| 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 | 35.3 | Very low | 72.7 | Confident | 241 Ų | 241 | 123.7 Ų | 123.7 | 100% | 1.187 | 60% | 0.595 | S | S | * | * | 0 | 108.4 | 0 | -63 | 177 | 89.8 | 0 | 0 | 108 | R3 | M1-R3 PolarHBondContact O-N 3.05Š| |||
| 2 | S | 44.5 | Very low | 74.2 | Confident | 125 Ų | 125 | 123.8 Ų | 123.8 | 87% | 0.874 | 59% | 0.591 | S | S | * | * | trans | -77.5 | 105.6 | 177.9 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | S4 | S2-S4 PolarHBondContact O-N 2.7Š| ||
| 3 | R | 49.3 | Very low | 75.5 | Confident | 234 Ų | 234 | 128.7 Ų | 128.7 | 88% | 0.883 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 120.1 | 167.3 | -78.1 | -177.7 | 176.1 | -179.4 | -1.3 | 106.3 | M1 R5 | M1-R3 PolarHBondContact O-N 3.05Å; R3-R5 PolarHBondContact O-N 2.95Å |
| 4 | S | 58.9 | Low | 76.6 | Confident | 114 Ų | 114 | 124.6 Ų | 124.6 | 80% | 0.797 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 119 | 169.7 | 63.7 | 0 | 0 | 0 | 0 | 107 | S2 H6 | S2-S4 PolarHBondContact O-N 2.7Å; S4-H6 PolarHBondContact O-N 2.84Å; S4-H6 VanDerWaalsContact O-N 3.13Å |
| 5 | R | 68.8 | Low | 77.5 | Confident | 224 Ų | 224 | 121.5 Ų | 121.5 | 85% | 0.845 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 124.7 | -180 | -63.8 | -175.8 | -160.6 | -170.9 | 5.5 | 107 | R3 L7 | R3-R5 PolarHBondContact O-N 2.95Å; R5-L7 PolarHBondContact O-N 3.03Å |
| 6 | H | 83.9 | Confident | 78.2 | Confident | 122 Ų | 122 | 117.8 Ų | 117.8 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 130.6 | 169 | -176.9 | 69.3 | 0 | 0 | 0 | 107.3 | S4 E57 | S4-H6 PolarHBondContact O-N 2.84Å; S4-H6 VanDerWaalsContact O-N 3.13Å; H6-E57 PolarHBondContact CD2-O 3.47Å; H6-E57 VanDerWaalsContact CD2-O 3.24Å; H6-E57 IonicContact NE2-OE2 3.4Å |
| 7 | L | 90.1 | Very high | 78.8 | Confident | 89 Ų | 89 | 117.4 Ų | 117.4 | 47% | 0.466 | 56% | 0.561 | S | S | . | * | trans | -118.1 | 118.8 | -174.8 | -89.3 | 154.5 | 0 | 0 | 0 | 107.3 | R5 R11 | R5-L7 PolarHBondContact O-N 3.03Å; L7-R11 HydrophobicContact CD2-CB 4.28Å; L7-R11 VanDerWaalsContact CD2-CD 3.46Å; L7-R11 HydrophobicContact CD2-CG 3.63Å | ||
| 8 | G | 90.6 | Very high | 79.4 | Confident | 1 Ų | 1 | 117.9 Ų | 117.9 | 1% | 0.01 | 56% | 0.561 | C | S | . | * | trans | -58.4 | 154.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I10 R11 K12 E57 G58 E59 | G8-I10 VanDerWaalsContact C-N 3.33Å; G8-I10 PolarHBondContact O-N 3.06Å; G8-R11 PolarHBondContact O-N 3.42Å; G8-K12 WeakPolarHBondContact O-CB 3.43Å; G8-K12 PolarHBondContact O-N 3.26Å; G8-E57 PolarHBondContact N-O 2.94Å; G8-G58 PolarHBondContact N-O 3.01Å; G8-E59 VanDerWaalsContact C-OE2 3.26Å; G8-E59 WeakPolarHBondContact CA-OE2 3.37Å | ||
| 9 | K | 92.1 | Very high | 79.9 | Confident | 60 Ų | 60 | 114.4 Ų | 114.4 | 26% | 0.261 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | -174.7 | -176.9 | 175.5 | 175.7 | 171.7 | 0 | 112 | R13 D28 S30 N32 E59 | K9-R13 PolarHBondContact O-N 2.93Å; K9-D28 WeakPolarHBondContact CE-OD2 3.37Å; K9-D28 IonicContact NZ-OD1 2.86Å; K9-D28 PolarHBondContact NZ-OD1 2.87Å; K9-D28 IonicContact NZ-OD2 2.75Å; K9-D28 PolarHBondContact NZ-OD2 3.08Å; K9-S30 PolarHBondContact NZ-O 2.88Å; K9-S30 PolarHBondContact NZ-OG 3.46Å; K9-N32 HydrophobicContact CD-CB 4.34Å; K9-E59 PolarHBondContact N-OE2 2.83Å |
| 10 | I | 93.1 | Very high | 79.7 | Confident | 63 Ų | 63 | 117.7 Ų | 117.7 | 32% | 0.323 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.8 | -43.6 | -179 | -55.3 | 163.3 | 0 | 0 | 0 | 109.7 | G8 K12 R13 L14 N32 E59 V60 F62 | G8-I10 VanDerWaalsContact C-N 3.33Å; G8-I10 PolarHBondContact O-N 3.06Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.27Å; I10-R13 PolarHBondContact O-N 3.27Å; I10-L14 WeakPolarHBondContact O-CB 3.3Å; I10-L14 PolarHBondContact O-N 3.38Å; I10-N32 WeakPolarHBondContact CD1-ND2 3.4Å; I10-N32 WeakPolarHBondContact CG1-ND2 3.18Å; I10-E59 WeakPolarHBondContact CA-OE1 3.43Å; I10-E59 VanDerWaalsContact CB-OE1 3.26Å; I10-E59 WeakPolarHBondContact CB-OE1 3.43Å; I10-E59 PolarHBondContact N-OE1 3.23Å; I10-E59 VanDerWaalsContact N-OE1 3.12Å; I10-E59 PolarHBondContact N-OE2 3.36Å; I10-E59 VanDerWaalsContact N-OE2 3.15Å; I10-V60 HydrophobicContact CB-CG2 3.76Å; I10-V60 HydrophobicContact CG2-CG2 3.38Å; I10-F62 HydrophobicContact CD1-CB 3.98Å; I10-F62 HydrophobicContact CD1-CD1 4.32Å; I10-F62 HydrophobicContact CD1-CG 4.17Å |
| 11 | R | 93 | Very high | 79.6 | Confident | 88 Ų | 88 | 123.4 Ų | 123.4 | 33% | 0.332 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -56.9 | -47.1 | 175.3 | -173.3 | 171.5 | -67.4 | -91.3 | 1.4 | 111.8 | L7 G8 R13 L14 E15 G58 E59 V60 | L7-R11 HydrophobicContact CD2-CB 4.28Å; L7-R11 VanDerWaalsContact CD2-CD 3.46Å; L7-R11 HydrophobicContact CD2-CG 3.63Å; G8-R11 PolarHBondContact O-N 3.42Å; R11-R13 PolarHBondContact O-N 3.11Å; R11-L14 WeakPolarHBondContact O-CB 3.32Å; R11-L14 PolarHBondContact O-N 3.3Å; R11-E15 WeakPolarHBondContact O-CG 3.42Å; R11-E15 PolarHBondContact O-N 2.89Å; R11-G58 WeakPolarHBondContact CB-O 3.39Å; R11-G58 WeakPolarHBondContact CD-O 3.42Å; R11-G58 PolarHBondContact NE-O 2.92Å; R11-G58 VanDerWaalsContact NE-O 3.09Å; R11-E59 PolarHBondContact N-OE1 3.26Å; R11-E59 PolarHBondContact NE-O 2.56Å; R11-E59 PolarHBondContact NH2-O 3.26Å; R11-V60 HydrophobicContact CB-CG1 3.91Å; R11-V60 HydrophobicContact CG-CG1 4.17Å |
| 12 | K | 91.1 | Very high | 81.6 | Confident | 125 Ų | 125 | 115 Ų | 115 | 54% | 0.543 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.6 | -50.7 | 177.8 | -176.9 | -179.8 | 177.4 | -177.5 | 0 | 111.2 | G8 I10 L14 E15 D16 | G8-K12 WeakPolarHBondContact O-CB 3.43Å; G8-K12 PolarHBondContact O-N 3.26Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.27Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.32Å; K12-E15 PolarHBondContact O-N 3.16Å; K12-D16 PolarHBondContact O-N 3.21Å |
| 13 | R | 90.4 | Very high | 83 | Confident | 187 Ų | 187 | 119.7 Ų | 119.7 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.7 | -38.8 | 177.1 | -177.9 | -179.5 | 167.8 | -165.2 | -4.4 | 111.9 | K9 I10 R11 D16 V17 | K9-R13 PolarHBondContact O-N 2.93Å; I10-R13 PolarHBondContact O-N 3.27Å; R11-R13 PolarHBondContact O-N 3.11Å; R13-D16 PolarHBondContact O-N 3.36Å; R13-V17 VanDerWaalsContact O-CG2 3.27Å; R13-V17 WeakPolarHBondContact O-CG2 3.5Å; R13-V17 PolarHBondContact O-N 2.93Å |
| 14 | L | 90.9 | Very high | 84 | Confident | 72 Ų | 72 | 114.8 Ų | 114.8 | 38% | 0.377 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 178.3 | 179.9 | 62.3 | 0 | 0 | 0 | 112.1 | I10 R11 K12 V17 K18 V60 | I10-L14 WeakPolarHBondContact O-CB 3.3Å; I10-L14 PolarHBondContact O-N 3.38Å; R11-L14 WeakPolarHBondContact O-CB 3.32Å; R11-L14 PolarHBondContact O-N 3.3Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.32Å; L14-V17 PolarHBondContact O-N 3.25Å; L14-K18 WeakPolarHBondContact O-CG 3.36Å; L14-K18 PolarHBondContact O-N 2.88Å; L14-K18 VanDerWaalsContact O-N 3.08Å; L14-V60 HydrophobicContact CD2-CG1 4.11Å |
| 15 | E | 90.5 | Very high | 84.7 | Confident | 78 Ų | 78 | 113.3 Ų | 113.3 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 177.1 | -65.8 | -53.8 | 128.8 | 0 | 0 | 112.3 | R11 K12 V17 K18 S19 | R11-E15 WeakPolarHBondContact O-CG 3.42Å; R11-E15 PolarHBondContact O-N 2.89Å; K12-E15 PolarHBondContact O-N 3.16Å; E15-V17 PolarHBondContact O-N 2.48Å; E15-K18 PolarHBondContact O-N 3.46Å; E15-K18 IonicContact OE1-NZ 3.41Å; E15-K18 PolarHBondContact OE1-NZ 2.92Å; E15-S19 PolarHBondContact O-N 3.41Å; E15-S19 PolarHBondContact O-OG 3.2Å |
| 16 | D | 89.1 | Confident | 85.3 | Confident | 61 Ų | 61 | 111.1 Ų | 111.1 | 33% | 0.326 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 173.2 | -69.3 | -20 | 0 | 0 | 0 | 111.2 | K12 R13 S19 V22 | K12-D16 PolarHBondContact O-N 3.21Å; R13-D16 PolarHBondContact O-N 3.36Å; D16-S19 PolarHBondContact O-N 3.06Å; D16-V22 HydrophobicContact CB-CG1 4Å |
| 17 | V | 88.4 | Confident | 85.3 | Confident | 112 Ų | 112 | 108.8 Ų | 108.8 | 68% | 0.679 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.3 | -34.9 | 178.6 | 169.7 | 0 | 0 | 0 | 0 | 112.6 | R13 L14 E15 S19 | R13-V17 VanDerWaalsContact O-CG2 3.27Å; R13-V17 WeakPolarHBondContact O-CG2 3.5Å; R13-V17 PolarHBondContact O-N 2.93Å; L14-V17 PolarHBondContact O-N 3.25Å; E15-V17 PolarHBondContact O-N 2.48Å; V17-S19 PolarHBondContact O-N 3.45Å |
| 18 | K | 89.6 | Confident | 85 | Confident | 127 Ų | 127 | 109.1 Ų | 109.1 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69 | -23.8 | 175.3 | -72.3 | 171.7 | -175.8 | 168.8 | 0 | 112.4 | L14 E15 Q20 | L14-K18 WeakPolarHBondContact O-CG 3.36Å; L14-K18 PolarHBondContact O-N 2.88Å; L14-K18 VanDerWaalsContact O-N 3.08Å; E15-K18 PolarHBondContact O-N 3.46Å; E15-K18 IonicContact OE1-NZ 3.41Å; E15-K18 PolarHBondContact OE1-NZ 2.92Å; K18-Q20 PolarHBondContact O-N 3.5Å |
| 19 | S | 87.8 | Confident | 84.8 | Confident | 51 Ų | 51 | 117.3 Ų | 117.3 | 36% | 0.357 | 57% | 0.566 | S | S | . | * | trans | -84.2 | 109 | -176.2 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | E15 D16 V17 W21 V22 | E15-S19 PolarHBondContact O-N 3.41Å; E15-S19 PolarHBondContact O-OG 3.2Å; D16-S19 PolarHBondContact O-N 3.06Å; V17-S19 PolarHBondContact O-N 3.45Å; S19-W21 PolarHBondContact O-N 3.49Å; S19-V22 VanDerWaalsContact CB-CG2 3.48Å; S19-V22 PolarHBondContact O-N 3.28Å | ||
| 20 | Q | 77.4 | Confident | 84.5 | Confident | 179 Ų | 179 | 117.9 Ų | 117.9 | 84% | 0.836 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -19.7 | 179.2 | -68.8 | 178.7 | 2.6 | 0 | 0 | 114.1 | K18 | K18-Q20 PolarHBondContact O-N 3.5Š|
| 21 | W | 77 | Confident | 84.2 | Confident | 238 Ų | 238 | 121.5 Ų | 121.5 | 90% | 0.902 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -3.6 | -173.5 | -54.1 | 100.3 | 0 | 0 | 0 | 113.7 | S19 | S19-W21 PolarHBondContact O-N 3.49Š|
| 22 | V | 76.6 | Confident | 84.2 | Confident | 64 Ų | 64 | 119.1 Ų | 119.1 | 39% | 0.388 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -93.3 | 124.6 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 109 | D16 S19 | D16-V22 HydrophobicContact CB-CG1 4Å; S19-V22 VanDerWaalsContact CB-CG2 3.48Å; S19-V22 PolarHBondContact O-N 3.28Å |
| 23 | R | 75.1 | Confident | 84.2 | Confident | 224 Ų | 224 | 117.5 Ų | 117.5 | 85% | 0.845 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 135.6 | 173.1 | -72.6 | -174.8 | 178.4 | 179 | 0.1 | 109.2 | A25 | R23-A25 PolarHBondContact O-N 3Å; R23-A25 VanDerWaalsContact O-N 3.13Å |
| 24 | P | 70.4 | Confident | 84.3 | Confident | 131 Ų | 131 | 109 Ų | 109 | 85% | 0.851 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 122 | 175.9 | -24.3 | 32.9 | 0 | 0 | 0 | 110.6 | ||
| 25 | A | 73.1 | Confident | 84.5 | Confident | 83 Ų | 83 | 106.2 Ų | 106.2 | 69% | 0.686 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 155.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | R23 | R23-A25 PolarHBondContact O-N 3Å; R23-A25 VanDerWaalsContact O-N 3.13Å |
| 26 | R | 80.8 | Confident | 84.6 | Confident | 179 Ų | 179 | 105.7 Ų | 105.7 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 144.7 | 167.5 | -80.9 | -171.7 | 177.8 | 178.9 | 1.7 | 109.4 | D28 | R26-D28 PolarHBondContact O-N 3.35Å; R26-D28 VanDerWaalsContact O-N 3.16Å |
| 27 | A | 83.6 | Confident | 84.9 | Confident | 72 Ų | 72 | 104.7 Ų | 104.7 | 60% | 0.595 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 121.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F29 | A27-F29 HydrophobicContact CB-CE1 4.18Å; A27-F29 HydrophobicContact CB-CE2 3.76Å; A27-F29 HydrophobicContact CB-CZ 3.55Å |
| 28 | D | 83.9 | Confident | 85.3 | Confident | 97 Ų | 97 | 99.3 Ų | 99.3 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | trans | -97.6 | 113.6 | 175.5 | 177.1 | 4.2 | 0 | 0 | 0 | 108.8 | K9 R26 S30 | K9-D28 WeakPolarHBondContact CE-OD2 3.37Å; K9-D28 IonicContact NZ-OD1 2.86Å; K9-D28 PolarHBondContact NZ-OD1 2.87Å; K9-D28 IonicContact NZ-OD2 2.75Å; K9-D28 PolarHBondContact NZ-OD2 3.08Å; R26-D28 PolarHBondContact O-N 3.35Å; R26-D28 VanDerWaalsContact O-N 3.16Å; D28-S30 VanDerWaalsContact CG-OG 3.31Å; D28-S30 VanDerWaalsContact OD1-CB 3.3Å; D28-S30 WeakPolarHBondContact OD1-CB 3.41Å; D28-S30 PolarHBondContact OD1-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 PolarHBondContact OD2-OG 3.4Å | ||
| 29 | F | 86.3 | Confident | 85.6 | Confident | 173 Ų | 173 | 94 Ų | 94 | 76% | 0.759 | 48% | 0.477 | S | S | * | . | trans | -99.5 | 7.4 | -179.7 | -57.6 | -71.6 | 0 | 0 | 0 | 113.4 | A27 | A27-F29 HydrophobicContact CB-CE1 4.18Å; A27-F29 HydrophobicContact CB-CE2 3.76Å; A27-F29 HydrophobicContact CB-CZ 3.55Å | ||
| 30 | S | 87.4 | Confident | 85.9 | Confident | 72 Ų | 72 | 91.9 Ų | 91.9 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -68.3 | 159.9 | 176 | 61.9 | 0 | 0 | 0 | 0 | 112.2 | K9 D28 | K9-S30 PolarHBondContact NZ-O 2.88Å; K9-S30 PolarHBondContact NZ-OG 3.46Å; D28-S30 VanDerWaalsContact CG-OG 3.31Å; D28-S30 VanDerWaalsContact OD1-CB 3.3Å; D28-S30 WeakPolarHBondContact OD1-CB 3.41Å; D28-S30 PolarHBondContact OD1-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 PolarHBondContact OD2-OG 3.4Å |
| 31 | D | 86.4 | Confident | 86.8 | Confident | 138 Ų | 138 | 84.1 Ų | 84.1 | 74% | 0.738 | 43% | 0.427 | S | S | * | . | trans | -61 | 152.3 | -179.5 | -64.2 | -42.8 | 0 | 0 | 0 | 112.5 | ||||
| 32 | N | 91.8 | Very high | 87.7 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 20% | 0.203 | 39% | 0.385 | C | S | . | . | trans | -108.4 | 99.4 | 178.1 | -169.2 | 9.9 | 0 | 0 | 0 | 111.2 | K9 I10 S34 A35 R36 E59 | K9-N32 HydrophobicContact CD-CB 4.34Å; I10-N32 WeakPolarHBondContact CD1-ND2 3.4Å; I10-N32 WeakPolarHBondContact CG1-ND2 3.18Å; N32-S34 PolarHBondContact ND2-OG 2.96Å; N32-S34 PolarHBondContact O-N 3.14Å; N32-S34 PolarHBondContact OD1-N 2.89Å; N32-S34 PolarHBondContact OD1-OG 3.21Å; N32-A35 HydrophobicContact CB-CB 3.93Å; N32-A35 PolarHBondContact O-N 3.31Å; N32-R36 PolarHBondContact O-N 3.3Å; N32-E59 PolarHBondContact ND2-OE2 3.16Å | ||
| 33 | E | 91.8 | Very high | 88.5 | Confident | 91 Ų | 91 | 70 Ų | 70 | 43% | 0.425 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | -177.4 | -177.8 | 60.4 | -170.1 | 0 | 0 | 112.7 | A35 R36 L37 K231 | E33-A35 VanDerWaalsContact C-N 3.32Å; E33-A35 PolarHBondContact O-N 3.2Å; E33-R36 VanDerWaalsContact CD-NH2 3.32Å; E33-R36 WeakPolarHBondContact O-CB 3.4Å; E33-R36 PolarHBondContact O-N 3.34Å; E33-R36 IonicContact OE1-CZ 3.96Å; E33-R36 IonicContact OE1-NE 3.17Å; E33-R36 PolarHBondContact OE1-NE 3.12Å; E33-R36 IonicContact OE1-NH2 3.37Å; E33-R36 PolarHBondContact OE1-NH2 3.27Å; E33-R36 IonicContact OE2-CZ 3.41Å; E33-R36 IonicContact OE2-NE 3.4Å; E33-R36 PolarHBondContact OE2-NE 3.01Å; E33-R36 IonicContact OE2-NH2 2.64Å; E33-R36 PolarHBondContact OE2-NH2 3.27Å; E33-L37 HydrophobicContact CG-CD1 4.32Å; E33-L37 HydrophobicContact CG-CG 4.46Å; E33-L37 WeakPolarHBondContact O-CG 3.34Å; E33-L37 PolarHBondContact O-N 3.09Å; E33-K231 IonicContact OE1-NZ 3.97Å |
| 34 | S | 93.5 | Very high | 89.2 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 177.1 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | N32 L37 A38 E59 | N32-S34 PolarHBondContact ND2-OG 2.96Å; N32-S34 PolarHBondContact O-N 3.14Å; N32-S34 PolarHBondContact OD1-N 2.89Å; N32-S34 PolarHBondContact OD1-OG 3.21Å; S34-L37 PolarHBondContact O-N 3.37Å; S34-A38 WeakPolarHBondContact O-CB 3.46Å; S34-A38 PolarHBondContact O-N 3.02Å; S34-E59 PolarHBondContact OG-OE2 3.05Å |
| 35 | A | 93.9 | Very high | 90.2 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 12% | 0.116 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N32 E33 A38 T39 F62 | N32-A35 HydrophobicContact CB-CB 3.93Å; N32-A35 PolarHBondContact O-N 3.31Å; E33-A35 VanDerWaalsContact C-N 3.32Å; E33-A35 PolarHBondContact O-N 3.2Å; A35-A38 PolarHBondContact O-N 3.2Å; A35-T39 WeakPolarHBondContact O-CB 3.41Å; A35-T39 PolarHBondContact O-N 2.94Å; A35-T39 PolarHBondContact O-OG1 3.2Å; A35-F62 HydrophobicContact CB-CD1 4.31Å; A35-F62 HydrophobicContact CB-CE1 3.69Å; A35-F62 HydrophobicContact CB-CE2 4.06Å; A35-F62 HydrophobicContact CB-CZ 3.56Å; A35-F62 WeakPolarHBondContact O-CZ 3.44Å |
| 36 | R | 93.7 | Very high | 91.1 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.6 | -51 | 174.3 | -172 | -177.1 | 75.1 | 113.2 | -11.8 | 111.6 | N32 E33 A38 T39 D40 K231 | N32-R36 PolarHBondContact O-N 3.3Å; E33-R36 VanDerWaalsContact CD-NH2 3.32Å; E33-R36 WeakPolarHBondContact O-CB 3.4Å; E33-R36 PolarHBondContact O-N 3.34Å; E33-R36 IonicContact OE1-CZ 3.96Å; E33-R36 IonicContact OE1-NE 3.17Å; E33-R36 PolarHBondContact OE1-NE 3.12Å; E33-R36 IonicContact OE1-NH2 3.37Å; E33-R36 PolarHBondContact OE1-NH2 3.27Å; E33-R36 IonicContact OE2-CZ 3.41Å; E33-R36 IonicContact OE2-NE 3.4Å; E33-R36 PolarHBondContact OE2-NE 3.01Å; E33-R36 IonicContact OE2-NH2 2.64Å; E33-R36 PolarHBondContact OE2-NH2 3.27Å; R36-A38 VanDerWaalsContact C-N 3.29Å; R36-A38 PolarHBondContact O-N 2.84Å; R36-T39 PolarHBondContact O-N 2.89Å; R36-T39 VanDerWaalsContact O-N 3.08Å; R36-D40 PolarHBondContact O-N 2.84Å; R36-K231 VanDerWaalsContact CZ-CE 3.49Å; R36-K231 VanDerWaalsContact NH1-CE 3.29Å; R36-K231 VanDerWaalsContact NH2-CE 3.28Å |
| 37 | L | 94.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 177.7 | -68.5 | 174.4 | 0 | 0 | 0 | 112.3 | E33 S34 A41 V53 E57 | E33-L37 HydrophobicContact CG-CD1 4.32Å; E33-L37 HydrophobicContact CG-CG 4.46Å; E33-L37 WeakPolarHBondContact O-CG 3.34Å; E33-L37 PolarHBondContact O-N 3.09Å; S34-L37 PolarHBondContact O-N 3.37Å; L37-A41 WeakPolarHBondContact O-CB 3.32Å; L37-A41 PolarHBondContact O-N 2.64Å; L37-V53 HydrophobicContact CB-CG1 3.87Å; L37-E57 HydrophobicContact CD1-CG 4.19Å |
| 38 | A | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S34 A35 R36 A41 L42 Y50 V53 L54 F62 | S34-A38 WeakPolarHBondContact O-CB 3.46Å; S34-A38 PolarHBondContact O-N 3.02Å; A35-A38 PolarHBondContact O-N 3.2Å; R36-A38 VanDerWaalsContact C-N 3.29Å; R36-A38 PolarHBondContact O-N 2.84Å; A38-A41 PolarHBondContact O-N 3.17Å; A38-L42 PolarHBondContact O-N 2.87Å; A38-Y50 HydrophobicContact CB-CD2 3.75Å; A38-Y50 HydrophobicContact CB-CE2 3.79Å; A38-Y50 WeakPolarHBondContact O-CD2 3.34Å; A38-V53 HydrophobicContact CB-CG1 4.21Å; A38-L54 HydrophobicContact CB-CD2 3.72Å; A38-L54 HydrophobicContact CB-CG 4.24Å; A38-F62 HydrophobicContact CB-CE1 4Å; A38-F62 HydrophobicContact CB-CZ 4.34Å |
| 39 | T | 95.3 | Very high | 93 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 178.7 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | A35 R36 A41 L42 L43 Y228 | A35-T39 WeakPolarHBondContact O-CB 3.41Å; A35-T39 PolarHBondContact O-N 2.94Å; A35-T39 PolarHBondContact O-OG1 3.2Å; R36-T39 PolarHBondContact O-N 2.89Å; R36-T39 VanDerWaalsContact O-N 3.08Å; T39-A41 VanDerWaalsContact C-N 3.34Å; T39-A41 PolarHBondContact O-N 3.4Å; T39-L42 WeakPolarHBondContact O-CB 3.25Å; T39-L42 PolarHBondContact O-N 3.4Å; T39-L43 PolarHBondContact O-N 2.74Å; T39-Y228 HydrophobicContact CG2-CE1 3.99Å; T39-Y228 HydrophobicContact CG2-CE2 4.25Å |
| 40 | D | 95.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.9 | -49.7 | 171 | -74.3 | -18 | 0 | 0 | 0 | 110.2 | R36 L42 L43 D44 Y228 A230 K231 | R36-D40 PolarHBondContact O-N 2.84Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 2.83Å; D40-L43 PolarHBondContact O-N 3.25Å; D40-D44 WeakPolarHBondContact O-CB 3.43Å; D40-D44 PolarHBondContact O-N 3.08Å; D40-Y228 PolarHBondContact OD1-OH 3.17Å; D40-A230 HydrophobicContact CB-CB 4.48Å; D40-A230 VanDerWaalsContact OD1-CA 3.27Å; D40-A230 WeakPolarHBondContact OD1-CA 3.44Å; D40-K231 WeakPolarHBondContact OD2-CE 3.32Å; D40-K231 WeakPolarHBondContact OD2-CG 3.49Å |
| 41 | A | 95.4 | Very high | 94 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -34.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L37 A38 T39 D44 G45 G46 A49 V53 | L37-A41 WeakPolarHBondContact O-CB 3.32Å; L37-A41 PolarHBondContact O-N 2.64Å; A38-A41 PolarHBondContact O-N 3.17Å; T39-A41 VanDerWaalsContact C-N 3.34Å; T39-A41 PolarHBondContact O-N 3.4Å; A41-D44 PolarHBondContact O-N 2.94Å; A41-G45 PolarHBondContact O-N 3.36Å; A41-G46 PolarHBondContact O-N 2.76Å; A41-A49 HydrophobicContact CB-CB 4.19Å; A41-A49 WeakPolarHBondContact O-CB 3.44Å; A41-V53 HydrophobicContact CB-CB 4.18Å; A41-V53 HydrophobicContact CB-CG2 3.56Å |
| 42 | L | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.6 | -177.7 | 66.7 | 0 | 0 | 0 | 111.5 | A38 T39 D40 D44 G46 Y50 L63 A68 I71 Q72 | A38-L42 PolarHBondContact O-N 2.87Å; T39-L42 WeakPolarHBondContact O-CB 3.25Å; T39-L42 PolarHBondContact O-N 3.4Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 2.83Å; L42-D44 VanDerWaalsContact C-N 3.34Å; L42-G46 WeakPolarHBondContact O-CA 3.49Å; L42-G46 PolarHBondContact O-N 3.42Å; L42-G46 VanDerWaalsContact O-N 3.08Å; L42-Y50 HydrophobicContact CB-CD2 4.16Å; L42-Y50 HydrophobicContact CB-CG 4.36Å; L42-Y50 HydrophobicContact CD1-CG 4.25Å; L42-L63 HydrophobicContact CD2-CD1 3.52Å; L42-A68 HydrophobicContact CD2-CB 4.06Å; L42-I71 HydrophobicContact CD2-CB 4.22Å; L42-I71 HydrophobicContact CD2-CD1 4.06Å; L42-I71 HydrophobicContact CD2-CG2 4.01Å; L42-I71 HydrophobicContact CG-CG2 4.45Å; L42-Q72 HydrophobicContact CD1-CG 4.42Å; L42-Q72 HydrophobicContact CG-CG 4.46Å |
| 43 | L | 93.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | 178 | -80 | 167.5 | 0 | 0 | 0 | 112.1 | T39 D40 I71 A75 Y228 A230 R234 F236 | T39-L43 PolarHBondContact O-N 2.74Å; D40-L43 PolarHBondContact O-N 3.25Å; L43-I71 HydrophobicContact CD1-CG2 4.46Å; L43-I71 HydrophobicContact CD2-CG2 3.35Å; L43-I71 HydrophobicContact CG-CG2 3.63Å; L43-A75 HydrophobicContact CD2-CB 3.92Å; L43-Y228 HydrophobicContact CD1-CD1 3.47Å; L43-Y228 VanDerWaalsContact CD1-CD1 3.47Å; L43-Y228 HydrophobicContact CD1-CE1 3.51Å; L43-A230 HydrophobicContact CB-CB 4.24Å; L43-A230 HydrophobicContact CD1-CB 3.9Å; L43-R234 WeakPolarHBondContact O-CD 3.11Å; L43-R234 VanDerWaalsContact O-CZ 3.28Å; L43-R234 PolarHBondContact O-NE 2.88Å; L43-R234 PolarHBondContact O-NH1 3.4Å; L43-F236 HydrophobicContact CD1-CD1 3.73Å; L43-F236 HydrophobicContact CD1-CE1 3.84Å; L43-F236 HydrophobicContact CD2-CD1 3.69Å; L43-F236 HydrophobicContact CD2-CE1 4.36Å; L43-F236 HydrophobicContact CD2-CG 4.45Å; L43-F236 HydrophobicContact CG-CD1 4.21Å; L43-F236 HydrophobicContact CG-CE1 4.46Å |
| 44 | D | 91.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -82.2 | -47 | -172.6 | -67.2 | -14.4 | 0 | 0 | 0 | 112.5 | D40 A41 L42 S232 R234 | D40-D44 WeakPolarHBondContact O-CB 3.43Å; D40-D44 PolarHBondContact O-N 3.08Å; A41-D44 PolarHBondContact O-N 2.94Å; L42-D44 VanDerWaalsContact C-N 3.34Å; D44-S232 VanDerWaalsContact CG-OG 3.27Å; D44-S232 WeakPolarHBondContact OD1-CB 3.28Å; D44-S232 PolarHBondContact OD1-OG 2.86Å; D44-S232 WeakPolarHBondContact OD2-CB 3.32Å; D44-S232 PolarHBondContact OD2-OG 2.88Å; D44-R234 PolarHBondContact O-NH1 3.26Å |
| 45 | G | 90 | Very high | 95 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -128.1 | 11.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A41 | A41-G45 PolarHBondContact O-N 3.36Å |
| 46 | G | 93.6 | Very high | 95.1 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | 76.4 | -167.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A41 L42 E48 A49 Y50 | A41-G46 PolarHBondContact O-N 2.76Å; L42-G46 WeakPolarHBondContact O-CA 3.49Å; L42-G46 PolarHBondContact O-N 3.42Å; L42-G46 VanDerWaalsContact O-N 3.08Å; G46-E48 VanDerWaalsContact C-N 3.33Å; G46-E48 PolarHBondContact O-N 3Å; G46-A49 PolarHBondContact O-N 3.19Å; G46-Y50 PolarHBondContact O-N 3.24Å; G46-Y50 VanDerWaalsContact O-N 3.16Å |
| 47 | P | 95.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 31% | 0.312 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -39.3 | -172.3 | -19.9 | 32.6 | 0 | 0 | 0 | 112.6 | A49 Y50 W51 | P47-A49 VanDerWaalsContact C-N 3.3Å; P47-A49 PolarHBondContact O-N 3.41Å; P47-Y50 WeakPolarHBondContact O-CB 3.08Å; P47-Y50 PolarHBondContact O-N 2.84Å; P47-W51 VanDerWaalsContact C-CD1 3.5Å; P47-W51 PolarHBondContact O-N 3.49Å |
| 48 | E | 96.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 44.9 Ų | 44.9 | 59% | 0.589 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.1 | -38 | -178 | -61.2 | 75.6 | -165.1 | 0 | 0 | 111.7 | G46 R52 | G46-E48 VanDerWaalsContact C-N 3.33Å; G46-E48 PolarHBondContact O-N 3Å; E48-R52 WeakPolarHBondContact O-CB 3.2Å; E48-R52 PolarHBondContact O-N 2.9Å; E48-R52 VanDerWaalsContact O-N 3.11Å |
| 49 | A | 96.1 | Very high | 95.2 | Very high | 12 Ų | 12 | 45 Ų | 45 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.6 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A41 G46 P47 R52 V53 | A41-A49 HydrophobicContact CB-CB 4.19Å; A41-A49 WeakPolarHBondContact O-CB 3.44Å; G46-A49 PolarHBondContact O-N 3.19Å; P47-A49 VanDerWaalsContact C-N 3.3Å; P47-A49 PolarHBondContact O-N 3.41Å; A49-R52 WeakPolarHBondContact O-CB 3.27Å; A49-R52 PolarHBondContact O-N 2.95Å; A49-V53 PolarHBondContact O-N 2.92Å |
| 50 | Y | 97.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.1 | -52.4 | 172.8 | 169.5 | -103.8 | 0 | 0 | 0 | 112 | A38 L42 G46 P47 R52 V53 L54 D61 F62 L63 | A38-Y50 HydrophobicContact CB-CD2 3.75Å; A38-Y50 HydrophobicContact CB-CE2 3.79Å; A38-Y50 WeakPolarHBondContact O-CD2 3.34Å; L42-Y50 HydrophobicContact CB-CD2 4.16Å; L42-Y50 HydrophobicContact CB-CG 4.36Å; L42-Y50 HydrophobicContact CD1-CG 4.25Å; G46-Y50 PolarHBondContact O-N 3.24Å; G46-Y50 VanDerWaalsContact O-N 3.16Å; P47-Y50 WeakPolarHBondContact O-CB 3.08Å; P47-Y50 PolarHBondContact O-N 2.84Å; Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.5Å; Y50-V53 PolarHBondContact O-N 3.22Å; Y50-L54 HydrophobicContact CD1-CD1 4.03Å; Y50-L54 HydrophobicContact CD2-CG 4.49Å; Y50-L54 HydrophobicContact CE1-CD1 3.46Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.46Å; Y50-L54 HydrophobicContact CE1-CG 4.33Å; Y50-L54 HydrophobicContact CE2-CD1 4.06Å; Y50-L54 HydrophobicContact CE2-CD2 4.28Å; Y50-L54 HydrophobicContact CE2-CG 4.18Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.48Å; Y50-L54 WeakPolarHBondContact O-CG 3.48Å; Y50-L54 PolarHBondContact O-N 3.43Å; Y50-D61 VanDerWaalsContact CE1-OD1 3.23Å; Y50-D61 WeakPolarHBondContact CE1-OD1 3.47Å; Y50-D61 VanDerWaalsContact CZ-OD1 3.31Å; Y50-D61 PolarHBondContact OH-OD1 3.16Å; Y50-F62 HydrophobicContact CE2-CE1 4.06Å; Y50-F62 HydrophobicContact CE2-CZ 4.24Å; Y50-F62 PolarHBondContact OH-N 3.02Å; Y50-L63 HydrophobicContact CD2-CD1 4.4Å; Y50-L63 HydrophobicContact CE2-CD1 3.78Å; Y50-L63 HydrophobicContact CE2-CG 4.26Å; Y50-L63 PolarHBondContact OH-N 3.28Å |
| 51 | W | 97 | Very high | 95.2 | Very high | 122 Ų | 122 | 48.9 Ų | 48.9 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 179.5 | -65.8 | 122.2 | 0 | 0 | 0 | 113.4 | P47 L54 S55 D61 | P47-W51 VanDerWaalsContact C-CD1 3.5Å; P47-W51 PolarHBondContact O-N 3.49Å; W51-L54 HydrophobicContact CE3-CD1 3.8Å; W51-L54 HydrophobicContact CZ3-CD1 4Å; W51-S55 PolarHBondContact O-N 3.3Å; W51-S55 VanDerWaalsContact O-N 3.09Å; W51-S55 PolarHBondContact O-OG 3.46Å; W51-D61 HydrophobicContact CH2-CB 3.85Å; W51-D61 WeakPolarHBondContact CH2-OD2 3.45Å; W51-D61 HydrophobicContact CZ3-CB 3.63Å |
| 52 | R | 97.1 | Very high | 95.2 | Very high | 147 Ų | 147 | 51.2 Ų | 51.2 | 56% | 0.555 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.3 | -47.1 | 176.8 | -168.4 | -173.6 | -57.1 | 124.6 | 4.4 | 111 | E48 A49 Y50 S55 Q56 | E48-R52 WeakPolarHBondContact O-CB 3.2Å; E48-R52 PolarHBondContact O-N 2.9Å; E48-R52 VanDerWaalsContact O-N 3.11Å; A49-R52 WeakPolarHBondContact O-CB 3.27Å; A49-R52 PolarHBondContact O-N 2.95Å; Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.5Å; R52-S55 WeakPolarHBondContact O-CB 3.47Å; R52-S55 PolarHBondContact O-N 3.01Å; R52-Q56 VanDerWaalsContact O-CG 3.3Å; R52-Q56 WeakPolarHBondContact O-CG 3.33Å; R52-Q56 PolarHBondContact O-N 3.09Å |
| 53 | V | 96.3 | Very high | 95.2 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 178.8 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L37 A38 A41 A49 Y50 S55 Q56 E57 | L37-V53 HydrophobicContact CB-CG1 3.87Å; A38-V53 HydrophobicContact CB-CG1 4.21Å; A41-V53 HydrophobicContact CB-CB 4.18Å; A41-V53 HydrophobicContact CB-CG2 3.56Å; A49-V53 PolarHBondContact O-N 2.92Å; Y50-V53 PolarHBondContact O-N 3.22Å; V53-S55 PolarHBondContact O-N 2.94Å; V53-Q56 PolarHBondContact O-N 3.2Å; V53-Q56 VanDerWaalsContact O-N 3.12Å; V53-E57 HydrophobicContact CG1-CG 3.91Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 WeakPolarHBondContact O-CG 3.4Å; V53-E57 PolarHBondContact O-N 3.13Å |
| 54 | L | 96.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.3 | -41.2 | 173.6 | -70.9 | -177.4 | 0 | 0 | 0 | 112.5 | A38 Y50 W51 G58 E59 V60 D61 F62 | A38-L54 HydrophobicContact CB-CD2 3.72Å; A38-L54 HydrophobicContact CB-CG 4.24Å; Y50-L54 HydrophobicContact CD1-CD1 4.03Å; Y50-L54 HydrophobicContact CD2-CG 4.49Å; Y50-L54 HydrophobicContact CE1-CD1 3.46Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.46Å; Y50-L54 HydrophobicContact CE1-CG 4.33Å; Y50-L54 HydrophobicContact CE2-CD1 4.06Å; Y50-L54 HydrophobicContact CE2-CD2 4.28Å; Y50-L54 HydrophobicContact CE2-CG 4.18Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.48Å; Y50-L54 WeakPolarHBondContact O-CG 3.48Å; Y50-L54 PolarHBondContact O-N 3.43Å; W51-L54 HydrophobicContact CE3-CD1 3.8Å; W51-L54 HydrophobicContact CZ3-CD1 4Å; L54-G58 CarbonylContact O-C 3.58Å; L54-G58 WeakPolarHBondContact O-CA 3.43Å; L54-G58 PolarHBondContact O-N 2.89Å; L54-E59 HydrophobicContact CD2-CB 3.87Å; L54-E59 HydrophobicContact CD2-CG 4.15Å; L54-E59 PolarHBondContact O-N 3.17Å; L54-V60 WeakPolarHBondContact CD2-O 3.45Å; L54-D61 HydrophobicContact CD1-CB 4.24Å; L54-F62 HydrophobicContact CD2-CD1 4.22Å; L54-F62 HydrophobicContact CD2-CE1 4.03Å |
| 55 | S | 95.6 | Very high | 95.5 | Very high | 100 Ų | 100 | 55.8 Ų | 55.8 | 70% | 0.699 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.1 | -38.1 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | W51 R52 V53 | W51-S55 PolarHBondContact O-N 3.3Å; W51-S55 VanDerWaalsContact O-N 3.09Å; W51-S55 PolarHBondContact O-OG 3.46Å; R52-S55 WeakPolarHBondContact O-CB 3.47Å; R52-S55 PolarHBondContact O-N 3.01Å; V53-S55 PolarHBondContact O-N 2.94Å |
| 56 | Q | 95.1 | Very high | 95.7 | Very high | 123 Ų | 123 | 58.7 Ų | 58.7 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70 | -45.7 | 178.3 | -72.6 | 171.1 | -7.3 | 0 | 0 | 112.1 | R52 V53 G58 | R52-Q56 VanDerWaalsContact O-CG 3.3Å; R52-Q56 WeakPolarHBondContact O-CG 3.33Å; R52-Q56 PolarHBondContact O-N 3.09Å; V53-Q56 PolarHBondContact O-N 3.2Å; V53-Q56 VanDerWaalsContact O-N 3.12Å; Q56-G58 PolarHBondContact O-N 3.31Å |
| 57 | E | 95.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 62.5 Ų | 62.5 | 24% | 0.238 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.3 | 179.2 | -61.4 | -57.1 | 128.4 | 0 | 0 | 112.6 | H6 G8 L37 V53 E59 | H6-E57 PolarHBondContact CD2-O 3.47Å; H6-E57 VanDerWaalsContact CD2-O 3.24Å; H6-E57 IonicContact NE2-OE2 3.4Å; G8-E57 PolarHBondContact N-O 2.94Å; L37-E57 HydrophobicContact CD1-CG 4.19Å; V53-E57 HydrophobicContact CG1-CG 3.91Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 WeakPolarHBondContact O-CG 3.4Å; V53-E57 PolarHBondContact O-N 3.13Å; E57-E59 PolarHBondContact O-N 3.24Å |
| 58 | G | 94.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 34.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G8 R11 L54 Q56 | G8-G58 PolarHBondContact N-O 3.01Å; R11-G58 WeakPolarHBondContact CB-O 3.39Å; R11-G58 WeakPolarHBondContact CD-O 3.42Å; R11-G58 PolarHBondContact NE-O 2.92Å; R11-G58 VanDerWaalsContact NE-O 3.09Å; L54-G58 CarbonylContact O-C 3.58Å; L54-G58 WeakPolarHBondContact O-CA 3.43Å; L54-G58 PolarHBondContact O-N 2.89Å; Q56-G58 PolarHBondContact O-N 3.31Å |
| 59 | E | 95.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -96 | 167.8 | -177.1 | -164.7 | 55.3 | -76.7 | 0 | 0 | 111.3 | G8 K9 I10 R11 N32 S34 L54 E57 | G8-E59 VanDerWaalsContact C-OE2 3.26Å; G8-E59 WeakPolarHBondContact CA-OE2 3.37Å; K9-E59 PolarHBondContact N-OE2 2.83Å; I10-E59 WeakPolarHBondContact CA-OE1 3.43Å; I10-E59 VanDerWaalsContact CB-OE1 3.26Å; I10-E59 WeakPolarHBondContact CB-OE1 3.43Å; I10-E59 PolarHBondContact N-OE1 3.23Å; I10-E59 VanDerWaalsContact N-OE1 3.12Å; I10-E59 PolarHBondContact N-OE2 3.36Å; I10-E59 VanDerWaalsContact N-OE2 3.15Å; R11-E59 PolarHBondContact N-OE1 3.26Å; R11-E59 PolarHBondContact NE-O 2.56Å; R11-E59 PolarHBondContact NH2-O 3.26Å; N32-E59 PolarHBondContact ND2-OE2 3.16Å; S34-E59 PolarHBondContact OG-OE2 3.05Å; L54-E59 HydrophobicContact CD2-CB 3.87Å; L54-E59 HydrophobicContact CD2-CG 4.15Å; L54-E59 PolarHBondContact O-N 3.17Å; E57-E59 PolarHBondContact O-N 3.24Å |
| 60 | V | 95.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 63 Ų | 63 | 13% | 0.127 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 158.3 | 170.7 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | I10 R11 L14 L54 F62 | I10-V60 HydrophobicContact CB-CG2 3.76Å; I10-V60 HydrophobicContact CG2-CG2 3.38Å; R11-V60 HydrophobicContact CB-CG1 3.91Å; R11-V60 HydrophobicContact CG-CG1 4.17Å; L14-V60 HydrophobicContact CD2-CG1 4.11Å; L54-V60 WeakPolarHBondContact CD2-O 3.45Å; V60-F62 PolarHBondContact O-N 3Å |
| 61 | D | 95.9 | Very high | 95.3 | Very high | 83 Ų | 83 | 63.2 Ų | 63.2 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 117.2 | 165 | -173.8 | 23.1 | 0 | 0 | 0 | 110.1 | Y50 W51 L54 | Y50-D61 VanDerWaalsContact CE1-OD1 3.23Å; Y50-D61 WeakPolarHBondContact CE1-OD1 3.47Å; Y50-D61 VanDerWaalsContact CZ-OD1 3.31Å; Y50-D61 PolarHBondContact OH-OD1 3.16Å; W51-D61 HydrophobicContact CH2-CB 3.85Å; W51-D61 WeakPolarHBondContact CH2-OD2 3.45Å; W51-D61 HydrophobicContact CZ3-CB 3.63Å; L54-D61 HydrophobicContact CD1-CB 4.24Å |
| 62 | F | 95.7 | Very high | 95.1 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | trans | -118.4 | -14.6 | -174.9 | 67.2 | -92.1 | 0 | 0 | 0 | 113.5 | I10 A35 A38 Y50 L54 V60 | I10-F62 HydrophobicContact CD1-CB 3.98Å; I10-F62 HydrophobicContact CD1-CD1 4.32Å; I10-F62 HydrophobicContact CD1-CG 4.17Å; A35-F62 HydrophobicContact CB-CD1 4.31Å; A35-F62 HydrophobicContact CB-CE1 3.69Å; A35-F62 HydrophobicContact CB-CE2 4.06Å; A35-F62 HydrophobicContact CB-CZ 3.56Å; A35-F62 WeakPolarHBondContact O-CZ 3.44Å; A38-F62 HydrophobicContact CB-CE1 4Å; A38-F62 HydrophobicContact CB-CZ 4.34Å; Y50-F62 HydrophobicContact CE2-CE1 4.06Å; Y50-F62 HydrophobicContact CE2-CZ 4.24Å; Y50-F62 PolarHBondContact OH-N 3.02Å; L54-F62 HydrophobicContact CD2-CD1 4.22Å; L54-F62 HydrophobicContact CD2-CE1 4.03Å; V60-F62 PolarHBondContact O-N 3Å | ||
| 63 | L | 95.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -90.6 | 129.2 | 175.8 | -67 | 176.3 | 0 | 0 | 0 | 109.9 | L42 Y50 E67 I71 | L42-L63 HydrophobicContact CD2-CD1 3.52Å; Y50-L63 HydrophobicContact CD2-CD1 4.4Å; Y50-L63 HydrophobicContact CE2-CD1 3.78Å; Y50-L63 HydrophobicContact CE2-CG 4.26Å; Y50-L63 PolarHBondContact OH-N 3.28Å; L63-E67 HydrophobicContact CD2-CB 4.38Å; L63-I71 HydrophobicContact CD1-CD1 4.05Å; L63-I71 HydrophobicContact CD2-CD1 4.3Å |
| 64 | S | 95.5 | Very high | 94.4 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | trans | -66.6 | 159.2 | 168.4 | 66.5 | 0 | 0 | 0 | 0 | 111 | V66 E67 A68 | S64-V66 PolarHBondContact O-N 3.22Å; S64-E67 WeakPolarHBondContact CB-OE2 3.49Å; S64-E67 PolarHBondContact N-OE2 2.75Å; S64-E67 PolarHBondContact O-N 3.37Å; S64-E67 VanDerWaalsContact O-N 3.17Å; S64-E67 VanDerWaalsContact OG-CD 3.25Å; S64-E67 VanDerWaalsContact OG-CG 3.27Å; S64-E67 WeakPolarHBondContact OG-CG 3.34Å; S64-E67 PolarHBondContact OG-N 2.95Å; S64-E67 PolarHBondContact OG-OE2 2.89Å; S64-A68 PolarHBondContact O-N 3.5Å | ||
| 65 | S | 94.9 | Very high | 94 | Very high | 87 Ų | 87 | 60.4 Ų | 60.4 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.6 | -35.5 | 176 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | Q69 | S65-Q69 WeakPolarHBondContact O-CB 3.23Å; S65-Q69 WeakPolarHBondContact O-CG 3.5Å; S65-Q69 PolarHBondContact O-N 2.87Å |
| 66 | V | 94.3 | Very high | 93.4 | Very high | 104 Ų | 104 | 61 Ų | 61 | 63% | 0.63 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.1 | -43.3 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | S64 Y70 | S64-V66 PolarHBondContact O-N 3.22Å; V66-Y70 WeakPolarHBondContact O-CB 3.39Å; V66-Y70 PolarHBondContact O-N 3.38Å |
| 67 | E | 94.8 | Very high | 92.6 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 176.9 | -71.7 | 162.5 | 142.5 | 0 | 0 | 111.2 | L63 S64 Q69 Y70 I71 | L63-E67 HydrophobicContact CD2-CB 4.38Å; S64-E67 WeakPolarHBondContact CB-OE2 3.49Å; S64-E67 PolarHBondContact N-OE2 2.75Å; S64-E67 PolarHBondContact O-N 3.37Å; S64-E67 VanDerWaalsContact O-N 3.17Å; S64-E67 VanDerWaalsContact OG-CD 3.25Å; S64-E67 VanDerWaalsContact OG-CG 3.27Å; S64-E67 WeakPolarHBondContact OG-CG 3.34Å; S64-E67 PolarHBondContact OG-N 2.95Å; S64-E67 PolarHBondContact OG-OE2 2.89Å; E67-Q69 VanDerWaalsContact C-N 3.34Å; E67-Q69 PolarHBondContact O-N 3.44Å; E67-Y70 WeakPolarHBondContact O-CB 3.39Å; E67-Y70 PolarHBondContact O-N 3.41Å; E67-I71 WeakPolarHBondContact O-CB 3.46Å; E67-I71 VanDerWaalsContact O-CG1 3.23Å; E67-I71 WeakPolarHBondContact O-CG1 3.1Å; E67-I71 PolarHBondContact O-N 3.38Å |
| 68 | A | 94.2 | Very high | 90.9 | Very high | 20 Ų | 20 | 66.1 Ų | 66.1 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L42 S64 I71 Q72 | L42-A68 HydrophobicContact CD2-CB 4.06Å; S64-A68 PolarHBondContact O-N 3.5Å; A68-I71 PolarHBondContact O-N 2.87Å; A68-Q72 VanDerWaalsContact O-CG 3.32Å; A68-Q72 WeakPolarHBondContact O-CG 3.43Å; A68-Q72 PolarHBondContact O-N 3.44Å; A68-Q72 VanDerWaalsContact O-N 3.14Å |
| 69 | Q | 94.4 | Very high | 88.6 | Confident | 127 Ų | 127 | 71.1 Ų | 71.1 | 59% | 0.593 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 175.1 | -74.5 | 171.6 | 10 | 0 | 0 | 112.1 | S65 E67 Q72 A73 | S65-Q69 WeakPolarHBondContact O-CB 3.23Å; S65-Q69 WeakPolarHBondContact O-CG 3.5Å; S65-Q69 PolarHBondContact O-N 2.87Å; E67-Q69 VanDerWaalsContact C-N 3.34Å; E67-Q69 PolarHBondContact O-N 3.44Å; Q69-Q72 PolarHBondContact O-N 2.84Å; Q69-A73 VanDerWaalsContact O-CB 3.25Å; Q69-A73 WeakPolarHBondContact O-CB 3.18Å; Q69-A73 PolarHBondContact O-N 3.29Å |
| 70 | Y | 93.4 | Very high | 86.2 | Confident | 49 Ų | 49 | 76.1 Ų | 76.1 | 19% | 0.192 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60 | -50.6 | 176.6 | 174 | -94.8 | 0 | 0 | 0 | 111.6 | V66 E67 Q72 A73 Q74 F236 A237 Q239 | V66-Y70 WeakPolarHBondContact O-CB 3.39Å; V66-Y70 PolarHBondContact O-N 3.38Å; E67-Y70 WeakPolarHBondContact O-CB 3.39Å; E67-Y70 PolarHBondContact O-N 3.41Å; Y70-Q72 VanDerWaalsContact C-N 3.25Å; Y70-Q72 PolarHBondContact O-N 2.62Å; Y70-A73 PolarHBondContact O-N 3.48Å; Y70-Q74 HydrophobicContact CD2-CG 3.93Å; Y70-Q74 HydrophobicContact CE1-CG 4.2Å; Y70-Q74 HydrophobicContact CE2-CG 3.47Å; Y70-Q74 VanDerWaalsContact CE2-CG 3.47Å; Y70-Q74 HydrophobicContact CG-CG 4.47Å; Y70-Q74 WeakPolarHBondContact O-CB 3.36Å; Y70-Q74 WeakPolarHBondContact O-CG 3.23Å; Y70-Q74 PolarHBondContact O-N 2.78Å; Y70-F236 AromaticContact CE1-CD2 3.99Å; Y70-F236 HydrophobicContact CE1-CD2 3.99Å; Y70-F236 HydrophobicContact CE1-CE2 4.26Å; Y70-A237 PolarHBondContact OH-O 3.13Å; Y70-Q239 HydrophobicContact CD2-CG 4.46Å; Y70-Q239 HydrophobicContact CE1-CG 4.37Å; Y70-Q239 HydrophobicContact CE2-CG 3.51Å; Y70-Q239 VanDerWaalsContact CE2-NE2 3.25Å; Y70-Q239 VanDerWaalsContact CZ-CG 3.45Å; Y70-Q239 WeakPolarHBondContact OH-CG 3.35Å |
| 71 | I | 93.8 | Very high | 83.6 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 6% | 0.056 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -56 | -43.7 | 179.8 | -70.4 | 167.9 | 0 | 0 | 0 | 110.4 | L42 L43 L63 E67 A68 A75 F236 | L42-I71 HydrophobicContact CD2-CB 4.22Å; L42-I71 HydrophobicContact CD2-CD1 4.06Å; L42-I71 HydrophobicContact CD2-CG2 4.01Å; L42-I71 HydrophobicContact CG-CG2 4.45Å; L43-I71 HydrophobicContact CD1-CG2 4.46Å; L43-I71 HydrophobicContact CD2-CG2 3.35Å; L43-I71 HydrophobicContact CG-CG2 3.63Å; L63-I71 HydrophobicContact CD1-CD1 4.05Å; L63-I71 HydrophobicContact CD2-CD1 4.3Å; E67-I71 WeakPolarHBondContact O-CB 3.46Å; E67-I71 VanDerWaalsContact O-CG1 3.23Å; E67-I71 WeakPolarHBondContact O-CG1 3.1Å; E67-I71 PolarHBondContact O-N 3.38Å; A68-I71 PolarHBondContact O-N 2.87Å; I71-A75 WeakPolarHBondContact O-CB 3.22Å; I71-A75 PolarHBondContact O-N 2.66Å; I71-F236 HydrophobicContact CD1-CZ 4.33Å; I71-F236 HydrophobicContact CG1-CD2 4.45Å; I71-F236 HydrophobicContact CG1-CE1 4.2Å; I71-F236 HydrophobicContact CG1-CE2 3.98Å; I71-F236 HydrophobicContact CG1-CZ 3.84Å; I71-F236 HydrophobicContact CG2-CD1 4.11Å; I71-F236 HydrophobicContact CG2-CE1 4.03Å |
| 72 | Q | 92.1 | Very high | 80.9 | Confident | 70 Ų | 70 | 82 Ų | 82 | 33% | 0.327 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70 | -42.4 | 178.7 | -71.6 | 177.8 | -9.1 | 0 | 0 | 113.2 | L42 A68 Q69 Y70 Q74 A75 | L42-Q72 HydrophobicContact CD1-CG 4.42Å; L42-Q72 HydrophobicContact CG-CG 4.46Å; A68-Q72 VanDerWaalsContact O-CG 3.32Å; A68-Q72 WeakPolarHBondContact O-CG 3.43Å; A68-Q72 PolarHBondContact O-N 3.44Å; A68-Q72 VanDerWaalsContact O-N 3.14Å; Q69-Q72 PolarHBondContact O-N 2.84Å; Y70-Q72 VanDerWaalsContact C-N 3.25Å; Y70-Q72 PolarHBondContact O-N 2.62Å; Q72-Q74 VanDerWaalsContact C-N 3.31Å; Q72-Q74 PolarHBondContact O-N 3.03Å; Q72-A75 WeakPolarHBondContact O-CB 3.47Å; Q72-A75 PolarHBondContact O-N 3.48Å |
| 73 | A | 90.6 | Very high | 78.3 | Confident | 78 Ų | 78 | 86.1 Ų | 86.1 | 65% | 0.645 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.7 | -31.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q69 Y70 | Q69-A73 VanDerWaalsContact O-CB 3.25Å; Q69-A73 WeakPolarHBondContact O-CB 3.18Å; Q69-A73 PolarHBondContact O-N 3.29Å; Y70-A73 PolarHBondContact O-N 3.48Å |
| 74 | Q | 88.4 | Confident | 75.2 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 32% | 0.318 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 3.7 | 179.1 | -61.1 | -56.3 | -44.3 | 0 | 0 | 113.4 | Y70 Q72 W76 F236 | Y70-Q74 HydrophobicContact CD2-CG 3.93Å; Y70-Q74 HydrophobicContact CE1-CG 4.2Å; Y70-Q74 HydrophobicContact CE2-CG 3.47Å; Y70-Q74 VanDerWaalsContact CE2-CG 3.47Å; Y70-Q74 HydrophobicContact CG-CG 4.47Å; Y70-Q74 WeakPolarHBondContact O-CB 3.36Å; Y70-Q74 WeakPolarHBondContact O-CG 3.23Å; Y70-Q74 PolarHBondContact O-N 2.78Å; Q72-Q74 VanDerWaalsContact C-N 3.31Å; Q72-Q74 PolarHBondContact O-N 3.03Å; Q74-W76 PolarHBondContact O-N 3.5Å; Q74-F236 HydrophobicContact CB-CB 4.12Å |
| 75 | A | 87.1 | Confident | 72.8 | Confident | 25 Ų | 25 | 97.8 Ų | 97.8 | 21% | 0.207 | 54% | 0.542 | C | S | . | . | trans | -70.1 | 125.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | L43 I71 Q72 K235 | L43-A75 HydrophobicContact CD2-CB 3.92Å; I71-A75 WeakPolarHBondContact O-CB 3.22Å; I71-A75 PolarHBondContact O-N 2.66Å; Q72-A75 WeakPolarHBondContact O-CB 3.47Å; Q72-A75 PolarHBondContact O-N 3.48Å; A75-K235 CarbonylContact C-O 3.56Å; A75-K235 WeakPolarHBondContact CA-O 3.43Å | ||
| 76 | W | 84.2 | Confident | 69.8 | Low | 113 Ų | 113 | 97.2 Ų | 97.2 | 43% | 0.428 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.8 | 175.5 | 68.1 | -79.5 | 0 | 0 | 0 | 111.4 | Q74 R78 K235 | Q74-W76 PolarHBondContact O-N 3.5Å; W76-R78 HydrophobicContact CH2-CG 3.66Å; W76-R78 HydrophobicContact CZ3-CB 4.3Å; W76-R78 HydrophobicContact CZ3-CG 3.5Å; W76-R78 VanDerWaalsContact CZ3-CG 3.5Å; W76-K235 VanDerWaalsContact CD1-O 3.26Å; W76-K235 HydrophobicContact CZ2-CB 4.36Å; W76-K235 HydrophobicContact CZ2-CD 4.33Å; W76-K235 PolarHBondContact N-O 3.37Å; W76-K235 PolarHBondContact O-N 3.11Å |
| 77 | E | 78.8 | Confident | 66.7 | Low | 132 Ų | 132 | 96 Ų | 96 | 62% | 0.617 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103 | 139.3 | 173.7 | -75.1 | 172.8 | -167.5 | 0 | 0 | 109.3 | R234 | E77-R234 HydrophobicContact CG-CG 3.92Å; E77-R234 IonicContact OE1-NE 2.77Å |
| 78 | R | 58.6 | Low | 64.1 | Low | 149 Ų | 149 | 95.7 Ų | 95.7 | 56% | 0.562 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 132.9 | 160 | -83.4 | -174.6 | 179.6 | 155.9 | -1.3 | 107.4 | W76 C80 K235 | W76-R78 HydrophobicContact CH2-CG 3.66Å; W76-R78 HydrophobicContact CZ3-CB 4.3Å; W76-R78 HydrophobicContact CZ3-CG 3.5Å; W76-R78 VanDerWaalsContact CZ3-CG 3.5Å; R78-C80 PolarHBondContact O-N 3.45Å; R78-K235 VanDerWaalsContact NH1-NZ 3.14Å |
| 79 | P | 47.2 | Very low | 61.2 | Low | 119 Ų | 119 | 103.1 Ų | 103.1 | 77% | 0.773 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 119.1 | 158.4 | -15.3 | 28.3 | 0 | 0 | 0 | 106.4 | ||
| 80 | C | 45.6 | Very low | 58.4 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 72% | 0.723 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 134.9 | 158.7 | -69.1 | 0 | 0 | 0 | 0 | 106.3 | R78 | R78-C80 PolarHBondContact O-N 3.45Š|
| 81 | P | 40 | Very low | 55.3 | Low | 107 Ų | 107 | 104.7 Ų | 104.7 | 70% | 0.695 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 133.6 | 162.5 | 23.6 | -29.8 | 0 | 0 | 0 | 105.9 | D83 | P81-D83 PolarHBondContact O-N 3.25Š|
| 82 | P | 39.9 | Very low | 52.7 | Low | 120 Ų | 120 | 110.5 Ų | 110.5 | 78% | 0.779 | 68% | 0.679 | S | S | * | * | trans | -56.5 | 113.3 | 178.4 | 21.6 | -29.4 | 0 | 0 | 0 | 106.2 | T84 | P82-T84 PolarHBondContact O-N 2.94Š| ||
| 83 | D | 40.9 | Very low | 50.3 | Low | 150 Ų | 150 | 116.8 Ų | 116.8 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | trans | -48 | 116.4 | 161.5 | -78.4 | -36.1 | 0 | 0 | 0 | 104.5 | P81 L85 | P81-D83 PolarHBondContact O-N 3.25Å; D83-L85 PolarHBondContact O-N 3.02Å | ||
| 84 | T | 31.1 | Very low | 47.3 | Very low | 141 Ų | 141 | 116.7 Ų | 116.7 | 87% | 0.865 | 71% | 0.711 | S | S | * | * | trans | -55.8 | 94.4 | 173.7 | 30.1 | 0 | 0 | 0 | 0 | 107.1 | P82 G86 | P82-T84 PolarHBondContact O-N 2.94Å; T84-G86 PolarHBondContact O-N 3.42Å | ||
| 85 | L | 43.9 | Very low | 45 | Very low | 182 Ų | 182 | 120.6 Ų | 120.6 | 95% | 0.953 | 73% | 0.734 | S | S | * | * | trans | -68.1 | 102 | 169.3 | -173.4 | 72.6 | 0 | 0 | 0 | 106.3 | D83 | D83-L85 PolarHBondContact O-N 3.02Š| ||
| 86 | G | 32.6 | Very low | 42.2 | Very low | 75 Ų | 75 | 126.7 Ų | 126.7 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -175.5 | 85.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | T84 | T84-G86 PolarHBondContact O-N 3.42Š| ||
| 87 | G | 29.5 | Very low | 40.1 | Very low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 149.2 | 93.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 88 | A | 39 | Very low | 38 | Very low | 88 Ų | 88 | 124.9 Ų | 124.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -54.2 | 147 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 89 | E | 33.9 | Very low | 37.4 | Very low | 176 Ų | 176 | 123.2 Ų | 123.2 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | 178.7 | 148.5 | 119.2 | -87.8 | -56.2 | 116.6 | 0 | 0 | 109.7 | |||||
| 90 | T | 36 | Very low | 36.9 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | -80 | 141.9 | -163.2 | -52.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 91 | G | 28.3 | Very low | 36.4 | Very low | 68 Ų | 68 | 128.8 Ų | 128.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -178.7 | 144.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 92 | P | 39.5 | Very low | 37 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -100.5 | 156.5 | -144.9 | 37.7 | -33.9 | 0 | 0 | 0 | 117 | ||||
| 93 | K | 41.8 | Very low | 37 | Very low | 202 Ų | 202 | 126.4 Ų | 126.4 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | 11 | 118.2 | 158.1 | -75.9 | -173.1 | 172.9 | -178.2 | 0 | 118.7 | ||||
| 94 | G | 26.5 | Very low | 37.3 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -133.9 | 113 | 146 | 0 | 0 | 0 | 0 | 0 | 109 | D96 | G94-D96 PolarHBondContact O-N 2.84Š| ||
| 95 | L | 40.1 | Very low | 38 | Very low | 150 Ų | 150 | 123 Ų | 123 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -60.8 | 128.6 | 158.3 | -92.8 | 85 | 0 | 0 | 0 | 106.4 | ||||
| 96 | D | 28.7 | Very low | 38.1 | Very low | 154 Ų | 154 | 122.3 Ų | 122.3 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -147.2 | 97 | 145.7 | -87.5 | -33 | 0 | 0 | 0 | 109.2 | G94 S98 | G94-D96 PolarHBondContact O-N 2.84Å; D96-S98 VanDerWaalsContact C-N 3.32Å; D96-S98 PolarHBondContact O-N 3.46Å | ||
| 97 | S | 40.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -60.2 | 94.8 | 156.1 | -63.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 98 | S | 33.1 | Very low | 39.3 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | trans | -112.4 | 92.2 | 161.5 | 66.2 | 0 | 0 | 0 | 0 | 109.2 | D96 L100 | D96-S98 VanDerWaalsContact C-N 3.32Å; D96-S98 PolarHBondContact O-N 3.46Å; S98-L100 VanDerWaalsContact C-N 3.27Å; S98-L100 PolarHBondContact O-N 3.31Å | ||
| 99 | S | 46.4 | Very low | 39.2 | Very low | 115 Ų | 115 | 125 Ų | 125 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -52.6 | 92.1 | 154.6 | 51.8 | 0 | 0 | 0 | 0 | 109.3 | Q101 | S99-Q101 PolarHBondContact O-N 3.09Š| ||
| 100 | L | 36.8 | Very low | 39.6 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | trans | -86.7 | 96.9 | 168.6 | -77.2 | 168.9 | 0 | 0 | 0 | 108.7 | S98 | S98-L100 VanDerWaalsContact C-N 3.27Å; S98-L100 PolarHBondContact O-N 3.31Å | ||
| 101 | Q | 35.9 | Very low | 40 | Very low | 184 Ų | 184 | 123.9 Ų | 123.9 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -31.9 | 128 | 159.5 | -122 | 167.8 | -29 | 0 | 0 | 113.1 | S99 | S99-Q101 PolarHBondContact O-N 3.09Š| ||
| 102 | S | 52.8 | Low | 40.8 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 43.9 | 78.8 | 147.2 | -169.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 103 | G | 40.1 | Very low | 41 | Very low | 69 Ų | 69 | 122.6 Ų | 122.6 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | -84.9 | 103.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y105 | G103-Y105 PolarHBondContact O-N 3.48Š| ||
| 104 | T | 45.6 | Very low | 41.3 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | trans | -49.4 | 130.1 | 168.2 | -26.9 | 0 | 0 | 0 | 0 | 108.9 | F106 | T104-F106 VanDerWaalsContact O-CD2 3.22Å; T104-F106 WeakPolarHBondContact O-CD2 3.3Å; T104-F106 PolarHBondContact O-N 3.48Å | ||
| 105 | Y | 46.9 | Very low | 42.6 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 46% | 0.459 | 70% | 0.703 | S | S | . | * | trans | -65.4 | 118 | -178.3 | 175.1 | -102.2 | 0 | 0 | 0 | 110.2 | G103 P107 | G103-Y105 PolarHBondContact O-N 3.48Å; Y105-P107 HydrophobicContact CD1-CG 4.29Å; Y105-P107 HydrophobicContact CE1-CB 4.05Å; Y105-P107 HydrophobicContact CE1-CG 3.75Å | ||
| 106 | F | 44.9 | Very low | 43.3 | Very low | 168 Ų | 168 | 114.9 Ų | 114.9 | 74% | 0.737 | 70% | 0.701 | S | S | * | * | trans | -104.4 | 116.3 | 164.8 | -68.4 | -84.9 | 0 | 0 | 0 | 107.1 | T104 V108 | T104-F106 VanDerWaalsContact O-CD2 3.22Å; T104-F106 WeakPolarHBondContact O-CD2 3.3Å; T104-F106 PolarHBondContact O-N 3.48Å; F106-V108 PolarHBondContact O-N 2.91Å; F106-V108 VanDerWaalsContact O-N 3.16Å | ||
| 107 | P | 43.1 | Very low | 44.5 | Very low | 81 Ų | 81 | 109.5 Ų | 109.5 | 53% | 0.526 | 67% | 0.671 | S | S | . | * | trans | -58.1 | 124.1 | 169.7 | -6.7 | 16.3 | 0 | 0 | 0 | 107.7 | Y105 A109 | Y105-P107 HydrophobicContact CD1-CG 4.29Å; Y105-P107 HydrophobicContact CE1-CB 4.05Å; Y105-P107 HydrophobicContact CE1-CG 3.75Å; P107-A109 PolarHBondContact O-N 3.46Å | ||
| 108 | V | 44.8 | Very low | 45.2 | Very low | 136 Ų | 136 | 104.8 Ų | 104.8 | 82% | 0.824 | 64% | 0.637 | S | S | * | * | trans | -65.7 | 109.1 | 174 | 178 | 0 | 0 | 0 | 0 | 106.6 | F106 S110 | F106-V108 PolarHBondContact O-N 2.91Å; F106-V108 VanDerWaalsContact O-N 3.16Å; V108-S110 PolarHBondContact O-N 3.17Å | ||
| 109 | A | 36.7 | Very low | 46 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 66% | 0.661 | 64% | 0.644 | S | S | * | * | trans | -57 | 111.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | P107 E111 | P107-A109 PolarHBondContact O-N 3.46Å; A109-E111 PolarHBondContact O-N 2.94Å | ||
| 110 | S | 42.7 | Very low | 46.3 | Very low | 105 Ų | 105 | 105.1 Ų | 105.1 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | trans | -76 | 96.9 | 175.7 | -168.4 | 0 | 0 | 0 | 0 | 107.3 | V108 G112 | V108-S110 PolarHBondContact O-N 3.17Å; S110-G112 PolarHBondContact O-N 3.28Å | ||
| 111 | E | 44.2 | Very low | 47.6 | Very low | 190 Ų | 190 | 98.2 Ų | 98.2 | 89% | 0.888 | 58% | 0.584 | S | S | * | * | trans | -66.5 | 78.2 | 169.5 | -67.5 | -101.9 | 143 | 0 | 0 | 109 | A109 | A109-E111 PolarHBondContact O-N 2.94Š| ||
| 112 | G | 44.8 | Very low | 48.6 | Very low | 59 Ų | 59 | 92.6 Ų | 92.6 | 61% | 0.608 | 57% | 0.569 | S | S | * | * | trans | -83.2 | 136.6 | 167 | 0 | 0 | 0 | 0 | 0 | 109.3 | S110 E114 | S110-G112 PolarHBondContact O-N 3.28Å; G112-E114 PolarHBondContact O-N 3.09Å; G112-E114 VanDerWaalsContact O-N 3.12Å | ||
| 113 | S | 44.8 | Very low | 48.8 | Very low | 115 Ų | 115 | 91.4 Ų | 91.4 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | trans | -54.8 | 119.2 | 170.7 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | P115 | S113-P115 VanDerWaalsContact O-CD 3.23Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å | ||
| 114 | E | 47.3 | Very low | 50.1 | Low | 142 Ų | 142 | 89.6 Ų | 89.6 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | trans | -55.4 | 113.8 | -178.9 | -157.8 | 176 | 172.2 | 0 | 0 | 108.9 | G112 A116 A291 | G112-E114 PolarHBondContact O-N 3.09Å; G112-E114 VanDerWaalsContact O-N 3.12Å; E114-A116 PolarHBondContact O-N 3.45Å; E114-A116 VanDerWaalsContact O-N 3.09Å; E114-A291 HydrophobicContact CG-CB 3.97Å | ||
| 115 | P | 54.9 | Low | 51.7 | Low | 36 Ų | 36 | 91.3 Ų | 91.3 | 23% | 0.234 | 54% | 0.54 | C | S | . | . | trans | -52.4 | 123.1 | 169.7 | -18.2 | 27.7 | 0 | 0 | 0 | 106.2 | S113 L117 A291 | S113-P115 VanDerWaalsContact O-CD 3.23Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å; P115-L117 VanDerWaalsContact C-N 3.32Å; P115-L117 PolarHBondContact O-N 3.34Å; P115-A291 WeakPolarHBondContact CD-O 3.4Å; P115-A291 WeakPolarHBondContact CG-O 3.45Å | ||
| 116 | A | 53.7 | Low | 53.6 | Low | 88 Ų | 88 | 87.5 Ų | 87.5 | 73% | 0.727 | 53% | 0.526 | S | S | * | . | trans | -53.8 | 99.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | E114 L118 | E114-A116 PolarHBondContact O-N 3.45Å; E114-A116 VanDerWaalsContact O-N 3.09Å; A116-L118 PolarHBondContact O-N 3.32Å | ||
| 117 | L | 54.2 | Low | 55.7 | Low | 40 Ų | 40 | 81.5 Ų | 81.5 | 21% | 0.209 | 50% | 0.504 | C | S | . | . | trans | -53.8 | 129.7 | 166.1 | -87.7 | 167.9 | 0 | 0 | 0 | 105.3 | P115 H119 R287 Y290 | P115-L117 VanDerWaalsContact C-N 3.32Å; P115-L117 PolarHBondContact O-N 3.34Å; L117-H119 PolarHBondContact O-N 3.15Å; L117-H119 VanDerWaalsContact O-N 3.1Å; L117-R287 HydrophobicContact CD1-CB 3.97Å; L117-R287 HydrophobicContact CD1-CG 3.94Å; L117-R287 HydrophobicContact CD2-CG 4.31Å; L117-Y290 HydrophobicContact CD2-CD1 3.23Å; L117-Y290 HydrophobicContact CD2-CE1 3.79Å; L117-Y290 HydrophobicContact CD2-CG 3.74Å; L117-Y290 HydrophobicContact CG-CD1 3.89Å; L117-Y290 HydrophobicContact CG-CE1 4.36Å | ||
| 118 | L | 56.6 | Low | 57.9 | Low | 21 Ų | 21 | 77.8 Ų | 77.8 | 11% | 0.11 | 48% | 0.479 | C | S | . | . | trans | -57.8 | 126.5 | -175.9 | -67.5 | 158.4 | 0 | 0 | 0 | 109.4 | A116 S120 W121 A122 P302 | A116-L118 PolarHBondContact O-N 3.32Å; L118-S120 PolarHBondContact O-N 2.85Å; L118-W121 HydrophobicContact CB-CD2 4.43Å; L118-W121 HydrophobicContact CB-CG 4.39Å; L118-W121 HydrophobicContact CD1-CD2 3.88Å; L118-W121 HydrophobicContact CD1-CE3 4.19Å; L118-W121 HydrophobicContact CD1-CG 4.45Å; L118-W121 HydrophobicContact CD1-CH2 4Å; L118-W121 HydrophobicContact CD1-CZ2 3.72Å; L118-W121 HydrophobicContact CD1-CZ3 4.24Å; L118-W121 PolarHBondContact O-N 3.23Å; L118-A122 PolarHBondContact O-N 2.91Å; L118-P302 HydrophobicContact CD1-CB 3.28Å; L118-P302 VanDerWaalsContact CD1-CD 3.46Å; L118-P302 HydrophobicContact CD1-CG 3.36Å; L118-P302 WeakPolarHBondContact CD1-O 3.4Å; L118-P302 VanDerWaalsContact CD2-O 3.29Å; L118-P302 WeakPolarHBondContact CD2-O 3.37Å; L118-P302 HydrophobicContact CG-CG 4.48Å | ||
| 119 | H | 48.3 | Very low | 60 | Low | 165 Ų | 165 | 75.2 Ų | 75.2 | 76% | 0.764 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -52 | -25.6 | 177 | -150 | 66.3 | 0 | 0 | 0 | 112.1 | L117 S123 | L117-H119 PolarHBondContact O-N 3.15Å; L117-H119 VanDerWaalsContact O-N 3.1Å; H119-S123 WeakPolarHBondContact O-CB 3.22Å; H119-S123 PolarHBondContact O-N 3.12Å; H119-S123 PolarHBondContact O-OG 2.88Å |
| 120 | S | 53.8 | Low | 62.6 | Low | 44 Ų | 44 | 79 Ų | 79 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74 | -28.1 | 176.2 | 55.2 | 0 | 0 | 0 | 0 | 115.5 | L118 A124 | L118-S120 PolarHBondContact O-N 2.85Å; S120-A124 WeakPolarHBondContact O-CB 3.44Å; S120-A124 PolarHBondContact O-N 3.38Å |
| 121 | W | 63.5 | Low | 64.9 | Low | 12 Ų | 12 | 77.1 Ų | 77.1 | 5% | 0.045 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -84.8 | -38.3 | 178.7 | -67.6 | -9.9 | 0 | 0 | 0 | 111.9 | L118 S123 A124 C190 F286 Y290 P302 | L118-W121 HydrophobicContact CB-CD2 4.43Å; L118-W121 HydrophobicContact CB-CG 4.39Å; L118-W121 HydrophobicContact CD1-CD2 3.88Å; L118-W121 HydrophobicContact CD1-CE3 4.19Å; L118-W121 HydrophobicContact CD1-CG 4.45Å; L118-W121 HydrophobicContact CD1-CH2 4Å; L118-W121 HydrophobicContact CD1-CZ2 3.72Å; L118-W121 HydrophobicContact CD1-CZ3 4.24Å; L118-W121 PolarHBondContact O-N 3.23Å; W121-S123 PolarHBondContact O-N 2.79Å; W121-A124 PolarHBondContact O-N 3.33Å; W121-C190 HydrophobicContact CH2-CB 3.43Å; W121-C190 VanDerWaalsContact CH2-CB 3.43Å; W121-C190 HydrophobicContact CZ2-CB 4.07Å; W121-C190 HydrophobicContact CZ3-CB 4.16Å; W121-F286 AromaticContact CE3-CE1 3.98Å; W121-F286 HydrophobicContact CE3-CE1 3.98Å; W121-F286 HydrophobicContact CE3-CZ 4.12Å; W121-F286 HydrophobicContact CH2-CZ 4.45Å; W121-F286 HydrophobicContact CZ3-CE1 4Å; W121-F286 AromaticContact CZ3-CZ 3.66Å; W121-F286 HydrophobicContact CZ3-CZ 3.66Å; W121-Y290 HydrophobicContact CH2-CE2 4.14Å; W121-Y290 HydrophobicContact CZ3-CD2 4.07Å; W121-Y290 AromaticContact CZ3-CE2 3.65Å; W121-Y290 HydrophobicContact CZ3-CE2 3.65Å; W121-P302 HydrophobicContact CH2-CB 4.45Å; W121-P302 HydrophobicContact CH2-CG 3.88Å; W121-P302 HydrophobicContact CZ2-CB 3.86Å; W121-P302 HydrophobicContact CZ2-CG 3.79Å |
| 122 | A | 56.6 | Low | 67.2 | Low | 66 Ų | 66 | 77.2 Ų | 77.2 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | L118 | L118-A122 PolarHBondContact O-N 2.91Å |
| 123 | S | 57 | Low | 69.7 | Low | 84 Ų | 84 | 77.5 Ų | 77.5 | 59% | 0.587 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 1.5 | -179.8 | -48.8 | 0 | 0 | 0 | 0 | 114.3 | H119 W121 | H119-S123 WeakPolarHBondContact O-CB 3.22Å; H119-S123 PolarHBondContact O-N 3.12Å; H119-S123 PolarHBondContact O-OG 2.88Å; W121-S123 PolarHBondContact O-N 2.79Å |
| 124 | A | 68.9 | Low | 72.1 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 26% | 0.264 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -64.4 | 141.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S120 W121 K126 | S120-A124 WeakPolarHBondContact O-CB 3.44Å; S120-A124 PolarHBondContact O-N 3.38Å; W121-A124 PolarHBondContact O-N 3.33Å; A124-K126 PolarHBondContact O-N 3.11Å |
| 125 | E | 78.4 | Confident | 74.5 | Confident | 136 Ų | 136 | 71.1 Ų | 71.1 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | trans | -58.7 | 132.2 | 167.3 | -171.5 | 173.7 | -173.2 | 0 | 0 | 107.9 | P127 K130 | E125-P127 VanDerWaalsContact O-CD 3.24Å; E125-P127 WeakPolarHBondContact O-CD 3.41Å; E125-K130 IonicContact OE1-NZ 2.67Å; E125-K130 PolarHBondContact OE1-NZ 2.89Å | ||
| 126 | K | 86.8 | Confident | 76.5 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 16% | 0.161 | 42% | 0.415 | C | S | . | . | trans | -108.7 | 89.8 | -178.4 | -73 | 170.8 | 171.4 | -160.2 | 0 | 109 | A124 Y128 L129 D283 | A124-K126 PolarHBondContact O-N 3.11Å; K126-Y128 HydrophobicContact CB-CD1 4.05Å; K126-Y128 HydrophobicContact CB-CE1 3.68Å; K126-Y128 HydrophobicContact CD-CE1 3.95Å; K126-Y128 WeakPolarHBondContact CD-OH 3.32Å; K126-Y128 HydrophobicContact CG-CE1 3.77Å; K126-Y128 PolarHBondContact O-N 3.3Å; K126-Y128 VanDerWaalsContact O-N 3.17Å; K126-L129 HydrophobicContact CB-CD1 3.89Å; K126-L129 HydrophobicContact CB-CG 4.1Å; K126-L129 HydrophobicContact CD-CD1 4.43Å; K126-L129 PolarHBondContact O-N 3.23Å; K126-L129 VanDerWaalsContact O-N 3.15Å; K126-D283 IonicContact NZ-OD2 2.73Å; K126-D283 PolarHBondContact NZ-OD2 3.41Å | ||
| 127 | P | 88.6 | Confident | 78.5 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 28% | 0.279 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -56.7 | -33.1 | -176.7 | -25.7 | 34.6 | 0 | 0 | 0 | 112.9 | E125 L129 K130 D131 W249 | E125-P127 VanDerWaalsContact O-CD 3.24Å; E125-P127 WeakPolarHBondContact O-CD 3.41Å; P127-L129 PolarHBondContact O-N 3.34Å; P127-K130 PolarHBondContact O-N 3.05Å; P127-D131 PolarHBondContact O-N 3.03Å; P127-W249 WeakPolarHBondContact CD-O 3.38Å |
| 128 | Y | 89.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.008 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -57.2 | -24.3 | -179.7 | 72.9 | -110.5 | 0 | 0 | 0 | 114.2 | K126 K130 W249 G276 Q277 V279 E280 D283 | K126-Y128 HydrophobicContact CB-CD1 4.05Å; K126-Y128 HydrophobicContact CB-CE1 3.68Å; K126-Y128 HydrophobicContact CD-CE1 3.95Å; K126-Y128 WeakPolarHBondContact CD-OH 3.32Å; K126-Y128 HydrophobicContact CG-CE1 3.77Å; K126-Y128 PolarHBondContact O-N 3.3Å; K126-Y128 VanDerWaalsContact O-N 3.17Å; Y128-K130 PolarHBondContact O-N 2.69Å; Y128-W249 WeakPolarHBondContact CB-O 3.35Å; Y128-W249 HydrophobicContact CD1-CB 4Å; Y128-W249 WeakPolarHBondContact CD1-O 3.45Å; Y128-W249 HydrophobicContact CE1-CB 4.29Å; Y128-W249 HydrophobicContact CE1-CE3 4.39Å; Y128-W249 PolarHBondContact N-O 3.2Å; Y128-G276 WeakPolarHBondContact CB-O 3.26Å; Y128-G276 CarbonylContact O-C 3.59Å; Y128-G276 WeakPolarHBondContact O-CA 3.41Å; Y128-Q277 PolarHBondContact O-N 2.78Å; Y128-V279 HydrophobicContact CD1-CB 3.98Å; Y128-V279 HydrophobicContact CD1-CG1 3.56Å; Y128-V279 HydrophobicContact CD2-CB 4.07Å; Y128-V279 HydrophobicContact CD2-CG1 4.48Å; Y128-V279 HydrophobicContact CE1-CG1 4.02Å; Y128-V279 HydrophobicContact CG-CB 3.7Å; Y128-V279 HydrophobicContact CG-CG1 3.84Å; Y128-V279 HydrophobicContact CG-CG2 4.42Å; Y128-E280 HydrophobicContact CE2-CB 3.76Å; Y128-E280 HydrophobicContact CE2-CG 4.36Å; Y128-D283 PolarHBondContact OH-OD2 2.83Å |
| 129 | L | 89.7 | Confident | 82.1 | Confident | 83 Ų | 83 | 75.9 Ų | 75.9 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -67.9 | -25.6 | 178.4 | -69.5 | 173.9 | 0 | 0 | 0 | 112.8 | K126 P127 | K126-L129 HydrophobicContact CB-CD1 3.89Å; K126-L129 HydrophobicContact CB-CG 4.1Å; K126-L129 HydrophobicContact CD-CD1 4.43Å; K126-L129 PolarHBondContact O-N 3.23Å; K126-L129 VanDerWaalsContact O-N 3.15Å; P127-L129 PolarHBondContact O-N 3.34Å |
| 130 | K | 90 | Very high | 83.9 | Confident | 160 Ų | 160 | 69.9 Ų | 69.9 | 70% | 0.696 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -25.3 | -178.6 | -61.3 | 173.1 | -177 | 169.3 | 0 | 112.3 | E125 P127 Y128 | E125-K130 IonicContact OE1-NZ 2.67Å; E125-K130 PolarHBondContact OE1-NZ 2.89Å; P127-K130 PolarHBondContact O-N 3.05Å; Y128-K130 PolarHBondContact O-N 2.69Å |
| 131 | D | 91.4 | Very high | 85 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 35% | 0.348 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -81.1 | 148.1 | -174 | -75.7 | -11.9 | 0 | 0 | 0 | 112.5 | P127 S133 G276 | P127-D131 PolarHBondContact O-N 3.03Å; D131-S133 PolarHBondContact O-N 3.28Å; D131-G276 VanDerWaalsContact O-CA 3.22Å; D131-G276 WeakPolarHBondContact O-CA 3.4Å |
| 132 | K | 93 | Very high | 84.8 | Confident | 191 Ų | 191 | 77.8 Ų | 77.8 | 83% | 0.83 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 133.1 | 175.5 | -172 | 176.7 | -180 | 178.5 | 0 | 110.6 | S134 T275 | K132-S134 PolarHBondContact O-N 3.42Å; K132-T275 PolarHBondContact O-OG1 2.98Å |
| 133 | S | 96.2 | Very high | 85 | Confident | 66 Ų | 66 | 83.3 Ų | 83.3 | 46% | 0.462 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 130.5 | 175.7 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | D131 T275 A278 | D131-S133 PolarHBondContact O-N 3.28Å; S133-T275 VanDerWaalsContact CA-O 3.29Å; S133-T275 WeakPolarHBondContact CA-O 3.45Å; S133-A278 WeakPolarHBondContact OG-CB 3.32Å |
| 134 | S | 96.8 | Very high | 84.8 | Confident | 52 Ų | 52 | 85.9 Ų | 85.9 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.6 | 172.9 | 82.6 | 0 | 0 | 0 | 0 | 111.4 | K132 F274 T275 | K132-S134 PolarHBondContact O-N 3.42Å; S134-F274 WeakPolarHBondContact O-CA 3.46Å; S134-T275 PolarHBondContact N-O 3.1Å; S134-T275 PolarHBondContact N-OG1 3.14Å; S134-T275 PolarHBondContact O-N 3.31Å; S134-T275 PolarHBondContact OG-OG1 3.37Å |
| 135 | A | 97.7 | Very high | 84.4 | Confident | 70 Ų | 70 | 88 Ų | 88 | 58% | 0.579 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.2 | 174 | 0 | 0 | 0 | 0 | 0 | 109.2 | K273 F274 | A135-K273 CarbonylContact C-O 3.57Å; A135-K273 VanDerWaalsContact CA-O 3.31Å; A135-K273 WeakPolarHBondContact CA-O 3.23Å; A135-F274 HydrophobicContact CB-CD1 3.82Å; A135-F274 HydrophobicContact CB-CE1 3.82Å |
| 136 | T | 96.3 | Very high | 84.5 | Confident | 60 Ų | 60 | 84.3 Ų | 84.3 | 37% | 0.368 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.5 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | Y138 S272 K273 | T136-Y138 HydrophobicContact CG2-CE1 4.19Å; T136-Y138 HydrophobicContact CG2-CE2 3.95Å; T136-S272 CarbonylContact O-C 3.05Å; T136-S272 WeakPolarHBondContact O-CA 3.29Å; T136-K273 PolarHBondContact N-O 2.97Å; T136-K273 PolarHBondContact O-N 3.41Å |
| 137 | V | 96.2 | Very high | 84.8 | Confident | 74 Ų | 74 | 82.6 Ų | 82.6 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.9 | 179.7 | -175 | 0 | 0 | 0 | 0 | 110.1 | F139 I270 L271 | V137-F139 HydrophobicContact CB-CE2 4.4Å; V137-F139 HydrophobicContact CG1-CD2 4.29Å; V137-F139 HydrophobicContact CG1-CE1 4.3Å; V137-F139 HydrophobicContact CG1-CE2 3.68Å; V137-F139 HydrophobicContact CG1-CZ 3.68Å; V137-I270 HydrophobicContact CG1-CD1 3.84Å; V137-I270 HydrophobicContact CG1-CG1 3.9Å; V137-L271 CarbonylContact C-O 3.57Å |
| 138 | Y | 94 | Very high | 85 | Confident | 30 Ų | 30 | 81.6 Ų | 81.6 | 12% | 0.118 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.7 | 177.2 | -56.4 | -86.6 | 0 | 0 | 0 | 109 | T136 L150 L271 K273 | T136-Y138 HydrophobicContact CG2-CE1 4.19Å; T136-Y138 HydrophobicContact CG2-CE2 3.95Å; Y138-L150 HydrophobicContact CD1-CD1 3.62Å; Y138-L150 HydrophobicContact CD2-CD1 3.98Å; Y138-L150 HydrophobicContact CE1-CD1 4.16Å; Y138-L150 HydrophobicContact CE2-CD1 4.48Å; Y138-L150 HydrophobicContact CG-CD1 3.51Å; Y138-L271 PolarHBondContact N-O 2.62Å; Y138-L271 PolarHBondContact O-N 3.34Å; Y138-K273 HydrophobicContact CE2-CB 3.77Å |
| 139 | F | 92.4 | Very high | 85.2 | Confident | 122 Ų | 122 | 85.1 Ų | 85.1 | 54% | 0.535 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 141 | 170.4 | -62.1 | -81.7 | 0 | 0 | 0 | 108.7 | V137 T141 I270 | V137-F139 HydrophobicContact CB-CE2 4.4Å; V137-F139 HydrophobicContact CG1-CD2 4.29Å; V137-F139 HydrophobicContact CG1-CE1 4.3Å; V137-F139 HydrophobicContact CG1-CE2 3.68Å; V137-F139 HydrophobicContact CG1-CZ 3.68Å; F139-T141 PolarHBondContact O-N 2.86Å; F139-I270 HydrophobicContact CD1-CD1 4.14Å; F139-I270 HydrophobicContact CD1-CG1 4.07Å; F139-I270 HydrophobicContact CE1-CD1 3.46Å; F139-I270 VanDerWaalsContact CE1-CD1 3.46Å; F139-I270 HydrophobicContact CE1-CG1 3.89Å; F139-I270 HydrophobicContact CZ-CD1 4Å |
| 140 | Q | 85.4 | Confident | 85.4 | Confident | 38 Ų | 38 | 81.6 Ų | 81.6 | 18% | 0.178 | 42% | 0.422 | C | S | . | . | trans | -63 | 119.5 | 173.7 | -170.9 | 166.6 | -23.4 | 0 | 0 | 109.9 | I147 H267 R268 N269 | Q140-I147 HydrophobicContact CB-CG1 3.92Å; Q140-I147 HydrophobicContact CG-CG1 4.5Å; Q140-H267 PolarHBondContact NE2-O 3.32Å; Q140-H267 PolarHBondContact OE1-O 3.38Å; Q140-H267 VanDerWaalsContact OE1-O 3.05Å; Q140-R268 HydrophobicContact CB-CG 4.13Å; Q140-R268 PolarHBondContact O-NH1 3.17Å; Q140-R268 PolarHBondContact O-NH2 3.48Å; Q140-N269 PolarHBondContact N-O 2.93Å | ||
| 141 | T | 77.3 | Confident | 85.8 | Confident | 66 Ų | 66 | 74 Ų | 74 | 41% | 0.405 | 39% | 0.389 | S | S | . | . | trans | -127.7 | 153.8 | 173.3 | 81.6 | 0 | 0 | 0 | 0 | 110.4 | F139 K143 H144 | F139-T141 PolarHBondContact O-N 2.86Å; T141-K143 PolarHBondContact O-N 3.12Å; T141-K143 VanDerWaalsContact O-N 3.07Å; T141-H144 PolarHBondContact OG1-N 2.83Å; T141-H144 PolarHBondContact OG1-O 3.06Å | ||
| 142 | D | 59.6 | Low | 86.1 | Confident | 157 Ų | 157 | 73.9 Ų | 73.9 | 84% | 0.84 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -68.8 | -9.2 | -170.4 | -51.2 | -26.2 | 0 | 0 | 0 | 114.1 | ||
| 143 | K | 60.8 | Low | 86.2 | Confident | 182 Ų | 182 | 68.6 Ų | 68.6 | 79% | 0.791 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -125.5 | -34 | -171.2 | -63.2 | -176.9 | -179.8 | -179.3 | 0 | 114.1 | T141 | T141-K143 PolarHBondContact O-N 3.12Å; T141-K143 VanDerWaalsContact O-N 3.07Å |
| 144 | H | 51.7 | Low | 86.3 | Confident | 138 Ų | 138 | 65.5 Ų | 65.5 | 64% | 0.639 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -144 | 140.2 | -177.9 | -59.2 | -60.9 | 0 | 0 | 0 | 110.8 | T141 | T141-H144 PolarHBondContact OG1-N 2.83Å; T141-H144 PolarHBondContact OG1-O 3.06Å |
| 145 | N | 59.9 | Low | 86.4 | Confident | 77 Ų | 77 | 63 Ų | 63 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | trans | 74.5 | 65.5 | -178.5 | -45.1 | -53.8 | 0 | 0 | 0 | 115 | I147 | N145-I147 PolarHBondContact O-N 3.04Š| ||
| 146 | N | 81.4 | Confident | 86.4 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 31% | 0.31 | 31% | 0.308 | S | S | . | . | trans | -65.3 | 116.6 | 161.1 | -178 | 0.2 | 0 | 0 | 0 | 108.4 | R148 D149 L150 | N146-R148 PolarHBondContact O-N 3.03Å; N146-R148 VanDerWaalsContact OD1-CB 3.24Å; N146-R148 WeakPolarHBondContact OD1-CB 3.19Å; N146-R148 PolarHBondContact OD1-N 2.77Å; N146-D149 HydrophobicContact CB-CB 4.03Å; N146-D149 WeakPolarHBondContact CB-OD2 3.41Å; N146-D149 PolarHBondContact ND2-OD1 3.2Å; N146-D149 VanDerWaalsContact ND2-OD1 3.08Å; N146-D149 WeakPolarHBondContact O-CB 3.44Å; N146-D149 PolarHBondContact O-N 3.14Å; N146-L150 PolarHBondContact O-N 3.12Å; N146-L150 VanDerWaalsContact O-N 3.13Å | ||
| 147 | I | 92.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.7 | -37.5 | 179.4 | -60.7 | -68 | 0 | 0 | 0 | 110.4 | Q140 N145 D149 L150 V151 Y257 N269 L271 | Q140-I147 HydrophobicContact CB-CG1 3.92Å; Q140-I147 HydrophobicContact CG-CG1 4.5Å; N145-I147 PolarHBondContact O-N 3.04Å; I147-D149 PolarHBondContact O-N 3.11Å; I147-L150 PolarHBondContact O-N 3.31Å; I147-V151 WeakPolarHBondContact O-CG2 3.35Å; I147-V151 PolarHBondContact O-N 2.85Å; I147-V151 VanDerWaalsContact O-N 3.09Å; I147-Y257 HydrophobicContact CB-CD2 4.43Å; I147-Y257 HydrophobicContact CG2-CD2 3.7Å; I147-Y257 HydrophobicContact CG2-CG 4.04Å; I147-N269 HydrophobicContact CB-CB 4.38Å; I147-N269 HydrophobicContact CG1-CB 4.29Å; I147-N269 HydrophobicContact CG2-CB 4.01Å; I147-L271 HydrophobicContact CD1-CB 3.71Å; I147-L271 HydrophobicContact CG2-CB 4.05Å; I147-L271 HydrophobicContact CG2-CD2 4.28Å |
| 148 | R | 93.8 | Very high | 86.4 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 9% | 0.087 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 173.8 | -173.1 | 176.6 | -157.8 | -144.1 | -4.8 | 111.6 | N146 L150 V151 R152 D171 E173 Y257 H265 | N146-R148 PolarHBondContact O-N 3.03Å; N146-R148 VanDerWaalsContact OD1-CB 3.24Å; N146-R148 WeakPolarHBondContact OD1-CB 3.19Å; N146-R148 PolarHBondContact OD1-N 2.77Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.63Å; R148-V151 PolarHBondContact O-N 3.04Å; R148-R152 HydrophobicContact CG-CG 4.45Å; R148-R152 WeakPolarHBondContact O-CG 3.27Å; R148-R152 PolarHBondContact O-N 3.25Å; R148-D171 IonicContact CZ-OD2 3.68Å; R148-D171 IonicContact NE-OD2 2.78Å; R148-D171 IonicContact NH2-OD1 3.86Å; R148-D171 IonicContact NH2-OD2 3.64Å; R148-D171 PolarHBondContact NH2-OD2 3.38Å; R148-D171 VanDerWaalsContact NH2-OD2 3.13Å; R148-E173 IonicContact CZ-OE2 3.04Å; R148-E173 VanDerWaalsContact CZ-OE2 3.26Å; R148-E173 IonicContact NH1-OE2 2.62Å; R148-E173 PolarHBondContact NH1-OE2 3.37Å; R148-E173 VanDerWaalsContact NH2-CD 3.35Å; R148-E173 IonicContact NH2-OE2 2.91Å; R148-E173 PolarHBondContact NH2-OE2 2.85Å; R148-Y257 HydrophobicContact CB-CE2 4.19Å; R148-Y257 WeakPolarHBondContact CG-OH 3.43Å; R148-H265 VanDerWaalsContact CZ-CE1 3.48Å; R148-H265 PolarHBondContact NH1-CE1 3.26Å; R148-H265 PolarHBondContact NH1-NE2 2.99Å; R148-H265 VanDerWaalsContact NH1-NE2 3.15Å |
| 149 | D | 92.9 | Very high | 86.5 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -35 | -179.3 | -62.8 | -6.8 | 0 | 0 | 0 | 111.8 | N146 I147 R153 | N146-D149 HydrophobicContact CB-CB 4.03Å; N146-D149 WeakPolarHBondContact CB-OD2 3.41Å; N146-D149 PolarHBondContact ND2-OD1 3.2Å; N146-D149 VanDerWaalsContact ND2-OD1 3.08Å; N146-D149 WeakPolarHBondContact O-CB 3.44Å; N146-D149 PolarHBondContact O-N 3.14Å; I147-D149 PolarHBondContact O-N 3.11Å; D149-R153 WeakPolarHBondContact O-CB 3.47Å; D149-R153 PolarHBondContact O-N 2.78Å |
| 150 | L | 94.9 | Very high | 86.5 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 175.4 | -67.9 | 173.7 | 0 | 0 | 0 | 111.5 | Y138 N146 I147 R148 C154 L271 F335 | Y138-L150 HydrophobicContact CD1-CD1 3.62Å; Y138-L150 HydrophobicContact CD2-CD1 3.98Å; Y138-L150 HydrophobicContact CE1-CD1 4.16Å; Y138-L150 HydrophobicContact CE2-CD1 4.48Å; Y138-L150 HydrophobicContact CG-CD1 3.51Å; N146-L150 PolarHBondContact O-N 3.12Å; N146-L150 VanDerWaalsContact O-N 3.13Å; I147-L150 PolarHBondContact O-N 3.31Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.63Å; L150-C154 WeakPolarHBondContact O-CB 3.45Å; L150-C154 PolarHBondContact O-N 2.87Å; L150-L271 HydrophobicContact CB-CD2 3.86Å; L150-L271 HydrophobicContact CD1-CD2 4.14Å; L150-F335 HydrophobicContact CB-CE1 4.41Å; L150-F335 HydrophobicContact CD2-CD1 3.4Å; L150-F335 HydrophobicContact CD2-CE1 3.74Å; L150-F335 HydrophobicContact CD2-CG 4.36Å |
| 151 | V | 97.4 | Very high | 86.9 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -51 | 175.8 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | I147 R148 R153 C154 I155 I174 I245 Y257 F259 L271 | I147-V151 WeakPolarHBondContact O-CG2 3.35Å; I147-V151 PolarHBondContact O-N 2.85Å; I147-V151 VanDerWaalsContact O-N 3.09Å; R148-V151 PolarHBondContact O-N 3.04Å; V151-R153 VanDerWaalsContact C-N 3.34Å; V151-R153 PolarHBondContact O-N 2.9Å; V151-C154 VanDerWaalsContact O-CB 3.23Å; V151-C154 WeakPolarHBondContact O-CB 3.06Å; V151-C154 PolarHBondContact O-N 2.73Å; V151-C154 VanDerWaalsContact O-N 3.13Å; V151-I155 HydrophobicContact CG1-CD1 4.12Å; V151-I155 WeakPolarHBondContact O-CG1 2.75Å; V151-I155 PolarHBondContact O-N 2.9Å; V151-I155 VanDerWaalsContact O-N 3.16Å; V151-I174 HydrophobicContact CG1-CD1 4.32Å; V151-I245 HydrophobicContact CG1-CD1 3.94Å; V151-Y257 HydrophobicContact CG1-CE1 4.4Å; V151-Y257 HydrophobicContact CG2-CD1 4.04Å; V151-Y257 HydrophobicContact CG2-CE1 4.42Å; V151-Y257 HydrophobicContact CG2-CG 4.45Å; V151-F259 HydrophobicContact CG1-CE1 3.66Å; V151-F259 HydrophobicContact CG1-CZ 4.2Å; V151-L271 HydrophobicContact CG2-CD1 4.48Å; V151-L271 HydrophobicContact CG2-CD2 4.27Å |
| 152 | R | 97.3 | Very high | 87.9 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 23% | 0.234 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 177.6 | -67.6 | -169.1 | 74.6 | 151.9 | 8 | 112.3 | R148 C154 I155 T156 E173 I174 D177 | R148-R152 HydrophobicContact CG-CG 4.45Å; R148-R152 WeakPolarHBondContact O-CG 3.27Å; R148-R152 PolarHBondContact O-N 3.25Å; R152-C154 VanDerWaalsContact C-N 3.28Å; R152-C154 PolarHBondContact O-N 2.88Å; R152-I155 PolarHBondContact O-N 3.15Å; R152-T156 WeakPolarHBondContact O-CB 3.46Å; R152-T156 VanDerWaalsContact O-CG2 3.29Å; R152-T156 WeakPolarHBondContact O-CG2 3.41Å; R152-T156 PolarHBondContact O-N 2.94Å; R152-T156 PolarHBondContact O-OG1 2.82Å; R152-E173 IonicContact CZ-OE2 3.95Å; R152-E173 IonicContact NH1-OE2 3.26Å; R152-E173 PolarHBondContact NH1-OE2 3.49Å; R152-I174 HydrophobicContact CG-CD1 3.4Å; R152-I174 VanDerWaalsContact CG-CD1 3.4Å; R152-D177 WeakPolarHBondContact CB-OD2 3.49Å; R152-D177 VanDerWaalsContact CG-OD2 3.31Å; R152-D177 WeakPolarHBondContact CG-OD2 3.44Å; R152-D177 IonicContact CZ-OD1 3.49Å; R152-D177 IonicContact CZ-OD2 2.69Å; R152-D177 IonicContact NE-OD1 2.84Å; R152-D177 IonicContact NE-OD2 3.32Å; R152-D177 PolarHBondContact NE-OD2 3.17Å; R152-D177 IonicContact NH2-OD1 3.95Å; R152-D177 PolarHBondContact NH2-OD1 3.44Å; R152-D177 IonicContact NH2-OD2 3.26Å; R152-D177 PolarHBondContact NH2-OD2 3.12Å |
| 153 | R | 96.5 | Very high | 89.7 | Confident | 80 Ų | 80 | 53.7 Ų | 53.7 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.7 | -33.7 | 176.3 | -170.8 | 179.3 | -57 | 174.5 | 4.9 | 112.3 | D149 V151 T156 R157 P334 | D149-R153 WeakPolarHBondContact O-CB 3.47Å; D149-R153 PolarHBondContact O-N 2.78Å; V151-R153 VanDerWaalsContact C-N 3.34Å; V151-R153 PolarHBondContact O-N 2.9Å; R153-T156 VanDerWaalsContact CA-OG1 3.3Å; R153-T156 WeakPolarHBondContact CA-OG1 3.21Å; R153-T156 PolarHBondContact O-OG1 3.3Å; R153-R157 HydrophobicContact CG-CG 4.33Å; R153-R157 VanDerWaalsContact O-CB 3.27Å; R153-R157 WeakPolarHBondContact O-CB 3.4Å; R153-R157 VanDerWaalsContact O-CG 3.24Å; R153-R157 WeakPolarHBondContact O-CG 3.28Å; R153-R157 PolarHBondContact O-N 2.73Å; R153-P334 WeakPolarHBondContact CD-O 3.4Å |
| 154 | C | 97.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.5 | -57.6 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | L150 V151 R152 T156 R157 T158 F251 L253 | L150-C154 WeakPolarHBondContact O-CB 3.45Å; L150-C154 PolarHBondContact O-N 2.87Å; V151-C154 VanDerWaalsContact O-CB 3.23Å; V151-C154 WeakPolarHBondContact O-CB 3.06Å; V151-C154 PolarHBondContact O-N 2.73Å; V151-C154 VanDerWaalsContact O-N 3.13Å; R152-C154 VanDerWaalsContact C-N 3.28Å; R152-C154 PolarHBondContact O-N 2.88Å; C154-T156 VanDerWaalsContact C-N 3.35Å; C154-T156 PolarHBondContact O-N 3.05Å; C154-R157 PolarHBondContact O-N 2.94Å; C154-R157 VanDerWaalsContact O-N 3.14Å; C154-T158 PolarHBondContact O-N 2.86Å; C154-T158 VanDerWaalsContact O-N 3.1Å; C154-T158 PolarHBondContact O-OG1 3.22Å; C154-F251 HydrophobicContact CB-CE2 4.38Å; C154-F251 HydrophobicContact CB-CZ 4.49Å; C154-F251 WeakPolarHBondContact SG-CE2 3.23Å; C154-L253 HydrophobicContact CB-CD1 3.44Å; C154-L253 VanDerWaalsContact CB-CD1 3.44Å |
| 155 | I | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | -176.2 | -60.5 | 168 | 0 | 0 | 0 | 111.7 | V151 R152 R157 L162 I174 D177 I178 R185 F259 | V151-I155 HydrophobicContact CG1-CD1 4.12Å; V151-I155 WeakPolarHBondContact O-CG1 2.75Å; V151-I155 PolarHBondContact O-N 2.9Å; V151-I155 VanDerWaalsContact O-N 3.16Å; R152-I155 PolarHBondContact O-N 3.15Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.4Å; I155-L162 HydrophobicContact CB-CD2 4.42Å; I155-L162 HydrophobicContact CG1-CD2 4.25Å; I155-L162 HydrophobicContact CG2-CD2 3.92Å; I155-I174 HydrophobicContact CD1-CG2 3.7Å; I155-D177 HydrophobicContact CB-CB 4.4Å; I155-D177 HydrophobicContact CG2-CB 3.78Å; I155-I178 HydrophobicContact CD1-CG1 4.41Å; I155-I178 HydrophobicContact CG2-CG1 3.93Å; I155-R185 PolarHBondContact O-NH1 3.25Å; I155-R185 PolarHBondContact O-NH2 3.47Å; I155-F259 HydrophobicContact CD1-CZ 4.34Å |
| 156 | T | 97.6 | Very high | 95.6 | Very high | 55 Ų | 55 | 35 Ų | 35 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -70.2 | -24 | -179.7 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | R152 R153 C154 D177 R185 | R152-T156 WeakPolarHBondContact O-CB 3.46Å; R152-T156 VanDerWaalsContact O-CG2 3.29Å; R152-T156 WeakPolarHBondContact O-CG2 3.41Å; R152-T156 PolarHBondContact O-N 2.94Å; R152-T156 PolarHBondContact O-OG1 2.82Å; R153-T156 VanDerWaalsContact CA-OG1 3.3Å; R153-T156 WeakPolarHBondContact CA-OG1 3.21Å; R153-T156 PolarHBondContact O-OG1 3.3Å; C154-T156 VanDerWaalsContact C-N 3.35Å; C154-T156 PolarHBondContact O-N 3.05Å; T156-D177 HydrophobicContact CG2-CB 4.33Å; T156-R185 PolarHBondContact O-NH1 3.32Å |
| 157 | R | 96.8 | Very high | 96.4 | Very high | 127 Ų | 127 | 33.4 Ų | 33.4 | 48% | 0.479 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -98.1 | -7.8 | 179.1 | -68 | -174 | 179.9 | -152.9 | 3.8 | 114.7 | R153 C154 I155 S159 P334 | R153-R157 HydrophobicContact CG-CG 4.33Å; R153-R157 VanDerWaalsContact O-CB 3.27Å; R153-R157 WeakPolarHBondContact O-CB 3.4Å; R153-R157 VanDerWaalsContact O-CG 3.24Å; R153-R157 WeakPolarHBondContact O-CG 3.28Å; R153-R157 PolarHBondContact O-N 2.73Å; C154-R157 PolarHBondContact O-N 2.94Å; C154-R157 VanDerWaalsContact O-N 3.14Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.4Å; R157-S159 PolarHBondContact O-OG 2.78Å; R157-P334 VanDerWaalsContact NH1-C 3.32Å; R157-P334 VanDerWaalsContact NH1-CA 3.31Å; R157-P334 PolarHBondContact NH1-O 2.91Å |
| 158 | T | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | trans | -59.3 | 138.9 | 175.1 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | C154 V161 L162 R185 V187 S247 D248 | C154-T158 PolarHBondContact O-N 2.86Å; C154-T158 VanDerWaalsContact O-N 3.1Å; C154-T158 PolarHBondContact O-OG1 3.22Å; T158-V161 WeakPolarHBondContact CG2-O 3.46Å; T158-L162 HydrophobicContact CG2-CB 4Å; T158-L162 HydrophobicContact CG2-CD1 4.26Å; T158-R185 PolarHBondContact O-NH1 2.89Å; T158-V187 HydrophobicContact CG2-CG1 3.77Å; T158-S247 WeakPolarHBondContact CB-OG 3.24Å; T158-S247 WeakPolarHBondContact CG2-OG 3.4Å; T158-S247 PolarHBondContact OG1-OG 3.18Å; T158-D248 WeakPolarHBondContact CA-OD2 3.5Å; T158-D248 WeakPolarHBondContact CG2-OD1 3.45Å | ||
| 159 | S | 94.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 57% | 0.573 | 17% | 0.171 | S | C | * | . | trans | -110.4 | -33.9 | -171.1 | -59.6 | 0 | 0 | 0 | 0 | 114.1 | R157 D248 | R157-S159 PolarHBondContact O-OG 2.78Å; S159-D248 VanDerWaalsContact N-CG 3.33Å; S159-D248 PolarHBondContact N-OD1 3.08Å; S159-D248 PolarHBondContact N-OD2 2.88Å | ||
| 160 | Q | 92.4 | Very high | 97.1 | Very high | 142 Ų | 142 | 33.2 Ų | 33.2 | 66% | 0.664 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -129.3 | -51.8 | -170.6 | -64.3 | -176.1 | 74.5 | 0 | 0 | 112 | F188 D248 | Q160-F188 PolarHBondContact O-N 3.32Å; Q160-D248 PolarHBondContact N-OD1 3.05Å |
| 161 | V | 94.9 | Very high | 97.3 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 136.2 | -172.1 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | T158 V163 F188 D248 W249 | T158-V161 WeakPolarHBondContact CG2-O 3.46Å; V161-V163 HydrophobicContact CG2-CG2 4.47Å; V161-F188 CarbonylContact C-O 3.45Å; V161-F188 WeakPolarHBondContact CA-O 3.49Å; V161-D248 PolarHBondContact N-OD1 2.9Å; V161-D248 VanDerWaalsContact N-OD1 3.15Å; V161-D248 PolarHBondContact O-N 3.28Å; V161-W249 HydrophobicContact CG1-CG 4.39Å |
| 162 | L | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 117.1 | 178.8 | -171.7 | 60.9 | 0 | 0 | 0 | 109.5 | I155 T158 I164 I178 V187 F188 V189 C190 I245 | I155-L162 HydrophobicContact CB-CD2 4.42Å; I155-L162 HydrophobicContact CG1-CD2 4.25Å; I155-L162 HydrophobicContact CG2-CD2 3.92Å; T158-L162 HydrophobicContact CG2-CB 4Å; T158-L162 HydrophobicContact CG2-CD1 4.26Å; L162-I164 HydrophobicContact CD2-CD1 3.88Å; L162-I164 HydrophobicContact CD2-CG1 4.49Å; L162-I164 HydrophobicContact CG-CD1 4Å; L162-I164 HydrophobicContact CG-CG1 4.09Å; L162-I178 HydrophobicContact CD2-CG1 4.45Å; L162-V187 HydrophobicContact CB-CG1 4.03Å; L162-F188 PolarHBondContact N-O 3.31Å; L162-V189 HydrophobicContact CB-CB 4.48Å; L162-V189 HydrophobicContact CB-CG1 4.22Å; L162-V189 HydrophobicContact CB-CG2 4.12Å; L162-V189 HydrophobicContact CD2-CG1 4.16Å; L162-V189 HydrophobicContact CD2-CG2 4.34Å; L162-V189 HydrophobicContact CG-CG1 4.36Å; L162-V189 CarbonylContact O-C 3.56Å; L162-V189 VanDerWaalsContact O-CA 3.31Å; L162-V189 WeakPolarHBondContact O-CA 3.46Å; L162-C190 PolarHBondContact O-N 3.14Å; L162-I245 HydrophobicContact CD1-CG2 3.44Å; L162-I245 VanDerWaalsContact CD1-CG2 3.44Å; L162-I245 HydrophobicContact CG-CG2 4.48Å |
| 163 | V | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133 | 173.4 | 171.3 | 0 | 0 | 0 | 0 | 108.7 | V161 C190 I245 I246 W249 F286 | V161-V163 HydrophobicContact CG2-CG2 4.47Å; V163-C190 CarbonylContact C-O 3.52Å; V163-C190 WeakPolarHBondContact CA-O 3.47Å; V163-I245 CarbonylContact O-C 3.6Å; V163-I245 VanDerWaalsContact O-CA 3.28Å; V163-I245 WeakPolarHBondContact O-CA 3.49Å; V163-I246 HydrophobicContact CB-CB 4.07Å; V163-I246 HydrophobicContact CB-CG1 4.29Å; V163-I246 HydrophobicContact CG1-CD1 4.34Å; V163-I246 HydrophobicContact CG1-CG1 4.36Å; V163-I246 PolarHBondContact N-O 3.49Å; V163-I246 PolarHBondContact O-N 2.97Å; V163-W249 HydrophobicContact CG2-CH2 4.17Å; V163-W249 HydrophobicContact CG2-CZ2 4.41Å; V163-F286 HydrophobicContact CB-CE2 4.43Å; V163-F286 HydrophobicContact CG1-CB 4.27Å; V163-F286 HydrophobicContact CG1-CD1 3.98Å; V163-F286 HydrophobicContact CG1-CD2 3.17Å; V163-F286 HydrophobicContact CG1-CE1 4.09Å; V163-F286 HydrophobicContact CG1-CE2 3.31Å; V163-F286 HydrophobicContact CG1-CG 3.52Å; V163-F286 HydrophobicContact CG1-CZ 3.77Å; V163-F286 HydrophobicContact CG2-CD1 4.38Å; V163-F286 HydrophobicContact CG2-CE1 3.97Å; V163-F286 HydrophobicContact CG2-CE2 4.35Å; V163-F286 HydrophobicContact CG2-CZ 3.94Å |
| 164 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127 | -178.5 | -61.6 | 162.7 | 0 | 0 | 0 | 108.5 | L162 M166 I178 V189 C190 V191 L192 F244 I245 F259 | L162-I164 HydrophobicContact CD2-CD1 3.88Å; L162-I164 HydrophobicContact CD2-CG1 4.49Å; L162-I164 HydrophobicContact CG-CD1 4Å; L162-I164 HydrophobicContact CG-CG1 4.09Å; I164-M166 HydrophobicContact CG2-CB 4.13Å; I164-M166 HydrophobicContact CG2-CE 4.17Å; I164-I178 HydrophobicContact CD1-CD1 3.57Å; I164-I178 HydrophobicContact CD1-CG1 4.3Å; I164-V189 HydrophobicContact CD1-CG1 4.29Å; I164-C190 PolarHBondContact N-O 3Å; I164-V191 HydrophobicContact CB-CG1 4.39Å; I164-V191 HydrophobicContact CB-CG2 4.34Å; I164-V191 HydrophobicContact CD1-CG2 4.17Å; I164-V191 HydrophobicContact CG2-CG1 4.3Å; I164-V191 CarbonylContact O-C 3.5Å; I164-V191 WeakPolarHBondContact O-CA 3.3Å; I164-L192 PolarHBondContact O-N 2.66Å; I164-F244 WeakPolarHBondContact CA-O 3.47Å; I164-I245 HydrophobicContact CG1-CG1 4.35Å; I164-I245 HydrophobicContact CG1-CG2 4.19Å; I164-F259 HydrophobicContact CD1-CE2 4.25Å; I164-F259 HydrophobicContact CG2-CE2 3.86Å; I164-F259 HydrophobicContact CG2-CZ 4.21Å |
| 165 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.4 | 162.1 | -177.9 | 66.4 | 0 | 0 | 0 | 108.5 | L192 V223 I240 E242 K243 F244 L289 | L165-L192 WeakPolarHBondContact CA-O 3.4Å; L165-L192 HydrophobicContact CD1-CB 3.6Å; L165-L192 HydrophobicContact CD1-CD1 4.42Å; L165-V223 HydrophobicContact CD1-CG2 4.1Å; L165-I240 HydrophobicContact CD1-CG2 4.05Å; L165-I240 HydrophobicContact CD2-CG2 4.15Å; L165-I240 HydrophobicContact CG-CG2 4.28Å; L165-E242 HydrophobicContact CD2-CB 3.65Å; L165-K243 WeakPolarHBondContact O-CA 3.28Å; L165-F244 HydrophobicContact CB-CD1 4.06Å; L165-F244 HydrophobicContact CB-CD2 4.37Å; L165-F244 HydrophobicContact CB-CE1 3.86Å; L165-F244 HydrophobicContact CB-CE2 4.15Å; L165-F244 HydrophobicContact CB-CG 4.32Å; L165-F244 HydrophobicContact CB-CZ 3.9Å; L165-F244 HydrophobicContact CD2-CD1 3.87Å; L165-F244 HydrophobicContact CD2-CE1 3.32Å; L165-F244 HydrophobicContact CD2-CZ 3.93Å; L165-F244 HydrophobicContact CG-CE1 4.24Å; L165-F244 PolarHBondContact N-O 3.21Å; L165-F244 PolarHBondContact O-N 3.39Å; L165-F244 VanDerWaalsContact O-N 3.14Å; L165-L289 HydrophobicContact CD1-CD1 3.82Å; L165-L289 HydrophobicContact CD2-CD1 3.49Å; L165-L289 VanDerWaalsContact CD2-CD1 3.49Å; L165-L289 HydrophobicContact CG-CD1 4.32Å |
| 166 | M | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146.5 | -173.4 | -165.4 | 54.9 | 53.2 | 0 | 0 | 112.5 | I164 V168 F169 L192 L193 D194 K243 F259 | I164-M166 HydrophobicContact CG2-CB 4.13Å; I164-M166 HydrophobicContact CG2-CE 4.17Å; M166-V168 WeakPolarHBondContact CG-O 3.37Å; M166-F169 HydrophobicContact CG-CB 4.43Å; M166-L192 PolarHBondContact N-O 3.18Å; M166-L193 HydrophobicContact CB-CD1 4.2Å; M166-L193 HydrophobicContact CG-CD1 4.45Å; M166-L193 CarbonylContact O-C 3.42Å; M166-L193 WeakPolarHBondContact O-CA 3.41Å; M166-D194 PolarHBondContact O-N 3.25Å; M166-K243 HydrophobicContact SD-CD 4.21Å; M166-K243 HydrophobicContact SD-CG 4Å; M166-F259 HydrophobicContact CE-CD1 3.56Å; M166-F259 HydrophobicContact CE-CD2 3.95Å; M166-F259 HydrophobicContact CE-CE1 3.44Å; M166-F259 VanDerWaalsContact CE-CE1 3.44Å; M166-F259 HydrophobicContact CE-CE2 3.86Å; M166-F259 HydrophobicContact CE-CG 3.82Å; M166-F259 HydrophobicContact CE-CZ 3.61Å; M166-F259 HydrophobicContact CG-CB 4.38Å; M166-F259 HydrophobicContact CG-CD2 4.21Å; M166-F259 HydrophobicContact CG-CG 4.23Å; M166-F259 HydrophobicContact SD-CB 4.37Å; M166-F259 HydrophobicContact SD-CD1 4.09Å; M166-F259 HydrophobicContact SD-CD2 4.45Å; M166-F259 HydrophobicContact SD-CG 4.04Å |
| 167 | D | 97.8 | Very high | 97.5 | Very high | 26 Ų | 26 | 34 Ų | 34 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -85.2 | -54 | 174 | 54.6 | -1 | 0 | 0 | 0 | 111.8 | K243 S258 | D167-K243 WeakPolarHBondContact OD1-CD 3.38Å; D167-K243 IonicContact OD1-NZ 2.73Å; D167-K243 IonicContact OD2-NZ 3.32Å; D167-K243 PolarHBondContact OD2-NZ 3.31Å; D167-S258 VanDerWaalsContact CG-OG 3.23Å; D167-S258 WeakPolarHBondContact OD1-CB 3.46Å; D167-S258 PolarHBondContact OD1-OG 2.84Å; D167-S258 PolarHBondContact OD2-OG 3.26Å |
| 168 | V | 98.3 | Very high | 97.6 | Very high | 46 Ų | 46 | 28 Ų | 28 | 28% | 0.279 | 16% | 0.159 | S | C | . | . | trans | -130.5 | 129.3 | -178.4 | -174.6 | 0 | 0 | 0 | 0 | 110 | M166 T170 F259 T260 | M166-V168 WeakPolarHBondContact CG-O 3.37Å; V168-T170 HydrophobicContact CG1-CG2 4.16Å; V168-F259 PolarHBondContact O-N 3.19Å; V168-F259 VanDerWaalsContact O-N 3.14Å; V168-T260 HydrophobicContact CB-CG2 3.96Å; V168-T260 HydrophobicContact CG1-CG2 3.65Å | ||
| 169 | F | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -129.1 | 102.4 | 178.4 | -163.1 | 170 | 0 | 0 | 0 | 111.2 | M166 I174 F175 I178 V191 L193 F201 M204 F259 | M166-F169 HydrophobicContact CG-CB 4.43Å; F169-I174 HydrophobicContact CE2-CB 4.22Å; F169-I174 HydrophobicContact CE2-CG2 4.15Å; F169-I174 HydrophobicContact CZ-CG2 4.1Å; F169-F175 HydrophobicContact CE1-CD2 4.19Å; F169-F175 HydrophobicContact CE2-CB 3.94Å; F169-F175 HydrophobicContact CE2-CD2 4.46Å; F169-F175 HydrophobicContact CZ-CB 3.93Å; F169-F175 AromaticContact CZ-CD2 3.83Å; F169-F175 HydrophobicContact CZ-CD2 3.83Å; F169-F175 HydrophobicContact CZ-CG 4.38Å; F169-I178 HydrophobicContact CE1-CD1 3.73Å; F169-I178 HydrophobicContact CZ-CD1 3.63Å; F169-V191 HydrophobicContact CD1-CG1 4.38Å; F169-L193 HydrophobicContact CB-CD1 3.96Å; F169-F201 HydrophobicContact CB-CD2 3.83Å; F169-F201 AromaticContact CD1-CD2 3.94Å; F169-F201 HydrophobicContact CD1-CD2 3.94Å; F169-F201 AromaticContact CD1-CE2 3.76Å; F169-F201 HydrophobicContact CD1-CE2 3.76Å; F169-F201 HydrophobicContact CD2-CD2 4.4Å; F169-F201 HydrophobicContact CE1-CE2 4.09Å; F169-F201 AromaticContact CG-CD2 3.79Å; F169-F201 HydrophobicContact CG-CD2 3.79Å; F169-F201 HydrophobicContact CG-CE2 4.02Å; F169-F201 WeakPolarHBondContact O-CA 3.2Å; F169-F201 WeakPolarHBondContact O-CB 3.49Å; F169-M204 HydrophobicContact CD2-CE 4.37Å; F169-M204 HydrophobicContact CE2-CE 4.45Å; F169-F259 WeakPolarHBondContact CA-O 3.45Å; F169-F259 HydrophobicContact CB-CB 4.33Å; F169-F259 AromaticContact CD1-CD2 3.85Å; F169-F259 HydrophobicContact CD1-CD2 3.85Å; F169-F259 HydrophobicContact CD2-CB 3.48Å; F169-F259 VanDerWaalsContact CD2-CB 3.48Å; F169-F259 AromaticContact CD2-CD2 3.81Å; F169-F259 HydrophobicContact CD2-CD2 3.81Å; F169-F259 HydrophobicContact CD2-CG 4.16Å; F169-F259 AromaticContact CE1-CD2 3.73Å; F169-F259 HydrophobicContact CE1-CD2 3.73Å; F169-F259 HydrophobicContact CE1-CE2 4.2Å; F169-F259 HydrophobicContact CE2-CB 3.89Å; F169-F259 AromaticContact CE2-CD2 3.68Å; F169-F259 HydrophobicContact CE2-CD2 3.68Å; F169-F259 HydrophobicContact CE2-CG 4.23Å; F169-F259 HydrophobicContact CG-CB 3.95Å; F169-F259 AromaticContact CG-CD2 3.89Å; F169-F259 HydrophobicContact CG-CD2 3.89Å; F169-F259 HydrophobicContact CG-CG 4.47Å; F169-F259 AromaticContact CZ-CD2 3.63Å; F169-F259 HydrophobicContact CZ-CD2 3.63Å; F169-F259 HydrophobicContact CZ-CE2 4.21Å |
| 170 | T | 98.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 28.8 Ų | 28.8 | 29% | 0.288 | 15% | 0.154 | S | C | . | . | trans | -139.3 | -2.5 | -179.8 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | V168 V172 L200 M204 F259 | V168-T170 HydrophobicContact CG1-CG2 4.16Å; T170-V172 PolarHBondContact O-N 2.83Å; T170-L200 HydrophobicContact CG2-CB 3.67Å; T170-L200 HydrophobicContact CG2-CD1 4.49Å; T170-M204 VanDerWaalsContact CA-SD 3.57Å; T170-M204 VanDerWaalsContact O-SD 3.35Å; T170-F259 PolarHBondContact N-O 3.04Å | ||
| 171 | D | 98.2 | Very high | 98 | Very high | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | trans | -80 | 106.6 | 174.9 | -169.9 | -18.4 | 0 | 0 | 0 | 111.1 | R148 E173 I174 F175 F259 | R148-D171 IonicContact CZ-OD2 3.68Å; R148-D171 IonicContact NE-OD2 2.78Å; R148-D171 IonicContact NH2-OD1 3.86Å; R148-D171 IonicContact NH2-OD2 3.64Å; R148-D171 PolarHBondContact NH2-OD2 3.38Å; R148-D171 VanDerWaalsContact NH2-OD2 3.13Å; D171-E173 PolarHBondContact O-N 3.08Å; D171-E173 WeakPolarHBondContact OD1-CB 3.5Å; D171-E173 PolarHBondContact OD1-N 3.18Å; D171-I174 HydrophobicContact CB-CB 4.36Å; D171-I174 HydrophobicContact CB-CG1 4.04Å; D171-I174 PolarHBondContact O-N 3.25Å; D171-F175 PolarHBondContact O-N 2.69Å; D171-F259 PolarHBondContact N-O 3.34Å | ||
| 172 | V | 98.3 | Very high | 98 | Very high | 56 Ų | 56 | 21.4 Ų | 21.4 | 34% | 0.339 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -58.7 | -34.6 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | T170 F175 C176 M204 I208 | T170-V172 PolarHBondContact O-N 2.83Å; V172-F175 PolarHBondContact O-N 3.09Å; V172-C176 PolarHBondContact O-N 3.47Å; V172-C176 PolarHBondContact O-SG 3.22Å; V172-C176 VanDerWaalsContact O-SG 3.32Å; V172-M204 HydrophobicContact CG2-CG 3.7Å; V172-M204 HydrophobicContact CG2-SD 3.96Å; V172-I208 HydrophobicContact CG1-CD1 4.28Å; V172-I208 HydrophobicContact CG1-CG2 4.07Å; V172-I208 HydrophobicContact CG2-CG2 4.19Å |
| 173 | E | 97.1 | Very high | 98 | Very high | 87 Ų | 87 | 25 Ų | 25 | 41% | 0.407 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -69.9 | -39 | -177.4 | -64.6 | -171.2 | 177.3 | 0 | 0 | 112 | R148 R152 D171 F175 C176 D177 | R148-E173 IonicContact CZ-OE2 3.04Å; R148-E173 VanDerWaalsContact CZ-OE2 3.26Å; R148-E173 IonicContact NH1-OE2 2.62Å; R148-E173 PolarHBondContact NH1-OE2 3.37Å; R148-E173 VanDerWaalsContact NH2-CD 3.35Å; R148-E173 IonicContact NH2-OE2 2.91Å; R148-E173 PolarHBondContact NH2-OE2 2.85Å; R152-E173 IonicContact CZ-OE2 3.95Å; R152-E173 IonicContact NH1-OE2 3.26Å; R152-E173 PolarHBondContact NH1-OE2 3.49Å; D171-E173 PolarHBondContact O-N 3.08Å; D171-E173 WeakPolarHBondContact OD1-CB 3.5Å; D171-E173 PolarHBondContact OD1-N 3.18Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-C176 WeakPolarHBondContact O-CB 3.46Å; E173-C176 PolarHBondContact O-N 3.32Å; E173-D177 PolarHBondContact O-N 3.03Å; E173-D177 VanDerWaalsContact O-N 3.12Å |
| 174 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 173.5 | -59.8 | -58.2 | 0 | 0 | 0 | 110.3 | V151 R152 I155 F169 D171 C176 D177 I178 F259 | V151-I174 HydrophobicContact CG1-CD1 4.32Å; R152-I174 HydrophobicContact CG-CD1 3.4Å; R152-I174 VanDerWaalsContact CG-CD1 3.4Å; I155-I174 HydrophobicContact CD1-CG2 3.7Å; F169-I174 HydrophobicContact CE2-CB 4.22Å; F169-I174 HydrophobicContact CE2-CG2 4.15Å; F169-I174 HydrophobicContact CZ-CG2 4.1Å; D171-I174 HydrophobicContact CB-CB 4.36Å; D171-I174 HydrophobicContact CB-CG1 4.04Å; D171-I174 PolarHBondContact O-N 3.25Å; I174-C176 VanDerWaalsContact C-N 3.33Å; I174-C176 PolarHBondContact O-N 3.3Å; I174-D177 PolarHBondContact O-N 3.44Å; I174-I178 WeakPolarHBondContact O-CG1 3.35Å; I174-I178 PolarHBondContact O-N 2.85Å; I174-I178 VanDerWaalsContact O-N 3.11Å; I174-F259 HydrophobicContact CG2-CD1 4.2Å; I174-F259 HydrophobicContact CG2-CD2 3.67Å; I174-F259 HydrophobicContact CG2-CE1 4.23Å; I174-F259 HydrophobicContact CG2-CE2 3.68Å; I174-F259 HydrophobicContact CG2-CG 3.92Å; I174-F259 HydrophobicContact CG2-CZ 3.97Å |
| 175 | F | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 176.6 | -169.2 | -109.2 | 0 | 0 | 0 | 112.3 | F169 D171 V172 E173 I178 L179 F201 M204 I208 I210 L215 | F169-F175 HydrophobicContact CE1-CD2 4.19Å; F169-F175 HydrophobicContact CE2-CB 3.94Å; F169-F175 HydrophobicContact CE2-CD2 4.46Å; F169-F175 HydrophobicContact CZ-CB 3.93Å; F169-F175 AromaticContact CZ-CD2 3.83Å; F169-F175 HydrophobicContact CZ-CD2 3.83Å; F169-F175 HydrophobicContact CZ-CG 4.38Å; D171-F175 PolarHBondContact O-N 2.69Å; V172-F175 PolarHBondContact O-N 3.09Å; E173-F175 VanDerWaalsContact C-N 3.31Å; F175-I178 WeakPolarHBondContact O-CB 2.99Å; F175-I178 PolarHBondContact O-N 2.81Å; F175-L179 HydrophobicContact CD1-CD1 3.79Å; F175-L179 HydrophobicContact CD1-CG 4.17Å; F175-L179 HydrophobicContact CE1-CD1 3.59Å; F175-L179 HydrophobicContact CE1-CD2 4.15Å; F175-L179 HydrophobicContact CE1-CG 3.86Å; F175-L179 HydrophobicContact CZ-CD1 4.43Å; F175-L179 HydrophobicContact CZ-CD2 4.22Å; F175-L179 HydrophobicContact CZ-CG 4.24Å; F175-L179 WeakPolarHBondContact O-CG 3.44Å; F175-L179 PolarHBondContact O-N 3.25Å; F175-F201 AromaticContact CD2-CE2 3.94Å; F175-F201 HydrophobicContact CD2-CE2 3.94Å; F175-F201 HydrophobicContact CD2-CZ 4.29Å; F175-F201 AromaticContact CE2-CE2 3.91Å; F175-F201 HydrophobicContact CE2-CE2 3.91Å; F175-F201 AromaticContact CE2-CZ 3.77Å; F175-F201 HydrophobicContact CE2-CZ 3.77Å; F175-F201 HydrophobicContact CZ-CZ 4.4Å; F175-M204 HydrophobicContact CB-CE 3.94Å; F175-M204 HydrophobicContact CD1-CE 4.3Å; F175-M204 HydrophobicContact CD2-CE 4.21Å; F175-M204 HydrophobicContact CG-CE 3.88Å; F175-I208 HydrophobicContact CD1-CD1 3.76Å; F175-I208 HydrophobicContact CE1-CD1 4.12Å; F175-I210 HydrophobicContact CD1-CD1 4.46Å; F175-I210 HydrophobicContact CE1-CD1 3.65Å; F175-I210 HydrophobicContact CE1-CG1 3.66Å; F175-I210 HydrophobicContact CZ-CG1 4.33Å; F175-L215 HydrophobicContact CZ-CD2 4.17Å |
| 176 | C | 98 | Very high | 97.5 | Very high | 63 Ų | 63 | 38.2 Ų | 38.2 | 43% | 0.426 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 171.2 | -73.9 | 0 | 0 | 0 | 0 | 112.6 | V172 E173 I174 I178 L179 E180 | V172-C176 PolarHBondContact O-N 3.47Å; V172-C176 PolarHBondContact O-SG 3.22Å; V172-C176 VanDerWaalsContact O-SG 3.32Å; E173-C176 WeakPolarHBondContact O-CB 3.46Å; E173-C176 PolarHBondContact O-N 3.32Å; I174-C176 VanDerWaalsContact C-N 3.33Å; I174-C176 PolarHBondContact O-N 3.3Å; C176-I178 VanDerWaalsContact C-N 3.26Å; C176-I178 PolarHBondContact O-N 2.85Å; C176-L179 PolarHBondContact O-N 2.81Å; C176-E180 WeakPolarHBondContact O-CB 3.43Å; C176-E180 PolarHBondContact O-N 3.43Å |
| 177 | D | 98.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | 176.3 | -66.6 | -12.3 | 0 | 0 | 0 | 111.5 | R152 I155 T156 E173 I174 A181 | R152-D177 WeakPolarHBondContact CB-OD2 3.49Å; R152-D177 VanDerWaalsContact CG-OD2 3.31Å; R152-D177 WeakPolarHBondContact CG-OD2 3.44Å; R152-D177 IonicContact CZ-OD1 3.49Å; R152-D177 IonicContact CZ-OD2 2.69Å; R152-D177 IonicContact NE-OD1 2.84Å; R152-D177 IonicContact NE-OD2 3.32Å; R152-D177 PolarHBondContact NE-OD2 3.17Å; R152-D177 IonicContact NH2-OD1 3.95Å; R152-D177 PolarHBondContact NH2-OD1 3.44Å; R152-D177 IonicContact NH2-OD2 3.26Å; R152-D177 PolarHBondContact NH2-OD2 3.12Å; I155-D177 HydrophobicContact CB-CB 4.4Å; I155-D177 HydrophobicContact CG2-CB 3.78Å; T156-D177 HydrophobicContact CG2-CB 4.33Å; E173-D177 PolarHBondContact O-N 3.03Å; E173-D177 VanDerWaalsContact O-N 3.12Å; I174-D177 PolarHBondContact O-N 3.44Å; D177-A181 PolarHBondContact O-N 3.28Å |
| 178 | I | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -46.5 | 175.1 | -69.6 | 177.3 | 0 | 0 | 0 | 111.2 | I155 L162 I164 F169 I174 F175 C176 E180 A181 A182 V189 I218 | I155-I178 HydrophobicContact CD1-CG1 4.41Å; I155-I178 HydrophobicContact CG2-CG1 3.93Å; L162-I178 HydrophobicContact CD2-CG1 4.45Å; I164-I178 HydrophobicContact CD1-CD1 3.57Å; I164-I178 HydrophobicContact CD1-CG1 4.3Å; F169-I178 HydrophobicContact CE1-CD1 3.73Å; F169-I178 HydrophobicContact CZ-CD1 3.63Å; I174-I178 WeakPolarHBondContact O-CG1 3.35Å; I174-I178 PolarHBondContact O-N 2.85Å; I174-I178 VanDerWaalsContact O-N 3.11Å; F175-I178 WeakPolarHBondContact O-CB 2.99Å; F175-I178 PolarHBondContact O-N 2.81Å; C176-I178 VanDerWaalsContact C-N 3.26Å; C176-I178 PolarHBondContact O-N 2.85Å; I178-E180 VanDerWaalsContact C-N 3.27Å; I178-E180 PolarHBondContact O-N 2.95Å; I178-A181 WeakPolarHBondContact O-CB 3.27Å; I178-A181 PolarHBondContact O-N 2.58Å; I178-A181 VanDerWaalsContact O-N 3.14Å; I178-A182 WeakPolarHBondContact O-CB 3.47Å; I178-A182 PolarHBondContact O-N 2.76Å; I178-V189 HydrophobicContact CG2-CB 4.35Å; I178-V189 HydrophobicContact CG2-CG1 3.87Å; I178-V189 HydrophobicContact CG2-CG2 4.18Å; I178-I218 HydrophobicContact CG2-CD1 3.9Å; I178-I218 HydrophobicContact CG2-CG1 4.47Å |
| 179 | L | 97.6 | Very high | 97.2 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 175.9 | -74.3 | 172.4 | 0 | 0 | 0 | 111.3 | F175 C176 A182 N183 I210 H214 I218 | F175-L179 HydrophobicContact CD1-CD1 3.79Å; F175-L179 HydrophobicContact CD1-CG 4.17Å; F175-L179 HydrophobicContact CE1-CD1 3.59Å; F175-L179 HydrophobicContact CE1-CD2 4.15Å; F175-L179 HydrophobicContact CE1-CG 3.86Å; F175-L179 HydrophobicContact CZ-CD1 4.43Å; F175-L179 HydrophobicContact CZ-CD2 4.22Å; F175-L179 HydrophobicContact CZ-CG 4.24Å; F175-L179 WeakPolarHBondContact O-CG 3.44Å; F175-L179 PolarHBondContact O-N 3.25Å; C176-L179 PolarHBondContact O-N 2.81Å; L179-A182 PolarHBondContact O-N 3.29Å; L179-N183 VanDerWaalsContact O-CB 3.29Å; L179-N183 WeakPolarHBondContact O-CB 3.4Å; L179-N183 PolarHBondContact O-N 2.91Å; L179-I210 HydrophobicContact CD1-CD1 4Å; L179-H214 HydrophobicContact CD2-CB 4.04Å; L179-I218 HydrophobicContact CD2-CD1 3.8Å |
| 180 | E | 97.9 | Very high | 97.2 | Very high | 71 Ų | 71 | 35.7 Ų | 35.7 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.8 | -42 | 174.3 | 173.6 | 158 | -116.8 | 0 | 0 | 111.9 | C176 I178 K184 R185 | C176-E180 WeakPolarHBondContact O-CB 3.43Å; C176-E180 PolarHBondContact O-N 3.43Å; I178-E180 VanDerWaalsContact C-N 3.27Å; I178-E180 PolarHBondContact O-N 2.95Å; E180-K184 HydrophobicContact CG-CB 4.47Å; E180-K184 HydrophobicContact CG-CD 4.02Å; E180-K184 HydrophobicContact CG-CG 4.41Å; E180-K184 WeakPolarHBondContact O-CB 3.5Å; E180-K184 PolarHBondContact O-N 2.8Å; E180-K184 VanDerWaalsContact O-N 3.09Å; E180-K184 IonicContact OE1-NZ 3.22Å; E180-K184 PolarHBondContact OE1-NZ 2.9Å; E180-R185 PolarHBondContact O-N 3.16Å |
| 181 | A | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.7 | -50.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D177 I178 R185 G186 V187 | D177-A181 PolarHBondContact O-N 3.28Å; I178-A181 WeakPolarHBondContact O-CB 3.27Å; I178-A181 PolarHBondContact O-N 2.58Å; I178-A181 VanDerWaalsContact O-N 3.14Å; A181-R185 CarbonylContact O-C 3.5Å; A181-R185 WeakPolarHBondContact O-CB 3.27Å; A181-R185 PolarHBondContact O-N 2.9Å; A181-G186 PolarHBondContact O-N 3.35Å; A181-V187 HydrophobicContact CB-CB 3.97Å; A181-V187 HydrophobicContact CB-CG1 4.41Å; A181-V187 HydrophobicContact CB-CG2 4.1Å; A181-V187 WeakPolarHBondContact O-CB 3.36Å; A181-V187 WeakPolarHBondContact O-CG2 3.43Å; A181-V187 PolarHBondContact O-N 3.27Å |
| 182 | A | 96.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.1 | -48.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113 | I178 L179 G186 V187 V189 N217 I218 | I178-A182 WeakPolarHBondContact O-CB 3.47Å; I178-A182 PolarHBondContact O-N 2.76Å; L179-A182 PolarHBondContact O-N 3.29Å; A182-G186 WeakPolarHBondContact O-CA 3.42Å; A182-G186 PolarHBondContact O-N 2.96Å; A182-V187 WeakPolarHBondContact CA-O 3.21Å; A182-V189 HydrophobicContact CB-CG2 4.23Å; A182-N217 HydrophobicContact CB-CB 4.06Å; A182-N217 PolarHBondContact O-ND2 2.94Å; A182-N217 VanDerWaalsContact O-ND2 3.09Å; A182-I218 HydrophobicContact CB-CD1 3.65Å; A182-I218 HydrophobicContact CB-CG1 3.4Å |
| 183 | N | 95.6 | Very high | 97.2 | Very high | 75 Ų | 75 | 30.5 Ų | 30.5 | 40% | 0.401 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -94 | -28.5 | -167.5 | -63.4 | -33 | 0 | 0 | 0 | 113.4 | L179 H214 | L179-N183 VanDerWaalsContact O-CB 3.29Å; L179-N183 WeakPolarHBondContact O-CB 3.4Å; L179-N183 PolarHBondContact O-N 2.91Å; N183-H214 PolarHBondContact ND2-O 3.48Å; N183-H214 PolarHBondContact OD1-O 3.09Å |
| 184 | K | 96.4 | Very high | 97.2 | Very high | 156 Ų | 156 | 26.9 Ų | 26.9 | 68% | 0.678 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -97.1 | -33.7 | 177.4 | -55.5 | -168 | -165.5 | 162.4 | 0 | 113.2 | E180 | E180-K184 HydrophobicContact CG-CB 4.47Å; E180-K184 HydrophobicContact CG-CD 4.02Å; E180-K184 HydrophobicContact CG-CG 4.41Å; E180-K184 WeakPolarHBondContact O-CB 3.5Å; E180-K184 PolarHBondContact O-N 2.8Å; E180-K184 VanDerWaalsContact O-N 3.09Å; E180-K184 IonicContact OE1-NZ 3.22Å; E180-K184 PolarHBondContact OE1-NZ 2.9Å |
| 185 | R | 96.4 | Very high | 97 | Very high | 87 Ų | 87 | 31 Ų | 31 | 33% | 0.328 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -105.4 | -8.9 | -176.4 | -65.9 | 179.8 | -80.4 | 128.6 | -9.8 | 114 | I155 T156 T158 E180 A181 V187 | I155-R185 PolarHBondContact O-NH1 3.25Å; I155-R185 PolarHBondContact O-NH2 3.47Å; T156-R185 PolarHBondContact O-NH1 3.32Å; T158-R185 PolarHBondContact O-NH1 2.89Å; E180-R185 PolarHBondContact O-N 3.16Å; A181-R185 CarbonylContact O-C 3.5Å; A181-R185 WeakPolarHBondContact O-CB 3.27Å; A181-R185 PolarHBondContact O-N 2.9Å; R185-V187 VanDerWaalsContact C-N 3.28Å; R185-V187 HydrophobicContact CB-CG2 4.03Å; R185-V187 PolarHBondContact O-N 3.17Å |
| 186 | G | 93.8 | Very high | 96.8 | Very high | 35 Ų | 35 | 33 Ų | 33 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | trans | 71.2 | 22.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A181 A182 | A181-G186 PolarHBondContact O-N 3.35Å; A182-G186 WeakPolarHBondContact O-CA 3.42Å; A182-G186 PolarHBondContact O-N 2.96Å | ||
| 187 | V | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -70.8 | 132.8 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | T158 L162 A181 A182 R185 V189 | T158-V187 HydrophobicContact CG2-CG1 3.77Å; L162-V187 HydrophobicContact CB-CG1 4.03Å; A181-V187 HydrophobicContact CB-CB 3.97Å; A181-V187 HydrophobicContact CB-CG1 4.41Å; A181-V187 HydrophobicContact CB-CG2 4.1Å; A181-V187 WeakPolarHBondContact O-CB 3.36Å; A181-V187 WeakPolarHBondContact O-CG2 3.43Å; A181-V187 PolarHBondContact O-N 3.27Å; A182-V187 WeakPolarHBondContact CA-O 3.21Å; R185-V187 VanDerWaalsContact C-N 3.28Å; R185-V187 HydrophobicContact CB-CG2 4.03Å; R185-V187 PolarHBondContact O-N 3.17Å; V187-V189 HydrophobicContact CG1-CG2 4.17Å | ||
| 188 | F | 95.1 | Very high | 96.5 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 9% | 0.092 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122 | 172.2 | -72.6 | -92.7 | 0 | 0 | 0 | 109.8 | Q160 V161 L162 L304 | Q160-F188 PolarHBondContact O-N 3.32Å; V161-F188 CarbonylContact C-O 3.45Å; V161-F188 WeakPolarHBondContact CA-O 3.49Å; L162-F188 PolarHBondContact N-O 3.31Å; F188-L304 HydrophobicContact CD1-CG 4.22Å; F188-L304 HydrophobicContact CD2-CD1 4.08Å; F188-L304 HydrophobicContact CD2-CD2 3.4Å; F188-L304 VanDerWaalsContact CD2-CD2 3.4Å; F188-L304 HydrophobicContact CD2-CG 3.48Å; F188-L304 VanDerWaalsContact CD2-CG 3.48Å; F188-L304 HydrophobicContact CE1-CG 4.07Å; F188-L304 HydrophobicContact CE2-CB 4.41Å; F188-L304 HydrophobicContact CE2-CD1 4.4Å; F188-L304 HydrophobicContact CE2-CD2 2.99Å; F188-L304 HydrophobicContact CE2-CG 3.36Å; F188-L304 HydrophobicContact CG-CD1 4.4Å; F188-L304 HydrophobicContact CG-CD2 4.34Å; F188-L304 HydrophobicContact CG-CG 3.94Å; F188-L304 HydrophobicContact CZ-CB 4.28Å; F188-L304 HydrophobicContact CZ-CD2 3.62Å; F188-L304 HydrophobicContact CZ-CG 3.65Å |
| 189 | V | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.8 | -175.8 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | L162 I164 I178 A182 V187 V191 N217 I218 S219 | L162-V189 HydrophobicContact CB-CB 4.48Å; L162-V189 HydrophobicContact CB-CG1 4.22Å; L162-V189 HydrophobicContact CB-CG2 4.12Å; L162-V189 HydrophobicContact CD2-CG1 4.16Å; L162-V189 HydrophobicContact CD2-CG2 4.34Å; L162-V189 HydrophobicContact CG-CG1 4.36Å; L162-V189 CarbonylContact O-C 3.56Å; L162-V189 VanDerWaalsContact O-CA 3.31Å; L162-V189 WeakPolarHBondContact O-CA 3.46Å; I164-V189 HydrophobicContact CD1-CG1 4.29Å; I178-V189 HydrophobicContact CG2-CB 4.35Å; I178-V189 HydrophobicContact CG2-CG1 3.87Å; I178-V189 HydrophobicContact CG2-CG2 4.18Å; A182-V189 HydrophobicContact CB-CG2 4.23Å; V187-V189 HydrophobicContact CG1-CG2 4.17Å; V189-V191 HydrophobicContact CG1-CG2 4.05Å; V189-N217 PolarHBondContact N-O 3.4Å; V189-I218 HydrophobicContact CB-CB 4.48Å; V189-I218 HydrophobicContact CB-CG1 4.2Å; V189-I218 HydrophobicContact CB-CG2 4.17Å; V189-I218 HydrophobicContact CG1-CG2 4.34Å; V189-I218 HydrophobicContact CG2-CG1 4.45Å; V189-I218 CarbonylContact O-C 3.51Å; V189-I218 WeakPolarHBondContact O-CA 3.47Å; V189-S219 PolarHBondContact O-N 2.81Å |
| 190 | C | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.6 | 170.7 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | W121 L162 V163 I164 S219 F286 | W121-C190 HydrophobicContact CH2-CB 3.43Å; W121-C190 VanDerWaalsContact CH2-CB 3.43Å; W121-C190 HydrophobicContact CZ2-CB 4.07Å; W121-C190 HydrophobicContact CZ3-CB 4.16Å; L162-C190 PolarHBondContact O-N 3.14Å; V163-C190 CarbonylContact C-O 3.52Å; V163-C190 WeakPolarHBondContact CA-O 3.47Å; I164-C190 PolarHBondContact N-O 3Å; C190-S219 WeakPolarHBondContact CA-O 3.36Å; C190-F286 HydrophobicContact CB-CZ 4.27Å |
| 191 | V | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.5 | 176.5 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | I164 F169 V189 S219 I220 R221 | I164-V191 HydrophobicContact CB-CG1 4.39Å; I164-V191 HydrophobicContact CB-CG2 4.34Å; I164-V191 HydrophobicContact CD1-CG2 4.17Å; I164-V191 HydrophobicContact CG2-CG1 4.3Å; I164-V191 CarbonylContact O-C 3.5Å; I164-V191 WeakPolarHBondContact O-CA 3.3Å; F169-V191 HydrophobicContact CD1-CG1 4.38Å; V189-V191 HydrophobicContact CG1-CG2 4.05Å; V191-S219 PolarHBondContact N-O 3.26Å; V191-I220 HydrophobicContact CB-CG1 4.16Å; V191-I220 HydrophobicContact CG2-CG1 4.37Å; V191-R221 PolarHBondContact O-N 3.34Å |
| 192 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.4 | 163.9 | -59.4 | -172.6 | 0 | 0 | 0 | 107.5 | I164 L165 M166 R221 V223 F286 L289 Y290 | I164-L192 PolarHBondContact O-N 2.66Å; L165-L192 WeakPolarHBondContact CA-O 3.4Å; L165-L192 HydrophobicContact CD1-CB 3.6Å; L165-L192 HydrophobicContact CD1-CD1 4.42Å; M166-L192 PolarHBondContact N-O 3.18Å; L192-R221 WeakPolarHBondContact CA-O 3.29Å; L192-R221 HydrophobicContact CD2-CB 3.89Å; L192-R221 HydrophobicContact CD2-CG 4.47Å; L192-V223 HydrophobicContact CB-CG1 4.11Å; L192-V223 HydrophobicContact CB-CG2 4.18Å; L192-V223 HydrophobicContact CD1-CG1 4.24Å; L192-V223 HydrophobicContact CD2-CG1 4.2Å; L192-V223 HydrophobicContact CG-CG1 4.41Å; L192-F286 HydrophobicContact CD1-CD2 3.55Å; L192-F286 HydrophobicContact CD1-CE2 3.68Å; L192-F286 HydrophobicContact CD2-CE2 4.45Å; L192-F286 HydrophobicContact CG-CD2 4.15Å; L192-F286 HydrophobicContact CG-CE2 3.86Å; L192-L289 HydrophobicContact CD1-CB 3.73Å; L192-Y290 HydrophobicContact CD2-CD2 4.03Å |
| 193 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.5 | -177.1 | -176.7 | 61.8 | 0 | 0 | 0 | 109.5 | M166 F169 Q195 V198 F201 R221 S222 V223 | M166-L193 HydrophobicContact CB-CD1 4.2Å; M166-L193 HydrophobicContact CG-CD1 4.45Å; M166-L193 CarbonylContact O-C 3.42Å; M166-L193 WeakPolarHBondContact O-CA 3.41Å; F169-L193 HydrophobicContact CB-CD1 3.96Å; L193-Q195 PolarHBondContact O-N 2.88Å; L193-V198 HydrophobicContact CD2-CG2 4.14Å; L193-V198 HydrophobicContact CG-CG2 4.34Å; L193-F201 HydrophobicContact CD2-CB 3.63Å; L193-F201 HydrophobicContact CD2-CD1 4.19Å; L193-F201 HydrophobicContact CD2-CG 3.87Å; L193-R221 PolarHBondContact N-O 3.01Å; L193-S222 CarbonylContact O-C 3.49Å; L193-S222 VanDerWaalsContact O-CA 3.24Å; L193-S222 WeakPolarHBondContact O-CA 3.35Å; L193-V223 WeakPolarHBondContact O-CG2 3.43Å; L193-V223 PolarHBondContact O-N 3.31Å |
| 194 | D | 97.7 | Very high | 96.6 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 6% | 0.059 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 137.2 | 171 | 179.1 | 79.4 | 0 | 0 | 0 | 110.9 | M166 G196 G197 V198 V223 I240 | M166-D194 PolarHBondContact O-N 3.25Å; D194-G196 PolarHBondContact O-N 3.49Å; D194-G196 VanDerWaalsContact O-N 3.15Å; D194-G196 WeakPolarHBondContact OD2-CA 3.46Å; D194-G196 PolarHBondContact OD2-N 3.21Å; D194-G197 WeakPolarHBondContact O-CA 3.47Å; D194-G197 PolarHBondContact O-N 2.77Å; D194-V198 PolarHBondContact O-N 3.3Å; D194-V223 CarbonylContact C-O 3.57Å; D194-V223 WeakPolarHBondContact CA-O 3.34Å; D194-I240 HydrophobicContact CB-CB 4.29Å; D194-I240 PolarHBondContact OD1-N 2.73Å |
| 195 | Q | 94.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 32.8 Ų | 32.8 | 41% | 0.407 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -54 | -35.2 | -178.2 | 177.5 | -87.3 | 0.4 | 0 | 0 | 112.4 | L193 G197 V198 V223 E224 | L193-Q195 PolarHBondContact O-N 2.88Å; Q195-G197 VanDerWaalsContact C-N 3.27Å; Q195-G197 PolarHBondContact O-N 2.67Å; Q195-V198 PolarHBondContact O-N 3.21Å; Q195-V223 PolarHBondContact N-O 3.13Å; Q195-E224 HydrophobicContact CB-CB 4.43Å |
| 196 | G | 92.4 | Very high | 96.6 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 43% | 0.433 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.9 | -25.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D194 | D194-G196 PolarHBondContact O-N 3.49Å; D194-G196 VanDerWaalsContact O-N 3.15Å; D194-G196 WeakPolarHBondContact OD2-CA 3.46Å; D194-G196 PolarHBondContact OD2-N 3.21Å |
| 197 | G | 94.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -84.6 | -19 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D194 Q195 K199 L200 F201 | D194-G197 WeakPolarHBondContact O-CA 3.47Å; D194-G197 PolarHBondContact O-N 2.77Å; Q195-G197 VanDerWaalsContact C-N 3.27Å; Q195-G197 PolarHBondContact O-N 2.67Å; G197-K199 PolarHBondContact O-N 3.27Å; G197-L200 PolarHBondContact O-N 3.01Å; G197-F201 PolarHBondContact O-N 3.24Å; G197-F201 VanDerWaalsContact O-N 3.09Å |
| 198 | V | 96.9 | Very high | 96.6 | Very high | 28 Ų | 28 | 42 Ų | 42 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | -172 | 173.4 | 0 | 0 | 0 | 0 | 112.7 | L193 D194 Q195 L200 F201 Q202 V296 | L193-V198 HydrophobicContact CD2-CG2 4.14Å; L193-V198 HydrophobicContact CG-CG2 4.34Å; D194-V198 PolarHBondContact O-N 3.3Å; Q195-V198 PolarHBondContact O-N 3.21Å; V198-L200 PolarHBondContact O-N 3.21Å; V198-F201 PolarHBondContact O-N 3.15Å; V198-Q202 PolarHBondContact O-N 2.83Å; V198-V296 HydrophobicContact CG1-CG1 3.77Å; V198-V296 HydrophobicContact CG1-CG2 4.18Å; V198-V296 HydrophobicContact CG2-CG2 4.29Å |
| 199 | K | 96.5 | Very high | 96.6 | Very high | 150 Ų | 150 | 48.8 Ų | 48.8 | 65% | 0.652 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.9 | -48.1 | -178.6 | -175.7 | -175.9 | 175.1 | -174.6 | 0 | 111.6 | G197 F201 Q202 E203 | G197-K199 PolarHBondContact O-N 3.27Å; K199-F201 VanDerWaalsContact C-N 3.31Å; K199-F201 PolarHBondContact O-N 2.84Å; K199-Q202 PolarHBondContact O-N 3.42Å; K199-E203 WeakPolarHBondContact CE-OE1 3.48Å; K199-E203 WeakPolarHBondContact O-CG 3.43Å; K199-E203 PolarHBondContact O-N 3.2Å |
| 200 | L | 97.7 | Very high | 96.5 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 41% | 0.408 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | -179.8 | -64.8 | 175.2 | 0 | 0 | 0 | 111.9 | T170 G197 V198 E203 M204 | T170-L200 HydrophobicContact CG2-CB 3.67Å; T170-L200 HydrophobicContact CG2-CD1 4.49Å; G197-L200 PolarHBondContact O-N 3.01Å; V198-L200 PolarHBondContact O-N 3.21Å; L200-E203 PolarHBondContact O-N 3.15Å; L200-M204 PolarHBondContact O-N 3.13Å |
| 201 | F | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 173.9 | 176.2 | -101.9 | 0 | 0 | 0 | 111.6 | F169 F175 L193 G197 V198 K199 E203 M204 C205 I220 M297 | F169-F201 HydrophobicContact CB-CD2 3.83Å; F169-F201 AromaticContact CD1-CD2 3.94Å; F169-F201 HydrophobicContact CD1-CD2 3.94Å; F169-F201 AromaticContact CD1-CE2 3.76Å; F169-F201 HydrophobicContact CD1-CE2 3.76Å; F169-F201 HydrophobicContact CD2-CD2 4.4Å; F169-F201 HydrophobicContact CE1-CE2 4.09Å; F169-F201 AromaticContact CG-CD2 3.79Å; F169-F201 HydrophobicContact CG-CD2 3.79Å; F169-F201 HydrophobicContact CG-CE2 4.02Å; F169-F201 WeakPolarHBondContact O-CA 3.2Å; F169-F201 WeakPolarHBondContact O-CB 3.49Å; F175-F201 AromaticContact CD2-CE2 3.94Å; F175-F201 HydrophobicContact CD2-CE2 3.94Å; F175-F201 HydrophobicContact CD2-CZ 4.29Å; F175-F201 AromaticContact CE2-CE2 3.91Å; F175-F201 HydrophobicContact CE2-CE2 3.91Å; F175-F201 AromaticContact CE2-CZ 3.77Å; F175-F201 HydrophobicContact CE2-CZ 3.77Å; F175-F201 HydrophobicContact CZ-CZ 4.4Å; L193-F201 HydrophobicContact CD2-CB 3.63Å; L193-F201 HydrophobicContact CD2-CD1 4.19Å; L193-F201 HydrophobicContact CD2-CG 3.87Å; G197-F201 PolarHBondContact O-N 3.24Å; G197-F201 VanDerWaalsContact O-N 3.09Å; V198-F201 PolarHBondContact O-N 3.15Å; K199-F201 VanDerWaalsContact C-N 3.31Å; K199-F201 PolarHBondContact O-N 2.84Å; F201-E203 PolarHBondContact O-N 3.39Å; F201-M204 HydrophobicContact CD2-CE 3.57Å; F201-M204 HydrophobicContact CE2-CE 3.58Å; F201-M204 WeakPolarHBondContact O-CB 3.43Å; F201-M204 PolarHBondContact O-N 3.24Å; F201-C205 PolarHBondContact O-N 3.16Å; F201-C205 PolarHBondContact O-SG 3.38Å; F201-I220 HydrophobicContact CD1-CG2 4.35Å; F201-I220 HydrophobicContact CE1-CB 4.35Å; F201-I220 HydrophobicContact CE1-CD1 4.43Å; F201-I220 HydrophobicContact CE1-CG1 4.03Å; F201-I220 HydrophobicContact CE1-CG2 3.84Å; F201-I220 HydrophobicContact CZ-CD1 4.29Å; F201-I220 HydrophobicContact CZ-CG1 3.97Å; F201-I220 HydrophobicContact CZ-CG2 4.44Å; F201-M297 HydrophobicContact CD1-SD 4.41Å; F201-M297 HydrophobicContact CE1-CG 4.26Å; F201-M297 HydrophobicContact CE1-SD 3.45Å; F201-M297 WeakPolarHBondContact CE1-SD 3.03Å; F201-M297 HydrophobicContact CZ-SD 4.08Å |
| 202 | Q | 96.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.8 | -171.7 | 62.2 | 55.6 | 0 | 0 | 111.4 | V198 K199 M204 C205 D206 | V198-Q202 PolarHBondContact O-N 2.83Å; K199-Q202 PolarHBondContact O-N 3.42Å; Q202-M204 VanDerWaalsContact C-N 3.27Å; Q202-M204 PolarHBondContact O-N 2.85Å; Q202-C205 WeakPolarHBondContact O-CB 2.99Å; Q202-C205 PolarHBondContact O-N 3.33Å; Q202-C205 VanDerWaalsContact O-N 3.09Å; Q202-D206 PolarHBondContact NE2-OD1 2.93Å; Q202-D206 PolarHBondContact O-N 3.15Å |
| 203 | E | 97.4 | Very high | 95.2 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 174.9 | -71.3 | 174.7 | -161.7 | 0 | 0 | 112.5 | K199 L200 F201 K207 | K199-E203 WeakPolarHBondContact CE-OE1 3.48Å; K199-E203 WeakPolarHBondContact O-CG 3.43Å; K199-E203 PolarHBondContact O-N 3.2Å; L200-E203 PolarHBondContact O-N 3.15Å; F201-E203 PolarHBondContact O-N 3.39Å; E203-K207 WeakPolarHBondContact O-CB 3.43Å; E203-K207 WeakPolarHBondContact O-CD 3.1Å; E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 2.89Å |
| 204 | M | 97.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 4% | 0.044 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.3 | -47 | 173.5 | 179.9 | -166.8 | 68.8 | 0 | 0 | 111 | F169 T170 V172 F175 L200 F201 Q202 D206 K207 I208 | F169-M204 HydrophobicContact CD2-CE 4.37Å; F169-M204 HydrophobicContact CE2-CE 4.45Å; T170-M204 VanDerWaalsContact CA-SD 3.57Å; T170-M204 VanDerWaalsContact O-SD 3.35Å; V172-M204 HydrophobicContact CG2-CG 3.7Å; V172-M204 HydrophobicContact CG2-SD 3.96Å; F175-M204 HydrophobicContact CB-CE 3.94Å; F175-M204 HydrophobicContact CD1-CE 4.3Å; F175-M204 HydrophobicContact CD2-CE 4.21Å; F175-M204 HydrophobicContact CG-CE 3.88Å; L200-M204 PolarHBondContact O-N 3.13Å; F201-M204 HydrophobicContact CD2-CE 3.57Å; F201-M204 HydrophobicContact CE2-CE 3.58Å; F201-M204 WeakPolarHBondContact O-CB 3.43Å; F201-M204 PolarHBondContact O-N 3.24Å; Q202-M204 VanDerWaalsContact C-N 3.27Å; Q202-M204 PolarHBondContact O-N 2.85Å; M204-D206 VanDerWaalsContact C-N 3.33Å; M204-D206 PolarHBondContact O-N 3.1Å; M204-K207 PolarHBondContact O-N 3.44Å; M204-I208 WeakPolarHBondContact O-CG1 3.29Å; M204-I208 PolarHBondContact O-N 3.1Å |
| 205 | C | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.4 | -41 | 177.4 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | F201 Q202 I208 Q209 I210 M297 | F201-C205 PolarHBondContact O-N 3.16Å; F201-C205 PolarHBondContact O-SG 3.38Å; Q202-C205 WeakPolarHBondContact O-CB 2.99Å; Q202-C205 PolarHBondContact O-N 3.33Å; Q202-C205 VanDerWaalsContact O-N 3.09Å; C205-I208 CarbonylContact O-C 3.59Å; C205-I208 PolarHBondContact O-N 2.9Å; C205-Q209 PolarHBondContact O-N 3.41Å; C205-I210 HydrophobicContact CB-CB 4.05Å; C205-I210 HydrophobicContact CB-CG1 4.05Å; C205-I210 PolarHBondContact O-N 3.38Å; C205-M297 HydrophobicContact CB-CE 4.29Å |
| 206 | D | 95.7 | Very high | 94.5 | Very high | 96 Ų | 96 | 66.9 Ų | 66.9 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 178.4 | -63.6 | -17 | 0 | 0 | 0 | 111 | Q202 M204 I208 Q209 | Q202-D206 PolarHBondContact NE2-OD1 2.93Å; Q202-D206 PolarHBondContact O-N 3.15Å; M204-D206 VanDerWaalsContact C-N 3.33Å; M204-D206 PolarHBondContact O-N 3.1Å; D206-I208 VanDerWaalsContact C-N 3.27Å; D206-I208 PolarHBondContact O-N 3.42Å; D206-Q209 PolarHBondContact O-N 3.13Å; D206-Q209 VanDerWaalsContact O-N 3.11Å |
| 207 | K | 96.3 | Very high | 94.5 | Very high | 159 Ų | 159 | 66.9 Ų | 66.9 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.8 | -36.1 | 177.2 | -78.7 | 166.9 | -174.9 | 166.6 | 0 | 113.1 | E203 M204 | E203-K207 WeakPolarHBondContact O-CB 3.43Å; E203-K207 WeakPolarHBondContact O-CD 3.1Å; E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 2.89Å; M204-K207 PolarHBondContact O-N 3.44Å |
| 208 | I | 95.5 | Very high | 94.5 | Very high | 60 Ų | 60 | 66.8 Ų | 66.8 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 9.7 | 179.5 | 72.8 | -174.1 | 0 | 0 | 0 | 112.9 | V172 F175 M204 C205 D206 I210 | V172-I208 HydrophobicContact CG1-CD1 4.28Å; V172-I208 HydrophobicContact CG1-CG2 4.07Å; V172-I208 HydrophobicContact CG2-CG2 4.19Å; F175-I208 HydrophobicContact CD1-CD1 3.76Å; F175-I208 HydrophobicContact CE1-CD1 4.12Å; M204-I208 WeakPolarHBondContact O-CG1 3.29Å; M204-I208 PolarHBondContact O-N 3.1Å; C205-I208 CarbonylContact O-C 3.59Å; C205-I208 PolarHBondContact O-N 2.9Å; D206-I208 VanDerWaalsContact C-N 3.27Å; D206-I208 PolarHBondContact O-N 3.42Å; I208-I210 HydrophobicContact CD1-CD1 3.76Å; I208-I210 HydrophobicContact CD1-CG1 3.82Å; I208-I210 HydrophobicContact CG1-CD1 3.65Å; I208-I210 HydrophobicContact CG1-CG1 3.55Å |
| 209 | Q | 94.6 | Very high | 94.5 | Very high | 164 Ų | 164 | 65.5 Ų | 65.5 | 77% | 0.766 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 50 | 175.5 | -56.8 | -178.7 | 1.8 | 0 | 0 | 114.3 | C205 D206 S211 | C205-Q209 PolarHBondContact O-N 3.41Å; D206-Q209 PolarHBondContact O-N 3.13Å; D206-Q209 VanDerWaalsContact O-N 3.11Å; Q209-S211 PolarHBondContact O-N 3.48Å |
| 210 | I | 93.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 58.5 Ų | 58.5 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | trans | -71.7 | 127.4 | 174.1 | -57.4 | -55.2 | 0 | 0 | 0 | 110.5 | F175 L179 C205 I208 H214 L215 | F175-I210 HydrophobicContact CD1-CD1 4.46Å; F175-I210 HydrophobicContact CE1-CD1 3.65Å; F175-I210 HydrophobicContact CE1-CG1 3.66Å; F175-I210 HydrophobicContact CZ-CG1 4.33Å; L179-I210 HydrophobicContact CD1-CD1 4Å; C205-I210 HydrophobicContact CB-CB 4.05Å; C205-I210 HydrophobicContact CB-CG1 4.05Å; C205-I210 PolarHBondContact O-N 3.38Å; I208-I210 HydrophobicContact CD1-CD1 3.76Å; I208-I210 HydrophobicContact CD1-CG1 3.82Å; I208-I210 HydrophobicContact CG1-CD1 3.65Å; I208-I210 HydrophobicContact CG1-CG1 3.55Å; I210-H214 HydrophobicContact CG2-CB 4.21Å; I210-L215 HydrophobicContact CG2-CD1 4.15Å; I210-L215 HydrophobicContact CG2-CD2 4.02Å; I210-L215 HydrophobicContact CG2-CG 4Å | ||
| 211 | S | 90 | Very high | 94.5 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | trans | -107.7 | 163.1 | 172.5 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | Q209 S213 H214 | Q209-S211 PolarHBondContact O-N 3.48Å; S211-S213 PolarHBondContact O-N 2.94Å; S211-S213 PolarHBondContact OG-OG 3.41Å; S211-H214 PolarHBondContact N-ND1 3.26Å; S211-H214 WeakPolarHBondContact O-CB 3.48Å; S211-H214 PolarHBondContact O-N 3.22Å | ||
| 212 | D | 87.6 | Confident | 94.4 | Very high | 129 Ų | 129 | 56.4 Ų | 56.4 | 69% | 0.69 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -54.7 | -27 | 173.8 | -71 | -21.2 | 0 | 0 | 0 | 112.9 | H214 L215 | D212-H214 PolarHBondContact O-N 2.92Å; D212-L215 PolarHBondContact O-N 3.42Å; D212-L215 VanDerWaalsContact O-N 3.12Å |
| 213 | S | 89.6 | Confident | 94.4 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -64.7 | -27 | 177.4 | 77.8 | 0 | 0 | 0 | 0 | 113.3 | S211 K216 | S211-S213 PolarHBondContact O-N 2.94Å; S211-S213 PolarHBondContact OG-OG 3.41Å; S213-K216 WeakPolarHBondContact O-CE 3.3Å; S213-K216 WeakPolarHBondContact O-CG 3.35Å |
| 214 | H | 91.4 | Very high | 94.3 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 32% | 0.324 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -81.1 | -16.7 | 176.9 | -57 | 148 | 0 | 0 | 0 | 112.8 | L179 N183 I210 S211 D212 | L179-H214 HydrophobicContact CD2-CB 4.04Å; N183-H214 PolarHBondContact ND2-O 3.48Å; N183-H214 PolarHBondContact OD1-O 3.09Å; I210-H214 HydrophobicContact CG2-CB 4.21Å; S211-H214 PolarHBondContact N-ND1 3.26Å; S211-H214 WeakPolarHBondContact O-CB 3.48Å; S211-H214 PolarHBondContact O-N 3.22Å; D212-H214 PolarHBondContact O-N 2.92Å |
| 215 | L | 92.6 | Very high | 94 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -106.8 | 19.7 | -172.8 | -56.2 | -179.9 | 0 | 0 | 0 | 112.9 | F175 I210 D212 N217 I218 I220 M297 | F175-L215 HydrophobicContact CZ-CD2 4.17Å; I210-L215 HydrophobicContact CG2-CD1 4.15Å; I210-L215 HydrophobicContact CG2-CD2 4.02Å; I210-L215 HydrophobicContact CG2-CG 4Å; D212-L215 PolarHBondContact O-N 3.42Å; D212-L215 VanDerWaalsContact O-N 3.12Å; L215-N217 PolarHBondContact O-N 2.85Å; L215-I218 HydrophobicContact CB-CB 4.46Å; L215-I218 HydrophobicContact CD2-CB 4.12Å; L215-I218 HydrophobicContact CD2-CD1 3.96Å; L215-I218 HydrophobicContact CD2-CG2 4.43Å; L215-I218 PolarHBondContact O-N 2.89Å; L215-I218 VanDerWaalsContact O-N 3.12Å; L215-I220 HydrophobicContact CD1-CD1 4.36Å; L215-I220 HydrophobicContact CD2-CD1 4.14Å; L215-M297 HydrophobicContact CD1-CB 4.08Å; L215-M297 HydrophobicContact CD1-CE 3.64Å; L215-M297 HydrophobicContact CD1-CG 3.91Å; L215-M297 HydrophobicContact CD1-SD 3.53Å; L215-M297 VanDerWaalsContact CD1-SD 3.53Å |
| 216 | K | 91.3 | Very high | 93.6 | Very high | 141 Ų | 141 | 61.3 Ų | 61.3 | 61% | 0.613 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -31.6 | -178 | -70.9 | 176.1 | -173.5 | 178.9 | 0 | 113.8 | S213 L299 | S213-K216 WeakPolarHBondContact O-CE 3.3Å; S213-K216 WeakPolarHBondContact O-CG 3.35Å; K216-L299 VanDerWaalsContact O-CD2 3.27Å; K216-L299 WeakPolarHBondContact O-CD2 3.38Å |
| 217 | N | 93 | Very high | 93.4 | Very high | 42 Ų | 42 | 59.1 Ų | 59.1 | 23% | 0.225 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 13.6 | 178.7 | -69.4 | -14.6 | 0 | 0 | 0 | 112.6 | A182 V189 L215 | A182-N217 HydrophobicContact CB-CB 4.06Å; A182-N217 PolarHBondContact O-ND2 2.94Å; A182-N217 VanDerWaalsContact O-ND2 3.09Å; V189-N217 PolarHBondContact N-O 3.4Å; L215-N217 PolarHBondContact O-N 2.85Å |
| 218 | I | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.6 | -177 | -51.4 | 173.5 | 0 | 0 | 0 | 109 | I178 L179 A182 V189 L215 I220 G298 L299 | I178-I218 HydrophobicContact CG2-CD1 3.9Å; I178-I218 HydrophobicContact CG2-CG1 4.47Å; L179-I218 HydrophobicContact CD2-CD1 3.8Å; A182-I218 HydrophobicContact CB-CD1 3.65Å; A182-I218 HydrophobicContact CB-CG1 3.4Å; V189-I218 HydrophobicContact CB-CB 4.48Å; V189-I218 HydrophobicContact CB-CG1 4.2Å; V189-I218 HydrophobicContact CB-CG2 4.17Å; V189-I218 HydrophobicContact CG1-CG2 4.34Å; V189-I218 HydrophobicContact CG2-CG1 4.45Å; V189-I218 CarbonylContact O-C 3.51Å; V189-I218 WeakPolarHBondContact O-CA 3.47Å; L215-I218 HydrophobicContact CB-CB 4.46Å; L215-I218 HydrophobicContact CD2-CB 4.12Å; L215-I218 HydrophobicContact CD2-CD1 3.96Å; L215-I218 HydrophobicContact CD2-CG2 4.43Å; L215-I218 PolarHBondContact O-N 2.89Å; L215-I218 VanDerWaalsContact O-N 3.12Å; I218-I220 HydrophobicContact CB-CD1 4.38Å; I218-I220 HydrophobicContact CG2-CD1 3.47Å; I218-I220 VanDerWaalsContact CG2-CD1 3.47Å; I218-I220 HydrophobicContact CG2-CG1 4.2Å; I218-G298 WeakPolarHBondContact O-CA 3.32Å; I218-L299 WeakPolarHBondContact O-CB 3.44Å; I218-L299 PolarHBondContact O-N 2.93Å |
| 219 | S | 95.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 114.2 | 173.5 | 164.3 | 0 | 0 | 0 | 0 | 109.5 | V189 C190 V191 L299 | V189-S219 PolarHBondContact O-N 2.81Å; C190-S219 WeakPolarHBondContact CA-O 3.36Å; V191-S219 PolarHBondContact N-O 3.26Å; S219-L299 WeakPolarHBondContact CB-O 3.2Å; S219-L299 PolarHBondContact OG-O 2.76Å |
| 220 | I | 97.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.7 | 172 | -60 | 96.6 | 0 | 0 | 0 | 109.3 | V191 F201 L215 I218 V296 M297 | V191-I220 HydrophobicContact CB-CG1 4.16Å; V191-I220 HydrophobicContact CG2-CG1 4.37Å; F201-I220 HydrophobicContact CD1-CG2 4.35Å; F201-I220 HydrophobicContact CE1-CB 4.35Å; F201-I220 HydrophobicContact CE1-CD1 4.43Å; F201-I220 HydrophobicContact CE1-CG1 4.03Å; F201-I220 HydrophobicContact CE1-CG2 3.84Å; F201-I220 HydrophobicContact CZ-CD1 4.29Å; F201-I220 HydrophobicContact CZ-CG1 3.97Å; F201-I220 HydrophobicContact CZ-CG2 4.44Å; L215-I220 HydrophobicContact CD1-CD1 4.36Å; L215-I220 HydrophobicContact CD2-CD1 4.14Å; I218-I220 HydrophobicContact CB-CD1 4.38Å; I218-I220 HydrophobicContact CG2-CD1 3.47Å; I218-I220 VanDerWaalsContact CG2-CD1 3.47Å; I218-I220 HydrophobicContact CG2-CG1 4.2Å; I220-V296 HydrophobicContact CG2-CB 4.31Å; I220-V296 PolarHBondContact O-N 2.88Å; I220-M297 HydrophobicContact CB-CG 3.74Å; I220-M297 HydrophobicContact CD1-CG 3.68Å; I220-M297 HydrophobicContact CD1-SD 3.87Å; I220-M297 HydrophobicContact CG1-CG 4.14Å; I220-M297 HydrophobicContact CG2-CG 4.34Å; I220-M297 PolarHBondContact N-O 2.93Å; I220-M297 PolarHBondContact O-N 3.49Å |
| 221 | R | 97.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 6% | 0.06 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.8 | -176.7 | -49.4 | -177.5 | 65.4 | 90 | -0.5 | 109.8 | V191 L192 L193 S293 K294 | V191-R221 PolarHBondContact O-N 3.34Å; L192-R221 WeakPolarHBondContact CA-O 3.29Å; L192-R221 HydrophobicContact CD2-CB 3.89Å; L192-R221 HydrophobicContact CD2-CG 4.47Å; L193-R221 PolarHBondContact N-O 3.01Å; R221-S293 PolarHBondContact NE-OG 3.18Å; R221-S293 PolarHBondContact NH2-O 3.07Å; R221-K294 CarbonylContact C-O 3.58Å; R221-K294 WeakPolarHBondContact CA-O 3.24Å; R221-K294 WeakPolarHBondContact CB-O 3.24Å |
| 222 | S | 97.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 137.5 | 176.6 | 65.3 | 0 | 0 | 0 | 0 | 110.7 | L193 S293 K294 | L193-S222 CarbonylContact O-C 3.49Å; L193-S222 VanDerWaalsContact O-CA 3.24Å; L193-S222 WeakPolarHBondContact O-CA 3.35Å; S222-S293 CarbonylContact O-C 3.55Å; S222-S293 VanDerWaalsContact O-CA 3.28Å; S222-S293 WeakPolarHBondContact O-CA 3.47Å; S222-K294 PolarHBondContact N-O 2.73Å; S222-K294 PolarHBondContact O-N 3.24Å; S222-K294 PolarHBondContact OG-O 2.86Å |
| 223 | V | 96.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.2 | 172.4 | -71 | 0 | 0 | 0 | 0 | 109.8 | L165 L192 L193 D194 Q195 I240 L289 S293 | L165-V223 HydrophobicContact CD1-CG2 4.1Å; L192-V223 HydrophobicContact CB-CG1 4.11Å; L192-V223 HydrophobicContact CB-CG2 4.18Å; L192-V223 HydrophobicContact CD1-CG1 4.24Å; L192-V223 HydrophobicContact CD2-CG1 4.2Å; L192-V223 HydrophobicContact CG-CG1 4.41Å; L193-V223 WeakPolarHBondContact O-CG2 3.43Å; L193-V223 PolarHBondContact O-N 3.31Å; D194-V223 CarbonylContact C-O 3.57Å; D194-V223 WeakPolarHBondContact CA-O 3.34Å; Q195-V223 PolarHBondContact N-O 3.13Å; V223-I240 HydrophobicContact CB-CG1 4.37Å; V223-I240 HydrophobicContact CG2-CG1 3.94Å; V223-L289 HydrophobicContact CG1-CB 4.34Å; V223-L289 WeakPolarHBondContact CG1-O 3.31Å; V223-S293 VanDerWaalsContact CG1-CB 3.48Å |
| 224 | E | 94.4 | Very high | 91.8 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | trans | -132.4 | 149.9 | 177.4 | 65.5 | -162.1 | 168.8 | 0 | 0 | 108.6 | Q195 A237 K294 | Q195-E224 HydrophobicContact CB-CB 4.43Å; E224-A237 HydrophobicContact CB-CB 4.16Å; E224-A237 HydrophobicContact CG-CB 4.48Å; E224-K294 IonicContact OE1-NZ 3.82Å; E224-K294 PolarHBondContact OE1-NZ 3.03Å; E224-K294 IonicContact OE2-NZ 2.76Å; E224-K294 PolarHBondContact OE2-NZ 3.5Å | ||
| 225 | G | 91.9 | Very high | 91.8 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | trans | -75.5 | -174.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V227 G238 | G225-V227 PolarHBondContact O-N 2.9Å; G225-G238 VanDerWaalsContact CA-O 3.3Å; G225-G238 WeakPolarHBondContact CA-O 3.31Å; G225-G238 PolarHBondContact N-O 2.77Å | ||
| 226 | E | 88.9 | Confident | 91.7 | Very high | 157 Ų | 157 | 46.3 Ų | 46.3 | 73% | 0.734 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -53 | 139.7 | 177.6 | -69.7 | -62.8 | 140.2 | 0 | 0 | 112.3 | G238 | E226-G238 PolarHBondContact O-N 3.4Š|
| 227 | V | 89.9 | Confident | 91.8 | Very high | 49 Ų | 49 | 40.3 Ų | 40.3 | 30% | 0.297 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 117.7 | 179.5 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | G225 K235 F236 A237 | G225-V227 PolarHBondContact O-N 2.9Å; V227-K235 HydrophobicContact CG1-CB 3.89Å; V227-K235 HydrophobicContact CG1-CD 3.96Å; V227-K235 HydrophobicContact CG1-CG 4.34Å; V227-F236 WeakPolarHBondContact CA-O 3.48Å; V227-A237 HydrophobicContact CG2-CB 4.44Å |
| 228 | Y | 90.4 | Very high | 91.8 | Very high | 58 Ų | 58 | 39.3 Ų | 39.3 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135.7 | 168.5 | -174.1 | -84 | 0 | 0 | 0 | 109.8 | T39 D40 L43 K235 F236 | T39-Y228 HydrophobicContact CG2-CE1 3.99Å; T39-Y228 HydrophobicContact CG2-CE2 4.25Å; D40-Y228 PolarHBondContact OD1-OH 3.17Å; L43-Y228 HydrophobicContact CD1-CD1 3.47Å; L43-Y228 VanDerWaalsContact CD1-CD1 3.47Å; L43-Y228 HydrophobicContact CD1-CE1 3.51Å; Y228-K235 WeakPolarHBondContact O-CA 3.46Å; Y228-K235 WeakPolarHBondContact O-CB 3.32Å; Y228-F236 AromaticContact CD1-CD1 3.97Å; Y228-F236 HydrophobicContact CD1-CD1 3.97Å; Y228-F236 AromaticContact CD1-CE1 3.46Å; Y228-F236 HydrophobicContact CD1-CE1 3.46Å; Y228-F236 VanDerWaalsContact CD1-CE1 3.46Å; Y228-F236 HydrophobicContact CD1-CZ 4.41Å; Y228-F236 HydrophobicContact CD2-CE1 4.29Å; Y228-F236 HydrophobicContact CE1-CE1 4.36Å; Y228-F236 HydrophobicContact CG-CD1 4.12Å; Y228-F236 AromaticContact CG-CE1 3.41Å; Y228-F236 HydrophobicContact CG-CE1 3.41Å; Y228-F236 VanDerWaalsContact CG-CE1 3.41Å; Y228-F236 AromaticContact CG-CZ 3.95Å; Y228-F236 HydrophobicContact CG-CZ 3.95Å; Y228-F236 PolarHBondContact N-O 2.79Å; Y228-F236 PolarHBondContact O-N 3.39Å |
| 229 | C | 88.2 | Confident | 91.7 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 26% | 0.264 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.3 | 178.2 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | K235 | C229-K235 HydrophobicContact CB-CG 4.41Å; C229-K235 VanDerWaalsContact SG-CD 3.58Å; C229-K235 WeakPolarHBondContact SG-CE 3.46Å; C229-K235 PolarHBondContact SG-NZ 3.14Å; C229-K235 VanDerWaalsContact SG-NZ 3.4Å |
| 230 | A | 89.1 | Confident | 91.7 | Very high | 7 Ų | 7 | 45 Ų | 45 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | trans | -73 | 161.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D40 L43 S232 G233 R234 | D40-A230 HydrophobicContact CB-CB 4.48Å; D40-A230 VanDerWaalsContact OD1-CA 3.27Å; D40-A230 WeakPolarHBondContact OD1-CA 3.44Å; L43-A230 HydrophobicContact CB-CB 4.24Å; L43-A230 HydrophobicContact CD1-CB 3.9Å; A230-S232 PolarHBondContact O-N 2.84Å; A230-G233 PolarHBondContact O-N 2.8Å; A230-R234 HydrophobicContact CB-CB 4.44Å; A230-R234 PolarHBondContact N-O 2.99Å | ||
| 231 | K | 86.1 | Confident | 91.7 | Very high | 125 Ų | 125 | 54.3 Ų | 54.3 | 54% | 0.543 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.3 | 176 | -72.5 | 176.3 | -172.3 | 179.2 | 0 | 113.6 | E33 R36 D40 G233 | E33-K231 IonicContact OE1-NZ 3.97Å; R36-K231 VanDerWaalsContact CZ-CE 3.49Å; R36-K231 VanDerWaalsContact NH1-CE 3.29Å; R36-K231 VanDerWaalsContact NH2-CE 3.28Å; D40-K231 WeakPolarHBondContact OD2-CE 3.32Å; D40-K231 WeakPolarHBondContact OD2-CG 3.49Å; K231-G233 PolarHBondContact O-N 3.09Å |
| 232 | S | 85.6 | Confident | 91.7 | Very high | 68 Ų | 68 | 58.2 Ų | 58.2 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.6 | 174.2 | 63.4 | 0 | 0 | 0 | 0 | 114 | D44 A230 R234 | D44-S232 VanDerWaalsContact CG-OG 3.27Å; D44-S232 WeakPolarHBondContact OD1-CB 3.28Å; D44-S232 PolarHBondContact OD1-OG 2.86Å; D44-S232 WeakPolarHBondContact OD2-CB 3.32Å; D44-S232 PolarHBondContact OD2-OG 2.88Å; A230-S232 PolarHBondContact O-N 2.84Å; S232-R234 WeakPolarHBondContact OG-CG 3.34Å; S232-R234 PolarHBondContact OG-N 3.14Å; S232-R234 VanDerWaalsContact OG-N 3.16Å |
| 233 | G | 86.6 | Confident | 91.7 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 91.8 | -5.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A230 K231 K235 | A230-G233 PolarHBondContact O-N 2.8Å; K231-G233 PolarHBondContact O-N 3.09Å; G233-K235 WeakPolarHBondContact O-CG 3.47Å |
| 234 | R | 88.9 | Confident | 91.8 | Very high | 72 Ų | 72 | 59 Ų | 59 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 145.7 | 172.3 | -64.4 | -171.8 | 84.8 | 165.9 | 6.4 | 111.1 | L43 D44 E77 A230 S232 | L43-R234 WeakPolarHBondContact O-CD 3.11Å; L43-R234 VanDerWaalsContact O-CZ 3.28Å; L43-R234 PolarHBondContact O-NE 2.88Å; L43-R234 PolarHBondContact O-NH1 3.4Å; D44-R234 PolarHBondContact O-NH1 3.26Å; E77-R234 HydrophobicContact CG-CG 3.92Å; E77-R234 IonicContact OE1-NE 2.77Å; A230-R234 HydrophobicContact CB-CB 4.44Å; A230-R234 PolarHBondContact N-O 2.99Å; S232-R234 WeakPolarHBondContact OG-CG 3.34Å; S232-R234 PolarHBondContact OG-N 3.14Å; S232-R234 VanDerWaalsContact OG-N 3.16Å |
| 235 | K | 91.1 | Very high | 92 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 155 | -172.4 | -53 | -170.9 | -179.8 | -154.8 | 0 | 112.1 | A75 W76 R78 V227 Y228 C229 G233 | A75-K235 CarbonylContact C-O 3.56Å; A75-K235 WeakPolarHBondContact CA-O 3.43Å; W76-K235 VanDerWaalsContact CD1-O 3.26Å; W76-K235 HydrophobicContact CZ2-CB 4.36Å; W76-K235 HydrophobicContact CZ2-CD 4.33Å; W76-K235 PolarHBondContact N-O 3.37Å; W76-K235 PolarHBondContact O-N 3.11Å; R78-K235 VanDerWaalsContact NH1-NZ 3.14Å; V227-K235 HydrophobicContact CG1-CB 3.89Å; V227-K235 HydrophobicContact CG1-CD 3.96Å; V227-K235 HydrophobicContact CG1-CG 4.34Å; Y228-K235 WeakPolarHBondContact O-CA 3.46Å; Y228-K235 WeakPolarHBondContact O-CB 3.32Å; C229-K235 HydrophobicContact CB-CG 4.41Å; C229-K235 VanDerWaalsContact SG-CD 3.58Å; C229-K235 WeakPolarHBondContact SG-CE 3.46Å; C229-K235 PolarHBondContact SG-NZ 3.14Å; C229-K235 VanDerWaalsContact SG-NZ 3.4Å; G233-K235 WeakPolarHBondContact O-CG 3.47Å |
| 236 | F | 91.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 151.6 | 163.2 | 74.5 | -83.9 | 0 | 0 | 0 | 109.1 | L43 Y70 I71 Q74 V227 Y228 | L43-F236 HydrophobicContact CD1-CD1 3.73Å; L43-F236 HydrophobicContact CD1-CE1 3.84Å; L43-F236 HydrophobicContact CD2-CD1 3.69Å; L43-F236 HydrophobicContact CD2-CE1 4.36Å; L43-F236 HydrophobicContact CD2-CG 4.45Å; L43-F236 HydrophobicContact CG-CD1 4.21Å; L43-F236 HydrophobicContact CG-CE1 4.46Å; Y70-F236 AromaticContact CE1-CD2 3.99Å; Y70-F236 HydrophobicContact CE1-CD2 3.99Å; Y70-F236 HydrophobicContact CE1-CE2 4.26Å; I71-F236 HydrophobicContact CD1-CZ 4.33Å; I71-F236 HydrophobicContact CG1-CD2 4.45Å; I71-F236 HydrophobicContact CG1-CE1 4.2Å; I71-F236 HydrophobicContact CG1-CE2 3.98Å; I71-F236 HydrophobicContact CG1-CZ 3.84Å; I71-F236 HydrophobicContact CG2-CD1 4.11Å; I71-F236 HydrophobicContact CG2-CE1 4.03Å; Q74-F236 HydrophobicContact CB-CB 4.12Å; V227-F236 WeakPolarHBondContact CA-O 3.48Å; Y228-F236 AromaticContact CD1-CD1 3.97Å; Y228-F236 HydrophobicContact CD1-CD1 3.97Å; Y228-F236 AromaticContact CD1-CE1 3.46Å; Y228-F236 HydrophobicContact CD1-CE1 3.46Å; Y228-F236 VanDerWaalsContact CD1-CE1 3.46Å; Y228-F236 HydrophobicContact CD1-CZ 4.41Å; Y228-F236 HydrophobicContact CD2-CE1 4.29Å; Y228-F236 HydrophobicContact CE1-CE1 4.36Å; Y228-F236 HydrophobicContact CG-CD1 4.12Å; Y228-F236 AromaticContact CG-CE1 3.41Å; Y228-F236 HydrophobicContact CG-CE1 3.41Å; Y228-F236 VanDerWaalsContact CG-CE1 3.41Å; Y228-F236 AromaticContact CG-CZ 3.95Å; Y228-F236 HydrophobicContact CG-CZ 3.95Å; Y228-F236 PolarHBondContact N-O 2.79Å; Y228-F236 PolarHBondContact O-N 3.39Å |
| 237 | A | 92.5 | Very high | 92.7 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 145 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y70 E224 V227 | Y70-A237 PolarHBondContact OH-O 3.13Å; E224-A237 HydrophobicContact CB-CB 4.16Å; E224-A237 HydrophobicContact CG-CB 4.48Å; V227-A237 HydrophobicContact CG2-CB 4.44Å |
| 238 | G | 92.6 | Very high | 93 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 159.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G225 E226 | G225-G238 VanDerWaalsContact CA-O 3.3Å; G225-G238 WeakPolarHBondContact CA-O 3.31Å; G225-G238 PolarHBondContact N-O 2.77Å; E226-G238 PolarHBondContact O-N 3.4Å |
| 239 | Q | 93.8 | Very high | 93.2 | Very high | 103 Ų | 103 | 44.3 Ų | 44.3 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -86.8 | 141.1 | 173.1 | -60.1 | -175.5 | -43.4 | 0 | 0 | 111 | Y70 R241 | Y70-Q239 HydrophobicContact CD2-CG 4.46Å; Y70-Q239 HydrophobicContact CE1-CG 4.37Å; Y70-Q239 HydrophobicContact CE2-CG 3.51Å; Y70-Q239 VanDerWaalsContact CE2-NE2 3.25Å; Y70-Q239 VanDerWaalsContact CZ-CG 3.45Å; Y70-Q239 WeakPolarHBondContact OH-CG 3.35Å; Q239-R241 HydrophobicContact CB-CG 4.38Å; Q239-R241 PolarHBondContact O-N 3.32Å |
| 240 | I | 96.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | trans | -80.2 | 104.7 | 167.2 | -55.6 | -60.3 | 0 | 0 | 0 | 108.6 | L165 D194 V223 E242 L289 | L165-I240 HydrophobicContact CD1-CG2 4.05Å; L165-I240 HydrophobicContact CD2-CG2 4.15Å; L165-I240 HydrophobicContact CG-CG2 4.28Å; D194-I240 HydrophobicContact CB-CB 4.29Å; D194-I240 PolarHBondContact OD1-N 2.73Å; V223-I240 HydrophobicContact CB-CG1 4.37Å; V223-I240 HydrophobicContact CG2-CG1 3.94Å; I240-E242 HydrophobicContact CG2-CB 4.32Å; I240-L289 HydrophobicContact CD1-CD2 4.2Å | ||
| 241 | R | 96.4 | Very high | 93.9 | Very high | 198 Ų | 198 | 46.6 Ų | 46.6 | 75% | 0.747 | 23% | 0.226 | S | C | * | . | trans | -93.1 | -9.3 | 178.8 | -58 | -166.4 | 71.3 | 177.5 | 3.5 | 113.5 | Q239 K243 | Q239-R241 HydrophobicContact CB-CG 4.38Å; Q239-R241 PolarHBondContact O-N 3.32Å; R241-K243 WeakPolarHBondContact O-CE 3.44Å | ||
| 242 | E | 96.8 | Very high | 94.5 | Very high | 97 Ų | 97 | 40.7 Ų | 40.7 | 45% | 0.453 | 20% | 0.2 | S | C | . | . | trans | -70 | 140.3 | 179.2 | -63.2 | -178 | -170.2 | 0 | 0 | 110.9 | L165 I240 | L165-E242 HydrophobicContact CD2-CB 3.65Å; I240-E242 HydrophobicContact CG2-CB 4.32Å | ||
| 243 | K | 98.3 | Very high | 95.1 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | trans | -140.4 | 117.8 | -176.8 | -74.5 | 168.4 | -84.5 | -139.7 | 0 | 109.9 | L165 M166 D167 R241 S254 G255 S256 S258 | L165-K243 WeakPolarHBondContact O-CA 3.28Å; M166-K243 HydrophobicContact SD-CD 4.21Å; M166-K243 HydrophobicContact SD-CG 4Å; D167-K243 WeakPolarHBondContact OD1-CD 3.38Å; D167-K243 IonicContact OD1-NZ 2.73Å; D167-K243 IonicContact OD2-NZ 3.32Å; D167-K243 PolarHBondContact OD2-NZ 3.31Å; R241-K243 WeakPolarHBondContact O-CE 3.44Å; K243-S254 WeakPolarHBondContact O-CA 3.16Å; K243-S254 WeakPolarHBondContact O-CB 3.24Å; K243-S254 PolarHBondContact O-OG 2.78Å; K243-G255 PolarHBondContact O-N 3.23Å; K243-S256 PolarHBondContact NZ-O 3.12Å; K243-S258 PolarHBondContact NZ-OG 3.04Å | ||
| 244 | F | 98.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.022 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 159.8 | 172.8 | 62.7 | -100.5 | 0 | 0 | 0 | 113.2 | I164 L165 I246 V252 L253 F282 E285 F286 | I164-F244 WeakPolarHBondContact CA-O 3.47Å; L165-F244 HydrophobicContact CB-CD1 4.06Å; L165-F244 HydrophobicContact CB-CD2 4.37Å; L165-F244 HydrophobicContact CB-CE1 3.86Å; L165-F244 HydrophobicContact CB-CE2 4.15Å; L165-F244 HydrophobicContact CB-CG 4.32Å; L165-F244 HydrophobicContact CB-CZ 3.9Å; L165-F244 HydrophobicContact CD2-CD1 3.87Å; L165-F244 HydrophobicContact CD2-CE1 3.32Å; L165-F244 HydrophobicContact CD2-CZ 3.93Å; L165-F244 HydrophobicContact CG-CE1 4.24Å; L165-F244 PolarHBondContact N-O 3.21Å; L165-F244 PolarHBondContact O-N 3.39Å; L165-F244 VanDerWaalsContact O-N 3.14Å; F244-I246 HydrophobicContact CD2-CD1 4.27Å; F244-I246 HydrophobicContact CD2-CG1 3.8Å; F244-I246 HydrophobicContact CE2-CD1 3.85Å; F244-I246 HydrophobicContact CE2-CG1 3.86Å; F244-V252 HydrophobicContact CB-CG1 3.87Å; F244-V252 HydrophobicContact CD2-CG1 4.48Å; F244-V252 HydrophobicContact CG-CG1 4.47Å; F244-L253 CarbonylContact C-O 3.56Å; F244-L253 WeakPolarHBondContact CA-O 3.27Å; F244-L253 WeakPolarHBondContact CB-O 3.13Å; F244-F282 HydrophobicContact CB-CD1 4.16Å; F244-F282 HydrophobicContact CB-CE1 4.26Å; F244-F282 AromaticContact CD1-CD1 3.84Å; F244-F282 HydrophobicContact CD1-CD1 3.84Å; F244-F282 HydrophobicContact CD1-CE1 4.28Å; F244-F282 HydrophobicContact CD2-CD1 4.21Å; F244-F282 HydrophobicContact CE1-CD1 4.23Å; F244-F282 AromaticContact CG-CD1 3.82Å; F244-F282 HydrophobicContact CG-CD1 3.82Å; F244-F282 HydrophobicContact CG-CE1 4.33Å; F244-E285 HydrophobicContact CE1-CG 4.4Å; F244-F286 HydrophobicContact CE2-CB 4.27Å; F244-F286 HydrophobicContact CZ-CB 4.21Å |
| 245 | I | 98.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.6 | 176.6 | -53.6 | 173.4 | 0 | 0 | 0 | 107.4 | V151 L162 V163 I164 V252 L253 F259 | V151-I245 HydrophobicContact CG1-CD1 3.94Å; L162-I245 HydrophobicContact CD1-CG2 3.44Å; L162-I245 VanDerWaalsContact CD1-CG2 3.44Å; L162-I245 HydrophobicContact CG-CG2 4.48Å; V163-I245 CarbonylContact O-C 3.6Å; V163-I245 VanDerWaalsContact O-CA 3.28Å; V163-I245 WeakPolarHBondContact O-CA 3.49Å; I164-I245 HydrophobicContact CG1-CG1 4.35Å; I164-I245 HydrophobicContact CG1-CG2 4.19Å; I245-V252 CarbonylContact O-C 3.57Å; I245-V252 VanDerWaalsContact O-CA 3.22Å; I245-V252 WeakPolarHBondContact O-CA 3.22Å; I245-L253 HydrophobicContact CB-CB 4.47Å; I245-L253 PolarHBondContact N-O 3.02Å; I245-L253 PolarHBondContact O-N 2.69Å; I245-F259 HydrophobicContact CD1-CE1 4.12Å; I245-F259 HydrophobicContact CD1-CZ 3.74Å; I245-F259 HydrophobicContact CG1-CZ 4.29Å |
| 246 | I | 98.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.7 | 170.3 | -40.5 | -176.5 | 0 | 0 | 0 | 107.9 | V163 F244 W249 V252 V279 F282 F286 | V163-I246 HydrophobicContact CB-CB 4.07Å; V163-I246 HydrophobicContact CB-CG1 4.29Å; V163-I246 HydrophobicContact CG1-CD1 4.34Å; V163-I246 HydrophobicContact CG1-CG1 4.36Å; V163-I246 PolarHBondContact N-O 3.49Å; V163-I246 PolarHBondContact O-N 2.97Å; F244-I246 HydrophobicContact CD2-CD1 4.27Å; F244-I246 HydrophobicContact CD2-CG1 3.8Å; F244-I246 HydrophobicContact CE2-CD1 3.85Å; F244-I246 HydrophobicContact CE2-CG1 3.86Å; I246-W249 HydrophobicContact CD1-CZ3 4.08Å; I246-W249 HydrophobicContact CG2-CE3 3.87Å; I246-W249 HydrophobicContact CG2-CZ3 4.25Å; I246-V252 HydrophobicContact CB-CG2 4.4Å; I246-V252 HydrophobicContact CG1-CG2 4.01Å; I246-V252 HydrophobicContact CG2-CG2 4.16Å; I246-V279 HydrophobicContact CG2-CG1 4.2Å; I246-F282 HydrophobicContact CD1-CB 4.09Å; I246-F286 HydrophobicContact CD1-CB 4.39Å |
| 247 | S | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.1 | 177.2 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | T158 W249 R250 F251 | T158-S247 WeakPolarHBondContact CB-OG 3.24Å; T158-S247 WeakPolarHBondContact CG2-OG 3.4Å; T158-S247 PolarHBondContact OG1-OG 3.18Å; S247-W249 PolarHBondContact O-N 3.27Å; S247-R250 PolarHBondContact O-N 2.91Å; S247-F251 PolarHBondContact N-O 3.32Å; S247-F251 VanDerWaalsContact N-O 3.07Å; S247-F251 PolarHBondContact O-N 3.23Å |
| 248 | D | 95.4 | Very high | 97 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 14% | 0.139 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 25.2 | 173.3 | -57.5 | -45.7 | 0 | 0 | 0 | 115.1 | T158 S159 Q160 V161 R250 | T158-D248 WeakPolarHBondContact CA-OD2 3.5Å; T158-D248 WeakPolarHBondContact CG2-OD1 3.45Å; S159-D248 VanDerWaalsContact N-CG 3.33Å; S159-D248 PolarHBondContact N-OD1 3.08Å; S159-D248 PolarHBondContact N-OD2 2.88Å; Q160-D248 PolarHBondContact N-OD1 3.05Å; V161-D248 PolarHBondContact N-OD1 2.9Å; V161-D248 VanDerWaalsContact N-OD1 3.15Å; V161-D248 PolarHBondContact O-N 3.28Å; D248-R250 HydrophobicContact CB-CB 4.48Å; D248-R250 PolarHBondContact O-N 3.07Å; D248-R250 VanDerWaalsContact O-N 3.07Å |
| 249 | W | 95.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 4% | 0.038 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 33.9 | -170.4 | -52.8 | 115 | 0 | 0 | 0 | 112.6 | P127 Y128 V161 V163 I246 S247 D283 F286 | P127-W249 WeakPolarHBondContact CD-O 3.38Å; Y128-W249 WeakPolarHBondContact CB-O 3.35Å; Y128-W249 HydrophobicContact CD1-CB 4Å; Y128-W249 WeakPolarHBondContact CD1-O 3.45Å; Y128-W249 HydrophobicContact CE1-CB 4.29Å; Y128-W249 HydrophobicContact CE1-CE3 4.39Å; Y128-W249 PolarHBondContact N-O 3.2Å; V161-W249 HydrophobicContact CG1-CG 4.39Å; V163-W249 HydrophobicContact CG2-CH2 4.17Å; V163-W249 HydrophobicContact CG2-CZ2 4.41Å; I246-W249 HydrophobicContact CD1-CZ3 4.08Å; I246-W249 HydrophobicContact CG2-CE3 3.87Å; I246-W249 HydrophobicContact CG2-CZ3 4.25Å; S247-W249 PolarHBondContact O-N 3.27Å; W249-D283 HydrophobicContact CE3-CB 4.36Å; W249-D283 HydrophobicContact CZ3-CB 3.83Å; W249-D283 WeakPolarHBondContact CZ3-OD1 3.36Å; W249-F286 HydrophobicContact CH2-CD1 4.16Å; W249-F286 HydrophobicContact CH2-CE1 4.32Å |
| 250 | R | 94.8 | Very high | 97.5 | Very high | 83 Ų | 83 | 30 Ų | 30 | 31% | 0.313 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -38.3 | -176.3 | -173.7 | 173.2 | 170.5 | -164 | -11.1 | 112.3 | S247 D248 S332 | S247-R250 PolarHBondContact O-N 2.91Å; D248-R250 HydrophobicContact CB-CB 4.48Å; D248-R250 PolarHBondContact O-N 3.07Å; D248-R250 VanDerWaalsContact O-N 3.07Å; R250-S332 PolarHBondContact NH2-O 3.24Å; R250-S332 VanDerWaalsContact NH2-O 3.12Å |
| 251 | F | 97.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 5% | 0.053 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 158.9 | 176.7 | 68.9 | -87.8 | 0 | 0 | 0 | 111.4 | C154 S247 L253 K273 F274 T275 P334 F335 | C154-F251 HydrophobicContact CB-CE2 4.38Å; C154-F251 HydrophobicContact CB-CZ 4.49Å; C154-F251 WeakPolarHBondContact SG-CE2 3.23Å; S247-F251 PolarHBondContact N-O 3.32Å; S247-F251 VanDerWaalsContact N-O 3.07Å; S247-F251 PolarHBondContact O-N 3.23Å; F251-L253 HydrophobicContact CD2-CG 4.35Å; F251-L253 HydrophobicContact CE2-CD1 4.48Å; F251-L253 HydrophobicContact CE2-CG 4.1Å; F251-K273 HydrophobicContact CD2-CG 4.29Å; F251-F274 CarbonylContact C-O 3.52Å; F251-F274 WeakPolarHBondContact CA-O 3.38Å; F251-F274 WeakPolarHBondContact CB-O 3.37Å; F251-T275 HydrophobicContact CB-CG2 3.86Å; F251-P334 HydrophobicContact CE1-CG 4.16Å; F251-P334 HydrophobicContact CZ-CG 4.48Å; F251-F335 HydrophobicContact CE2-CE2 4.04Å; F251-F335 HydrophobicContact CE2-CZ 4.03Å; F251-F335 HydrophobicContact CZ-CE2 4.29Å; F251-F335 HydrophobicContact CZ-CZ 4.33Å |
| 252 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.9 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | F244 I245 I246 K273 F274 V279 F282 | F244-V252 HydrophobicContact CB-CG1 3.87Å; F244-V252 HydrophobicContact CD2-CG1 4.48Å; F244-V252 HydrophobicContact CG-CG1 4.47Å; I245-V252 CarbonylContact O-C 3.57Å; I245-V252 VanDerWaalsContact O-CA 3.22Å; I245-V252 WeakPolarHBondContact O-CA 3.22Å; I246-V252 HydrophobicContact CB-CG2 4.4Å; I246-V252 HydrophobicContact CG1-CG2 4.01Å; I246-V252 HydrophobicContact CG2-CG2 4.16Å; V252-K273 CarbonylContact O-C 3.59Å; V252-K273 VanDerWaalsContact O-CA 3.24Å; V252-K273 WeakPolarHBondContact O-CA 3.39Å; V252-F274 HydrophobicContact CB-CB 4.34Å; V252-F274 PolarHBondContact N-O 3.07Å; V252-F274 PolarHBondContact O-N 3.16Å; V252-V279 HydrophobicContact CG2-CB 4.21Å; V252-V279 HydrophobicContact CG2-CG1 3.78Å; V252-V279 HydrophobicContact CG2-CG2 4.07Å; V252-F282 HydrophobicContact CB-CD2 4.32Å; V252-F282 HydrophobicContact CB-CG 4.38Å; V252-F282 HydrophobicContact CG1-CB 4.45Å; V252-F282 HydrophobicContact CG1-CD1 3.79Å; V252-F282 HydrophobicContact CG1-CD2 4.19Å; V252-F282 HydrophobicContact CG1-CE1 3.98Å; V252-F282 HydrophobicContact CG1-CE2 4.37Å; V252-F282 HydrophobicContact CG1-CG 3.9Å; V252-F282 HydrophobicContact CG1-CZ 4.27Å; V252-F282 HydrophobicContact CG2-CB 3.93Å; V252-F282 HydrophobicContact CG2-CD2 4.03Å; V252-F282 HydrophobicContact CG2-CG 3.98Å |
| 253 | L | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.6 | 159.9 | -66.2 | -178.9 | 0 | 0 | 0 | 108.7 | C154 F244 I245 F251 L271 S272 K273 F335 | C154-L253 HydrophobicContact CB-CD1 3.44Å; C154-L253 VanDerWaalsContact CB-CD1 3.44Å; F244-L253 CarbonylContact C-O 3.56Å; F244-L253 WeakPolarHBondContact CA-O 3.27Å; F244-L253 WeakPolarHBondContact CB-O 3.13Å; I245-L253 HydrophobicContact CB-CB 4.47Å; I245-L253 PolarHBondContact N-O 3.02Å; I245-L253 PolarHBondContact O-N 2.69Å; F251-L253 HydrophobicContact CD2-CG 4.35Å; F251-L253 HydrophobicContact CE2-CD1 4.48Å; F251-L253 HydrophobicContact CE2-CG 4.1Å; L253-L271 HydrophobicContact CB-CD1 4.27Å; L253-L271 HydrophobicContact CD1-CD2 4.21Å; L253-L271 HydrophobicContact CD2-CD2 4.16Å; L253-L271 HydrophobicContact CD2-CG 4.48Å; L253-S272 CarbonylContact C-O 3.54Å; L253-S272 WeakPolarHBondContact CA-O 3.4Å; L253-K273 HydrophobicContact CD2-CB 3.66Å; L253-K273 HydrophobicContact CD2-CG 3.93Å; L253-F335 HydrophobicContact CD1-CZ 4.41Å; L253-F335 HydrophobicContact CD2-CZ 4.45Å |
| 254 | S | 98.6 | Very high | 97.1 | Very high | 28 Ų | 28 | 25.5 Ų | 25.5 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 146.4 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | K243 L271 S272 | K243-S254 WeakPolarHBondContact O-CA 3.16Å; K243-S254 WeakPolarHBondContact O-CB 3.24Å; K243-S254 PolarHBondContact O-OG 2.78Å; S254-L271 CarbonylContact O-C 3.54Å; S254-S272 PolarHBondContact N-O 3.26Å; S254-S272 PolarHBondContact O-N 3.32Å |
| 255 | G | 97.7 | Very high | 96.7 | Very high | 23 Ų | 23 | 29.3 Ų | 29.3 | 24% | 0.237 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | -159.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K243 I270 | K243-G255 PolarHBondContact O-N 3.23Å; G255-I270 VanDerWaalsContact CA-O 3.32Å; G255-I270 WeakPolarHBondContact CA-O 3.34Å |
| 256 | S | 97.6 | Very high | 96.4 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 30% | 0.301 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -87.4 | -10.7 | -177.4 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | K243 S258 N269 I270 | K243-S256 PolarHBondContact NZ-O 3.12Å; S256-S258 PolarHBondContact O-N 3.43Å; S256-N269 PolarHBondContact O-OD1 3.24Å; S256-N269 VanDerWaalsContact OG-CA 3.27Å; S256-N269 WeakPolarHBondContact OG-CA 3.36Å; S256-N269 WeakPolarHBondContact OG-CB 3.3Å; S256-N269 PolarHBondContact OG-OD1 3Å; S256-I270 PolarHBondContact N-O 2.74Å; S256-I270 PolarHBondContact OG-N 3.42Å; S256-I270 VanDerWaalsContact OG-N 3.08Å |
| 257 | Y | 97.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | trans | -72.8 | 109.3 | -172 | -171.1 | -85.7 | 0 | 0 | 0 | 112 | I147 R148 V151 F259 C263 G264 N269 | I147-Y257 HydrophobicContact CB-CD2 4.43Å; I147-Y257 HydrophobicContact CG2-CD2 3.7Å; I147-Y257 HydrophobicContact CG2-CG 4.04Å; R148-Y257 HydrophobicContact CB-CE2 4.19Å; R148-Y257 WeakPolarHBondContact CG-OH 3.43Å; V151-Y257 HydrophobicContact CG1-CE1 4.4Å; V151-Y257 HydrophobicContact CG2-CD1 4.04Å; V151-Y257 HydrophobicContact CG2-CE1 4.42Å; V151-Y257 HydrophobicContact CG2-CG 4.45Å; Y257-F259 HydrophobicContact CD1-CD1 4.1Å; Y257-F259 HydrophobicContact CD1-CE1 4.39Å; Y257-F259 HydrophobicContact CE1-CD1 4Å; Y257-F259 HydrophobicContact CE1-CE1 4.48Å; Y257-C263 HydrophobicContact CD2-CB 3.97Å; Y257-C263 HydrophobicContact CE2-CB 3.87Å; Y257-C263 WeakPolarHBondContact CE2-O 3.41Å; Y257-C263 HydrophobicContact CG-CB 4.38Å; Y257-G264 VanDerWaalsContact OH-CA 3.28Å; Y257-G264 WeakPolarHBondContact OH-CA 3.47Å; Y257-N269 HydrophobicContact CD2-CB 4.22Å | ||
| 258 | S | 98.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | trans | -86.7 | 154.9 | 169 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | D167 K243 S256 T260 C263 | D167-S258 VanDerWaalsContact CG-OG 3.23Å; D167-S258 WeakPolarHBondContact OD1-CB 3.46Å; D167-S258 PolarHBondContact OD1-OG 2.84Å; D167-S258 PolarHBondContact OD2-OG 3.26Å; K243-S258 PolarHBondContact NZ-OG 3.04Å; S256-S258 PolarHBondContact O-N 3.43Å; S258-T260 PolarHBondContact O-N 2.62Å; S258-C263 PolarHBondContact N-SG 3.15Å; S258-C263 WeakPolarHBondContact O-CB 3.42Å | ||
| 259 | F | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -80.1 | 65.7 | 179.7 | -68.7 | -5.6 | 0 | 0 | 0 | 111.4 | V151 I155 I164 M166 V168 F169 T170 D171 I174 I245 Y257 | V151-F259 HydrophobicContact CG1-CE1 3.66Å; V151-F259 HydrophobicContact CG1-CZ 4.2Å; I155-F259 HydrophobicContact CD1-CZ 4.34Å; I164-F259 HydrophobicContact CD1-CE2 4.25Å; I164-F259 HydrophobicContact CG2-CE2 3.86Å; I164-F259 HydrophobicContact CG2-CZ 4.21Å; M166-F259 HydrophobicContact CE-CD1 3.56Å; M166-F259 HydrophobicContact CE-CD2 3.95Å; M166-F259 HydrophobicContact CE-CE1 3.44Å; M166-F259 VanDerWaalsContact CE-CE1 3.44Å; M166-F259 HydrophobicContact CE-CE2 3.86Å; M166-F259 HydrophobicContact CE-CG 3.82Å; M166-F259 HydrophobicContact CE-CZ 3.61Å; M166-F259 HydrophobicContact CG-CB 4.38Å; M166-F259 HydrophobicContact CG-CD2 4.21Å; M166-F259 HydrophobicContact CG-CG 4.23Å; M166-F259 HydrophobicContact SD-CB 4.37Å; M166-F259 HydrophobicContact SD-CD1 4.09Å; M166-F259 HydrophobicContact SD-CD2 4.45Å; M166-F259 HydrophobicContact SD-CG 4.04Å; V168-F259 PolarHBondContact O-N 3.19Å; V168-F259 VanDerWaalsContact O-N 3.14Å; F169-F259 WeakPolarHBondContact CA-O 3.45Å; F169-F259 HydrophobicContact CB-CB 4.33Å; F169-F259 AromaticContact CD1-CD2 3.85Å; F169-F259 HydrophobicContact CD1-CD2 3.85Å; F169-F259 HydrophobicContact CD2-CB 3.48Å; F169-F259 VanDerWaalsContact CD2-CB 3.48Å; F169-F259 AromaticContact CD2-CD2 3.81Å; F169-F259 HydrophobicContact CD2-CD2 3.81Å; F169-F259 HydrophobicContact CD2-CG 4.16Å; F169-F259 AromaticContact CE1-CD2 3.73Å; F169-F259 HydrophobicContact CE1-CD2 3.73Å; F169-F259 HydrophobicContact CE1-CE2 4.2Å; F169-F259 HydrophobicContact CE2-CB 3.89Å; F169-F259 AromaticContact CE2-CD2 3.68Å; F169-F259 HydrophobicContact CE2-CD2 3.68Å; F169-F259 HydrophobicContact CE2-CG 4.23Å; F169-F259 HydrophobicContact CG-CB 3.95Å; F169-F259 AromaticContact CG-CD2 3.89Å; F169-F259 HydrophobicContact CG-CD2 3.89Å; F169-F259 HydrophobicContact CG-CG 4.47Å; F169-F259 AromaticContact CZ-CD2 3.63Å; F169-F259 HydrophobicContact CZ-CD2 3.63Å; F169-F259 HydrophobicContact CZ-CE2 4.21Å; T170-F259 PolarHBondContact N-O 3.04Å; D171-F259 PolarHBondContact N-O 3.34Å; I174-F259 HydrophobicContact CG2-CD1 4.2Å; I174-F259 HydrophobicContact CG2-CD2 3.67Å; I174-F259 HydrophobicContact CG2-CE1 4.23Å; I174-F259 HydrophobicContact CG2-CE2 3.68Å; I174-F259 HydrophobicContact CG2-CG 3.92Å; I174-F259 HydrophobicContact CG2-CZ 3.97Å; I245-F259 HydrophobicContact CD1-CE1 4.12Å; I245-F259 HydrophobicContact CD1-CZ 3.74Å; I245-F259 HydrophobicContact CG1-CZ 4.29Å; Y257-F259 HydrophobicContact CD1-CD1 4.1Å; Y257-F259 HydrophobicContact CD1-CE1 4.39Å; Y257-F259 HydrophobicContact CE1-CD1 4Å; Y257-F259 HydrophobicContact CE1-CE1 4.48Å |
| 260 | T | 98.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 14% | 0.135 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -128.4 | 153.4 | 177.8 | 73.4 | 0 | 0 | 0 | 0 | 110.4 | V168 S258 L262 C263 G264 | V168-T260 HydrophobicContact CB-CG2 3.96Å; V168-T260 HydrophobicContact CG1-CG2 3.65Å; S258-T260 PolarHBondContact O-N 2.62Å; T260-L262 PolarHBondContact O-N 2.92Å; T260-C263 PolarHBondContact O-N 3.13Å; T260-C263 PolarHBondContact OG1-N 3.13Å; T260-G264 PolarHBondContact O-N 3.15Å |
| 261 | W | 96.6 | Very high | 96 | Very high | 150 Ų | 150 | 44.1 Ų | 44.1 | 57% | 0.568 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -57.2 | -39.2 | 177 | -175.2 | 91 | 0 | 0 | 0 | 112.2 | G264 H265 V266 | W261-G264 PolarHBondContact O-N 2.95Å; W261-G264 VanDerWaalsContact O-N 3.13Å; W261-H265 AromaticContact CD1-CE1 3.47Å; W261-H265 VanDerWaalsContact CD1-CE1 3.47Å; W261-H265 AromaticContact CD1-ND1 3.57Å; W261-H265 AromaticContact CD2-ND1 3.64Å; W261-H265 AromaticContact CE2-CE1 3.75Å; W261-H265 AromaticContact CE2-CG 3.77Å; W261-H265 AromaticContact CE2-ND1 3.43Å; W261-H265 HydrophobicContact CE3-CB 4.49Å; W261-H265 AromaticContact CG-ND1 3.72Å; W261-H265 HydrophobicContact CH2-CB 4.1Å; W261-H265 HydrophobicContact CZ2-CB 4.11Å; W261-H265 AromaticContact CZ2-CG 3.86Å; W261-H265 HydrophobicContact CZ3-CB 4.3Å; W261-H265 AromaticContact NE1-CE1 3.24Å; W261-H265 PolarHBondContact NE1-CE1 3.47Å; W261-H265 AromaticContact NE1-ND1 3.38Å; W261-H265 PolarHBondContact NE1-ND1 3.32Å; W261-H265 AromaticContact NE1-NE2 3.85Å; W261-H265 PolarHBondContact O-N 3.15Å; W261-H265 VanDerWaalsContact O-N 3.15Å; W261-H265 PolarHBondContact O-ND1 3.37Å; W261-V266 HydrophobicContact CZ3-CG2 4Å |
| 262 | L | 96.3 | Very high | 96 | Very high | 83 Ų | 83 | 44.8 Ų | 44.8 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 179.4 | -68.8 | 173 | 0 | 0 | 0 | 112.6 | T260 G264 H265 V266 H267 | T260-L262 PolarHBondContact O-N 2.92Å; L262-G264 PolarHBondContact O-N 3.25Å; L262-H265 PolarHBondContact O-N 3.33Å; L262-V266 HydrophobicContact CD2-CB 4.28Å; L262-V266 HydrophobicContact CD2-CG2 3.97Å; L262-V266 PolarHBondContact O-N 3.2Å; L262-H267 WeakPolarHBondContact CB-NE2 3.22Å; L262-H267 PolarHBondContact O-N 3.01Å |
| 263 | C | 95.3 | Very high | 96 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -34.7 | 172.9 | -80 | 0 | 0 | 0 | 0 | 112.1 | Y257 S258 T260 N269 | Y257-C263 HydrophobicContact CD2-CB 3.97Å; Y257-C263 HydrophobicContact CE2-CB 3.87Å; Y257-C263 WeakPolarHBondContact CE2-O 3.41Å; Y257-C263 HydrophobicContact CG-CB 4.38Å; S258-C263 PolarHBondContact N-SG 3.15Å; S258-C263 WeakPolarHBondContact O-CB 3.42Å; T260-C263 PolarHBondContact O-N 3.13Å; T260-C263 PolarHBondContact OG1-N 3.13Å; C263-N269 PolarHBondContact O-ND2 2.87Å |
| 264 | G | 91.8 | Very high | 96 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.3 | -24.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | Y257 T260 W261 L262 | Y257-G264 VanDerWaalsContact OH-CA 3.28Å; Y257-G264 WeakPolarHBondContact OH-CA 3.47Å; T260-G264 PolarHBondContact O-N 3.15Å; W261-G264 PolarHBondContact O-N 2.95Å; W261-G264 VanDerWaalsContact O-N 3.13Å; L262-G264 PolarHBondContact O-N 3.25Å |
| 265 | H | 90.3 | Very high | 96 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -128.8 | -32.7 | -167.2 | -62.3 | 88.1 | 0 | 0 | 0 | 114.9 | R148 W261 L262 | R148-H265 VanDerWaalsContact CZ-CE1 3.48Å; R148-H265 PolarHBondContact NH1-CE1 3.26Å; R148-H265 PolarHBondContact NH1-NE2 2.99Å; R148-H265 VanDerWaalsContact NH1-NE2 3.15Å; W261-H265 AromaticContact CD1-CE1 3.47Å; W261-H265 VanDerWaalsContact CD1-CE1 3.47Å; W261-H265 AromaticContact CD1-ND1 3.57Å; W261-H265 AromaticContact CD2-ND1 3.64Å; W261-H265 AromaticContact CE2-CE1 3.75Å; W261-H265 AromaticContact CE2-CG 3.77Å; W261-H265 AromaticContact CE2-ND1 3.43Å; W261-H265 HydrophobicContact CE3-CB 4.49Å; W261-H265 AromaticContact CG-ND1 3.72Å; W261-H265 HydrophobicContact CH2-CB 4.1Å; W261-H265 HydrophobicContact CZ2-CB 4.11Å; W261-H265 AromaticContact CZ2-CG 3.86Å; W261-H265 HydrophobicContact CZ3-CB 4.3Å; W261-H265 AromaticContact NE1-CE1 3.24Å; W261-H265 PolarHBondContact NE1-CE1 3.47Å; W261-H265 AromaticContact NE1-ND1 3.38Å; W261-H265 PolarHBondContact NE1-ND1 3.32Å; W261-H265 AromaticContact NE1-NE2 3.85Å; W261-H265 PolarHBondContact O-N 3.15Å; W261-H265 VanDerWaalsContact O-N 3.15Å; W261-H265 PolarHBondContact O-ND1 3.37Å; L262-H265 PolarHBondContact O-N 3.33Å |
| 266 | V | 91.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 56% | 0.564 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -45.8 | -168 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | W261 L262 | W261-V266 HydrophobicContact CZ3-CG2 4Å; L262-V266 HydrophobicContact CD2-CB 4.28Å; L262-V266 HydrophobicContact CD2-CG2 3.97Å; L262-V266 PolarHBondContact O-N 3.2Å |
| 267 | H | 92.8 | Very high | 95.8 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 40% | 0.398 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -76.2 | 145.6 | -175.7 | -57.8 | -34.3 | 0 | 0 | 0 | 111.8 | Q140 L262 N269 | Q140-H267 PolarHBondContact NE2-O 3.32Å; Q140-H267 PolarHBondContact OE1-O 3.38Å; Q140-H267 VanDerWaalsContact OE1-O 3.05Å; L262-H267 WeakPolarHBondContact CB-NE2 3.22Å; L262-H267 PolarHBondContact O-N 3.01Å; H267-N269 PolarHBondContact O-ND2 3.07Å |
| 268 | R | 93.1 | Very high | 95.7 | Very high | 173 Ų | 173 | 50.5 Ų | 50.5 | 65% | 0.653 | 25% | 0.247 | S | C | * | . | trans | -91.1 | 116.1 | 174.4 | -162.9 | 178.3 | 174.8 | 91.7 | 0.6 | 108.9 | Q140 | Q140-R268 HydrophobicContact CB-CG 4.13Å; Q140-R268 PolarHBondContact O-NH1 3.17Å; Q140-R268 PolarHBondContact O-NH2 3.48Å | ||
| 269 | N | 94.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | trans | -112.1 | 156.6 | -174.1 | -68.4 | -75 | 0 | 0 | 0 | 112.8 | Q140 I147 S256 Y257 C263 H267 | Q140-N269 PolarHBondContact N-O 2.93Å; I147-N269 HydrophobicContact CB-CB 4.38Å; I147-N269 HydrophobicContact CG1-CB 4.29Å; I147-N269 HydrophobicContact CG2-CB 4.01Å; S256-N269 PolarHBondContact O-OD1 3.24Å; S256-N269 VanDerWaalsContact OG-CA 3.27Å; S256-N269 WeakPolarHBondContact OG-CA 3.36Å; S256-N269 WeakPolarHBondContact OG-CB 3.3Å; S256-N269 PolarHBondContact OG-OD1 3Å; Y257-N269 HydrophobicContact CD2-CB 4.22Å; C263-N269 PolarHBondContact O-ND2 2.87Å; H267-N269 PolarHBondContact O-ND2 3.07Å | ||
| 270 | I | 95.9 | Very high | 95.6 | Very high | 68 Ų | 68 | 53.4 Ų | 53.4 | 35% | 0.349 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.8 | 167.4 | -170.8 | 176.1 | 0 | 0 | 0 | 108.9 | V137 F139 G255 S256 | V137-I270 HydrophobicContact CG1-CD1 3.84Å; V137-I270 HydrophobicContact CG1-CG1 3.9Å; F139-I270 HydrophobicContact CD1-CD1 4.14Å; F139-I270 HydrophobicContact CD1-CG1 4.07Å; F139-I270 HydrophobicContact CE1-CD1 3.46Å; F139-I270 VanDerWaalsContact CE1-CD1 3.46Å; F139-I270 HydrophobicContact CE1-CG1 3.89Å; F139-I270 HydrophobicContact CZ-CD1 4Å; G255-I270 VanDerWaalsContact CA-O 3.32Å; G255-I270 WeakPolarHBondContact CA-O 3.34Å; S256-I270 PolarHBondContact N-O 2.74Å; S256-I270 PolarHBondContact OG-N 3.42Å; S256-I270 VanDerWaalsContact OG-N 3.08Å |
| 271 | L | 97.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.7 | 175.9 | -166.7 | 73.3 | 0 | 0 | 0 | 110.1 | V137 Y138 I147 L150 V151 L253 S254 | V137-L271 CarbonylContact C-O 3.57Å; Y138-L271 PolarHBondContact N-O 2.62Å; Y138-L271 PolarHBondContact O-N 3.34Å; I147-L271 HydrophobicContact CD1-CB 3.71Å; I147-L271 HydrophobicContact CG2-CB 4.05Å; I147-L271 HydrophobicContact CG2-CD2 4.28Å; L150-L271 HydrophobicContact CB-CD2 3.86Å; L150-L271 HydrophobicContact CD1-CD2 4.14Å; V151-L271 HydrophobicContact CG2-CD1 4.48Å; V151-L271 HydrophobicContact CG2-CD2 4.27Å; L253-L271 HydrophobicContact CB-CD1 4.27Å; L253-L271 HydrophobicContact CD1-CD2 4.21Å; L253-L271 HydrophobicContact CD2-CD2 4.16Å; L253-L271 HydrophobicContact CD2-CG 4.48Å; S254-L271 CarbonylContact O-C 3.54Å |
| 272 | S | 97.5 | Very high | 95.5 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.3 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 109.1 | T136 L253 S254 | T136-S272 CarbonylContact O-C 3.05Å; T136-S272 WeakPolarHBondContact O-CA 3.29Å; L253-S272 CarbonylContact C-O 3.54Å; L253-S272 WeakPolarHBondContact CA-O 3.4Å; S254-S272 PolarHBondContact N-O 3.26Å; S254-S272 PolarHBondContact O-N 3.32Å |
| 273 | K | 97.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.4 | 173.6 | 180 | -175.8 | 173.7 | -171.9 | 0 | 109.7 | A135 T136 Y138 F251 V252 L253 N333 F335 | A135-K273 CarbonylContact C-O 3.57Å; A135-K273 VanDerWaalsContact CA-O 3.31Å; A135-K273 WeakPolarHBondContact CA-O 3.23Å; T136-K273 PolarHBondContact N-O 2.97Å; T136-K273 PolarHBondContact O-N 3.41Å; Y138-K273 HydrophobicContact CE2-CB 3.77Å; F251-K273 HydrophobicContact CD2-CG 4.29Å; V252-K273 CarbonylContact O-C 3.59Å; V252-K273 VanDerWaalsContact O-CA 3.24Å; V252-K273 WeakPolarHBondContact O-CA 3.39Å; L253-K273 HydrophobicContact CD2-CB 3.66Å; L253-K273 HydrophobicContact CD2-CG 3.93Å; K273-N333 PolarHBondContact NZ-OD1 2.8Å; K273-F335 HydrophobicContact CD-CD2 3.85Å; K273-F335 HydrophobicContact CD-CE2 3.61Å; K273-F335 VanDerWaalsContact NZ-CD2 3.3Å |
| 274 | F | 98.4 | Very high | 95.4 | Very high | 49 Ų | 49 | 51.3 Ų | 51.3 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140 | 175 | -57.2 | -84.8 | 0 | 0 | 0 | 110.5 | S134 A135 F251 V252 A278 F282 | S134-F274 WeakPolarHBondContact O-CA 3.46Å; A135-F274 HydrophobicContact CB-CD1 3.82Å; A135-F274 HydrophobicContact CB-CE1 3.82Å; F251-F274 CarbonylContact C-O 3.52Å; F251-F274 WeakPolarHBondContact CA-O 3.38Å; F251-F274 WeakPolarHBondContact CB-O 3.37Å; V252-F274 HydrophobicContact CB-CB 4.34Å; V252-F274 PolarHBondContact N-O 3.07Å; V252-F274 PolarHBondContact O-N 3.16Å; F274-A278 HydrophobicContact CB-CB 4.15Å; F274-A278 HydrophobicContact CD1-CB 4.29Å; F274-F282 HydrophobicContact CB-CE2 4.47Å; F274-F282 AromaticContact CD2-CE2 3.79Å; F274-F282 HydrophobicContact CD2-CE2 3.79Å; F274-F282 AromaticContact CD2-CZ 3.78Å; F274-F282 HydrophobicContact CD2-CZ 3.78Å; F274-F282 HydrophobicContact CE2-CE2 4.18Å; F274-F282 AromaticContact CE2-CZ 3.8Å; F274-F282 HydrophobicContact CE2-CZ 3.8Å; F274-F282 HydrophobicContact CG-CE2 4.07Å; F274-F282 HydrophobicContact CG-CZ 4.49Å |
| 275 | T | 97.8 | Very high | 95.6 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 165.9 | 175.3 | 69.8 | 0 | 0 | 0 | 0 | 110.4 | K132 S133 S134 F251 | K132-T275 PolarHBondContact O-OG1 2.98Å; S133-T275 VanDerWaalsContact CA-O 3.29Å; S133-T275 WeakPolarHBondContact CA-O 3.45Å; S134-T275 PolarHBondContact N-O 3.1Å; S134-T275 PolarHBondContact N-OG1 3.14Å; S134-T275 PolarHBondContact O-N 3.31Å; S134-T275 PolarHBondContact OG-OG1 3.37Å; F251-T275 HydrophobicContact CB-CG2 3.86Å |
| 276 | G | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | 66.3 | -151.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y128 D131 A278 V279 | Y128-G276 WeakPolarHBondContact CB-O 3.26Å; Y128-G276 CarbonylContact O-C 3.59Å; Y128-G276 WeakPolarHBondContact O-CA 3.41Å; D131-G276 VanDerWaalsContact O-CA 3.22Å; D131-G276 WeakPolarHBondContact O-CA 3.4Å; G276-A278 PolarHBondContact O-N 2.87Å; G276-V279 WeakPolarHBondContact O-CB 3.45Å; G276-V279 VanDerWaalsContact O-CG2 3.25Å; G276-V279 WeakPolarHBondContact O-CG2 3.24Å; G276-V279 PolarHBondContact O-N 2.75Å |
| 277 | Q | 95.5 | Very high | 95.9 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 54% | 0.542 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -57.3 | -19.9 | -176.6 | -68.1 | 178.4 | -9.1 | 0 | 0 | 114.9 | Y128 V279 E280 | Y128-Q277 PolarHBondContact O-N 2.78Å; Q277-V279 PolarHBondContact O-N 2.86Å; Q277-V279 VanDerWaalsContact O-N 3.09Å; Q277-E280 VanDerWaalsContact O-CB 3.31Å; Q277-E280 WeakPolarHBondContact O-CB 3.39Å; Q277-E280 PolarHBondContact O-N 3.31Å |
| 278 | A | 96.1 | Very high | 95.9 | Very high | 26 Ų | 26 | 49 Ų | 49 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -63.3 | -12.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S133 F274 G276 F282 | S133-A278 WeakPolarHBondContact OG-CB 3.32Å; F274-A278 HydrophobicContact CB-CB 4.15Å; F274-A278 HydrophobicContact CD1-CB 4.29Å; G276-A278 PolarHBondContact O-N 2.87Å; A278-F282 WeakPolarHBondContact O-CD2 3.19Å |
| 279 | V | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -77.3 | -23.8 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | Y128 I246 V252 G276 Q277 F282 D283 | Y128-V279 HydrophobicContact CD1-CB 3.98Å; Y128-V279 HydrophobicContact CD1-CG1 3.56Å; Y128-V279 HydrophobicContact CD2-CB 4.07Å; Y128-V279 HydrophobicContact CD2-CG1 4.48Å; Y128-V279 HydrophobicContact CE1-CG1 4.02Å; Y128-V279 HydrophobicContact CG-CB 3.7Å; Y128-V279 HydrophobicContact CG-CG1 3.84Å; Y128-V279 HydrophobicContact CG-CG2 4.42Å; I246-V279 HydrophobicContact CG2-CG1 4.2Å; V252-V279 HydrophobicContact CG2-CB 4.21Å; V252-V279 HydrophobicContact CG2-CG1 3.78Å; V252-V279 HydrophobicContact CG2-CG2 4.07Å; G276-V279 WeakPolarHBondContact O-CB 3.45Å; G276-V279 VanDerWaalsContact O-CG2 3.25Å; G276-V279 WeakPolarHBondContact O-CG2 3.24Å; G276-V279 PolarHBondContact O-N 2.75Å; Q277-V279 PolarHBondContact O-N 2.86Å; Q277-V279 VanDerWaalsContact O-N 3.09Å; V279-F282 WeakPolarHBondContact O-CB 3.37Å; V279-F282 PolarHBondContact O-N 2.9Å; V279-F282 VanDerWaalsContact O-N 3.15Å; V279-D283 PolarHBondContact O-N 3.13Å; V279-D283 VanDerWaalsContact O-N 3.13Å |
| 280 | E | 95.4 | Very high | 95.9 | Very high | 75 Ų | 75 | 40.9 Ų | 40.9 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.6 | -47 | -174.5 | -175.7 | 171.2 | -148.9 | 0 | 0 | 113.7 | Y128 Q277 F282 D283 E284 | Y128-E280 HydrophobicContact CE2-CB 3.76Å; Y128-E280 HydrophobicContact CE2-CG 4.36Å; Q277-E280 VanDerWaalsContact O-CB 3.31Å; Q277-E280 WeakPolarHBondContact O-CB 3.39Å; Q277-E280 PolarHBondContact O-N 3.31Å; E280-F282 PolarHBondContact O-N 3.39Å; E280-D283 PolarHBondContact O-N 2.95Å; E280-D283 VanDerWaalsContact O-N 3.13Å; E280-E284 PolarHBondContact O-N 2.88Å |
| 281 | P | 97 | Very high | 95.7 | Very high | 76 Ų | 76 | 39 Ų | 39 | 49% | 0.494 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.3 | -30.2 | 178 | -22.4 | 35.2 | 0 | 0 | 0 | 113.2 | E285 | P281-E285 WeakPolarHBondContact O-CB 3.43Å; P281-E285 PolarHBondContact O-N 3.23Å |
| 282 | F | 97.8 | Very high | 95.4 | Very high | 41 Ų | 41 | 42 Ų | 42 | 18% | 0.18 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.2 | -34.3 | 176.5 | -68.9 | -87.3 | 0 | 0 | 0 | 112.3 | F244 I246 V252 F274 A278 V279 E280 F286 | F244-F282 HydrophobicContact CB-CD1 4.16Å; F244-F282 HydrophobicContact CB-CE1 4.26Å; F244-F282 AromaticContact CD1-CD1 3.84Å; F244-F282 HydrophobicContact CD1-CD1 3.84Å; F244-F282 HydrophobicContact CD1-CE1 4.28Å; F244-F282 HydrophobicContact CD2-CD1 4.21Å; F244-F282 HydrophobicContact CE1-CD1 4.23Å; F244-F282 AromaticContact CG-CD1 3.82Å; F244-F282 HydrophobicContact CG-CD1 3.82Å; F244-F282 HydrophobicContact CG-CE1 4.33Å; I246-F282 HydrophobicContact CD1-CB 4.09Å; V252-F282 HydrophobicContact CB-CD2 4.32Å; V252-F282 HydrophobicContact CB-CG 4.38Å; V252-F282 HydrophobicContact CG1-CB 4.45Å; V252-F282 HydrophobicContact CG1-CD1 3.79Å; V252-F282 HydrophobicContact CG1-CD2 4.19Å; V252-F282 HydrophobicContact CG1-CE1 3.98Å; V252-F282 HydrophobicContact CG1-CE2 4.37Å; V252-F282 HydrophobicContact CG1-CG 3.9Å; V252-F282 HydrophobicContact CG1-CZ 4.27Å; V252-F282 HydrophobicContact CG2-CB 3.93Å; V252-F282 HydrophobicContact CG2-CD2 4.03Å; V252-F282 HydrophobicContact CG2-CG 3.98Å; F274-F282 HydrophobicContact CB-CE2 4.47Å; F274-F282 AromaticContact CD2-CE2 3.79Å; F274-F282 HydrophobicContact CD2-CE2 3.79Å; F274-F282 AromaticContact CD2-CZ 3.78Å; F274-F282 HydrophobicContact CD2-CZ 3.78Å; F274-F282 HydrophobicContact CE2-CE2 4.18Å; F274-F282 AromaticContact CE2-CZ 3.8Å; F274-F282 HydrophobicContact CE2-CZ 3.8Å; F274-F282 HydrophobicContact CG-CE2 4.07Å; F274-F282 HydrophobicContact CG-CZ 4.49Å; A278-F282 WeakPolarHBondContact O-CD2 3.19Å; V279-F282 WeakPolarHBondContact O-CB 3.37Å; V279-F282 PolarHBondContact O-N 2.9Å; V279-F282 VanDerWaalsContact O-N 3.15Å; E280-F282 PolarHBondContact O-N 3.39Å; F282-F286 VanDerWaalsContact O-CB 3.3Å; F282-F286 WeakPolarHBondContact O-CB 3.5Å; F282-F286 PolarHBondContact O-N 2.72Å |
| 283 | D | 95.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 171.8 | 165.7 | 44.5 | 0 | 0 | 0 | 111.1 | K126 Y128 W249 V279 E280 F286 R287 | K126-D283 IonicContact NZ-OD2 2.73Å; K126-D283 PolarHBondContact NZ-OD2 3.41Å; Y128-D283 PolarHBondContact OH-OD2 2.83Å; W249-D283 HydrophobicContact CE3-CB 4.36Å; W249-D283 HydrophobicContact CZ3-CB 3.83Å; W249-D283 WeakPolarHBondContact CZ3-OD1 3.36Å; V279-D283 PolarHBondContact O-N 3.13Å; V279-D283 VanDerWaalsContact O-N 3.13Å; E280-D283 PolarHBondContact O-N 2.95Å; E280-D283 VanDerWaalsContact O-N 3.13Å; D283-F286 PolarHBondContact O-N 3.48Å; D283-R287 WeakPolarHBondContact O-CG 3.31Å; D283-R287 PolarHBondContact O-N 2.98Å; D283-R287 IonicContact OD1-CZ 3.98Å; D283-R287 IonicContact OD1-NE 3.7Å; D283-R287 PolarHBondContact OD1-NE 3.24Å; D283-R287 IonicContact OD1-NH2 3.77Å; D283-R287 IonicContact OD2-CZ 2.77Å; D283-R287 IonicContact OD2-NE 3.88Å; D283-R287 PolarHBondContact OD2-NE 3.04Å; D283-R287 IonicContact OD2-NH2 3.13Å; D283-R287 PolarHBondContact OD2-NH2 3Å |
| 284 | E | 94.3 | Very high | 95 | Very high | 101 Ų | 101 | 45.4 Ų | 45.4 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 174.3 | -71.5 | -179.2 | 167.4 | 0 | 0 | 112.1 | E280 F286 R287 H288 | E280-E284 PolarHBondContact O-N 2.88Å; E284-F286 PolarHBondContact O-N 3.09Å; E284-R287 VanDerWaalsContact CG-NH2 3.3Å; E284-R287 PolarHBondContact O-N 3.38Å; E284-H288 WeakPolarHBondContact O-CB 3.43Å; E284-H288 PolarHBondContact O-N 3.45Å |
| 285 | E | 95.9 | Very high | 94.8 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 177.7 | -173.4 | 56.3 | -144.4 | 0 | 0 | 111.7 | F244 P281 R287 H288 L289 | F244-E285 HydrophobicContact CE1-CG 4.4Å; P281-E285 WeakPolarHBondContact O-CB 3.43Å; P281-E285 PolarHBondContact O-N 3.23Å; E285-R287 VanDerWaalsContact C-N 3.34Å; E285-R287 PolarHBondContact O-N 3.28Å; E285-H288 WeakPolarHBondContact O-CB 3.13Å; E285-H288 PolarHBondContact O-N 3.08Å; E285-L289 HydrophobicContact CG-CD1 4.18Å; E285-L289 WeakPolarHBondContact O-CG 3.25Å; E285-L289 PolarHBondContact O-N 2.93Å; E285-L289 WeakPolarHBondContact OE1-CG 3.35Å |
| 286 | F | 95.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 174.4 | 166.3 | -109.7 | 0 | 0 | 0 | 112.1 | W121 V163 C190 L192 F244 I246 W249 F282 D283 E284 H288 L289 Y290 | W121-F286 AromaticContact CE3-CE1 3.98Å; W121-F286 HydrophobicContact CE3-CE1 3.98Å; W121-F286 HydrophobicContact CE3-CZ 4.12Å; W121-F286 HydrophobicContact CH2-CZ 4.45Å; W121-F286 HydrophobicContact CZ3-CE1 4Å; W121-F286 AromaticContact CZ3-CZ 3.66Å; W121-F286 HydrophobicContact CZ3-CZ 3.66Å; V163-F286 HydrophobicContact CB-CE2 4.43Å; V163-F286 HydrophobicContact CG1-CB 4.27Å; V163-F286 HydrophobicContact CG1-CD1 3.98Å; V163-F286 HydrophobicContact CG1-CD2 3.17Å; V163-F286 HydrophobicContact CG1-CE1 4.09Å; V163-F286 HydrophobicContact CG1-CE2 3.31Å; V163-F286 HydrophobicContact CG1-CG 3.52Å; V163-F286 HydrophobicContact CG1-CZ 3.77Å; V163-F286 HydrophobicContact CG2-CD1 4.38Å; V163-F286 HydrophobicContact CG2-CE1 3.97Å; V163-F286 HydrophobicContact CG2-CE2 4.35Å; V163-F286 HydrophobicContact CG2-CZ 3.94Å; C190-F286 HydrophobicContact CB-CZ 4.27Å; L192-F286 HydrophobicContact CD1-CD2 3.55Å; L192-F286 HydrophobicContact CD1-CE2 3.68Å; L192-F286 HydrophobicContact CD2-CE2 4.45Å; L192-F286 HydrophobicContact CG-CD2 4.15Å; L192-F286 HydrophobicContact CG-CE2 3.86Å; F244-F286 HydrophobicContact CE2-CB 4.27Å; F244-F286 HydrophobicContact CZ-CB 4.21Å; I246-F286 HydrophobicContact CD1-CB 4.39Å; W249-F286 HydrophobicContact CH2-CD1 4.16Å; W249-F286 HydrophobicContact CH2-CE1 4.32Å; F282-F286 VanDerWaalsContact O-CB 3.3Å; F282-F286 WeakPolarHBondContact O-CB 3.5Å; F282-F286 PolarHBondContact O-N 2.72Å; D283-F286 PolarHBondContact O-N 3.48Å; E284-F286 PolarHBondContact O-N 3.09Å; F286-H288 VanDerWaalsContact C-N 3.32Å; F286-H288 PolarHBondContact O-N 3.2Å; F286-L289 PolarHBondContact O-N 3.38Å; F286-Y290 HydrophobicContact CE2-CD2 4.11Å; F286-Y290 AromaticContact CZ-CD2 3.85Å; F286-Y290 HydrophobicContact CZ-CD2 3.85Å; F286-Y290 HydrophobicContact CZ-CG 4.42Å; F286-Y290 WeakPolarHBondContact O-CB 3.27Å; F286-Y290 PolarHBondContact O-N 3.07Å |
| 287 | R | 93.1 | Very high | 94.4 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 29% | 0.291 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63 | -41 | 178.7 | -78.5 | -175.4 | -82.2 | 121.1 | -5.3 | 111.5 | L117 D283 E284 E285 Y290 A291 | L117-R287 HydrophobicContact CD1-CB 3.97Å; L117-R287 HydrophobicContact CD1-CG 3.94Å; L117-R287 HydrophobicContact CD2-CG 4.31Å; D283-R287 WeakPolarHBondContact O-CG 3.31Å; D283-R287 PolarHBondContact O-N 2.98Å; D283-R287 IonicContact OD1-CZ 3.98Å; D283-R287 IonicContact OD1-NE 3.7Å; D283-R287 PolarHBondContact OD1-NE 3.24Å; D283-R287 IonicContact OD1-NH2 3.77Å; D283-R287 IonicContact OD2-CZ 2.77Å; D283-R287 IonicContact OD2-NE 3.88Å; D283-R287 PolarHBondContact OD2-NE 3.04Å; D283-R287 IonicContact OD2-NH2 3.13Å; D283-R287 PolarHBondContact OD2-NH2 3Å; E284-R287 VanDerWaalsContact CG-NH2 3.3Å; E284-R287 PolarHBondContact O-N 3.38Å; E285-R287 VanDerWaalsContact C-N 3.34Å; E285-R287 PolarHBondContact O-N 3.28Å; R287-Y290 PolarHBondContact O-N 3.13Å; R287-A291 PolarHBondContact O-N 3.16Å |
| 288 | H | 91.4 | Very high | 94 | Very high | 98 Ų | 98 | 45 Ų | 45 | 45% | 0.454 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -52.4 | 175.9 | -177.7 | 66 | 0 | 0 | 0 | 111.8 | E284 E285 F286 Y290 A291 | E284-H288 WeakPolarHBondContact O-CB 3.43Å; E284-H288 PolarHBondContact O-N 3.45Å; E285-H288 WeakPolarHBondContact O-CB 3.13Å; E285-H288 PolarHBondContact O-N 3.08Å; F286-H288 VanDerWaalsContact C-N 3.32Å; F286-H288 PolarHBondContact O-N 3.2Å; H288-Y290 VanDerWaalsContact C-N 3.34Å; H288-Y290 PolarHBondContact O-N 3.22Å; H288-A291 WeakPolarHBondContact O-CB 3.36Å; H288-A291 PolarHBondContact O-N 3.18Å |
| 289 | L | 94.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -34.2 | 178.5 | -67.5 | 172.9 | 0 | 0 | 0 | 112.7 | L165 L192 V223 I240 E285 F286 A291 S292 S293 | L165-L289 HydrophobicContact CD1-CD1 3.82Å; L165-L289 HydrophobicContact CD2-CD1 3.49Å; L165-L289 VanDerWaalsContact CD2-CD1 3.49Å; L165-L289 HydrophobicContact CG-CD1 4.32Å; L192-L289 HydrophobicContact CD1-CB 3.73Å; V223-L289 HydrophobicContact CG1-CB 4.34Å; V223-L289 WeakPolarHBondContact CG1-O 3.31Å; I240-L289 HydrophobicContact CD1-CD2 4.2Å; E285-L289 HydrophobicContact CG-CD1 4.18Å; E285-L289 WeakPolarHBondContact O-CG 3.25Å; E285-L289 PolarHBondContact O-N 2.93Å; E285-L289 WeakPolarHBondContact OE1-CG 3.35Å; F286-L289 PolarHBondContact O-N 3.38Å; L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 3.39Å; L289-S292 PolarHBondContact O-N 3.04Å; L289-S292 PolarHBondContact O-OG 3.3Å; L289-S293 WeakPolarHBondContact O-CB 3.31Å; L289-S293 PolarHBondContact O-N 3.36Å; L289-S293 VanDerWaalsContact O-N 3.14Å |
| 290 | Y | 93.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 175.2 | -172.7 | -83.6 | 0 | 0 | 0 | 111.1 | L117 W121 L192 F286 R287 H288 S292 S293 | L117-Y290 HydrophobicContact CD2-CD1 3.23Å; L117-Y290 HydrophobicContact CD2-CE1 3.79Å; L117-Y290 HydrophobicContact CD2-CG 3.74Å; L117-Y290 HydrophobicContact CG-CD1 3.89Å; L117-Y290 HydrophobicContact CG-CE1 4.36Å; W121-Y290 HydrophobicContact CH2-CE2 4.14Å; W121-Y290 HydrophobicContact CZ3-CD2 4.07Å; W121-Y290 AromaticContact CZ3-CE2 3.65Å; W121-Y290 HydrophobicContact CZ3-CE2 3.65Å; L192-Y290 HydrophobicContact CD2-CD2 4.03Å; F286-Y290 HydrophobicContact CE2-CD2 4.11Å; F286-Y290 AromaticContact CZ-CD2 3.85Å; F286-Y290 HydrophobicContact CZ-CD2 3.85Å; F286-Y290 HydrophobicContact CZ-CG 4.42Å; F286-Y290 WeakPolarHBondContact O-CB 3.27Å; F286-Y290 PolarHBondContact O-N 3.07Å; R287-Y290 PolarHBondContact O-N 3.13Å; H288-Y290 VanDerWaalsContact C-N 3.34Å; H288-Y290 PolarHBondContact O-N 3.22Å; Y290-S292 VanDerWaalsContact C-N 3.26Å; Y290-S292 PolarHBondContact O-N 3.5Å; Y290-S293 WeakPolarHBondContact O-CB 3.2Å; Y290-S293 PolarHBondContact O-N 3.02Å; Y290-S293 VanDerWaalsContact O-N 3.11Å; Y290-S293 PolarHBondContact O-OG 3.05Å |
| 291 | A | 91.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.5 | -24.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E114 P115 R287 H288 L289 | E114-A291 HydrophobicContact CG-CB 3.97Å; P115-A291 WeakPolarHBondContact CD-O 3.4Å; P115-A291 WeakPolarHBondContact CG-O 3.45Å; R287-A291 PolarHBondContact O-N 3.16Å; H288-A291 WeakPolarHBondContact O-CB 3.36Å; H288-A291 PolarHBondContact O-N 3.18Å; L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 3.39Å |
| 292 | S | 90.4 | Very high | 88.3 | Confident | 69 Ų | 69 | 50 Ų | 50 | 48% | 0.483 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -97.6 | -4.9 | 173.1 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | L289 Y290 | L289-S292 PolarHBondContact O-N 3.04Å; L289-S292 PolarHBondContact O-OG 3.3Å; Y290-S292 VanDerWaalsContact C-N 3.26Å; Y290-S292 PolarHBondContact O-N 3.5Å |
| 293 | S | 94.5 | Very high | 85.9 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 144.1 | -172 | 71.6 | 0 | 0 | 0 | 0 | 114.4 | R221 S222 V223 L289 Y290 | R221-S293 PolarHBondContact NE-OG 3.18Å; R221-S293 PolarHBondContact NH2-O 3.07Å; S222-S293 CarbonylContact O-C 3.55Å; S222-S293 VanDerWaalsContact O-CA 3.28Å; S222-S293 WeakPolarHBondContact O-CA 3.47Å; V223-S293 VanDerWaalsContact CG1-CB 3.48Å; L289-S293 WeakPolarHBondContact O-CB 3.31Å; L289-S293 PolarHBondContact O-N 3.36Å; L289-S293 VanDerWaalsContact O-N 3.14Å; Y290-S293 WeakPolarHBondContact O-CB 3.2Å; Y290-S293 PolarHBondContact O-N 3.02Å; Y290-S293 VanDerWaalsContact O-N 3.11Å; Y290-S293 PolarHBondContact O-OG 3.05Å |
| 294 | K | 94.2 | Very high | 83.5 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 46% | 0.457 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.4 | 177.9 | -57 | 163.7 | -166.9 | 157 | 0 | 109.9 | R221 S222 E224 | R221-K294 CarbonylContact C-O 3.58Å; R221-K294 WeakPolarHBondContact CA-O 3.24Å; R221-K294 WeakPolarHBondContact CB-O 3.24Å; S222-K294 PolarHBondContact N-O 2.73Å; S222-K294 PolarHBondContact O-N 3.24Å; S222-K294 PolarHBondContact OG-O 2.86Å; E224-K294 IonicContact OE1-NZ 3.82Å; E224-K294 PolarHBondContact OE1-NZ 3.03Å; E224-K294 IonicContact OE2-NZ 2.76Å; E224-K294 PolarHBondContact OE2-NZ 3.5Å |
| 295 | P | 93.8 | Very high | 80.8 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 137.4 | 179.5 | 28.2 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 296 | V | 93.6 | Very high | 77.8 | Confident | 51 Ų | 51 | 64 Ų | 64 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -61.8 | 177.1 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | V198 I220 | V198-V296 HydrophobicContact CG1-CG1 3.77Å; V198-V296 HydrophobicContact CG1-CG2 4.18Å; V198-V296 HydrophobicContact CG2-CG2 4.29Å; I220-V296 HydrophobicContact CG2-CB 4.31Å; I220-V296 PolarHBondContact O-N 2.88Å |
| 297 | M | 91.3 | Very high | 75 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 163.2 | -179.3 | 62.6 | 162.8 | 9.2 | 0 | 0 | 112.5 | F201 C205 L215 I220 | F201-M297 HydrophobicContact CD1-SD 4.41Å; F201-M297 HydrophobicContact CE1-CG 4.26Å; F201-M297 HydrophobicContact CE1-SD 3.45Å; F201-M297 WeakPolarHBondContact CE1-SD 3.03Å; F201-M297 HydrophobicContact CZ-SD 4.08Å; C205-M297 HydrophobicContact CB-CE 4.29Å; L215-M297 HydrophobicContact CD1-CB 4.08Å; L215-M297 HydrophobicContact CD1-CE 3.64Å; L215-M297 HydrophobicContact CD1-CG 3.91Å; L215-M297 HydrophobicContact CD1-SD 3.53Å; L215-M297 VanDerWaalsContact CD1-SD 3.53Å; I220-M297 HydrophobicContact CB-CG 3.74Å; I220-M297 HydrophobicContact CD1-CG 3.68Å; I220-M297 HydrophobicContact CD1-SD 3.87Å; I220-M297 HydrophobicContact CG1-CG 4.14Å; I220-M297 HydrophobicContact CG2-CG 4.34Å; I220-M297 PolarHBondContact N-O 2.93Å; I220-M297 PolarHBondContact O-N 3.49Å |
| 298 | G | 88 | Confident | 72.1 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.3 | -144.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I218 K300 | I218-G298 WeakPolarHBondContact O-CA 3.32Å; G298-K300 PolarHBondContact O-N 3.19Å |
| 299 | L | 80.8 | Confident | 69.4 | Low | 41 Ų | 41 | 73 Ų | 73 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | trans | -68.4 | 103.3 | -168.8 | -171.7 | 58.2 | 0 | 0 | 0 | 111.9 | K216 I218 S219 S301 P302 | K216-L299 VanDerWaalsContact O-CD2 3.27Å; K216-L299 WeakPolarHBondContact O-CD2 3.38Å; I218-L299 WeakPolarHBondContact O-CB 3.44Å; I218-L299 PolarHBondContact O-N 2.93Å; S219-L299 WeakPolarHBondContact CB-O 3.2Å; S219-L299 PolarHBondContact OG-O 2.76Å; L299-S301 WeakPolarHBondContact CD1-O 3.29Å; L299-S301 WeakPolarHBondContact CG-O 3.42Å; L299-S301 PolarHBondContact O-N 2.87Å; L299-P302 HydrophobicContact CD2-CB 3.63Å; L299-P302 HydrophobicContact CD2-CG 4.19Å; L299-P302 HydrophobicContact CG-CB 4.24Å; L299-P302 HydrophobicContact CG-CG 4.36Å | ||
| 300 | K | 71.6 | Confident | 66.6 | Low | 181 Ų | 181 | 79.2 Ų | 79.2 | 79% | 0.787 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -63.1 | -26.7 | -179.7 | -61.5 | -176.4 | -178 | -180 | 0 | 113.3 | G298 | G298-K300 PolarHBondContact O-N 3.19Š|
| 301 | S | 60.1 | Low | 63.7 | Low | 57 Ų | 57 | 82.3 Ų | 82.3 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -144.3 | 103.7 | 174.3 | 62.1 | 0 | 0 | 0 | 0 | 110 | L299 R303 | L299-S301 WeakPolarHBondContact CD1-O 3.29Å; L299-S301 WeakPolarHBondContact CG-O 3.42Å; L299-S301 PolarHBondContact O-N 2.87Å; S301-R303 VanDerWaalsContact C-N 3.32Å; S301-R303 PolarHBondContact O-N 2.88Å |
| 302 | P | 53.7 | Low | 61.1 | Low | 2 Ų | 2 | 86.4 Ų | 86.4 | 1% | 0.013 | 52% | 0.523 | C | S | . | . | trans | -65.6 | 82.4 | 177.2 | -9.3 | 13.8 | 0 | 0 | 0 | 114.6 | L118 W121 L299 L304 | L118-P302 HydrophobicContact CD1-CB 3.28Å; L118-P302 VanDerWaalsContact CD1-CD 3.46Å; L118-P302 HydrophobicContact CD1-CG 3.36Å; L118-P302 WeakPolarHBondContact CD1-O 3.4Å; L118-P302 VanDerWaalsContact CD2-O 3.29Å; L118-P302 WeakPolarHBondContact CD2-O 3.37Å; L118-P302 HydrophobicContact CG-CG 4.48Å; W121-P302 HydrophobicContact CH2-CB 4.45Å; W121-P302 HydrophobicContact CH2-CG 3.88Å; W121-P302 HydrophobicContact CZ2-CB 3.86Å; W121-P302 HydrophobicContact CZ2-CG 3.79Å; L299-P302 HydrophobicContact CD2-CB 3.63Å; L299-P302 HydrophobicContact CD2-CG 4.19Å; L299-P302 HydrophobicContact CG-CB 4.24Å; L299-P302 HydrophobicContact CG-CG 4.36Å; P302-L304 PolarHBondContact O-N 2.87Å | ||
| 303 | R | 46.2 | Very low | 58.4 | Low | 200 Ų | 200 | 87.3 Ų | 87.3 | 76% | 0.755 | 54% | 0.535 | S | S | * | . | trans | -81 | 109.7 | 168.4 | -67.3 | -174 | 179.5 | -179.5 | -0.1 | 108.4 | S301 V305 | S301-R303 VanDerWaalsContact C-N 3.32Å; S301-R303 PolarHBondContact O-N 2.88Å; R303-V305 PolarHBondContact O-N 2.77Å; R303-V305 VanDerWaalsContact O-N 3.13Å | ||
| 304 | L | 45.6 | Very low | 55.5 | Low | 87 Ų | 87 | 93.2 Ų | 93.2 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | trans | -63.1 | 109.6 | 161.8 | -106 | 152.7 | 0 | 0 | 0 | 107.5 | F188 P302 A306 | F188-L304 HydrophobicContact CD1-CG 4.22Å; F188-L304 HydrophobicContact CD2-CD1 4.08Å; F188-L304 HydrophobicContact CD2-CD2 3.4Å; F188-L304 VanDerWaalsContact CD2-CD2 3.4Å; F188-L304 HydrophobicContact CD2-CG 3.48Å; F188-L304 VanDerWaalsContact CD2-CG 3.48Å; F188-L304 HydrophobicContact CE1-CG 4.07Å; F188-L304 HydrophobicContact CE2-CB 4.41Å; F188-L304 HydrophobicContact CE2-CD1 4.4Å; F188-L304 HydrophobicContact CE2-CD2 2.99Å; F188-L304 HydrophobicContact CE2-CG 3.36Å; F188-L304 HydrophobicContact CG-CD1 4.4Å; F188-L304 HydrophobicContact CG-CD2 4.34Å; F188-L304 HydrophobicContact CG-CG 3.94Å; F188-L304 HydrophobicContact CZ-CB 4.28Å; F188-L304 HydrophobicContact CZ-CD2 3.62Å; F188-L304 HydrophobicContact CZ-CG 3.65Å; P302-L304 PolarHBondContact O-N 2.87Å; L304-A306 PolarHBondContact O-N 2.72Å | ||
| 305 | V | 37.6 | Very low | 52.8 | Low | 122 Ų | 122 | 92.5 Ų | 92.5 | 74% | 0.739 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 120.6 | 166.5 | 179.8 | 0 | 0 | 0 | 0 | 106.3 | R303 | R303-V305 PolarHBondContact O-N 2.77Å; R303-V305 VanDerWaalsContact O-N 3.13Å |
| 306 | A | 32.1 | Very low | 49.9 | Very low | 75 Ų | 75 | 96.8 Ų | 96.8 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 141.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L304 V308 | L304-A306 PolarHBondContact O-N 2.72Å; A306-V308 PolarHBondContact O-N 2.64Å; A306-V308 VanDerWaalsContact O-N 3.15Å |
| 307 | P | 36.8 | Very low | 46.9 | Very low | 125 Ų | 125 | 98 Ų | 98 | 81% | 0.812 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 125.4 | 176.1 | 22.3 | -30.1 | 0 | 0 | 0 | 108.9 | ||
| 308 | V | 32.1 | Very low | 44.1 | Very low | 123 Ų | 123 | 108.6 Ų | 108.6 | 75% | 0.745 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 124 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 107.6 | A306 T310 | A306-V308 PolarHBondContact O-N 2.64Å; A306-V308 VanDerWaalsContact O-N 3.15Å; V308-T310 PolarHBondContact O-N 3.38Å |
| 309 | P | 35 | Very low | 41.5 | Very low | 118 Ų | 118 | 115.9 Ų | 115.9 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -63.8 | 113.5 | 170.1 | -1.2 | 11.2 | 0 | 0 | 0 | 107.1 | G311 | P309-G311 PolarHBondContact O-N 3.32Å; P309-G311 VanDerWaalsContact O-N 3.16Å | ||
| 310 | T | 36.1 | Very low | 39 | Very low | 141 Ų | 141 | 119.4 Ų | 119.4 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55 | 121.9 | 165.8 | 19.6 | 0 | 0 | 0 | 0 | 107.7 | V308 | V308-T310 PolarHBondContact O-N 3.38Š|
| 311 | G | 33 | Very low | 37 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 140.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P309 A313 | P309-G311 PolarHBondContact O-N 3.32Å; P309-G311 VanDerWaalsContact O-N 3.16Å; G311-A313 PolarHBondContact O-N 3.17Å |
| 312 | A | 36 | Very low | 35.6 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 93% | 0.926 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 124.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 313 | A | 35.1 | Very low | 34.6 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -109.6 | 146.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | G311 | G311-A313 PolarHBondContact O-N 3.17Š| ||
| 314 | P | 33.9 | Very low | 33.7 | Very low | 128 Ų | 128 | 119 Ų | 119 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -76.8 | 152.3 | -157.3 | 30.4 | -34.2 | 0 | 0 | 0 | 113.3 | ||||
| 315 | A | 37.1 | Very low | 32.9 | Very low | 91 Ų | 91 | 120.7 Ų | 120.7 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -60.9 | 133.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 316 | N | 32.2 | Very low | 32.7 | Very low | 174 Ų | 174 | 119 Ų | 119 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -167.1 | 139.1 | 143.3 | -96.8 | -21.2 | 0 | 0 | 0 | 111.4 | ||||
| 317 | G | 30.1 | Very low | 32.8 | Very low | 77 Ų | 77 | 120.5 Ų | 120.5 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 109.7 | 80.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 318 | R | 32.8 | Very low | 32.6 | Very low | 248 Ų | 248 | 121.4 Ų | 121.4 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -47.9 | 144.2 | 156 | -84.2 | 175.4 | 164.2 | -165.5 | -4.1 | 111.3 | ||||
| 319 | L | 33.3 | Very low | 32.8 | Very low | 172 Ų | 172 | 128 Ų | 128 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | -164.6 | 136.5 | 119.9 | -91.8 | 177.2 | 0 | 0 | 0 | 110.5 | |||||
| 320 | S | 28.8 | Very low | 32.6 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -51.5 | 160.8 | 172.3 | -46.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 321 | S | 29.6 | Very low | 32.8 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | cis | -171.3 | 154.7 | 32.7 | 45.4 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 322 | S | 30.1 | Very low | 33.2 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | 173 | 156.4 | 65.2 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 323 | S | 32.5 | Very low | 33.9 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -30.3 | 145.7 | 175.2 | -53.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 324 | G | 28.2 | Very low | 34.6 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | -175.5 | 101.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 325 | S | 29.2 | Very low | 35.6 | Very low | 122 Ų | 122 | 117.1 Ų | 117.1 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | -23.2 | 148.4 | 172.8 | -155.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 326 | A | 33.2 | Very low | 36.2 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -52.5 | 144.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 327 | S | 32.9 | Very low | 36.5 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | trans | -177.7 | 132.2 | 131.7 | 33.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 328 | D | 33.6 | Very low | 36.8 | Very low | 144 Ų | 144 | 116.1 Ų | 116.1 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | trans | 59.5 | 93.3 | 143.2 | -55.2 | -20.1 | 0 | 0 | 0 | 120.8 | T330 | D328-T330 VanDerWaalsContact C-N 3.29Å; D328-T330 PolarHBondContact O-N 3.15Å | ||
| 329 | R | 35.5 | Very low | 36.6 | Very low | 260 Ų | 260 | 110.6 Ų | 110.6 | 98% | 0.981 | 71% | 0.707 | S | S | * | * | trans | -70.7 | 85.2 | 152.4 | -72.3 | -176.9 | 173.5 | 169.6 | -1.4 | 109.6 | S331 | R329-S331 PolarHBondContact O-N 3.4Š| ||
| 330 | T | 32.5 | Very low | 36.6 | Very low | 124 Ų | 124 | 107.2 Ų | 107.2 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | trans | -67.1 | 118.7 | 167.1 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | D328 S332 | D328-T330 VanDerWaalsContact C-N 3.29Å; D328-T330 PolarHBondContact O-N 3.15Å; T330-S332 PolarHBondContact O-N 3.07Å | ||
| 331 | S | 39.5 | Very low | 36.5 | Very low | 88 Ų | 88 | 105.6 Ų | 105.6 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | trans | -59.1 | 106.6 | 172.4 | 66.4 | 0 | 0 | 0 | 0 | 109.1 | R329 N333 | R329-S331 PolarHBondContact O-N 3.4Å; S331-N333 PolarHBondContact O-N 3.03Å; S331-N333 VanDerWaalsContact O-N 3.15Å | ||
| 332 | S | 42.1 | Very low | 36.5 | Very low | 93 Ų | 93 | 105.2 Ų | 105.2 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | trans | -62.7 | 120 | 172.4 | 52.2 | 0 | 0 | 0 | 0 | 108.5 | R250 T330 P334 | R250-S332 PolarHBondContact NH2-O 3.24Å; R250-S332 VanDerWaalsContact NH2-O 3.12Å; T330-S332 PolarHBondContact O-N 3.07Å; S332-P334 WeakPolarHBondContact O-CD 3.22Å | ||
| 333 | N | 49.3 | Very low | 36.9 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 43% | 0.428 | 71% | 0.705 | S | S | . | * | trans | -77.3 | 118.4 | 175.5 | -162.3 | 1.5 | 0 | 0 | 0 | 107.1 | K273 S331 F335 S336 | K273-N333 PolarHBondContact NZ-OD1 2.8Å; S331-N333 PolarHBondContact O-N 3.03Å; S331-N333 VanDerWaalsContact O-N 3.15Å; N333-F335 PolarHBondContact O-N 3.09Å; N333-S336 PolarHBondContact O-N 3.37Å | ||
| 334 | P | 49.7 | Very low | 37.2 | Very low | 20 Ų | 20 | 108.3 Ų | 108.3 | 13% | 0.13 | 70% | 0.701 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | 1.8 | -173.3 | 24.6 | -32.6 | 0 | 0 | 0 | 114.2 | R153 R157 F251 S332 | R153-P334 WeakPolarHBondContact CD-O 3.4Å; R157-P334 VanDerWaalsContact NH1-C 3.32Å; R157-P334 VanDerWaalsContact NH1-CA 3.31Å; R157-P334 PolarHBondContact NH1-O 2.91Å; F251-P334 HydrophobicContact CE1-CG 4.16Å; F251-P334 HydrophobicContact CZ-CG 4.48Å; S332-P334 WeakPolarHBondContact O-CD 3.22Å |
| 335 | F | 56.3 | Low | 37.4 | Very low | 26 Ų | 26 | 115.5 Ų | 115.5 | 11% | 0.114 | 70% | 0.703 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -114.3 | -0.3 | 179.2 | -58.2 | -78.9 | 0 | 0 | 0 | 113.9 | L150 F251 L253 K273 N333 G337 | L150-F335 HydrophobicContact CB-CE1 4.41Å; L150-F335 HydrophobicContact CD2-CD1 3.4Å; L150-F335 HydrophobicContact CD2-CE1 3.74Å; L150-F335 HydrophobicContact CD2-CG 4.36Å; F251-F335 HydrophobicContact CE2-CE2 4.04Å; F251-F335 HydrophobicContact CE2-CZ 4.03Å; F251-F335 HydrophobicContact CZ-CE2 4.29Å; F251-F335 HydrophobicContact CZ-CZ 4.33Å; L253-F335 HydrophobicContact CD1-CZ 4.41Å; L253-F335 HydrophobicContact CD2-CZ 4.45Å; K273-F335 HydrophobicContact CD-CD2 3.85Å; K273-F335 HydrophobicContact CD-CE2 3.61Å; K273-F335 VanDerWaalsContact NZ-CD2 3.3Å; N333-F335 PolarHBondContact O-N 3.09Å; F335-G337 PolarHBondContact O-N 2.96Å |
| 336 | S | 49.2 | Very low | 37.3 | Very low | 80 Ų | 80 | 116.3 Ų | 116.3 | 56% | 0.559 | 70% | 0.703 | S | S | * | * | trans | -74.6 | 112.7 | 174.2 | -62.6 | 0 | 0 | 0 | 0 | 110.1 | N333 | N333-S336 PolarHBondContact O-N 3.37Š| ||
| 337 | G | 38.6 | Very low | 37.2 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 68% | 0.68 | 71% | 0.71 | S | S | * | * | trans | -73.8 | 134.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F335 S339 | F335-G337 PolarHBondContact O-N 2.96Å; G337-S339 PolarHBondContact O-N 3.21Å | ||
| 338 | L | 35.2 | Very low | 36.9 | Very low | 174 Ų | 174 | 122.7 Ų | 122.7 | 91% | 0.911 | 71% | 0.707 | S | S | * | * | trans | -72 | 112.2 | 171.1 | -73.2 | 160.2 | 0 | 0 | 0 | 108.8 | A340 | L338-A340 PolarHBondContact O-N 2.92Š| ||
| 339 | S | 30.4 | Very low | 36.8 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 93% | 0.93 | 71% | 0.706 | S | S | * | * | trans | -75.7 | 102.1 | 159.2 | -76.4 | 0 | 0 | 0 | 0 | 108 | G337 | G337-S339 PolarHBondContact O-N 3.21Š| ||
| 340 | A | 32.4 | Very low | 36.4 | Very low | 100 Ų | 100 | 114.8 Ų | 114.8 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | trans | -96 | 131 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L338 | L338-A340 PolarHBondContact O-N 2.92Š| ||
| 341 | G | 27.6 | Very low | 36.3 | Very low | 83 Ų | 83 | 114.1 Ų | 114.1 | 86% | 0.856 | 70% | 0.704 | S | S | * | * | trans | 152.6 | 74.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 342 | S | 29.5 | Very low | 35.8 | Very low | 103 Ų | 103 | 114.8 Ų | 114.8 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | trans | -124.5 | 109.5 | 155.9 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 343 | H | 36.7 | Very low | 35.3 | Very low | 181 Ų | 181 | 116.4 Ų | 116.4 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | trans | 70 | 150.9 | 145.5 | -61.4 | -45.3 | 0 | 0 | 0 | 119.6 | ||||
| 344 | P | 39.1 | Very low | 34.4 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | cis | -144.4 | 174.6 | 41.7 | 36.2 | -12.5 | 0 | 0 | 0 | 119.3 | ||||
| 345 | R | 33 | Very low | 34.1 | Very low | 231 Ų | 231 | 121.7 Ų | 121.7 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -57.4 | 144.1 | 171.6 | -88.6 | 176.7 | 155.5 | -169.2 | -4.1 | 113.1 | ||||
| 346 | T | 28 | Very low | 32.8 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | 173.3 | 144.6 | 106 | 29.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 347 | R | 30.1 | Very low | 32.3 | Very low | 232 Ų | 232 | 125.9 Ų | 125.9 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | 89.3 | 101.1 | 148.3 | -112.5 | 179.2 | 156.1 | 178.3 | -7.1 | 122.6 | ||||
| 348 | S | 27.6 | Very low | 32.6 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 82% | 0.823 | S | S | * | * | 76.7 | 129.2 | 119.8 | 68 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 349 | V | 29.6 | Very low | 32.5 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 76% | 0.758 | 82% | 0.821 | S | S | * | * | 132.2 | 111.7 | 128.7 | -175.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 350 | S | 27.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 52.1 | 125.2 | 142.4 | -48.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 351 | A | 31.2 | Very low | 33.5 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | -170 | 153.6 | 115.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 352 | S | 29.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -92.9 | 150.7 | -162.6 | 52.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 353 | S | 31.6 | Very low | 35.2 | Very low | 127 Ų | 127 | 131 Ų | 131 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | 51.1 | 120 | 135.7 | -41.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 354 | G | 30.5 | Very low | 36.1 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 172 | 141.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 355 | P | 43.2 | Very low | 37 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -111.4 | 150.3 | -145.1 | 37.8 | -27.5 | 0 | 0 | 0 | 117.2 | ||||
| 356 | G | 28.2 | Very low | 37.7 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | 86 | 114.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 357 | S | 38.8 | Very low | 38.3 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 133.3 | 157.4 | 133.6 | -52.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 358 | P | 44.1 | Very low | 38.5 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -119.8 | 173 | -82.8 | 28.9 | -9.1 | 0 | 0 | 0 | 114.4 | |||||
| 359 | T | 33.2 | Very low | 38.7 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -53.2 | 136.5 | -175.3 | -24.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 360 | A | 40.2 | Very low | 39 | Very low | 81 Ų | 81 | 129 Ų | 129 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | -116.2 | 137.3 | 158 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 361 | P | 44.1 | Very low | 39.3 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 135 | -173.1 | 29.7 | -32.7 | 0 | 0 | 0 | 112.4 | ||
| 362 | H | 41.8 | Very low | 39.3 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 143.1 | 169.7 | -76.9 | -82.2 | 0 | 0 | 0 | 111.4 | ||
| 363 | P | 50.3 | Low | 39.3 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 149.3 | 172.3 | 30.6 | -32.3 | 0 | 0 | 0 | 111.7 | ||
| 364 | P | 57.1 | Low | 39.1 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.4 | -179.5 | 30.1 | -33.8 | 0 | 0 | 0 | 112.5 | ||
| 365 | P | 57.6 | Low | 39.6 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 152.7 | 174.6 | 30.8 | -33.1 | 0 | 0 | 0 | 112.6 | ||
| 366 | P | 47.3 | Very low | 38.9 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 154.6 | -177.3 | 29.4 | -34.7 | 0 | 0 | 0 | 113.1 | ||
| 367 | P | 41.7 | Very low | 38.9 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 140.8 | -174.1 | 29.6 | -32.6 | 0 | 0 | 0 | 112.8 | ||
| 368 | R | 33.8 | Very low | 38.6 | Very low | 245 Ų | 245 | 141.8 Ų | 141.8 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 124.7 | 168.4 | -86.3 | 178.1 | 175.2 | 142.4 | -1.5 | 110 | ||
| 369 | F | 30.5 | Very low | 38.3 | Very low | 206 Ų | 206 | 141.8 Ų | 141.8 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 125.3 | 165.9 | -85.3 | -91.7 | 0 | 0 | 0 | 110.5 | ||
| 370 | Q | 37.2 | Very low | 38.4 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -105.2 | 132.6 | 160 | -77.5 | -168.3 | -25.7 | 0 | 0 | 108.7 | ||||
| 371 | P | 33.3 | Very low | 38.1 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 125.4 | 166.5 | -4.9 | 23.3 | 0 | 0 | 0 | 110.3 | ||
| 372 | H | 30.8 | Very low | 37.4 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 145.6 | 173.2 | -70.9 | -38.3 | 0 | 0 | 0 | 112.7 | ||
| 373 | H | 30.6 | Very low | 36.8 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 144.8 | 171.5 | -83.1 | -85.1 | 0 | 0 | 0 | 112.4 | ||
| 374 | G | 27.5 | Very low | 35.6 | Very low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 125.5 | 160.3 | 147.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 375 | P | 39.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | cis | -135.1 | 147.8 | -48.3 | 35.6 | -21.5 | 0 | 0 | 0 | 111.8 | ||||
| 376 | W | 28.8 | Very low | 32.8 | Very low | 267 Ų | 267 | 147.7 Ų | 147.7 | 100% | 1.011 | 82% | 0.818 | S | S | * | * | trans | -175.1 | 137.9 | 149 | -103.7 | 4.7 | 0 | 0 | 0 | 114.7 | ||||
| 377 | G | 28.4 | Very low | 32 | Very low | 72 Ų | 72 | 148.2 Ų | 148.2 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | 91 | 104.1 | 138 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 378 | A | 33.6 | Very low | 31.4 | Very low | 101 Ų | 101 | 154.3 Ų | 154.3 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | trans | -64.6 | 158.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 379 | P | 36.4 | Very low | 31.5 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | -142.6 | 172.3 | 107.3 | 31.9 | -13.3 | 0 | 0 | 0 | 115.8 | |||||
| 380 | S | 34.9 | Very low | 31.4 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -62.9 | 166.5 | -168.1 | 46.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 381 | P | 35 | Very low | 31 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -105.7 | 133.6 | -175.4 | 36.9 | -26.1 | 0 | 0 | 0 | 114.3 | ||||
| 382 | Q | 29.2 | Very low | 30.6 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -162.9 | 147.7 | 159.8 | -77.7 | -161.5 | -16.4 | 0 | 0 | 107.6 | ||||
| 383 | A | 28.4 | Very low | 30.4 | Very low | 82 Ų | 82 | 145.2 Ų | 145.2 | 68% | 0.678 | 83% | 0.83 | S | S | * | * | cis | -157 | 157.1 | -2.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 384 | H | 25.8 | Very low | 30.9 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | -65.2 | 140.6 | 173.3 | -72.9 | -86.5 | 0 | 0 | 0 | 112.9 | ||||
| 385 | F | 26.9 | Very low | 30.8 | Very low | 207 Ų | 207 | 142.9 Ų | 142.9 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | trans | -136.2 | 119.6 | 153.2 | -87.2 | -80.5 | 0 | 0 | 0 | 110.4 | ||||
| 386 | S | 28.5 | Very low | 30.1 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 152.3 | 173 | -51.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 387 | P | 31.1 | Very low | 30 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 135.7 | 157.6 | 22.6 | -6.7 | 0 | 0 | 0 | 111 | ||
| 388 | R | 29.8 | Very low | 29.9 | Very low | 244 Ų | 244 | 143.6 Ų | 143.6 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -104 | 158.5 | 167.5 | -101.1 | -168.3 | 179.4 | 178.9 | 0.9 | 110.6 | ||
| 389 | P | 34.6 | Very low | 29.5 | Very low | 105 Ų | 105 | 144 Ų | 144 | 68% | 0.682 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 162 | -162.8 | 37.7 | -33.8 | 0 | 0 | 0 | 113.3 | ||
| 390 | H | 28.1 | Very low | 29 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 91% | 0.912 | 82% | 0.823 | S | S | * | * | trans | -127.4 | 122.3 | 164.8 | -93.1 | 6.3 | 0 | 0 | 0 | 110.3 | ||||
| 391 | D | 28.8 | Very low | 28.7 | Very low | 169 Ų | 169 | 148 Ų | 148 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | trans | -91 | 147.9 | 169.7 | -80.1 | -44.5 | 0 | 0 | 0 | 110.8 | ||||
| 392 | G | 24.8 | Very low | 28.3 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 162.3 | 96.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 393 | L | 28.1 | Very low | 28.4 | Very low | 170 Ų | 170 | 141 Ų | 141 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -84.8 | 179.9 | 169.4 | -87.8 | 155.7 | 0 | 0 | 0 | 111.9 | ||||
| 394 | P | 40.8 | Very low | 28.7 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | cis | -137.4 | -179.1 | -19.6 | 29.5 | -6.5 | 0 | 0 | 0 | 115.8 | ||||
| 395 | A | 24.4 | Very low | 29.1 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | 88.6 | 111.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 396 | A | 24.6 | Very low | 29.2 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -166 | 123.4 | 132.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y398 | A396-Y398 PolarHBondContact O-N 2.69Š| ||
| 397 | L | 27.4 | Very low | 29.8 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -58.5 | 125.7 | 168.9 | -72.3 | 151.5 | 0 | 0 | 0 | 110.2 | ||||
| 398 | Y | 26.8 | Very low | 30.1 | Very low | 206 Ų | 206 | 142.5 Ų | 142.5 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -137 | 107.4 | 154.3 | -97.7 | -84 | 0 | 0 | 0 | 109.5 | A396 N400 | A396-Y398 PolarHBondContact O-N 2.69Å; Y398-N400 PolarHBondContact O-N 3.46Å | ||
| 399 | S | 26 | Very low | 30.4 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -54.6 | 110.9 | 158.3 | -60 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 400 | N | 24.9 | Very low | 30.5 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -102.3 | 97.1 | 166.9 | -96.2 | -40.7 | 0 | 0 | 0 | 108.4 | Y398 G402 | Y398-N400 PolarHBondContact O-N 3.46Å; N400-G402 VanDerWaalsContact C-N 3.29Å; N400-G402 PolarHBondContact O-N 2.97Å | ||
| 401 | L | 28.8 | Very low | 30.8 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 90% | 0.895 | 74% | 0.742 | S | S | * | * | trans | -66.6 | 93 | 157 | -86.1 | 148.1 | 0 | 0 | 0 | 107.1 | A403 | L401-A403 PolarHBondContact O-N 2.79Å; L401-A403 VanDerWaalsContact O-N 3.15Å | ||
| 402 | G | 27.4 | Very low | 31.2 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | trans | -72.9 | 99.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | N400 Y404 | N400-G402 VanDerWaalsContact C-N 3.29Å; N400-G402 PolarHBondContact O-N 2.97Å; G402-Y404 PolarHBondContact O-N 3.28Å; G402-Y404 VanDerWaalsContact O-N 3.1Å | ||
| 403 | A | 30 | Very low | 31.9 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | -63.3 | 105.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | L401 R405 | L401-A403 PolarHBondContact O-N 2.79Å; L401-A403 VanDerWaalsContact O-N 3.15Å; A403-R405 PolarHBondContact O-N 2.91Å | ||
| 404 | Y | 36 | Very low | 32.4 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 58% | 0.584 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 125.3 | 176.6 | 179.5 | -107.5 | 0 | 0 | 0 | 109.9 | G402 | G402-Y404 PolarHBondContact O-N 3.28Å; G402-Y404 VanDerWaalsContact O-N 3.1Å |
| 405 | R | 33.5 | Very low | 32.3 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 131 | 167.8 | -79.1 | -175.1 | 178.9 | -172.4 | 2.4 | 107.7 | A403 L409 | A403-R405 PolarHBondContact O-N 2.91Å; R405-L409 HydrophobicContact CB-CD1 4.31Å; R405-L409 HydrophobicContact CG-CD1 4.34Å |
| 406 | P | 29.8 | Very low | 33.2 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 148.2 | 180 | -20.9 | 30.6 | 0 | 0 | 0 | 112.3 | R408 L409 | P406-R408 PolarHBondContact O-N 3.45Å; P406-L409 PolarHBondContact O-N 2.73Å |
| 407 | T | 39.3 | Very low | 33.7 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 56% | 0.564 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -52.6 | -11.3 | -178.6 | -34.9 | 0 | 0 | 0 | 0 | 114.7 | L409 Q410 | T407-L409 PolarHBondContact O-N 3.43Å; T407-Q410 PolarHBondContact O-N 3.33Å |
| 408 | R | 37.9 | Very low | 34.1 | Very low | 227 Ų | 227 | 131.1 Ų | 131.1 | 86% | 0.857 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -66 | -21.8 | 171.9 | -143.2 | -177.3 | -170.2 | -157.4 | 2.8 | 113.6 | P406 | P406-R408 PolarHBondContact O-N 3.45Š|
| 409 | L | 36.8 | Very low | 34.3 | Very low | 82 Ų | 82 | 133 Ų | 133 | 43% | 0.429 | 71% | 0.707 | S | S | . | * | G | 310 helix | trans | -93.8 | -6.6 | 175.6 | -74.4 | 170.5 | 0 | 0 | 0 | 114 | R405 P406 T407 L411 E412 | R405-L409 HydrophobicContact CB-CD1 4.31Å; R405-L409 HydrophobicContact CG-CD1 4.34Å; P406-L409 PolarHBondContact O-N 2.73Å; T407-L409 PolarHBondContact O-N 3.43Å; L409-L411 PolarHBondContact O-N 2.99Å; L409-E412 PolarHBondContact O-N 3.15Å |
| 410 | Q | 35.4 | Very low | 34.7 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 56% | 0.556 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -75.5 | -11.2 | 177.4 | -143.8 | 171.6 | 15.9 | 0 | 0 | 112.6 | T407 E412 Q413 | T407-Q410 PolarHBondContact O-N 3.33Å; Q410-E412 PolarHBondContact O-N 3.17Å; Q410-Q413 PolarHBondContact O-N 3.12Å |
| 411 | L | 35.9 | Very low | 35 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -68.5 | -17.8 | 173.6 | -155.9 | 72.2 | 0 | 0 | 0 | 112.7 | L409 Q413 L414 | L409-L411 PolarHBondContact O-N 2.99Å; L411-Q413 VanDerWaalsContact C-N 3.31Å; L411-L414 HydrophobicContact CD1-CD1 4.48Å |
| 412 | E | 37.2 | Very low | 35.2 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -78.5 | -10.8 | 174.7 | -70.4 | -165.7 | 139.2 | 0 | 0 | 113.9 | L409 Q410 | L409-E412 PolarHBondContact O-N 3.15Å; Q410-E412 PolarHBondContact O-N 3.17Å |
| 413 | Q | 38.2 | Very low | 35.4 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -90.8 | -2.9 | 178 | -84.3 | 176.3 | -28.1 | 0 | 0 | 114.4 | Q410 L411 G415 | Q410-Q413 PolarHBondContact O-N 3.12Å; L411-Q413 VanDerWaalsContact C-N 3.31Å; Q413-G415 VanDerWaalsContact C-N 3.35Å; Q413-G415 PolarHBondContact O-N 3.34Å |
| 414 | L | 38.6 | Very low | 35.2 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 67% | 0.665 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -91.4 | 71.3 | 170.1 | -69.7 | 168.8 | 0 | 0 | 0 | 109.7 | L411 L416 | L411-L414 HydrophobicContact CD1-CD1 4.48Å; L414-L416 PolarHBondContact O-N 3.28Å |
| 415 | G | 38.7 | Very low | 35 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | trans | -24.9 | 77.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q413 | Q413-G415 VanDerWaalsContact C-N 3.35Å; Q413-G415 PolarHBondContact O-N 3.34Å | ||
| 416 | L | 44.4 | Very low | 34.9 | Very low | 164 Ų | 164 | 141 Ų | 141 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | trans | -139.4 | 58.6 | 175.6 | -73.3 | 176 | 0 | 0 | 0 | 112.3 | L414 | L414-L416 PolarHBondContact O-N 3.28Š| ||
| 417 | V | 34.5 | Very low | 34.9 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | trans | -143.9 | 136.4 | 152.9 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 418 | P | 36.1 | Very low | 34.4 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 53% | 0.532 | 75% | 0.75 | S | S | . | * | trans | -76.4 | 143.8 | -178.7 | -6.6 | 24 | 0 | 0 | 0 | 112.6 | L420 | P418-L420 PolarHBondContact O-N 3.3Š| ||
| 419 | R | 31.4 | Very low | 34.1 | Very low | 245 Ų | 245 | 147.4 Ų | 147.4 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | trans | -62.4 | 121.8 | 168.7 | -65.7 | -174.3 | -178.9 | -143.1 | 0.6 | 110.2 | ||||
| 420 | L | 33.6 | Very low | 33.6 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | -118.2 | 110.8 | 159.1 | -81.2 | 166.5 | 0 | 0 | 0 | 108 | P418 | P418-L420 PolarHBondContact O-N 3.3Š| ||
| 421 | T | 30.9 | Very low | 33.6 | Very low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -76.6 | 131.6 | 167.5 | 44.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 422 | P | 32.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -101.1 | 105.8 | 155.1 | 30.7 | -18.9 | 0 | 0 | 0 | 108.8 | W424 | P422-W424 PolarHBondContact O-N 3.03Š| ||
| 423 | T | 31.7 | Very low | 33.5 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -77.7 | 105.6 | 161 | 42.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 424 | W | 25.7 | Very low | 33.3 | Very low | 246 Ų | 246 | 152.3 Ų | 152.3 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -143.5 | 109.9 | 158.3 | -80.4 | 94.1 | 0 | 0 | 0 | 108.5 | P422 | P422-W424 PolarHBondContact O-N 3.03Š| ||
| 425 | R | 31.4 | Very low | 33.1 | Very low | 226 Ų | 226 | 153.6 Ų | 153.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -94.7 | 147.2 | 164.2 | -81.9 | -161.1 | -167.1 | -119.8 | 6.5 | 109.2 | ||||
| 426 | P | 32.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 157.8 Ų | 157.8 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -88.8 | 142.2 | 175.7 | 35.1 | -29.7 | 0 | 0 | 0 | 110.5 | ||||
| 427 | F | 28.7 | Very low | 32.1 | Very low | 202 Ų | 202 | 157.5 Ų | 157.5 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | -139.8 | 122.3 | 153.3 | -90.6 | -76 | 0 | 0 | 0 | 109.9 | ||||
| 428 | L | 30.1 | Very low | 32 | Very low | 158 Ų | 158 | 159.8 Ų | 159.8 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -75.7 | 132.8 | 168.3 | -84.9 | 156.5 | 0 | 0 | 0 | 109.8 | ||||
| 429 | Q | 30.7 | Very low | 31.7 | Very low | 179 Ų | 179 | 164.6 Ų | 164.6 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | trans | 63.1 | 110.5 | 131.1 | -156.8 | 172.1 | 4.5 | 0 | 0 | 120.1 | ||||
| 430 | A | 27.8 | Very low | 31.7 | Very low | 97 Ų | 97 | 159.3 Ų | 159.3 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | -174.8 | 122.2 | 124 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 431 | S | 33.4 | Very low | 31.6 | Very low | 115 Ų | 115 | 159.5 Ų | 159.5 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -66.1 | 164.4 | 153.4 | -44.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 432 | P | 42.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 162.3 Ų | 162.3 | 62% | 0.623 | 83% | 0.829 | S | S | * | * | -153.6 | 178.4 | 56.3 | 33.1 | -7.2 | 0 | 0 | 0 | 117.3 | |||||
| 433 | H | 28.9 | Very low | 31.5 | Very low | 165 Ų | 165 | 165.9 Ų | 165.9 | 76% | 0.764 | 83% | 0.833 | S | S | * | * | trans | 70.3 | 132.1 | 161.5 | -50.9 | -57.5 | 0 | 0 | 0 | 115.9 | ||||
| 434 | F | 34.6 | Very low | 31.5 | Very low | 273 Ų | 273 | 169.9 Ų | 169.9 | 100% | 1.197 | 84% | 0.841 | S | S | * | * | cis | -144.6 | 0 | 19.5 | -116 | -83.9 | 0 | 0 | 0 | 109.2 |
Retrieved 434 of 434 residues in 129.7 ms
(Link to these results)