.7 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -63.6 | 132.5 | 167.7 | -26.3 | 0 | 0 | 0 | 0 | 108.5 | P100 | P100-T102 VanDerWaalsContact C-N 3.27Å; P100-T102 PolarHBondContact O-N 2.81Å | ||
| 103 | G | 51.7 | Low | 51.2 | Low | 69 Ų | 69 | 142.4 Ų | 142.4 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -56.5 | 138.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 104 | L | 45.4 | Very low | 51.5 | Low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -105.6 | 127.6 | 163.4 | -127.2 | 82.3 | 0 | 0 | 0 | 108.1 | ||||
| 105 | P | 48.9 | Very low | 53 | Low | 121 Ų | 121 | 147.9 Ų | 147.9 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -68.4 | 152.1 | 180 | 26.6 | -32.4 | 0 | 0 | 0 | 112.2 | G107 | P105-G107 PolarHBondContact O-N 3.5Š| ||
| 106 | Q | 57 | Low | 52.6 | Low | 198 Ų | 198 | 144.5 Ų | 144.5 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -46.6 | 117.1 | 175.9 | -71.8 | 164.2 | -31.6 | 0 | 0 | 112.3 | ||||
| 107 | G | 41 | Very low | 52.3 | Low | 59 Ų | 59 | 147.7 Ų | 147.7 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | trans | -108.6 | 101.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P105 K109 | P105-G107 PolarHBondContact O-N 3.5Å; G107-K109 PolarHBondContact O-N 3.21Å | ||
| 108 | K | 51.1 | Low | 51.6 | Low | 211 Ų | 211 | 148.3 Ų | 148.3 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -59.1 | 113.2 | 165.5 | -62.4 | 176.2 | -179.6 | 177.5 | 0 | 107.6 | ||||
| 109 | K | 38.5 | Very low | 51.7 | Low | 189 Ų | 189 | 145.1 Ų | 145.1 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -131.1 | 100.4 | 169 | -53.7 | -173.9 | -170.7 | -175.6 | 0 | 107 | G107 | G107-K109 PolarHBondContact O-N 3.21Š| ||
| 110 | S | 55.1 | Low | 52.3 | Low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.1 | 165.4 | 38 | 0 | 0 | 0 | 0 | 109.5 | ||
| 111 | P | 61.5 | Low | 53.5 | Low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 147.1 | 169.1 | 27 | -28.6 | 0 | 0 | 0 | 109.8 | ||
| 112 | P | 52.9 | Low | 55 | Low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 136.1 | -175.9 | 29.9 | -31.8 | 0 | 0 | 0 | 110.2 | M114 | P112-M114 PolarHBondContact O-N 2.86Š|
| 113 | H | 62.6 | Low | 57.2 | Low | 148 Ų | 148 | 133.1 Ų | 133.1 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | -64.2 | 86.6 | 174.8 | -172.9 | -39.8 | 0 | 0 | 0 | 110.6 | K115 | H113-K115 WeakPolarHBondContact CE1-CE 3.34Å; H113-K115 WeakPolarHBondContact CE1-CG 3.41Å; H113-K115 WeakPolarHBondContact ND1-CG 3.45Å; H113-K115 PolarHBondContact O-N 2.92Å | ||
| 114 | M | 53.5 | Low | 59 | Low | 182 Ų | 182 | 129.9 Ų | 129.9 | 90% | 0.897 | 71% | 0.709 | S | S | * | * | trans | -76.4 | 112.6 | 160.7 | -83.4 | -156.8 | 163.8 | 0 | 0 | 109.3 | P112 | P112-M114 PolarHBondContact O-N 2.86Š| ||
| 115 | K | 72 | Confident | 61 | Low | 160 Ų | 160 | 124.2 Ų | 124.2 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | trans | -79.3 | 151.4 | 165.7 | -53.7 | -161.5 | -179.6 | -173.6 | 0 | 108.4 | H113 | H113-K115 WeakPolarHBondContact CE1-CE 3.34Å; H113-K115 WeakPolarHBondContact CE1-CG 3.41Å; H113-K115 WeakPolarHBondContact ND1-CG 3.45Å; H113-K115 PolarHBondContact O-N 2.92Å | ||
| 116 | T | 47.7 | Very low | 62.8 | Low | 138 Ų | 138 | 120.5 Ų | 120.5 | 85% | 0.847 | 67% | 0.666 | S | S | * | * | trans | 118.6 | 127.9 | 169.7 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 117 | F | 47.2 | Very low | 64.3 | Low | 180 Ų | 180 | 114 Ų | 114 | 79% | 0.789 | 64% | 0.642 | S | S | * | * | S | Bend | cis | -153.8 | 126.2 | 18.2 | -171.2 | -115 | 0 | 0 | 0 | 106.5 | G119 | F117-G119 PolarHBondContact O-N 2.95Š|
| 118 | T | 53.2 | Low | 66.5 | Low | 129 Ų | 129 | 113.7 Ų | 113.7 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | trans | 31 | 79.5 | 164.4 | 56.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 119 | G | 56.7 | Low | 68.2 | Low | 59 Ų | 59 | 109.5 Ų | 109.5 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | trans | -156.1 | 128 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | F117 T121 | F117-G119 PolarHBondContact O-N 2.95Å; G119-T121 PolarHBondContact O-N 3.02Å | ||
| 120 | E | 64.3 | Low | 70.7 | Confident | 197 Ų | 197 | 101.9 Ų | 101.9 | 92% | 0.921 | 59% | 0.592 | S | S | * | * | trans | -56.1 | 104 | 176.6 | -72.1 | 175.5 | 160.3 | 0 | 0 | 109.6 | S122 | E120-S122 PolarHBondContact O-N 3.19Š| ||
| 121 | T | 68.4 | Low | 72.3 | Confident | 102 Ų | 102 | 97 Ų | 97 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | trans | -73.1 | 97.5 | 177.5 | 51.4 | 0 | 0 | 0 | 0 | 108.4 | G119 L123 | G119-T121 PolarHBondContact O-N 3.02Å; T121-L123 PolarHBondContact O-N 2.97Å | ||
| 122 | S | 81.8 | Confident | 73.6 | Confident | 27 Ų | 27 | 98.9 Ų | 98.9 | 19% | 0.189 | 55% | 0.55 | C | S | . | * | P | Polyproline II helix | trans | -71.9 | 116.8 | 177.1 | 55 | 0 | 0 | 0 | 0 | 110.9 | E120 V131 N143 | E120-S122 PolarHBondContact O-N 3.19Å; S122-V131 WeakPolarHBondContact O-CB 3.28Å; S122-V131 PolarHBondContact O-N 3.48Å; S122-N143 VanDerWaalsContact CB-CG 3.46Å; S122-N143 WeakPolarHBondContact CB-ND2 3.39Å; S122-N143 VanDerWaalsContact OG-CB 3.3Å; S122-N143 WeakPolarHBondContact OG-CB 3.38Å; S122-N143 PolarHBondContact OG-ND2 3.43Å |
| 123 | L | 90 | Very high | 75.1 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 59% | 0.586 | 55% | 0.554 | S | S | * | * | B | Isolated β-bridge | trans | -77.2 | 142.6 | -179.6 | -62 | 167.5 | 0 | 0 | 0 | 111.5 | T121 P125 P130 | T121-L123 PolarHBondContact O-N 2.97Å; L123-P125 WeakPolarHBondContact O-CD 3.42Å; L123-P130 HydrophobicContact CD2-CB 4.44Å |
| 124 | C | 90.6 | Very high | 76.2 | Confident | 1 Ų | 1 | 100.3 Ų | 100.3 | 1% | 0.007 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -78 | 120.6 | 174.8 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | G126 C127 G128 E129 V131 N143 H145 C148 | C124-G126 PolarHBondContact O-N 3.32Å; C124-G126 PolarHBondContact SG-N 3.36Å; C124-C127 WeakPolarHBondContact CB-SG 3.38Å; C124-C127 PolarHBondContact O-N 3.36Å; C124-C127 VanDerWaalsContact SG-SG 3.65Å; C124-G128 VanDerWaalsContact O-CA 3.31Å; C124-G128 WeakPolarHBondContact O-CA 3.5Å; C124-G128 PolarHBondContact O-N 3.42Å; C124-E129 WeakPolarHBondContact CB-O 3.28Å; C124-E129 PolarHBondContact N-O 3.33Å; C124-V131 HydrophobicContact CB-CG2 3.41Å; C124-V131 VanDerWaalsContact CB-CG2 3.41Å; C124-N143 WeakPolarHBondContact CA-O 3.3Å; C124-H145 VanDerWaalsContact CB-CE1 3.5Å; C124-H145 WeakPolarHBondContact CB-CE1 3.38Å; C124-H145 WeakPolarHBondContact CB-ND1 3.41Å; C124-H145 PolarHBondContact SG-ND1 3.34Å; C124-C148 VanDerWaalsContact SG-CB 3.52Å |
| 125 | P | 86.7 | Confident | 77.5 | Confident | 49 Ų | 49 | 97 Ų | 97 | 32% | 0.318 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.8 | 178.3 | 29.3 | -35.9 | 0 | 0 | 0 | 114.4 | L123 R142 N143 W144 | L123-P125 WeakPolarHBondContact O-CD 3.42Å; P125-R142 VanDerWaalsContact CB-CZ 3.45Å; P125-N143 WeakPolarHBondContact CD-O 3.03Å; P125-W144 HydrophobicContact CB-CH2 4Å; P125-W144 HydrophobicContact CB-CZ2 4.21Å; P125-W144 HydrophobicContact CB-CZ3 4.35Å; P125-W144 HydrophobicContact CG-CD2 3.61Å; P125-W144 HydrophobicContact CG-CE3 3.76Å; P125-W144 HydrophobicContact CG-CG 4.4Å; P125-W144 HydrophobicContact CG-CH2 3.37Å; P125-W144 HydrophobicContact CG-CZ2 3.26Å; P125-W144 HydrophobicContact CG-CZ3 3.65Å |
| 126 | G | 86.2 | Confident | 78.3 | Confident | 43 Ų | 43 | 92.8 Ų | 92.8 | 44% | 0.443 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -21.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C124 | C124-G126 PolarHBondContact O-N 3.32Å; C124-G126 PolarHBondContact SG-N 3.36Å |
| 127 | C | 88.9 | Confident | 80.3 | Confident | 63 Ų | 63 | 86.7 Ų | 86.7 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.2 | -10.7 | -176.7 | 61.2 | 0 | 0 | 0 | 0 | 115.2 | C124 E129 H145 C148 | C124-C127 WeakPolarHBondContact CB-SG 3.38Å; C124-C127 PolarHBondContact O-N 3.36Å; C124-C127 VanDerWaalsContact SG-SG 3.65Å; C127-E129 PolarHBondContact O-N 3.21Å; C127-H145 PolarHBondContact SG-CE1 2.74Å; C127-H145 PolarHBondContact SG-ND1 2.98Å; C127-C148 VanDerWaalsContact SG-SG 3.65Å |
| 128 | G | 86.9 | Confident | 82.2 | Confident | 51 Ų | 51 | 83.4 Ų | 83.4 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | S | Bend | trans | 80.7 | -10 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C124 | C124-G128 VanDerWaalsContact O-CA 3.31Å; C124-G128 WeakPolarHBondContact O-CA 3.5Å; C124-G128 PolarHBondContact O-N 3.42Å |
| 129 | E | 88.7 | Confident | 83.7 | Confident | 123 Ų | 123 | 77.5 Ų | 77.5 | 58% | 0.575 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -80.5 | 151.2 | -179 | -67.1 | -66 | 154.8 | 0 | 0 | 112.2 | C124 C127 V131 | C124-E129 WeakPolarHBondContact CB-O 3.28Å; C124-E129 PolarHBondContact N-O 3.33Å; C127-E129 PolarHBondContact O-N 3.21Å; E129-V131 PolarHBondContact O-N 3.22Å |
| 130 | P | 89.9 | Confident | 85 | Confident | 30 Ų | 30 | 79.5 Ų | 79.5 | 20% | 0.195 | 44% | 0.437 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 130 | 177.4 | 27.9 | -33.7 | 0 | 0 | 0 | 111 | L123 Y132 | L123-P130 HydrophobicContact CD2-CB 4.44Å; P130-Y132 HydrophobicContact CB-CE2 4.45Å; P130-Y132 HydrophobicContact CG-CE2 4Å; P130-Y132 PolarHBondContact O-N 2.91Å |
| 131 | V | 89.5 | Confident | 85.9 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 6% | 0.055 | 43% | 0.428 | C | S | . | . | trans | -88.5 | 111.7 | 177.7 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | S122 C124 E129 K136 N143 | S122-V131 WeakPolarHBondContact O-CB 3.28Å; S122-V131 PolarHBondContact O-N 3.48Å; C124-V131 HydrophobicContact CB-CG2 3.41Å; C124-V131 VanDerWaalsContact CB-CG2 3.41Å; E129-V131 PolarHBondContact O-N 3.22Å; V131-K136 VanDerWaalsContact CG1-CA 3.41Å; V131-K136 HydrophobicContact CG1-CB 3.72Å; V131-K136 HydrophobicContact CG1-CG 4.24Å; V131-N143 HydrophobicContact CB-CB 4.31Å; V131-N143 HydrophobicContact CG2-CB 4.38Å | ||
| 132 | Y | 87.6 | Confident | 86.8 | Confident | 155 Ų | 155 | 72.9 Ų | 72.9 | 61% | 0.608 | 41% | 0.414 | S | S | * | . | trans | -81.7 | 157.8 | 174.3 | -62.2 | -78.2 | 0 | 0 | 0 | 111.8 | P130 A134 E135 K136 | P130-Y132 HydrophobicContact CB-CE2 4.45Å; P130-Y132 HydrophobicContact CG-CE2 4Å; P130-Y132 PolarHBondContact O-N 2.91Å; Y132-A134 PolarHBondContact O-N 3.46Å; Y132-A134 VanDerWaalsContact O-N 3.09Å; Y132-E135 PolarHBondContact O-N 2.89Å; Y132-K136 WeakPolarHBondContact O-CB 3.36Å; Y132-K136 PolarHBondContact O-N 2.83Å | ||
| 133 | F | 84.8 | Confident | 87.2 | Confident | 194 Ų | 194 | 72.7 Ų | 72.7 | 85% | 0.851 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -35.5 | -175.1 | -165.3 | -92.1 | 0 | 0 | 0 | 113.7 | E135 | F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 3.27Å |
| 134 | A | 84.9 | Confident | 87.3 | Confident | 103 Ų | 103 | 67.6 Ų | 67.6 | 85% | 0.851 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y132 | Y132-A134 PolarHBondContact O-N 3.46Å; Y132-A134 VanDerWaalsContact O-N 3.09Å |
| 135 | E | 82.4 | Confident | 87.4 | Confident | 112 Ų | 112 | 68.3 Ų | 68.3 | 52% | 0.523 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -2.1 | -175.6 | -60.2 | -168.6 | 139.6 | 0 | 0 | 113.1 | Y132 F133 V137 H145 | Y132-E135 PolarHBondContact O-N 2.89Å; F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 3.27Å; E135-V137 PolarHBondContact O-N 3.09Å; E135-H145 IonicContact OE2-CD2 3.46Å; E135-H145 PolarHBondContact OE2-CD2 3.48Å; E135-H145 IonicContact OE2-NE2 2.8Å |
| 136 | K | 87.3 | Confident | 87.5 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 129.2 | -173.3 | 176.4 | 170 | 152 | 151.8 | 0 | 112.5 | V131 Y132 M138 N143 | V131-K136 VanDerWaalsContact CG1-CA 3.41Å; V131-K136 HydrophobicContact CG1-CB 3.72Å; V131-K136 HydrophobicContact CG1-CG 4.24Å; Y132-K136 WeakPolarHBondContact O-CB 3.36Å; Y132-K136 PolarHBondContact O-N 2.83Å; K136-M138 HydrophobicContact CD-CG 4.5Å; K136-M138 VanDerWaalsContact CE-CG 3.4Å; K136-M138 WeakPolarHBondContact CE-SD 3.23Å; K136-M138 HydrophobicContact CG-CG 4.35Å; K136-N143 VanDerWaalsContact CD-OD1 3.23Å; K136-N143 WeakPolarHBondContact CD-OD1 3.49Å; K136-N143 WeakPolarHBondContact CE-OD1 3.49Å; K136-N143 HydrophobicContact CG-CB 4.46Å; K136-N143 WeakPolarHBondContact CG-OD1 2.83Å; K136-N143 PolarHBondContact NZ-OD1 2.82Å |
| 137 | V | 89.6 | Confident | 87.7 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 120.1 | 168.8 | -171.9 | 0 | 0 | 0 | 0 | 107.9 | E135 N143 W144 R146 L149 A160 | E135-V137 PolarHBondContact O-N 3.09Å; V137-N143 WeakPolarHBondContact O-CA 3.11Å; V137-W144 WeakPolarHBondContact CB-O 3.48Å; V137-W144 PolarHBondContact N-O 3.13Å; V137-W144 PolarHBondContact O-N 2.95Å; V137-R146 HydrophobicContact CG2-CB 4.11Å; V137-R146 HydrophobicContact CG2-CG 4.15Å; V137-L149 HydrophobicContact CG1-CD2 4.15Å; V137-A160 HydrophobicContact CG1-CB 3.6Å |
| 138 | M | 88.4 | Confident | 87.7 | Confident | 112 Ų | 112 | 74.6 Ų | 74.6 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127.2 | 174 | -67.1 | -173.1 | 67.9 | 0 | 0 | 109.8 | K136 R142 N143 | K136-M138 HydrophobicContact CD-CG 4.5Å; K136-M138 VanDerWaalsContact CE-CG 3.4Å; K136-M138 WeakPolarHBondContact CE-SD 3.23Å; K136-M138 HydrophobicContact CG-CG 4.35Å; M138-R142 WeakPolarHBondContact CA-O 3.31Å; M138-N143 WeakPolarHBondContact CG-OD1 3.43Å |
| 139 | S | 84.5 | Confident | 88 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.035 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 136.9 | 167.3 | -164.3 | 0 | 0 | 0 | 0 | 110.9 | G141 R142 G161 H163 | S139-G141 PolarHBondContact O-N 3.37Å; S139-G141 VanDerWaalsContact O-N 3.1Å; S139-R142 PolarHBondContact N-O 2.69Å; S139-R142 PolarHBondContact O-N 3.46Å; S139-G161 PolarHBondContact OG-N 2.74Å; S139-H163 WeakPolarHBondContact CB-CE1 3.43Å; S139-H163 PolarHBondContact OG-CE1 3.19Å; S139-H163 PolarHBondContact OG-NE2 3.19Å |
| 140 | L | 83.1 | Confident | 88.1 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 37.8 | 179.2 | -61.5 | 167.8 | 0 | 0 | 0 | 112.5 | R142 E165 | L140-R142 VanDerWaalsContact C-N 3.3Å; L140-R142 PolarHBondContact O-N 2.8Å; L140-E165 VanDerWaalsContact CB-OE2 3.26Å; L140-E165 WeakPolarHBondContact CB-OE2 3.46Å; L140-E165 HydrophobicContact CD1-CB 3.38Å; L140-E165 HydrophobicContact CD1-CG 4.42Å; L140-E165 VanDerWaalsContact CD1-OE2 3.28Å; L140-E165 WeakPolarHBondContact CD1-OE2 3.33Å |
| 141 | G | 84.3 | Confident | 88.2 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 72% | 0.722 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 0.1 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | S139 | S139-G141 PolarHBondContact O-N 3.37Å; S139-G141 VanDerWaalsContact O-N 3.1Å |
| 142 | R | 87 | Confident | 88.3 | Confident | 90 Ų | 90 | 74.8 Ų | 74.8 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 155.8 | -178.2 | -57.9 | 173.7 | 80.9 | -163.5 | 10.4 | 111.4 | P125 M138 S139 L140 E165 G168 | P125-R142 VanDerWaalsContact CB-CZ 3.45Å; M138-R142 WeakPolarHBondContact CA-O 3.31Å; S139-R142 PolarHBondContact N-O 2.69Å; S139-R142 PolarHBondContact O-N 3.46Å; L140-R142 VanDerWaalsContact C-N 3.3Å; L140-R142 PolarHBondContact O-N 2.8Å; R142-E165 WeakPolarHBondContact CD-OE1 3.46Å; R142-E165 IonicContact CZ-OE1 3.24Å; R142-E165 IonicContact NE-OE1 3.75Å; R142-E165 IonicContact NH1-OE1 3.91Å; R142-E165 PolarHBondContact NH1-OE1 2.67Å; R142-G168 PolarHBondContact NH1-O 3.36Å |
| 143 | N | 90.8 | Very high | 88.3 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.5 | -179.2 | -61.1 | -79.5 | 0 | 0 | 0 | 110 | S122 C124 P125 V131 K136 V137 M138 | S122-N143 VanDerWaalsContact CB-CG 3.46Å; S122-N143 WeakPolarHBondContact CB-ND2 3.39Å; S122-N143 VanDerWaalsContact OG-CB 3.3Å; S122-N143 WeakPolarHBondContact OG-CB 3.38Å; S122-N143 PolarHBondContact OG-ND2 3.43Å; C124-N143 WeakPolarHBondContact CA-O 3.3Å; P125-N143 WeakPolarHBondContact CD-O 3.03Å; V131-N143 HydrophobicContact CB-CB 4.31Å; V131-N143 HydrophobicContact CG2-CB 4.38Å; K136-N143 VanDerWaalsContact CD-OD1 3.23Å; K136-N143 WeakPolarHBondContact CD-OD1 3.49Å; K136-N143 WeakPolarHBondContact CE-OD1 3.49Å; K136-N143 HydrophobicContact CG-CB 4.46Å; K136-N143 WeakPolarHBondContact CG-OD1 2.83Å; K136-N143 PolarHBondContact NZ-OD1 2.82Å; V137-N143 WeakPolarHBondContact O-CA 3.11Å; M138-N143 WeakPolarHBondContact CG-OD1 3.43Å |
| 144 | W | 91.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.9 | -177.4 | -60 | 77.5 | 0 | 0 | 0 | 109.9 | P125 V137 L149 P170 | P125-W144 HydrophobicContact CB-CH2 4Å; P125-W144 HydrophobicContact CB-CZ2 4.21Å; P125-W144 HydrophobicContact CB-CZ3 4.35Å; P125-W144 HydrophobicContact CG-CD2 3.61Å; P125-W144 HydrophobicContact CG-CE3 3.76Å; P125-W144 HydrophobicContact CG-CG 4.4Å; P125-W144 HydrophobicContact CG-CH2 3.37Å; P125-W144 HydrophobicContact CG-CZ2 3.26Å; P125-W144 HydrophobicContact CG-CZ3 3.65Å; V137-W144 WeakPolarHBondContact CB-O 3.48Å; V137-W144 PolarHBondContact N-O 3.13Å; V137-W144 PolarHBondContact O-N 2.95Å; W144-L149 HydrophobicContact CB-CB 4.08Å; W144-L149 HydrophobicContact CB-CD1 4.24Å; W144-L149 HydrophobicContact CD2-CD1 3.61Å; W144-L149 HydrophobicContact CE3-CD1 4.04Å; W144-L149 HydrophobicContact CG-CB 4.41Å; W144-L149 HydrophobicContact CG-CD1 3.7Å; W144-P170 HydrophobicContact CH2-CB 4.47Å; W144-P170 HydrophobicContact CH2-CG 3.72Å; W144-P170 HydrophobicContact CZ2-CG 4.36Å; W144-P170 HydrophobicContact CZ3-CG 3.84Å |
| 145 | H | 92.1 | Very high | 88.7 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 143.2 | 158.8 | -53.7 | 112.2 | 0 | 0 | 0 | 109.5 | C124 C127 E135 P147 C148 L149 | C124-H145 VanDerWaalsContact CB-CE1 3.5Å; C124-H145 WeakPolarHBondContact CB-CE1 3.38Å; C124-H145 WeakPolarHBondContact CB-ND1 3.41Å; C124-H145 PolarHBondContact SG-ND1 3.34Å; C127-H145 PolarHBondContact SG-CE1 2.74Å; C127-H145 PolarHBondContact SG-ND1 2.98Å; E135-H145 IonicContact OE2-CD2 3.46Å; E135-H145 PolarHBondContact OE2-CD2 3.48Å; E135-H145 IonicContact OE2-NE2 2.8Å; H145-P147 VanDerWaalsContact C-CD 3.48Å; H145-P147 VanDerWaalsContact C-N 3.3Å; H145-P147 HydrophobicContact CB-CG 4.1Å; H145-C148 HydrophobicContact CB-CB 3.93Å; H145-C148 PolarHBondContact O-N 3.36Å; H145-L149 PolarHBondContact O-N 2.98Å |
| 146 | R | 89.6 | Confident | 89 | Confident | 175 Ų | 175 | 68.8 Ų | 68.8 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.2 | -47.5 | 171.1 | -135.8 | 78.3 | 157 | -161.9 | 8.7 | 113.3 | V137 T157 | V137-R146 HydrophobicContact CG2-CB 4.11Å; V137-R146 HydrophobicContact CG2-CG 4.15Å; R146-T157 WeakPolarHBondContact O-CG2 3.06Å |
| 147 | P | 89.2 | Confident | 89.2 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -22.8 | 177 | 29.4 | -37.7 | 0 | 0 | 0 | 114.7 | H145 | H145-P147 VanDerWaalsContact C-CD 3.48Å; H145-P147 VanDerWaalsContact C-N 3.3Å; H145-P147 HydrophobicContact CB-CG 4.1Å |
| 148 | C | 90.3 | Very high | 89.3 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -25.4 | -179.4 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | C124 C127 H145 R150 | C124-C148 VanDerWaalsContact SG-CB 3.52Å; C127-C148 VanDerWaalsContact SG-SG 3.65Å; H145-C148 HydrophobicContact CB-CB 3.93Å; H145-C148 PolarHBondContact O-N 3.36Å; C148-R150 PolarHBondContact O-N 2.87Å |
| 149 | L | 91.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | trans | -75.3 | 76.6 | 174.1 | -168.7 | 72.4 | 0 | 0 | 0 | 110.4 | V137 W144 H145 L158 P170 | V137-L149 HydrophobicContact CG1-CD2 4.15Å; W144-L149 HydrophobicContact CB-CB 4.08Å; W144-L149 HydrophobicContact CB-CD1 4.24Å; W144-L149 HydrophobicContact CD2-CD1 3.61Å; W144-L149 HydrophobicContact CE3-CD1 4.04Å; W144-L149 HydrophobicContact CG-CB 4.41Å; W144-L149 HydrophobicContact CG-CD1 3.7Å; H145-L149 PolarHBondContact O-N 2.98Å; L149-L158 HydrophobicContact CD2-CB 4.46Å; L149-L158 WeakPolarHBondContact CD2-O 3.37Å; L149-L158 HydrophobicContact CG-CB 4.2Å; L149-L158 PolarHBondContact O-N 2.96Å; L149-P170 HydrophobicContact CD1-CB 4.32Å; L149-P170 HydrophobicContact CD1-CG 4.47Å | ||
| 150 | R | 92.3 | Very high | 89.2 | Confident | 119 Ų | 119 | 71.4 Ų | 71.4 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -133.8 | 142.8 | -175.8 | 66.2 | -173.9 | 177.3 | -180 | -3 | 111 | C148 Q152 K156 | C148-R150 PolarHBondContact O-N 2.87Å; R150-Q152 PolarHBondContact O-N 3.38Å; R150-K156 CarbonylContact C-O 3.6Å; R150-K156 WeakPolarHBondContact CA-O 3.11Å |
| 151 | C | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -59.5 | 128.3 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | R153 C154 R155 K156 L158 P170 | C151-R153 VanDerWaalsContact C-N 3.26Å; C151-R153 PolarHBondContact O-N 3.4Å; C151-C154 WeakPolarHBondContact CB-SG 3.44Å; C151-C154 PolarHBondContact SG-SG 2.9Å; C151-R155 WeakPolarHBondContact O-CA 3.38Å; C151-R155 PolarHBondContact O-N 3.33Å; C151-K156 PolarHBondContact N-O 2.89Å; C151-L158 HydrophobicContact CB-CD1 4.28Å; C151-L158 HydrophobicContact CB-CD2 4.08Å; C151-L158 HydrophobicContact CB-CG 4.35Å; C151-P170 WeakPolarHBondContact CA-O 3.35Å | ||
| 152 | Q | 90.6 | Very high | 89.2 | Confident | 95 Ų | 95 | 70 Ų | 70 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -33.3 | 178.6 | -176.5 | 64.9 | -4.2 | 0 | 0 | 112.4 | R150 V169 P170 Y171 | R150-Q152 PolarHBondContact O-N 3.38Å; Q152-V169 HydrophobicContact CB-CG1 3.54Å; Q152-V169 HydrophobicContact CG-CG1 4.06Å; Q152-P170 PolarHBondContact N-O 3.33Å; Q152-Y171 HydrophobicContact CB-CE1 3.98Å |
| 153 | R | 88 | Confident | 89.3 | Confident | 103 Ų | 103 | 66 Ų | 66 | 39% | 0.389 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -56.2 | -177.6 | -167.1 | -178.4 | 74.8 | 126 | -1.6 | 113.4 | C151 C176 | C151-R153 VanDerWaalsContact C-N 3.26Å; C151-R153 PolarHBondContact O-N 3.4Å; R153-C176 HydrophobicContact CB-CB 4.29Å; R153-C176 PolarHBondContact NE-SG 3.27Å; R153-C176 PolarHBondContact NH2-SG 3.39Å |
| 154 | C | 89.7 | Confident | 89.3 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 41% | 0.405 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 1.4 | -174.3 | 67.8 | 0 | 0 | 0 | 0 | 113.9 | C151 K156 C172 C176 | C151-C154 WeakPolarHBondContact CB-SG 3.44Å; C151-C154 PolarHBondContact SG-SG 2.9Å; C154-K156 PolarHBondContact O-N 3.31Å; C154-K156 VanDerWaalsContact SG-CB 3.55Å; C154-C172 PolarHBondContact SG-SG 2.87Å; C154-C176 VanDerWaalsContact SG-SG 3.67Å |
| 155 | R | 89.1 | Confident | 89.1 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | trans | 56.9 | 5.9 | -178.6 | -57.9 | -63.3 | -168.5 | -172.2 | -0.6 | 115.5 | C151 T157 | C151-R155 WeakPolarHBondContact O-CA 3.38Å; C151-R155 PolarHBondContact O-N 3.33Å; R155-T157 PolarHBondContact O-N 2.87Å | ||
| 156 | K | 88.6 | Confident | 88.9 | Confident | 140 Ų | 140 | 69.3 Ų | 69.3 | 61% | 0.609 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 129.3 | 177 | -174.6 | 178.6 | 177.4 | -178.4 | 0 | 110.2 | R150 C151 C154 L158 | R150-K156 CarbonylContact C-O 3.6Å; R150-K156 WeakPolarHBondContact CA-O 3.11Å; C151-K156 PolarHBondContact N-O 2.89Å; C154-K156 PolarHBondContact O-N 3.31Å; C154-K156 VanDerWaalsContact SG-CB 3.55Å; K156-L158 PolarHBondContact O-N 3.4Å |
| 157 | T | 91.1 | Very high | 88.7 | Confident | 85 Ų | 85 | 67.8 Ų | 67.8 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 129.1 | 170 | -46 | 0 | 0 | 0 | 0 | 109.6 | R146 R155 | R146-T157 WeakPolarHBondContact O-CG2 3.06Å; R155-T157 PolarHBondContact O-N 2.87Å |
| 158 | L | 90.5 | Very high | 88.5 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 9% | 0.094 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 149.8 | -176 | -57.1 | 174.2 | 0 | 0 | 0 | 110 | L149 C151 K156 H163 P170 C172 | L149-L158 HydrophobicContact CD2-CB 4.46Å; L149-L158 WeakPolarHBondContact CD2-O 3.37Å; L149-L158 HydrophobicContact CG-CB 4.2Å; L149-L158 PolarHBondContact O-N 2.96Å; C151-L158 HydrophobicContact CB-CD1 4.28Å; C151-L158 HydrophobicContact CB-CD2 4.08Å; C151-L158 HydrophobicContact CB-CG 4.35Å; K156-L158 PolarHBondContact O-N 3.4Å; L158-H163 HydrophobicContact CB-CB 4.1Å; L158-H163 HydrophobicContact CD1-CB 3.51Å; L158-H163 HydrophobicContact CD2-CB 4.38Å; L158-H163 HydrophobicContact CG-CB 4.2Å; L158-P170 HydrophobicContact CD1-CB 3.81Å; L158-C172 HydrophobicContact CD2-CB 4.47Å; L158-C172 VanDerWaalsContact CD2-SG 3.56Å |
| 159 | T | 87.5 | Confident | 88.4 | Confident | 103 Ų | 103 | 65.9 Ų | 65.9 | 63% | 0.632 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 140 | 171.1 | -50.1 | 0 | 0 | 0 | 0 | 108.9 | G161 S162 H163 | T159-G161 PolarHBondContact O-N 3.47Å; T159-S162 PolarHBondContact O-N 3.41Å; T159-S162 VanDerWaalsContact O-N 3.13Å; T159-H163 PolarHBondContact O-ND1 2.75Å |
| 160 | A | 84.2 | Confident | 88.4 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 129.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | V137 S162 | V137-A160 HydrophobicContact CG1-CB 3.6Å; A160-S162 VanDerWaalsContact C-N 3.29Å; A160-S162 PolarHBondContact O-N 2.96Å |
| 161 | G | 82.9 | Confident | 88.3 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 69% | 0.691 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | -4.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | S139 T159 | S139-G161 PolarHBondContact OG-N 2.74Å; T159-G161 PolarHBondContact O-N 3.47Å |
| 162 | S | 84.5 | Confident | 88.3 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 51% | 0.51 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -122.1 | 54.1 | 176.1 | -167.3 | 0 | 0 | 0 | 0 | 111.7 | T159 A160 H173 | T159-S162 PolarHBondContact O-N 3.41Å; T159-S162 VanDerWaalsContact O-N 3.13Å; A160-S162 VanDerWaalsContact C-N 3.29Å; A160-S162 PolarHBondContact O-N 2.96Å; S162-H173 VanDerWaalsContact C-CD2 3.49Å |
| 163 | H | 88.6 | Confident | 88.2 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.028 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -153.4 | 159 | 171.3 | 56.4 | -89.1 | 0 | 0 | 0 | 111.1 | S139 L158 T159 Y171 H173 | S139-H163 WeakPolarHBondContact CB-CE1 3.43Å; S139-H163 PolarHBondContact OG-CE1 3.19Å; S139-H163 PolarHBondContact OG-NE2 3.19Å; L158-H163 HydrophobicContact CB-CB 4.1Å; L158-H163 HydrophobicContact CD1-CB 3.51Å; L158-H163 HydrophobicContact CD2-CB 4.38Å; L158-H163 HydrophobicContact CG-CB 4.2Å; T159-H163 PolarHBondContact O-ND1 2.75Å; H163-Y171 VanDerWaalsContact CB-O 3.32Å; H163-Y171 WeakPolarHBondContact CB-O 3.31Å; H163-H173 VanDerWaalsContact CA-CD2 3.46Å; H163-H173 WeakPolarHBondContact CA-CD2 3.26Å; H163-H173 VanDerWaalsContact CA-NE2 3.33Å; H163-H173 WeakPolarHBondContact CA-NE2 3.28Å; H163-H173 PolarHBondContact N-CD2 3.41Å; H163-H173 PolarHBondContact N-NE2 3.09Å; H163-H173 PolarHBondContact O-CE1 3.1Å; H163-H173 PolarHBondContact O-NE2 3.38Å |
| 164 | A | 90.1 | Very high | 88.1 | Confident | 11 Ų | 11 | 62 Ų | 62 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 147.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y171 Y177 | A164-Y171 PolarHBondContact N-O 3.14Å; A164-Y171 PolarHBondContact O-N 2.91Å; A164-Y171 VanDerWaalsContact O-O 3.11Å; A164-Y177 HydrophobicContact CB-CD1 4.16Å; A164-Y177 HydrophobicContact CB-CD2 3.28Å; A164-Y177 HydrophobicContact CB-CE2 3.73Å; A164-Y177 HydrophobicContact CB-CG 3.51Å |
| 165 | E | 88.8 | Confident | 87.9 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 23% | 0.229 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.9 | 172.4 | -178.2 | 172.8 | -177 | 0 | 0 | 108.5 | L140 R142 G168 V169 | L140-E165 VanDerWaalsContact CB-OE2 3.26Å; L140-E165 WeakPolarHBondContact CB-OE2 3.46Å; L140-E165 HydrophobicContact CD1-CB 3.38Å; L140-E165 HydrophobicContact CD1-CG 4.42Å; L140-E165 VanDerWaalsContact CD1-OE2 3.28Å; L140-E165 WeakPolarHBondContact CD1-OE2 3.33Å; R142-E165 WeakPolarHBondContact CD-OE1 3.46Å; R142-E165 IonicContact CZ-OE1 3.24Å; R142-E165 IonicContact NE-OE1 3.75Å; R142-E165 IonicContact NH1-OE1 3.91Å; R142-E165 PolarHBondContact NH1-OE1 2.67Å; E165-G168 WeakPolarHBondContact OE1-CA 3.4Å; E165-V169 WeakPolarHBondContact CA-O 3.28Å |
| 166 | H | 87.6 | Confident | 87.9 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125 | 172.1 | -165.2 | -76.3 | 0 | 0 | 0 | 107.8 | G168 V169 Y171 Y177 F181 | H166-G168 PolarHBondContact O-N 3.19Å; H166-G168 VanDerWaalsContact O-N 3.14Å; H166-V169 PolarHBondContact N-O 2.87Å; H166-V169 WeakPolarHBondContact O-CA 3.48Å; H166-V169 WeakPolarHBondContact O-CB 3.22Å; H166-V169 PolarHBondContact O-N 2.93Å; H166-Y171 HydrophobicContact CB-CD2 4.03Å; H166-Y171 HydrophobicContact CB-CE2 3.85Å; H166-Y177 HydrophobicContact CB-CE2 4.02Å; H166-F181 HydrophobicContact CB-CD2 3.95Å; H166-F181 HydrophobicContact CB-CE1 4.36Å; H166-F181 HydrophobicContact CB-CE2 3.49Å; H166-F181 VanDerWaalsContact CB-CE2 3.49Å; H166-F181 HydrophobicContact CB-CZ 3.72Å; H166-F181 AromaticContact CD2-CD1 3.34Å; H166-F181 WeakPolarHBondContact CD2-CD1 3.34Å; H166-F181 AromaticContact CD2-CD2 3.62Å; H166-F181 AromaticContact CD2-CE1 3.58Å; H166-F181 AromaticContact CD2-CE2 3.84Å; H166-F181 AromaticContact CD2-CG 3.35Å; H166-F181 WeakPolarHBondContact CD2-CG 3.19Å; H166-F181 AromaticContact CD2-CZ 3.82Å; H166-F181 AromaticContact CE1-CD1 3.58Å; H166-F181 AromaticContact CE1-CE1 3.31Å; H166-F181 WeakPolarHBondContact CE1-CE1 3.17Å; H166-F181 AromaticContact CE1-CZ 3.91Å; H166-F181 AromaticContact CG-CD1 3.79Å; H166-F181 AromaticContact CG-CD2 3.79Å; H166-F181 AromaticContact CG-CE1 3.51Å; H166-F181 AromaticContact CG-CE2 3.51Å; H166-F181 AromaticContact CG-CG 3.91Å; H166-F181 AromaticContact CG-CZ 3.36Å; H166-F181 AromaticContact ND1-CD1 3.9Å; H166-F181 AromaticContact ND1-CE1 3.33Å; H166-F181 VanDerWaalsContact ND1-CE1 3.33Å; H166-F181 WeakPolarHBondContact ND1-CE1 3.42Å; H166-F181 AromaticContact ND1-CZ 3.42Å; H166-F181 WeakPolarHBondContact ND1-CZ 3.33Å; H166-F181 AromaticContact NE2-CD1 3.19Å; H166-F181 WeakPolarHBondContact NE2-CD1 3.35Å; H166-F181 AromaticContact NE2-CE1 3.46Å; H166-F181 WeakPolarHBondContact NE2-CE1 3.17Å; H166-F181 AromaticContact NE2-CG 3.69Å |
| 167 | D | 85.9 | Confident | 88 | Confident | 144 Ų | 144 | 52.6 Ų | 52.6 | 77% | 0.77 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 38.5 | -177.4 | -57 | -45.2 | 0 | 0 | 0 | 114.8 | V169 | D167-V169 PolarHBondContact O-N 3.2Š|
| 168 | G | 83.3 | Confident | 87.8 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 1.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R142 E165 H166 | R142-G168 PolarHBondContact NH1-O 3.36Å; E165-G168 WeakPolarHBondContact OE1-CA 3.4Å; H166-G168 PolarHBondContact O-N 3.19Å; H166-G168 VanDerWaalsContact O-N 3.14Å |
| 169 | V | 88.4 | Confident | 87.5 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.3 | -177.9 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | Q152 E165 H166 D167 Y171 | Q152-V169 HydrophobicContact CB-CG1 3.54Å; Q152-V169 HydrophobicContact CG-CG1 4.06Å; E165-V169 WeakPolarHBondContact CA-O 3.28Å; H166-V169 PolarHBondContact N-O 2.87Å; H166-V169 WeakPolarHBondContact O-CA 3.48Å; H166-V169 WeakPolarHBondContact O-CB 3.22Å; H166-V169 PolarHBondContact O-N 2.93Å; D167-V169 PolarHBondContact O-N 3.2Å; V169-Y171 HydrophobicContact CB-CE2 3.76Å; V169-Y171 HydrophobicContact CG1-CD2 4.45Å; V169-Y171 HydrophobicContact CG1-CE2 3.67Å; V169-Y171 WeakPolarHBondContact O-CD2 3.49Å; V169-Y171 WeakPolarHBondContact O-CE2 3.32Å |
| 170 | P | 91.8 | Very high | 87.3 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 5% | 0.045 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 139.3 | -175.7 | 34.1 | -33.2 | 0 | 0 | 0 | 111.6 | W144 L149 C151 Q152 L158 | W144-P170 HydrophobicContact CH2-CB 4.47Å; W144-P170 HydrophobicContact CH2-CG 3.72Å; W144-P170 HydrophobicContact CZ2-CG 4.36Å; W144-P170 HydrophobicContact CZ3-CG 3.84Å; L149-P170 HydrophobicContact CD1-CB 4.32Å; L149-P170 HydrophobicContact CD1-CG 4.47Å; C151-P170 WeakPolarHBondContact CA-O 3.35Å; Q152-P170 PolarHBondContact N-O 3.33Å; L158-P170 HydrophobicContact CD1-CB 3.81Å |
| 171 | Y | 91.6 | Very high | 87.4 | Confident | 29 Ų | 29 | 54 Ų | 54 | 11% | 0.114 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.3 | -179 | -64.4 | -87.6 | 0 | 0 | 0 | 111.2 | Q152 H163 A164 H166 V169 H173 L180 F181 | Q152-Y171 HydrophobicContact CB-CE1 3.98Å; H163-Y171 VanDerWaalsContact CB-O 3.32Å; H163-Y171 WeakPolarHBondContact CB-O 3.31Å; A164-Y171 PolarHBondContact N-O 3.14Å; A164-Y171 PolarHBondContact O-N 2.91Å; A164-Y171 VanDerWaalsContact O-O 3.11Å; H166-Y171 HydrophobicContact CB-CD2 4.03Å; H166-Y171 HydrophobicContact CB-CE2 3.85Å; V169-Y171 HydrophobicContact CB-CE2 3.76Å; V169-Y171 HydrophobicContact CG1-CD2 4.45Å; V169-Y171 HydrophobicContact CG1-CE2 3.67Å; V169-Y171 WeakPolarHBondContact O-CD2 3.49Å; V169-Y171 WeakPolarHBondContact O-CE2 3.32Å; Y171-H173 PolarHBondContact O-N 2.77Å; Y171-L180 HydrophobicContact CD1-CD1 3.91Å; Y171-L180 HydrophobicContact CE1-CD1 3.47Å; Y171-L180 VanDerWaalsContact CE1-CD1 3.47Å; Y171-F181 AromaticContact CD2-CE2 3.96Å; Y171-F181 HydrophobicContact CD2-CE2 3.96Å; Y171-F181 HydrophobicContact CE1-CE2 4.34Å; Y171-F181 AromaticContact CE2-CE2 3.71Å; Y171-F181 HydrophobicContact CE2-CE2 3.71Å; Y171-F181 HydrophobicContact CE2-CZ 4.1Å; Y171-F181 HydrophobicContact CG-CE2 4.39Å; Y171-F181 AromaticContact CZ-CE2 3.91Å |
| 172 | C | 92.1 | Very high | 87.3 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 10% | 0.101 | 29% | 0.286 | C | S | . | . | trans | -63.1 | 135.7 | 168.3 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | C154 L158 V174 C176 Y177 | C154-C172 PolarHBondContact SG-SG 2.87Å; L158-C172 HydrophobicContact CD2-CB 4.47Å; L158-C172 VanDerWaalsContact CD2-SG 3.56Å; C172-V174 WeakPolarHBondContact CB-O 3.42Å; C172-V174 PolarHBondContact O-N 2.89Å; C172-C176 HydrophobicContact CB-CB 3.98Å; C172-Y177 VanDerWaalsContact O-CB 3.28Å; C172-Y177 WeakPolarHBondContact O-CB 3.33Å; C172-Y177 PolarHBondContact O-N 3.28Å | ||
| 173 | H | 88.5 | Confident | 87.1 | Confident | 95 Ų | 95 | 54.3 Ų | 54.3 | 44% | 0.44 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -50.5 | -47.6 | 171.4 | -73.3 | -71.7 | 0 | 0 | 0 | 111.7 | S162 H163 Y171 | S162-H173 VanDerWaalsContact C-CD2 3.49Å; H163-H173 VanDerWaalsContact CA-CD2 3.46Å; H163-H173 WeakPolarHBondContact CA-CD2 3.26Å; H163-H173 VanDerWaalsContact CA-NE2 3.33Å; H163-H173 WeakPolarHBondContact CA-NE2 3.28Å; H163-H173 PolarHBondContact N-CD2 3.41Å; H163-H173 PolarHBondContact N-NE2 3.09Å; H163-H173 PolarHBondContact O-CE1 3.1Å; H163-H173 PolarHBondContact O-NE2 3.38Å; Y171-H173 PolarHBondContact O-N 2.77Å |
| 174 | V | 85.5 | Confident | 85.9 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 56% | 0.558 | 34% | 0.337 | S | S | * | . | I | π-helix | trans | -132.9 | 136.6 | 175.6 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | C172 Y196 | C172-V174 WeakPolarHBondContact CB-O 3.42Å; C172-V174 PolarHBondContact O-N 2.89Å; V174-Y196 HydrophobicContact CG1-CE1 4.1Å |
| 175 | P | 86.3 | Confident | 84.4 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | I | π-helix | cis | -92.9 | 5.4 | -7.5 | 28.2 | -20.1 | 0 | 0 | 0 | 113.7 | Y179 Y196 | P175-Y179 WeakPolarHBondContact O-CB 3.21Å; P175-Y179 PolarHBondContact O-N 3.45Å; P175-Y196 HydrophobicContact CB-CD1 4.27Å; P175-Y196 HydrophobicContact CB-CE1 4.47Å |
| 176 | C | 88.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 38% | 0.38 | C | S | . | . | I | π-helix | trans | -74.1 | -47.3 | -166.4 | -57.5 | 0 | 0 | 0 | 0 | 114.3 | R153 C154 C172 L180 | R153-C176 HydrophobicContact CB-CB 4.29Å; R153-C176 PolarHBondContact NE-SG 3.27Å; R153-C176 PolarHBondContact NH2-SG 3.39Å; C154-C176 VanDerWaalsContact SG-SG 3.67Å; C172-C176 HydrophobicContact CB-CB 3.98Å; C176-L180 PolarHBondContact O-N 2.94Å |
| 177 | Y | 89.7 | Confident | 80.9 | Confident | 80 Ų | 80 | 73 Ų | 73 | 31% | 0.314 | 41% | 0.409 | S | S | . | . | I | π-helix | trans | -67.3 | -48.4 | -179.2 | -175.1 | -92.1 | 0 | 0 | 0 | 111 | A164 H166 C172 Y179 L180 F181 | A164-Y177 HydrophobicContact CB-CD1 4.16Å; A164-Y177 HydrophobicContact CB-CD2 3.28Å; A164-Y177 HydrophobicContact CB-CE2 3.73Å; A164-Y177 HydrophobicContact CB-CG 3.51Å; H166-Y177 HydrophobicContact CB-CE2 4.02Å; C172-Y177 VanDerWaalsContact O-CB 3.28Å; C172-Y177 WeakPolarHBondContact O-CB 3.33Å; C172-Y177 PolarHBondContact O-N 3.28Å; Y177-Y179 VanDerWaalsContact C-N 3.31Å; Y177-Y179 PolarHBondContact O-N 2.96Å; Y177-L180 PolarHBondContact O-N 2.91Å; Y177-F181 AromaticContact CD2-CD2 3.71Å; Y177-F181 HydrophobicContact CD2-CD2 3.71Å; Y177-F181 HydrophobicContact CD2-CE2 4.37Å; Y177-F181 HydrophobicContact CE1-CB 4.37Å; Y177-F181 HydrophobicContact CE2-CB 4.43Å; Y177-F181 AromaticContact CE2-CD2 3.87Å; Y177-F181 HydrophobicContact CE2-CD2 3.87Å; Y177-F181 HydrophobicContact CE2-CG 4.47Å; Y177-F181 HydrophobicContact CG-CD2 4.26Å; Y177-F181 PolarHBondContact O-N 2.88Å |
| 178 | G | 86.7 | Confident | 79.2 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.7 | -33.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G182 | G178-G182 WeakPolarHBondContact O-CA 3.46Å; G178-G182 PolarHBondContact O-N 3.22Å |
| 179 | Y | 84.8 | Confident | 77.5 | Confident | 121 Ų | 121 | 75.1 Ų | 75.1 | 48% | 0.475 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.9 | -35.9 | 177.1 | -178 | -93.4 | 0 | 0 | 0 | 113.3 | P175 Y177 | P175-Y179 WeakPolarHBondContact O-CB 3.21Å; P175-Y179 PolarHBondContact O-N 3.45Å; Y177-Y179 VanDerWaalsContact C-N 3.31Å; Y177-Y179 PolarHBondContact O-N 2.96Å |
| 180 | L | 84.1 | Confident | 75.7 | Confident | 63 Ų | 63 | 81.1 Ų | 81.1 | 33% | 0.33 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -90.6 | -40.3 | -175.9 | -67.4 | 171.7 | 0 | 0 | 0 | 112.6 | Y171 C176 Y177 | Y171-L180 HydrophobicContact CD1-CD1 3.91Å; Y171-L180 HydrophobicContact CE1-CD1 3.47Å; Y171-L180 VanDerWaalsContact CE1-CD1 3.47Å; C176-L180 PolarHBondContact O-N 2.94Å; Y177-L180 PolarHBondContact O-N 2.91Å |
| 181 | F | 85.9 | Confident | 73.8 | Confident | 66 Ų | 66 | 86.9 Ų | 86.9 | 29% | 0.289 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -125.9 | 5.1 | -168.5 | -47.3 | -67.4 | 0 | 0 | 0 | 113.2 | H166 Y171 Y177 | H166-F181 HydrophobicContact CB-CD2 3.95Å; H166-F181 HydrophobicContact CB-CE1 4.36Å; H166-F181 HydrophobicContact CB-CE2 3.49Å; H166-F181 VanDerWaalsContact CB-CE2 3.49Å; H166-F181 HydrophobicContact CB-CZ 3.72Å; H166-F181 AromaticContact CD2-CD1 3.34Å; H166-F181 WeakPolarHBondContact CD2-CD1 3.34Å; H166-F181 AromaticContact CD2-CD2 3.62Å; H166-F181 AromaticContact CD2-CE1 3.58Å; H166-F181 AromaticContact CD2-CE2 3.84Å; H166-F181 AromaticContact CD2-CG 3.35Å; H166-F181 WeakPolarHBondContact CD2-CG 3.19Å; H166-F181 AromaticContact CD2-CZ 3.82Å; H166-F181 AromaticContact CE1-CD1 3.58Å; H166-F181 AromaticContact CE1-CE1 3.31Å; H166-F181 WeakPolarHBondContact CE1-CE1 3.17Å; H166-F181 AromaticContact CE1-CZ 3.91Å; H166-F181 AromaticContact CG-CD1 3.79Å; H166-F181 AromaticContact CG-CD2 3.79Å; H166-F181 AromaticContact CG-CE1 3.51Å; H166-F181 AromaticContact CG-CE2 3.51Å; H166-F181 AromaticContact CG-CG 3.91Å; H166-F181 AromaticContact CG-CZ 3.36Å; H166-F181 AromaticContact ND1-CD1 3.9Å; H166-F181 AromaticContact ND1-CE1 3.33Å; H166-F181 VanDerWaalsContact ND1-CE1 3.33Å; H166-F181 WeakPolarHBondContact ND1-CE1 3.42Å; H166-F181 AromaticContact ND1-CZ 3.42Å; H166-F181 WeakPolarHBondContact ND1-CZ 3.33Å; H166-F181 AromaticContact NE2-CD1 3.19Å; H166-F181 WeakPolarHBondContact NE2-CD1 3.35Å; H166-F181 AromaticContact NE2-CE1 3.46Å; H166-F181 WeakPolarHBondContact NE2-CE1 3.17Å; H166-F181 AromaticContact NE2-CG 3.69Å; Y171-F181 AromaticContact CD2-CE2 3.96Å; Y171-F181 HydrophobicContact CD2-CE2 3.96Å; Y171-F181 HydrophobicContact CE1-CE2 4.34Å; Y171-F181 AromaticContact CE2-CE2 3.71Å; Y171-F181 HydrophobicContact CE2-CE2 3.71Å; Y171-F181 HydrophobicContact CE2-CZ 4.1Å; Y171-F181 HydrophobicContact CG-CE2 4.39Å; Y171-F181 AromaticContact CZ-CE2 3.91Å; Y177-F181 AromaticContact CD2-CD2 3.71Å; Y177-F181 HydrophobicContact CD2-CD2 3.71Å; Y177-F181 HydrophobicContact CD2-CE2 4.37Å; Y177-F181 HydrophobicContact CE1-CB 4.37Å; Y177-F181 HydrophobicContact CE2-CB 4.43Å; Y177-F181 AromaticContact CE2-CD2 3.87Å; Y177-F181 HydrophobicContact CE2-CD2 3.87Å; Y177-F181 HydrophobicContact CE2-CG 4.47Å; Y177-F181 HydrophobicContact CG-CD2 4.26Å; Y177-F181 PolarHBondContact O-N 2.88Å |
| 182 | G | 81.4 | Confident | 71.8 | Confident | 20 Ų | 20 | 89.1 Ų | 89.1 | 21% | 0.206 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -63.4 | 153.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G178 K184 | G178-G182 WeakPolarHBondContact O-CA 3.46Å; G178-G182 PolarHBondContact O-N 3.22Å; G182-K184 PolarHBondContact O-N 3.32Å |
| 183 | P | 78.5 | Confident | 69.8 | Low | 125 Ų | 125 | 92.1 Ų | 92.1 | 81% | 0.812 | 55% | 0.545 | S | S | * | . | trans | -55.4 | 116.2 | 176 | 23.5 | -32.8 | 0 | 0 | 0 | 109.2 | G185 | P183-G185 VanDerWaalsContact C-N 3.34Å; P183-G185 PolarHBondContact O-N 3.4Å | ||
| 184 | K | 65.4 | Low | 68.2 | Low | 183 Ų | 183 | 97.5 Ų | 97.5 | 80% | 0.796 | 56% | 0.563 | S | S | * | * | trans | -77.3 | 91.6 | 172.7 | -64.9 | -179.1 | -177 | 179.2 | 0 | 106.5 | G182 V186 | G182-K184 PolarHBondContact O-N 3.32Å; K184-V186 PolarHBondContact O-N 2.86Å; K184-V186 VanDerWaalsContact O-N 3.16Å | ||
| 185 | G | 57.7 | Low | 66.8 | Low | 46 Ų | 46 | 99.6 Ų | 99.6 | 47% | 0.474 | 57% | 0.569 | S | S | . | * | trans | -60.5 | 115.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P183 | P183-G185 VanDerWaalsContact C-N 3.34Å; P183-G185 PolarHBondContact O-N 3.4Å | ||
| 186 | V | 56.1 | Low | 65.3 | Low | 124 Ų | 124 | 102.2 Ų | 102.2 | 75% | 0.752 | 57% | 0.573 | S | S | * | * | trans | -73.4 | 125.4 | 148.3 | -84.5 | 0 | 0 | 0 | 0 | 106.6 | K184 I188 | K184-V186 PolarHBondContact O-N 2.86Å; K184-V186 VanDerWaalsContact O-N 3.16Å; V186-I188 HydrophobicContact CB-CD1 4.27Å; V186-I188 HydrophobicContact CG2-CD1 4.28Å; V186-I188 PolarHBondContact O-N 3.17Å | ||
| 187 | N | 46.7 | Very low | 63.8 | Low | 158 Ų | 158 | 108.4 Ų | 108.4 | 85% | 0.845 | 61% | 0.606 | S | S | * | * | trans | -64.7 | 92.2 | -177.4 | -59.9 | -68.6 | 0 | 0 | 0 | 110.6 | ||||
| 188 | I | 49.8 | Very low | 62.1 | Low | 153 Ų | 153 | 108.8 Ų | 108.8 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | trans | -127.3 | 97.9 | 157.7 | -70 | 93.9 | 0 | 0 | 0 | 106.1 | V186 | V186-I188 HydrophobicContact CB-CD1 4.27Å; V186-I188 HydrophobicContact CG2-CD1 4.28Å; V186-I188 PolarHBondContact O-N 3.17Å | ||
| 189 | G | 48.6 | Very low | 60.5 | Low | 60 Ų | 60 | 113.2 Ų | 113.2 | 62% | 0.619 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 108.7 | 130.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | V191 | G189-V191 PolarHBondContact O-N 2.81Š|
| 190 | D | 50.2 | Low | 58.7 | Low | 175 Ų | 175 | 116.5 Ų | 116.5 | 94% | 0.936 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -66 | 53.3 | -177.9 | -68.9 | -67 | 0 | 0 | 0 | 115.6 | ||
| 191 | V | 51.4 | Low | 57.3 | Low | 128 Ų | 128 | 119.9 Ų | 119.9 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -130 | 105.1 | 168.6 | -90.6 | 0 | 0 | 0 | 0 | 109.4 | G189 C193 | G189-V191 PolarHBondContact O-N 2.81Å; V191-C193 PolarHBondContact O-N 3.13Å |
| 192 | G | 49 | Very low | 55.1 | Low | 76 Ų | 76 | 125.4 Ų | 125.4 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | trans | -47 | 120.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 193 | C | 51 | Low | 53.7 | Low | 77 Ų | 77 | 133.7 Ų | 133.7 | 52% | 0.52 | 73% | 0.726 | S | S | . | * | trans | -75.9 | 128.7 | 159 | -65.4 | 0 | 0 | 0 | 0 | 107.7 | V191 I195 | V191-C193 PolarHBondContact O-N 3.13Å; C193-I195 PolarHBondContact O-N 3.05Å | ||
| 194 | Y | 53.9 | Low | 52 | Low | 209 Ų | 209 | 139.7 Ų | 139.7 | 82% | 0.82 | 74% | 0.743 | S | S | * | * | trans | -66 | 82.3 | 169.8 | -70.6 | -81.9 | 0 | 0 | 0 | 109.5 | Y196 | Y194-Y196 PolarHBondContact O-N 2.96Š| ||
| 195 | I | 56.6 | Low | 51.4 | Low | 135 Ų | 135 | 137.6 Ų | 137.6 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | -68.2 | 101.4 | 165.5 | -58.6 | -177.6 | 0 | 0 | 0 | 105.4 | C193 D197 | C193-I195 PolarHBondContact O-N 3.05Å; I195-D197 PolarHBondContact O-N 3.02Å; I195-D197 VanDerWaalsContact O-N 3.13Å | ||
| 196 | Y | 54.8 | Low | 51 | Low | 113 Ų | 113 | 142.4 Ų | 142.4 | 44% | 0.443 | 76% | 0.755 | S | S | . | * | trans | -71.2 | 105.6 | 166.7 | -79 | -92.1 | 0 | 0 | 0 | 107.2 | V174 P175 Y194 | V174-Y196 HydrophobicContact CG1-CE1 4.1Å; P175-Y196 HydrophobicContact CB-CD1 4.27Å; P175-Y196 HydrophobicContact CB-CE1 4.47Å; Y194-Y196 PolarHBondContact O-N 2.96Å | ||
| 197 | D | 58.5 | Low | 50.8 | Low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -49.4 | 135 | 170 | -76.7 | -54.9 | 0 | 0 | 0 | 109.8 | I195 V199 | I195-D197 PolarHBondContact O-N 3.02Å; I195-D197 VanDerWaalsContact O-N 3.13Å; D197-V199 VanDerWaalsContact C-N 3.33Å; D197-V199 PolarHBondContact O-N 2.74Å | ||
| 198 | P | 53.6 | Low | 51 | Low | 87 Ų | 87 | 142.5 Ų | 142.5 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | trans | -64.8 | 97.5 | 174.2 | 26.9 | -32.3 | 0 | 0 | 0 | 108.2 | K200 | P198-K200 PolarHBondContact O-N 3.28Š| ||
| 199 | V | 53 | Low | 51.1 | Low | 128 Ų | 128 | 141.9 Ų | 141.9 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -58.6 | 105.9 | 168.5 | 178.6 | 0 | 0 | 0 | 0 | 106.7 | D197 I201 | D197-V199 VanDerWaalsContact C-N 3.33Å; D197-V199 PolarHBondContact O-N 2.74Å; V199-I201 PolarHBondContact O-N 3.05Å | ||
| 200 | K | 47.3 | Very low | 51.2 | Low | 189 Ų | 189 | 147.3 Ų | 147.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -58.8 | 102 | 173.3 | -71.2 | -178.6 | -179.7 | 176.8 | 0 | 107.7 | P198 K202 | P198-K200 PolarHBondContact O-N 3.28Å; K200-K202 VanDerWaalsContact C-N 3.3Å; K200-K202 PolarHBondContact O-N 3.16Å | ||
| 201 | I | 52.9 | Low | 51.3 | Low | 135 Ų | 135 | 145.4 Ų | 145.4 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | -71.1 | 94.2 | 169.3 | -48.6 | 175.7 | 0 | 0 | 0 | 105.5 | V199 F203 | V199-I201 PolarHBondContact O-N 3.05Å; I201-F203 HydrophobicContact CG2-CD2 4.49Å; I201-F203 HydrophobicContact CG2-CE2 4.3Å; I201-F203 PolarHBondContact O-N 2.83Å | ||
| 202 | K | 40.8 | Very low | 51.3 | Low | 181 Ų | 181 | 146.7 Ų | 146.7 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | trans | -68.2 | 110.2 | 167.5 | -76.4 | -173.5 | 174.1 | -177.6 | 0 | 107.1 | K200 Q204 | K200-K202 VanDerWaalsContact C-N 3.3Å; K200-K202 PolarHBondContact O-N 3.16Å; K202-Q204 PolarHBondContact O-N 2.87Å | ||
| 203 | F | 51 | Low | 51.5 | Low | 195 Ų | 195 | 152.6 Ų | 152.6 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | trans | -73.8 | 109.6 | 159.2 | -79.7 | -90.2 | 0 | 0 | 0 | 106.9 | I201 | I201-F203 HydrophobicContact CG2-CD2 4.49Å; I201-F203 HydrophobicContact CG2-CE2 4.3Å; I201-F203 PolarHBondContact O-N 2.83Å | ||
| 204 | Q | 44.6 | Very low | 51.5 | Low | 251 Ų | 251 | 159.5 Ų | 159.5 | 100% | 1.173 | 76% | 0.757 | S | S | * | * | trans | -138.8 | 0 | 163.1 | -168.6 | 139.6 | 15.5 | 0 | 0 | 108.9 | K202 | K202-Q204 PolarHBondContact O-N 2.87Š|
Retrieved 204 of 204 residues in 41.3 ms
(Link to these results)