| 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 | 46 | Very low | 72.2 | Confident | 242 Ų | 242 | 125.4 Ų | 125.4 | 100% | 1.192 | 74% | 0.744 | S | S | * | * | 0 | 113 | 0 | -69.4 | -63.8 | -178.9 | 0 | 0 | 107.8 | A3 | M1-A3 PolarHBondContact O-N 2.99Š| |||
| 2 | A | 57.8 | Low | 73.6 | Confident | 109 Ų | 109 | 121.4 Ų | 121.4 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 121.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 3 | A | 64.8 | Low | 74.8 | Confident | 91 Ų | 91 | 122 Ų | 122 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 136.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 R5 | M1-A3 PolarHBondContact O-N 2.99Å; A3-R5 PolarHBondContact O-N 2.65Å |
| 4 | S | 71.3 | Confident | 75.9 | Confident | 103 Ų | 103 | 123.1 Ų | 123.1 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 129.5 | 175.5 | 53 | 0 | 0 | 0 | 0 | 109.7 | L6 | S4-L6 PolarHBondContact O-N 2.76Š|
| 5 | R | 81.4 | Confident | 76.8 | Confident | 254 Ų | 254 | 121.3 Ų | 121.3 | 96% | 0.958 | 69% | 0.692 | S | S | * | * | trans | -78.1 | 5.4 | 176 | -64 | -175.4 | 176.3 | -173.8 | -1.4 | 113.2 | A3 | A3-R5 PolarHBondContact O-N 2.65Š| ||
| 6 | L | 77.7 | Confident | 77.7 | Confident | 116 Ų | 116 | 120.2 Ų | 120.2 | 61% | 0.607 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -86.5 | 134.8 | -176.9 | -65.5 | 176.9 | 0 | 0 | 0 | 109.7 | S4 T10 | S4-L6 PolarHBondContact O-N 2.76Å; L6-T10 HydrophobicContact CD1-CG2 4.34Å; L6-T10 HydrophobicContact CD2-CG2 4.4Å |
| 7 | P | 79.2 | Confident | 78.6 | Confident | 80 Ų | 80 | 117.7 Ų | 117.7 | 52% | 0.519 | 66% | 0.661 | S | S | . | * | trans | -52.9 | 144.9 | 169.5 | -24 | 31.4 | 0 | 0 | 0 | 111.2 | A9 T10 | P7-A9 PolarHBondContact O-N 3.47Å; P7-T10 WeakPolarHBondContact CD-OG1 3.47Å; P7-T10 WeakPolarHBondContact O-CB 3.45Å; P7-T10 PolarHBondContact O-N 3.29Å; P7-T10 PolarHBondContact O-OG1 2.93Å; P7-T10 VanDerWaalsContact O-OG1 3.12Å | ||
| 8 | P | 71.6 | Confident | 79.5 | Confident | 146 Ų | 146 | 114.1 Ų | 114.1 | 95% | 0.948 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -16.4 | 179.6 | 22.5 | -31.7 | 0 | 0 | 0 | 113.6 | ||
| 9 | A | 76.8 | Confident | 80.2 | Confident | 93 Ų | 93 | 115.9 Ų | 115.9 | 77% | 0.769 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -0 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P7 L11 | P7-A9 PolarHBondContact O-N 3.47Å; A9-L11 PolarHBondContact O-N 3.1Å |
| 10 | T | 83 | Confident | 81 | Confident | 68 Ų | 68 | 114.3 Ų | 114.3 | 42% | 0.417 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -73 | 125.4 | -179.9 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | L6 P7 | L6-T10 HydrophobicContact CD1-CG2 4.34Å; L6-T10 HydrophobicContact CD2-CG2 4.4Å; P7-T10 WeakPolarHBondContact CD-OG1 3.47Å; P7-T10 WeakPolarHBondContact O-CB 3.45Å; P7-T10 PolarHBondContact O-N 3.29Å; P7-T10 PolarHBondContact O-OG1 2.93Å; P7-T10 VanDerWaalsContact O-OG1 3.12Å |
| 11 | L | 84.1 | Confident | 81.7 | Confident | 77 Ų | 77 | 112.3 Ų | 112.3 | 40% | 0.403 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 142.2 | 174.4 | -64.1 | 177.7 | 0 | 0 | 0 | 110.7 | A9 Q15 F16 | A9-L11 PolarHBondContact O-N 3.1Å; L11-Q15 HydrophobicContact CB-CB 3.99Å; L11-Q15 HydrophobicContact CD2-CB 4.11Å; L11-Q15 HydrophobicContact CG-CB 4.48Å; L11-F16 HydrophobicContact CB-CB 4.49Å |
| 12 | T | 89.5 | Confident | 84.1 | Confident | 78 Ų | 78 | 103 Ų | 103 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 156.9 | 166.7 | 67.8 | 0 | 0 | 0 | 0 | 109.9 | K14 Q15 F16 | T12-K14 PolarHBondContact O-N 2.85Å; T12-Q15 PolarHBondContact O-N 3.46Å; T12-Q15 VanDerWaalsContact OG1-CG 3.3Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.3Å; T12-Q15 PolarHBondContact OG1-N 3.49Å; T12-Q15 PolarHBondContact OG1-OE1 2.75Å; T12-F16 PolarHBondContact O-N 3.11Å |
| 13 | L | 89.3 | Confident | 86 | Confident | 129 Ų | 129 | 100.6 Ų | 100.6 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -53.3 | -40.5 | 177.5 | 178.2 | 60.9 | 0 | 0 | 0 | 112.1 | F16 I17 | L13-F16 PolarHBondContact O-N 2.87Å; L13-I17 HydrophobicContact CD1-CD1 4.09Å; L13-I17 HydrophobicContact CD1-CG1 4.32Å; L13-I17 HydrophobicContact CG-CD1 4.04Å; L13-I17 WeakPolarHBondContact O-CG1 3.29Å; L13-I17 PolarHBondContact O-N 3.3Å |
| 14 | K | 89.7 | Confident | 87.5 | Confident | 137 Ų | 137 | 101.1 Ų | 101.1 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -50.3 | 176.3 | -68.3 | -175.1 | 178.5 | -177.6 | 0 | 111.6 | T12 F16 I17 R18 | T12-K14 PolarHBondContact O-N 2.85Å; K14-F16 VanDerWaalsContact C-N 3.29Å; K14-F16 PolarHBondContact O-N 2.99Å; K14-I17 PolarHBondContact O-N 3.31Å; K14-R18 WeakPolarHBondContact O-CG 3.42Å; K14-R18 PolarHBondContact O-N 2.94Å |
| 15 | Q | 89.9 | Confident | 88.8 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 177.3 | -72.9 | 168.2 | -18.1 | 0 | 0 | 111.9 | L11 T12 R18 R19 | L11-Q15 HydrophobicContact CB-CB 3.99Å; L11-Q15 HydrophobicContact CD2-CB 4.11Å; L11-Q15 HydrophobicContact CG-CB 4.48Å; T12-Q15 PolarHBondContact O-N 3.46Å; T12-Q15 VanDerWaalsContact OG1-CG 3.3Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.3Å; T12-Q15 PolarHBondContact OG1-N 3.49Å; T12-Q15 PolarHBondContact OG1-OE1 2.75Å; Q15-R18 PolarHBondContact O-N 3.22Å; Q15-R19 WeakPolarHBondContact O-CB 3.42Å; Q15-R19 PolarHBondContact O-N 3.41Å |
| 16 | F | 91.4 | Very high | 89.6 | Confident | 104 Ų | 104 | 87.4 Ų | 87.4 | 46% | 0.456 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 175.2 | 177.2 | -96.8 | 0 | 0 | 0 | 111.7 | L11 T12 L13 K14 R18 R19 Q20 | L11-F16 HydrophobicContact CB-CB 4.49Å; T12-F16 PolarHBondContact O-N 3.11Å; L13-F16 PolarHBondContact O-N 2.87Å; K14-F16 VanDerWaalsContact C-N 3.29Å; K14-F16 PolarHBondContact O-N 2.99Å; F16-R18 PolarHBondContact O-N 3.24Å; F16-R19 WeakPolarHBondContact O-CB 3.39Å; F16-R19 PolarHBondContact O-N 3.06Å; F16-Q20 HydrophobicContact CD1-CG 4.45Å; F16-Q20 HydrophobicContact CE1-CG 4.02Å; F16-Q20 HydrophobicContact CZ-CG 4.08Å; F16-Q20 WeakPolarHBondContact O-CG 3.31Å; F16-Q20 PolarHBondContact O-N 3.3Å |
| 17 | I | 93.4 | Very high | 90.5 | Very high | 78 Ų | 78 | 88.9 Ų | 88.9 | 40% | 0.4 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 177.9 | -69.2 | 168.8 | 0 | 0 | 0 | 110.7 | L13 K14 R19 Q20 Q21 | L13-I17 HydrophobicContact CD1-CD1 4.09Å; L13-I17 HydrophobicContact CD1-CG1 4.32Å; L13-I17 HydrophobicContact CG-CD1 4.04Å; L13-I17 WeakPolarHBondContact O-CG1 3.29Å; L13-I17 PolarHBondContact O-N 3.3Å; K14-I17 PolarHBondContact O-N 3.31Å; I17-R19 VanDerWaalsContact C-N 3.34Å; I17-R19 PolarHBondContact O-N 2.94Å; I17-Q20 PolarHBondContact O-N 3.27Å; I17-Q21 WeakPolarHBondContact O-CG 3.24Å; I17-Q21 PolarHBondContact O-N 2.96Å |
| 18 | R | 93.8 | Very high | 91.4 | Very high | 53 Ų | 53 | 89.6 Ų | 89.6 | 20% | 0.2 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 176.5 | -65.9 | -62.1 | 174.2 | -144.4 | -3.3 | 111.7 | K14 Q15 F16 Q20 Q21 V22 E62 I65 R66 | K14-R18 WeakPolarHBondContact O-CG 3.42Å; K14-R18 PolarHBondContact O-N 2.94Å; Q15-R18 PolarHBondContact O-N 3.22Å; F16-R18 PolarHBondContact O-N 3.24Å; R18-Q20 VanDerWaalsContact C-N 3.31Å; R18-Q20 PolarHBondContact O-N 3.23Å; R18-Q21 WeakPolarHBondContact O-CB 3.4Å; R18-Q21 PolarHBondContact O-N 2.84Å; R18-Q21 VanDerWaalsContact O-N 3.15Å; R18-V22 WeakPolarHBondContact O-CG2 3.42Å; R18-V22 PolarHBondContact O-N 3.23Å; R18-E62 IonicContact CZ-OE1 3.88Å; R18-E62 IonicContact NE-OE1 3.3Å; R18-E62 PolarHBondContact NE-OE1 3.5Å; R18-E62 VanDerWaalsContact NE-OE1 3.08Å; R18-E62 IonicContact NH2-OE1 3.79Å; R18-E62 PolarHBondContact NH2-OE1 3.13Å; R18-I65 HydrophobicContact CB-CG2 4.2Å; R18-R66 VanDerWaalsContact CZ-CG 3.5Å |
| 19 | R | 93 | Very high | 92.7 | Very high | 148 Ų | 148 | 83.3 Ų | 83.3 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57.8 | -43.3 | 175.5 | -175.3 | -177.9 | -179.7 | 101.1 | -2.6 | 111.8 | Q15 F16 I17 V22 L23 | Q15-R19 WeakPolarHBondContact O-CB 3.42Å; Q15-R19 PolarHBondContact O-N 3.41Å; F16-R19 WeakPolarHBondContact O-CB 3.39Å; F16-R19 PolarHBondContact O-N 3.06Å; I17-R19 VanDerWaalsContact C-N 3.34Å; I17-R19 PolarHBondContact O-N 2.94Å; R19-V22 PolarHBondContact O-N 2.87Å; R19-L23 HydrophobicContact CG-CD1 4.15Å; R19-L23 HydrophobicContact CG-CG 4.5Å; R19-L23 WeakPolarHBondContact O-CB 3.36Å; R19-L23 VanDerWaalsContact O-CG 3.29Å; R19-L23 WeakPolarHBondContact O-CG 3.33Å; R19-L23 PolarHBondContact O-N 3.5Å |
| 20 | Q | 95.6 | Very high | 93.7 | Very high | 84 Ų | 84 | 80.3 Ų | 80.3 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.4 | -67.2 | -56.6 | -42.1 | 0 | 0 | 112 | F16 I17 R18 L23 L24 | F16-Q20 HydrophobicContact CD1-CG 4.45Å; F16-Q20 HydrophobicContact CE1-CG 4.02Å; F16-Q20 HydrophobicContact CZ-CG 4.08Å; F16-Q20 WeakPolarHBondContact O-CG 3.31Å; F16-Q20 PolarHBondContact O-N 3.3Å; I17-Q20 PolarHBondContact O-N 3.27Å; R18-Q20 VanDerWaalsContact C-N 3.31Å; R18-Q20 PolarHBondContact O-N 3.23Å; Q20-L23 PolarHBondContact O-N 3.03Å; Q20-L24 WeakPolarHBondContact O-CB 3.32Å; Q20-L24 PolarHBondContact O-N 3.08Å |
| 21 | Q | 96.5 | Very high | 94.4 | Very high | 73 Ų | 73 | 82.3 Ų | 82.3 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 176.9 | -68.9 | 178.3 | -32.7 | 0 | 0 | 112.2 | I17 R18 L24 L25 I69 | I17-Q21 WeakPolarHBondContact O-CG 3.24Å; I17-Q21 PolarHBondContact O-N 2.96Å; R18-Q21 WeakPolarHBondContact O-CB 3.4Å; R18-Q21 PolarHBondContact O-N 2.84Å; R18-Q21 VanDerWaalsContact O-N 3.15Å; Q21-L24 PolarHBondContact O-N 3.25Å; Q21-L25 WeakPolarHBondContact O-CB 3.35Å; Q21-L25 PolarHBondContact O-N 3.48Å; Q21-I69 HydrophobicContact CB-CD1 3.84Å |
| 22 | V | 96.6 | Very high | 95 | Very high | 47 Ų | 47 | 79 Ų | 79 | 29% | 0.285 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.2 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | R18 R19 L24 L25 Y26 F53 I65 I69 | R18-V22 WeakPolarHBondContact O-CG2 3.42Å; R18-V22 PolarHBondContact O-N 3.23Å; R19-V22 PolarHBondContact O-N 2.87Å; V22-L24 PolarHBondContact O-N 3.49Å; V22-L25 PolarHBondContact O-N 2.99Å; V22-Y26 WeakPolarHBondContact O-CB 3.26Å; V22-Y26 PolarHBondContact O-N 3.23Å; V22-F53 HydrophobicContact CG1-CD1 3.92Å; V22-F53 HydrophobicContact CG1-CE1 3.79Å; V22-I65 HydrophobicContact CG2-CG2 4.05Å; V22-I69 HydrophobicContact CG2-CD1 3.91Å; V22-I69 HydrophobicContact CG2-CG1 3.94Å |
| 23 | L | 96.6 | Very high | 95.3 | Very high | 57 Ų | 57 | 75.5 Ų | 75.5 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 179.5 | -71.4 | 175 | 0 | 0 | 0 | 112.4 | R19 Q20 R27 | R19-L23 HydrophobicContact CG-CD1 4.15Å; R19-L23 HydrophobicContact CG-CG 4.5Å; R19-L23 WeakPolarHBondContact O-CB 3.36Å; R19-L23 VanDerWaalsContact O-CG 3.29Å; R19-L23 WeakPolarHBondContact O-CG 3.33Å; R19-L23 PolarHBondContact O-N 3.5Å; Q20-L23 PolarHBondContact O-N 3.03Å; L23-R27 WeakPolarHBondContact O-CG 3.42Å; L23-R27 PolarHBondContact O-N 3.01Å; L23-R27 VanDerWaalsContact O-N 3.08Å |
| 24 | L | 97.8 | Very high | 95.6 | Very high | 102 Ų | 102 | 78 Ų | 78 | 53% | 0.534 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 175.6 | -179.8 | 62.5 | 0 | 0 | 0 | 110.9 | Q20 Q21 V22 Y26 R27 R28 | Q20-L24 WeakPolarHBondContact O-CB 3.32Å; Q20-L24 PolarHBondContact O-N 3.08Å; Q21-L24 PolarHBondContact O-N 3.25Å; V22-L24 PolarHBondContact O-N 3.49Å; L24-Y26 VanDerWaalsContact C-N 3.34Å; L24-Y26 PolarHBondContact O-N 3.35Å; L24-R27 PolarHBondContact O-N 3.16Å; L24-R28 HydrophobicContact CD1-CG 4.47Å; L24-R28 WeakPolarHBondContact O-CG 3.3Å; L24-R28 PolarHBondContact O-N 3.06Å |
| 25 | L | 97.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 76.1 Ų | 76.1 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 176.9 | 177.5 | 59.1 | 0 | 0 | 0 | 111.2 | Q21 V22 R27 R28 I29 F53 L76 | Q21-L25 WeakPolarHBondContact O-CB 3.35Å; Q21-L25 PolarHBondContact O-N 3.48Å; V22-L25 PolarHBondContact O-N 2.99Å; L25-R27 PolarHBondContact O-N 2.63Å; L25-R28 PolarHBondContact O-N 2.92Å; L25-I29 HydrophobicContact CD1-CD1 3.88Å; L25-I29 HydrophobicContact CD1-CG1 4.17Å; L25-I29 HydrophobicContact CG-CD1 3.9Å; L25-I29 WeakPolarHBondContact O-CG1 3.33Å; L25-I29 PolarHBondContact O-N 2.99Å; L25-F53 HydrophobicContact CD2-CZ 4.39Å; L25-F53 HydrophobicContact CG-CZ 4.2Å; L25-L76 HydrophobicContact CD1-CD2 4.12Å |
| 26 | Y | 97.7 | Very high | 96.1 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.8 | -48.5 | 176.5 | -179.2 | -110.1 | 0 | 0 | 0 | 112.4 | V22 L24 R28 I29 L30 R50 F53 | V22-Y26 WeakPolarHBondContact O-CB 3.26Å; V22-Y26 PolarHBondContact O-N 3.23Å; L24-Y26 VanDerWaalsContact C-N 3.34Å; L24-Y26 PolarHBondContact O-N 3.35Å; Y26-R28 PolarHBondContact O-N 2.9Å; Y26-I29 PolarHBondContact O-N 3.36Å; Y26-L30 HydrophobicContact CD1-CD1 4.17Å; Y26-L30 HydrophobicContact CE1-CD1 3.47Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.47Å; Y26-L30 HydrophobicContact CE1-CG 4.27Å; Y26-L30 HydrophobicContact CE2-CD1 4.18Å; Y26-L30 HydrophobicContact CE2-CD2 4.5Å; Y26-L30 HydrophobicContact CE2-CG 4.26Å; Y26-L30 VanDerWaalsContact CZ-CD1 3.49Å; Y26-L30 WeakPolarHBondContact O-CG 3.46Å; Y26-L30 PolarHBondContact O-N 2.92Å; Y26-R50 WeakPolarHBondContact OH-CG 3.48Å; Y26-F53 HydrophobicContact CD2-CB 4.2Å; Y26-F53 AromaticContact CD2-CD1 3.81Å; Y26-F53 HydrophobicContact CD2-CD1 3.81Å; Y26-F53 AromaticContact CD2-CD2 3.74Å; Y26-F53 HydrophobicContact CD2-CD2 3.74Å; Y26-F53 HydrophobicContact CD2-CE1 4.06Å; Y26-F53 AromaticContact CD2-CE2 3.97Å; Y26-F53 HydrophobicContact CD2-CE2 3.97Å; Y26-F53 AromaticContact CD2-CG 3.63Å; Y26-F53 HydrophobicContact CD2-CG 3.63Å; Y26-F53 HydrophobicContact CD2-CZ 4.12Å; Y26-F53 HydrophobicContact CE2-CB 4.37Å; Y26-F53 HydrophobicContact CE2-CD2 4.32Å; Y26-F53 HydrophobicContact CE2-CG 4.24Å; Y26-F53 HydrophobicContact CG-CD1 4.23Å; Y26-F53 HydrophobicContact CG-CE1 4.28Å; Y26-F53 HydrophobicContact CG-CG 4.48Å |
| 27 | R | 98 | Very high | 96.1 | Very high | 148 Ų | 148 | 71.7 Ų | 71.7 | 56% | 0.558 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.1 | -44.1 | 179.3 | -71.7 | 173.1 | -170.4 | 167.6 | 3.5 | 111.6 | L23 L24 L25 L30 Q31 | L23-R27 WeakPolarHBondContact O-CG 3.42Å; L23-R27 PolarHBondContact O-N 3.01Å; L23-R27 VanDerWaalsContact O-N 3.08Å; L24-R27 PolarHBondContact O-N 3.16Å; L25-R27 PolarHBondContact O-N 2.63Å; R27-L30 PolarHBondContact O-N 3.36Å; R27-Q31 WeakPolarHBondContact O-CB 3.36Å; R27-Q31 VanDerWaalsContact O-CG 3.28Å; R27-Q31 WeakPolarHBondContact O-CG 3.29Å; R27-Q31 PolarHBondContact O-N 2.87Å |
| 28 | R | 98.1 | Very high | 96.1 | Very high | 94 Ų | 94 | 71.6 Ų | 71.6 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 178.3 | -72.5 | -175.7 | 64.1 | -170.5 | -4.3 | 111.7 | L24 L25 Y26 L30 Q31 T32 L76 E80 | L24-R28 HydrophobicContact CD1-CG 4.47Å; L24-R28 WeakPolarHBondContact O-CG 3.3Å; L24-R28 PolarHBondContact O-N 3.06Å; L25-R28 PolarHBondContact O-N 2.92Å; Y26-R28 PolarHBondContact O-N 2.9Å; R28-L30 PolarHBondContact O-N 3.44Å; R28-Q31 WeakPolarHBondContact O-CB 3.48Å; R28-Q31 PolarHBondContact O-N 3.37Å; R28-Q31 VanDerWaalsContact O-N 3.14Å; R28-T32 PolarHBondContact O-N 3.25Å; R28-T32 PolarHBondContact O-OG1 3.49Å; R28-L76 HydrophobicContact CB-CD2 3.67Å; R28-E80 IonicContact NH2-OE1 2.88Å; R28-E80 PolarHBondContact NH2-OE1 3.48Å; R28-E80 IonicContact NH2-OE2 3.08Å |
| 29 | I | 97.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 74 Ų | 74 | 8% | 0.077 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.6 | -49.5 | 175.5 | -70.9 | 167.4 | 0 | 0 | 0 | 110.8 | L25 Y26 Q31 T32 I33 A49 F53 L76 | L25-I29 HydrophobicContact CD1-CD1 3.88Å; L25-I29 HydrophobicContact CD1-CG1 4.17Å; L25-I29 HydrophobicContact CG-CD1 3.9Å; L25-I29 WeakPolarHBondContact O-CG1 3.33Å; L25-I29 PolarHBondContact O-N 2.99Å; Y26-I29 PolarHBondContact O-N 3.36Å; I29-Q31 VanDerWaalsContact C-N 3.29Å; I29-Q31 PolarHBondContact O-N 3.38Å; I29-T32 PolarHBondContact O-N 3.48Å; I29-I33 HydrophobicContact CG2-CD1 3.59Å; I29-I33 HydrophobicContact CG2-CG1 4.36Å; I29-I33 VanDerWaalsContact O-CG1 3.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.21Å; I29-I33 PolarHBondContact O-N 3.4Å; I29-A49 HydrophobicContact CG2-CB 3.94Å; I29-F53 HydrophobicContact CD1-CE2 3.89Å; I29-F53 HydrophobicContact CD1-CZ 3.96Å; I29-L76 HydrophobicContact CG1-CB 4.32Å; I29-L76 HydrophobicContact CG1-CD1 4.06Å; I29-L76 HydrophobicContact CG1-CD2 4.43Å |
| 30 | L | 97.4 | Very high | 96.2 | Very high | 29 Ų | 29 | 71.3 Ų | 71.3 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 178.4 | -69.5 | -171 | 0 | 0 | 0 | 113.3 | Y26 R27 R28 I33 R34 K46 | Y26-L30 HydrophobicContact CD1-CD1 4.17Å; Y26-L30 HydrophobicContact CE1-CD1 3.47Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.47Å; Y26-L30 HydrophobicContact CE1-CG 4.27Å; Y26-L30 HydrophobicContact CE2-CD1 4.18Å; Y26-L30 HydrophobicContact CE2-CD2 4.5Å; Y26-L30 HydrophobicContact CE2-CG 4.26Å; Y26-L30 VanDerWaalsContact CZ-CD1 3.49Å; Y26-L30 WeakPolarHBondContact O-CG 3.46Å; Y26-L30 PolarHBondContact O-N 2.92Å; R27-L30 PolarHBondContact O-N 3.36Å; R28-L30 PolarHBondContact O-N 3.44Å; L30-I33 HydrophobicContact CD2-CD1 4.45Å; L30-R34 WeakPolarHBondContact O-CG 3.28Å; L30-R34 PolarHBondContact O-N 3.04Å; L30-K46 HydrophobicContact CD2-CG 4.18Å |
| 31 | Q | 97.4 | Very high | 96.2 | Very high | 110 Ų | 110 | 71.1 Ų | 71.1 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 175.3 | -75.6 | 171 | -22.7 | 0 | 0 | 111.7 | R27 R28 I29 R34 | R27-Q31 WeakPolarHBondContact O-CB 3.36Å; R27-Q31 VanDerWaalsContact O-CG 3.28Å; R27-Q31 WeakPolarHBondContact O-CG 3.29Å; R27-Q31 PolarHBondContact O-N 2.87Å; R28-Q31 WeakPolarHBondContact O-CB 3.48Å; R28-Q31 PolarHBondContact O-N 3.37Å; R28-Q31 VanDerWaalsContact O-N 3.14Å; I29-Q31 VanDerWaalsContact C-N 3.29Å; I29-Q31 PolarHBondContact O-N 3.38Å; Q31-R34 WeakPolarHBondContact O-CB 3.33Å; Q31-R34 PolarHBondContact O-N 3.25Å |
| 32 | T | 96.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.043 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 177.3 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | R28 I29 R34 Q35 L76 L79 E80 L83 | R28-T32 PolarHBondContact O-N 3.25Å; R28-T32 PolarHBondContact O-OG1 3.49Å; I29-T32 PolarHBondContact O-N 3.48Å; T32-R34 PolarHBondContact O-N 2.89Å; T32-Q35 WeakPolarHBondContact O-CB 3.48Å; T32-Q35 PolarHBondContact O-N 2.94Å; T32-L76 HydrophobicContact CG2-CD1 4.14Å; T32-L76 WeakPolarHBondContact OG1-CD1 3.26Å; T32-L79 HydrophobicContact CG2-CB 4.45Å; T32-L79 HydrophobicContact CG2-CD2 3.68Å; T32-L79 HydrophobicContact CG2-CG 3.76Å; T32-E80 HydrophobicContact CG2-CG 3.8Å; T32-L83 HydrophobicContact CG2-CD1 3.54Å |
| 33 | I | 96.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.4 | -36.3 | 175.7 | -69.9 | 164.9 | 0 | 0 | 0 | 111.4 | I29 L30 Q35 V36 R42 L45 K46 A49 L79 | I29-I33 HydrophobicContact CG2-CD1 3.59Å; I29-I33 HydrophobicContact CG2-CG1 4.36Å; I29-I33 VanDerWaalsContact O-CG1 3.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.21Å; I29-I33 PolarHBondContact O-N 3.4Å; L30-I33 HydrophobicContact CD2-CD1 4.45Å; I33-Q35 PolarHBondContact O-N 3.35Å; I33-Q35 VanDerWaalsContact O-N 3.08Å; I33-V36 VanDerWaalsContact O-CB 3.26Å; I33-V36 WeakPolarHBondContact O-CB 3.29Å; I33-V36 WeakPolarHBondContact O-CG2 3.45Å; I33-V36 PolarHBondContact O-N 3.14Å; I33-R42 HydrophobicContact CG2-CG 3.85Å; I33-R42 WeakPolarHBondContact CG2-O 3.45Å; I33-R42 WeakPolarHBondContact O-CG 3.47Å; I33-L45 HydrophobicContact CD1-CB 3.96Å; I33-L45 HydrophobicContact CG1-CB 3.96Å; I33-L45 HydrophobicContact CG2-CB 3.94Å; I33-K46 HydrophobicContact CG2-CB 4.26Å; I33-A49 HydrophobicContact CD1-CB 4.06Å; I33-L79 HydrophobicContact CG1-CD2 4.15Å |
| 34 | R | 95.4 | Very high | 96.2 | Very high | 181 Ų | 181 | 80 Ų | 80 | 68% | 0.683 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.2 | 176.8 | -70.9 | 169.3 | -175.8 | -177.8 | -1.4 | 113.8 | L30 Q31 T32 V36 | L30-R34 WeakPolarHBondContact O-CG 3.28Å; L30-R34 PolarHBondContact O-N 3.04Å; Q31-R34 WeakPolarHBondContact O-CB 3.33Å; Q31-R34 PolarHBondContact O-N 3.25Å; T32-R34 PolarHBondContact O-N 2.89Å; R34-V36 VanDerWaalsContact C-N 3.32Å |
| 35 | Q | 94.9 | Very high | 96.1 | Very high | 99 Ų | 99 | 77.2 Ų | 77.2 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.7 | 178.7 | -51.8 | -175.1 | 20.6 | 0 | 0 | 113.3 | T32 I33 P37 L83 | T32-Q35 WeakPolarHBondContact O-CB 3.48Å; T32-Q35 PolarHBondContact O-N 2.94Å; I33-Q35 PolarHBondContact O-N 3.35Å; I33-Q35 VanDerWaalsContact O-N 3.08Å; Q35-P37 WeakPolarHBondContact O-CD 3.47Å; Q35-L83 HydrophobicContact CB-CD1 4.28Å |
| 36 | V | 94.5 | Very high | 96.1 | Very high | 11 Ų | 11 | 80.8 Ų | 80.8 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | trans | -65.3 | 123.4 | 175 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | I33 R34 D41 R42 L45 L83 | I33-V36 VanDerWaalsContact O-CB 3.26Å; I33-V36 WeakPolarHBondContact O-CB 3.29Å; I33-V36 WeakPolarHBondContact O-CG2 3.45Å; I33-V36 PolarHBondContact O-N 3.14Å; R34-V36 VanDerWaalsContact C-N 3.32Å; V36-D41 HydrophobicContact CG1-CB 3.92Å; V36-R42 HydrophobicContact CB-CB 4.28Å; V36-R42 HydrophobicContact CG1-CB 4.47Å; V36-R42 PolarHBondContact O-NE 3.48Å; V36-R42 VanDerWaalsContact O-NE 3.11Å; V36-R42 PolarHBondContact O-NH2 3.33Å; V36-L45 HydrophobicContact CG2-CD1 3.89Å; V36-L83 HydrophobicContact CB-CD2 4.45Å; V36-L83 HydrophobicContact CG2-CD1 4.4Å; V36-L83 HydrophobicContact CG2-CD2 3.94Å | ||
| 37 | P | 91.2 | Very high | 96.1 | Very high | 96 Ų | 96 | 80.7 Ų | 80.7 | 62% | 0.623 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -64.9 | -43 | -176 | -24.1 | 34.2 | 0 | 0 | 0 | 113.7 | Q35 D39 R42 | Q35-P37 WeakPolarHBondContact O-CD 3.47Å; P37-D39 PolarHBondContact O-N 3.35Å; P37-R42 PolarHBondContact O-NH2 2.95Å |
| 38 | N | 94 | Very high | 96 | Very high | 75 Ų | 75 | 78.4 Ų | 78.4 | 40% | 0.401 | 37% | 0.37 | S | S | . | . | trans | -75 | 124.1 | -178.7 | -177.1 | -46.4 | 0 | 0 | 0 | 111.2 | S40 D41 R42 | N38-S40 WeakPolarHBondContact OD1-CA 3.49Å; N38-S40 VanDerWaalsContact OD1-CB 3.29Å; N38-S40 WeakPolarHBondContact OD1-CB 3.47Å; N38-S40 PolarHBondContact OD1-N 3.48Å; N38-D41 HydrophobicContact CB-CB 4.05Å; N38-D41 VanDerWaalsContact CB-OD2 3.3Å; N38-D41 WeakPolarHBondContact CB-OD2 3.28Å; N38-D41 PolarHBondContact O-N 2.94Å; N38-D41 PolarHBondContact OD1-N 3.15Å; N38-D41 VanDerWaalsContact OD1-N 3.1Å; N38-R42 VanDerWaalsContact O-CB 3.32Å; N38-R42 WeakPolarHBondContact O-CB 3.4Å; N38-R42 PolarHBondContact O-N 3.3Å | ||
| 39 | D | 94.6 | Very high | 95.9 | Very high | 105 Ų | 105 | 74 Ų | 74 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.7 | -36.8 | -177.5 | -74.7 | -15.1 | 0 | 0 | 0 | 113.3 | P37 R42 K43 | P37-D39 PolarHBondContact O-N 3.35Å; D39-R42 PolarHBondContact O-N 3.42Å; D39-R42 IonicContact OD1-CZ 2.63Å; D39-R42 IonicContact OD1-NH1 3.24Å; D39-R42 PolarHBondContact OD1-NH1 3.24Å; D39-R42 IonicContact OD1-NH2 3.98Å; D39-R42 PolarHBondContact OD1-NH2 3.23Å; D39-K43 WeakPolarHBondContact O-CB 3.49Å; D39-K43 PolarHBondContact O-N 3.37Å |
| 40 | S | 95.4 | Very high | 95.9 | Very high | 90 Ų | 90 | 78.4 Ų | 78.4 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.8 | -46 | 176.4 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | N38 K43 Y44 | N38-S40 WeakPolarHBondContact OD1-CA 3.49Å; N38-S40 VanDerWaalsContact OD1-CB 3.29Å; N38-S40 WeakPolarHBondContact OD1-CB 3.47Å; N38-S40 PolarHBondContact OD1-N 3.48Å; S40-K43 PolarHBondContact O-N 3.47Å; S40-Y44 WeakPolarHBondContact O-CB 3.27Å; S40-Y44 PolarHBondContact O-N 3.25Å |
| 41 | D | 94.2 | Very high | 95.9 | Very high | 81 Ų | 81 | 81.1 Ų | 81.1 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 177.4 | -63.8 | -24.5 | 0 | 0 | 0 | 111.1 | V36 N38 K43 Y44 L45 | V36-D41 HydrophobicContact CG1-CB 3.92Å; N38-D41 HydrophobicContact CB-CB 4.05Å; N38-D41 VanDerWaalsContact CB-OD2 3.3Å; N38-D41 WeakPolarHBondContact CB-OD2 3.28Å; N38-D41 PolarHBondContact O-N 2.94Å; N38-D41 PolarHBondContact OD1-N 3.15Å; N38-D41 VanDerWaalsContact OD1-N 3.1Å; D41-K43 VanDerWaalsContact C-N 3.32Å; D41-K43 PolarHBondContact O-N 3.42Å; D41-Y44 PolarHBondContact O-N 3.44Å; D41-L45 WeakPolarHBondContact O-CB 3.19Å; D41-L45 VanDerWaalsContact O-CG 3.31Å; D41-L45 WeakPolarHBondContact O-CG 3.38Å; D41-L45 PolarHBondContact O-N 2.92Å |
| 42 | R | 96.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 79 Ų | 79 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 175.1 | -172 | -174.3 | -52.2 | 132.1 | 13.1 | 111.3 | I33 V36 P37 N38 D39 K46 | I33-R42 HydrophobicContact CG2-CG 3.85Å; I33-R42 WeakPolarHBondContact CG2-O 3.45Å; I33-R42 WeakPolarHBondContact O-CG 3.47Å; V36-R42 HydrophobicContact CB-CB 4.28Å; V36-R42 HydrophobicContact CG1-CB 4.47Å; V36-R42 PolarHBondContact O-NE 3.48Å; V36-R42 VanDerWaalsContact O-NE 3.11Å; V36-R42 PolarHBondContact O-NH2 3.33Å; P37-R42 PolarHBondContact O-NH2 2.95Å; N38-R42 VanDerWaalsContact O-CB 3.32Å; N38-R42 WeakPolarHBondContact O-CB 3.4Å; N38-R42 PolarHBondContact O-N 3.3Å; D39-R42 PolarHBondContact O-N 3.42Å; D39-R42 IonicContact OD1-CZ 2.63Å; D39-R42 IonicContact OD1-NH1 3.24Å; D39-R42 PolarHBondContact OD1-NH1 3.24Å; D39-R42 IonicContact OD1-NH2 3.98Å; D39-R42 PolarHBondContact OD1-NH2 3.23Å; R42-K46 VanDerWaalsContact O-CB 3.24Å; R42-K46 WeakPolarHBondContact O-CB 3.47Å; R42-K46 PolarHBondContact O-N 3.29Å |
| 43 | K | 97.4 | Very high | 95.7 | Very high | 132 Ų | 132 | 81.2 Ų | 81.2 | 57% | 0.574 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.7 | -48.6 | 177.7 | -174.9 | -174.7 | 177.5 | -59.4 | 0 | 110.7 | D39 S40 D41 L45 K46 D47 | D39-K43 WeakPolarHBondContact O-CB 3.49Å; D39-K43 PolarHBondContact O-N 3.37Å; S40-K43 PolarHBondContact O-N 3.47Å; D41-K43 VanDerWaalsContact C-N 3.32Å; D41-K43 PolarHBondContact O-N 3.42Å; K43-L45 PolarHBondContact O-N 3.09Å; K43-K46 PolarHBondContact O-N 3.18Å; K43-D47 IonicContact NZ-OD2 3.11Å; K43-D47 PolarHBondContact NZ-OD2 2.89Å; K43-D47 PolarHBondContact O-N 3.36Å |
| 44 | Y | 96.9 | Very high | 95.6 | Very high | 154 Ų | 154 | 87.5 Ų | 87.5 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -56.4 | -52.4 | 178.7 | 171.7 | -100.6 | 0 | 0 | 0 | 111.9 | S40 D41 K46 D47 W48 | S40-Y44 WeakPolarHBondContact O-CB 3.27Å; S40-Y44 PolarHBondContact O-N 3.25Å; D41-Y44 PolarHBondContact O-N 3.44Å; Y44-K46 VanDerWaalsContact C-N 3.31Å; Y44-K46 PolarHBondContact O-N 2.98Å; Y44-D47 PolarHBondContact O-N 3.3Å; Y44-W48 WeakPolarHBondContact O-CB 3.41Å; Y44-W48 PolarHBondContact O-N 3.12Å |
| 45 | L | 96.1 | Very high | 95.6 | Very high | 44 Ų | 44 | 85.2 Ų | 85.2 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -38.3 | -179.5 | -71 | 170.3 | 0 | 0 | 0 | 112.3 | I33 V36 D41 K43 A49 | I33-L45 HydrophobicContact CD1-CB 3.96Å; I33-L45 HydrophobicContact CG1-CB 3.96Å; I33-L45 HydrophobicContact CG2-CB 3.94Å; V36-L45 HydrophobicContact CG2-CD1 3.89Å; D41-L45 WeakPolarHBondContact O-CB 3.19Å; D41-L45 VanDerWaalsContact O-CG 3.31Å; D41-L45 WeakPolarHBondContact O-CG 3.38Å; D41-L45 PolarHBondContact O-N 2.92Å; K43-L45 PolarHBondContact O-N 3.09Å; L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.29Å; L45-A49 PolarHBondContact O-N 2.99Å |
| 46 | K | 97.3 | Very high | 95.5 | Very high | 85 Ų | 85 | 83.2 Ų | 83.2 | 37% | 0.37 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 176.9 | 177.3 | -177.7 | 174.3 | -171.2 | 0 | 111.8 | L30 I33 R42 K43 Y44 R50 | L30-K46 HydrophobicContact CD2-CG 4.18Å; I33-K46 HydrophobicContact CG2-CB 4.26Å; R42-K46 VanDerWaalsContact O-CB 3.24Å; R42-K46 WeakPolarHBondContact O-CB 3.47Å; R42-K46 PolarHBondContact O-N 3.29Å; K43-K46 PolarHBondContact O-N 3.18Å; Y44-K46 VanDerWaalsContact C-N 3.31Å; Y44-K46 PolarHBondContact O-N 2.98Å; K46-R50 VanDerWaalsContact CE-CZ 3.43Å; K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.43Å; K46-R50 PolarHBondContact O-N 3.35Å |
| 47 | D | 97.6 | Very high | 95.3 | Very high | 58 Ų | 58 | 91.3 Ų | 91.3 | 31% | 0.31 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 179.6 | -68.9 | -19.8 | 0 | 0 | 0 | 110.3 | K43 Y44 A49 R50 E51 | K43-D47 IonicContact NZ-OD2 3.11Å; K43-D47 PolarHBondContact NZ-OD2 2.89Å; K43-D47 PolarHBondContact O-N 3.36Å; Y44-D47 PolarHBondContact O-N 3.3Å; D47-A49 PolarHBondContact O-N 2.98Å; D47-R50 WeakPolarHBondContact O-CB 3.49Å; D47-R50 PolarHBondContact O-N 2.93Å; D47-E51 PolarHBondContact O-N 3.48Å |
| 48 | W | 95.9 | Very high | 95.2 | Very high | 100 Ų | 100 | 91.7 Ų | 91.7 | 38% | 0.379 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.6 | -50.5 | 172.8 | 174.6 | 85.2 | 0 | 0 | 0 | 112.2 | Y44 R50 E51 E52 | Y44-W48 WeakPolarHBondContact O-CB 3.41Å; Y44-W48 PolarHBondContact O-N 3.12Å; W48-R50 VanDerWaalsContact C-N 3.3Å; W48-R50 PolarHBondContact O-N 3.25Å; W48-E51 PolarHBondContact O-N 2.93Å; W48-E52 WeakPolarHBondContact O-CB 3.32Å; W48-E52 PolarHBondContact O-N 3.4Å |
| 49 | A | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 89.9 Ų | 89.9 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | I29 I33 L45 D47 F53 | I29-A49 HydrophobicContact CG2-CB 3.94Å; I33-A49 HydrophobicContact CD1-CB 4.06Å; L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.29Å; L45-A49 PolarHBondContact O-N 2.99Å; D47-A49 PolarHBondContact O-N 2.98Å; A49-F53 WeakPolarHBondContact O-CD2 3.34Å; A49-F53 PolarHBondContact O-N 2.97Å |
| 50 | R | 96.8 | Very high | 94.7 | Very high | 109 Ų | 109 | 90.1 Ų | 90.1 | 41% | 0.411 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 175 | -80 | 168 | 168.2 | -162.6 | -8.8 | 111.9 | Y26 K46 D47 W48 E52 F53 K54 | Y26-R50 WeakPolarHBondContact OH-CG 3.48Å; K46-R50 VanDerWaalsContact CE-CZ 3.43Å; K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.43Å; K46-R50 PolarHBondContact O-N 3.35Å; D47-R50 WeakPolarHBondContact O-CB 3.49Å; D47-R50 PolarHBondContact O-N 2.93Å; W48-R50 VanDerWaalsContact C-N 3.3Å; W48-R50 PolarHBondContact O-N 3.25Å; R50-E52 VanDerWaalsContact C-N 3.34Å; R50-F53 PolarHBondContact O-N 3.34Å; R50-K54 WeakPolarHBondContact O-CB 3.14Å; R50-K54 PolarHBondContact O-N 2.99Å |
| 51 | E | 97.1 | Very high | 94.6 | Very high | 85 Ų | 85 | 91.8 Ų | 91.8 | 40% | 0.397 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67 | -37 | -179.4 | -70.7 | -56.8 | 136.4 | 0 | 0 | 111.8 | D47 W48 F53 K54 R55 | D47-E51 PolarHBondContact O-N 3.48Å; W48-E51 PolarHBondContact O-N 2.93Å; E51-F53 PolarHBondContact O-N 3.35Å; E51-K54 PolarHBondContact O-N 3.27Å; E51-K54 IonicContact OE1-NZ 3.45Å; E51-R55 WeakPolarHBondContact O-CB 3.3Å; E51-R55 WeakPolarHBondContact O-CG 3.42Å; E51-R55 PolarHBondContact O-N 3.08Å |
| 52 | E | 95.2 | Very high | 94.4 | Very high | 66 Ų | 66 | 91.1 Ų | 91.1 | 31% | 0.308 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 177 | -169.4 | 60.5 | -157.6 | 0 | 0 | 112.4 | W48 R50 K54 R55 N56 | W48-E52 WeakPolarHBondContact O-CB 3.32Å; W48-E52 PolarHBondContact O-N 3.4Å; R50-E52 VanDerWaalsContact C-N 3.34Å; E52-K54 VanDerWaalsContact C-N 3.32Å; E52-K54 PolarHBondContact O-N 3.46Å; E52-R55 PolarHBondContact O-N 3.06Å; E52-R55 IonicContact OE2-CZ 2.99Å; E52-R55 VanDerWaalsContact OE2-CZ 3.3Å; E52-R55 IonicContact OE2-NE 2.65Å; E52-R55 PolarHBondContact OE2-NE 3.28Å; E52-R55 VanDerWaalsContact OE2-NE 3.16Å; E52-R55 IonicContact OE2-NH2 2.76Å; E52-R55 PolarHBondContact OE2-NH2 3.16Å; E52-N56 PolarHBondContact O-N 3.24Å; E52-N56 PolarHBondContact O-ND2 3.47Å; E52-N56 PolarHBondContact OE1-ND2 2.87Å |
| 53 | F | 95.9 | Very high | 94.2 | Very high | 54 Ų | 54 | 93 Ų | 93 | 24% | 0.237 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -70.5 | -30.2 | 176.8 | -80.8 | -106.2 | 0 | 0 | 0 | 112.4 | V22 L25 Y26 I29 A49 R50 E51 K57 | V22-F53 HydrophobicContact CG1-CD1 3.92Å; V22-F53 HydrophobicContact CG1-CE1 3.79Å; L25-F53 HydrophobicContact CD2-CZ 4.39Å; L25-F53 HydrophobicContact CG-CZ 4.2Å; Y26-F53 HydrophobicContact CD2-CB 4.2Å; Y26-F53 AromaticContact CD2-CD1 3.81Å; Y26-F53 HydrophobicContact CD2-CD1 3.81Å; Y26-F53 AromaticContact CD2-CD2 3.74Å; Y26-F53 HydrophobicContact CD2-CD2 3.74Å; Y26-F53 HydrophobicContact CD2-CE1 4.06Å; Y26-F53 AromaticContact CD2-CE2 3.97Å; Y26-F53 HydrophobicContact CD2-CE2 3.97Å; Y26-F53 AromaticContact CD2-CG 3.63Å; Y26-F53 HydrophobicContact CD2-CG 3.63Å; Y26-F53 HydrophobicContact CD2-CZ 4.12Å; Y26-F53 HydrophobicContact CE2-CB 4.37Å; Y26-F53 HydrophobicContact CE2-CD2 4.32Å; Y26-F53 HydrophobicContact CE2-CG 4.24Å; Y26-F53 HydrophobicContact CG-CD1 4.23Å; Y26-F53 HydrophobicContact CG-CE1 4.28Å; Y26-F53 HydrophobicContact CG-CG 4.48Å; I29-F53 HydrophobicContact CD1-CE2 3.89Å; I29-F53 HydrophobicContact CD1-CZ 3.96Å; A49-F53 WeakPolarHBondContact O-CD2 3.34Å; A49-F53 PolarHBondContact O-N 2.97Å; R50-F53 PolarHBondContact O-N 3.34Å; E51-F53 PolarHBondContact O-N 3.35Å; F53-K57 PolarHBondContact O-N 2.99Å |
| 54 | K | 95.5 | Very high | 94.1 | Very high | 136 Ų | 136 | 89.4 Ų | 89.4 | 59% | 0.591 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.9 | -43.4 | 175.8 | -171.6 | -173.6 | -179.5 | -167.7 | 0 | 111.5 | R50 E51 E52 N56 K57 | R50-K54 WeakPolarHBondContact O-CB 3.14Å; R50-K54 PolarHBondContact O-N 2.99Å; E51-K54 PolarHBondContact O-N 3.27Å; E51-K54 IonicContact OE1-NZ 3.45Å; E52-K54 VanDerWaalsContact C-N 3.32Å; E52-K54 PolarHBondContact O-N 3.46Å; K54-N56 VanDerWaalsContact C-N 3.26Å; K54-N56 PolarHBondContact O-N 2.99Å; K54-K57 VanDerWaalsContact O-CB 3.27Å; K54-K57 WeakPolarHBondContact O-CB 3.5Å; K54-K57 PolarHBondContact O-N 3.26Å |
| 55 | R | 94.4 | Very high | 94 | Very high | 134 Ų | 134 | 83.5 Ų | 83.5 | 51% | 0.506 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.9 | -41.4 | 174.9 | -79.6 | -172 | -74.5 | -91.9 | 6.3 | 111.8 | E51 E52 | E51-R55 WeakPolarHBondContact O-CB 3.3Å; E51-R55 WeakPolarHBondContact O-CG 3.42Å; E51-R55 PolarHBondContact O-N 3.08Å; E52-R55 PolarHBondContact O-N 3.06Å; E52-R55 IonicContact OE2-CZ 2.99Å; E52-R55 VanDerWaalsContact OE2-CZ 3.3Å; E52-R55 IonicContact OE2-NE 2.65Å; E52-R55 PolarHBondContact OE2-NE 3.28Å; E52-R55 VanDerWaalsContact OE2-NE 3.16Å; E52-R55 IonicContact OE2-NH2 2.76Å; E52-R55 PolarHBondContact OE2-NH2 3.16Å |
| 56 | N | 92.5 | Very high | 93.9 | Very high | 56 Ų | 56 | 87.3 Ų | 87.3 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 6.2 | -176.5 | -64.7 | -57.8 | 0 | 0 | 0 | 114.3 | E52 K54 S58 A59 M68 | E52-N56 PolarHBondContact O-N 3.24Å; E52-N56 PolarHBondContact O-ND2 3.47Å; E52-N56 PolarHBondContact OE1-ND2 2.87Å; K54-N56 VanDerWaalsContact C-N 3.26Å; K54-N56 PolarHBondContact O-N 2.99Å; N56-S58 PolarHBondContact O-N 3.25Å; N56-S58 VanDerWaalsContact O-N 3.16Å; N56-A59 VanDerWaalsContact O-CB 3.3Å; N56-A59 WeakPolarHBondContact O-CB 3.3Å; N56-A59 PolarHBondContact O-N 2.93Å; N56-M68 HydrophobicContact CB-CE 4.39Å; N56-M68 HydrophobicContact CB-SD 4.14Å; N56-M68 WeakPolarHBondContact OD1-CE 3.46Å |
| 57 | K | 90.3 | Very high | 93.9 | Very high | 182 Ų | 182 | 87.8 Ų | 87.8 | 79% | 0.791 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.1 | -174.7 | -176.4 | -176.7 | 174.8 | -171.4 | 0 | 113.6 | F53 K54 | F53-K57 PolarHBondContact O-N 2.99Å; K54-K57 VanDerWaalsContact O-CB 3.27Å; K54-K57 WeakPolarHBondContact O-CB 3.5Å; K54-K57 PolarHBondContact O-N 3.26Å |
| 58 | S | 89.9 | Confident | 93.8 | Very high | 103 Ų | 103 | 87.7 Ų | 87.7 | 72% | 0.72 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 6.2 | -179.4 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | N56 T60 | N56-S58 PolarHBondContact O-N 3.25Å; N56-S58 VanDerWaalsContact O-N 3.16Å; S58-T60 PolarHBondContact O-N 3.38Å |
| 59 | A | 90.6 | Very high | 93.8 | Very high | 38 Ų | 38 | 83.8 Ų | 83.8 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | trans | -63.4 | 123.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N56 I65 | N56-A59 VanDerWaalsContact O-CB 3.3Å; N56-A59 WeakPolarHBondContact O-CB 3.3Å; N56-A59 PolarHBondContact O-N 2.93Å; A59-I65 HydrophobicContact CB-CG1 4.19Å | ||
| 60 | T | 87.4 | Confident | 93.9 | Very high | 110 Ų | 110 | 87.8 Ų | 87.8 | 68% | 0.675 | 43% | 0.432 | S | S | * | . | trans | -108.5 | -27.7 | -179.5 | 50 | 0 | 0 | 0 | 0 | 112.9 | S58 E62 | S58-T60 PolarHBondContact O-N 3.38Å; T60-E62 PolarHBondContact O-N 3.47Å | ||
| 61 | E | 92.2 | Very high | 93.9 | Very high | 124 Ų | 124 | 87 Ų | 87 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | trans | -70.8 | 119.7 | -175.5 | -60.2 | -46.6 | 113.9 | 0 | 0 | 111.4 | D63 T64 I65 | E61-D63 PolarHBondContact O-N 3.05Å; E61-T64 WeakPolarHBondContact O-CB 3.3Å; E61-T64 PolarHBondContact O-N 3.12Å; E61-I65 WeakPolarHBondContact O-CG1 3.31Å; E61-I65 PolarHBondContact O-N 3.26Å | ||
| 62 | E | 90.2 | Very high | 93.9 | Very high | 67 Ų | 67 | 83.4 Ų | 83.4 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | -172.9 | -178 | 173.9 | -179.6 | 0 | 0 | 112 | R18 T60 T64 I65 R66 | R18-E62 IonicContact CZ-OE1 3.88Å; R18-E62 IonicContact NE-OE1 3.3Å; R18-E62 PolarHBondContact NE-OE1 3.5Å; R18-E62 VanDerWaalsContact NE-OE1 3.08Å; R18-E62 IonicContact NH2-OE1 3.79Å; R18-E62 PolarHBondContact NH2-OE1 3.13Å; T60-E62 PolarHBondContact O-N 3.47Å; E62-T64 VanDerWaalsContact C-N 3.33Å; E62-T64 PolarHBondContact O-N 3.39Å; E62-I65 PolarHBondContact O-N 2.92Å; E62-R66 HydrophobicContact CG-CG 4.37Å; E62-R66 WeakPolarHBondContact O-CG 3.48Å; E62-R66 PolarHBondContact O-N 3.05Å |
| 63 | D | 93.3 | Very high | 94 | Very high | 117 Ų | 117 | 83.3 Ų | 83.3 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.9 | -36.8 | -178.1 | -70.9 | -31.3 | 0 | 0 | 0 | 111.9 | E61 R66 M67 | E61-D63 PolarHBondContact O-N 3.05Å; D63-R66 PolarHBondContact O-N 3.43Å; D63-R66 IonicContact OD1-NH1 3.16Å; D63-M67 WeakPolarHBondContact O-CB 3.46Å; D63-M67 PolarHBondContact O-N 2.9Å |
| 64 | T | 93.9 | Very high | 94.1 | Very high | 55 Ų | 55 | 86 Ų | 86 | 34% | 0.337 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 171.8 | -53.4 | 0 | 0 | 0 | 0 | 111 | E61 E62 R66 M67 M68 | E61-T64 WeakPolarHBondContact O-CB 3.3Å; E61-T64 PolarHBondContact O-N 3.12Å; E62-T64 VanDerWaalsContact C-N 3.33Å; E62-T64 PolarHBondContact O-N 3.39Å; T64-R66 VanDerWaalsContact C-N 3.33Å; T64-R66 PolarHBondContact O-N 3.47Å; T64-M67 PolarHBondContact O-N 2.99Å; T64-M68 HydrophobicContact CG2-CE 3.67Å; T64-M68 HydrophobicContact CG2-SD 4.1Å; T64-M68 WeakPolarHBondContact O-CB 3.38Å; T64-M68 VanDerWaalsContact O-CG 3.3Å; T64-M68 WeakPolarHBondContact O-CG 3.45Å; T64-M68 PolarHBondContact O-N 3Å |
| 65 | I | 94.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 84.3 Ų | 84.3 | 15% | 0.154 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 178.2 | -65.6 | 164.6 | 0 | 0 | 0 | 110.8 | R18 V22 A59 E61 E62 M68 I69 | R18-I65 HydrophobicContact CB-CG2 4.2Å; V22-I65 HydrophobicContact CG2-CG2 4.05Å; A59-I65 HydrophobicContact CB-CG1 4.19Å; E61-I65 WeakPolarHBondContact O-CG1 3.31Å; E61-I65 PolarHBondContact O-N 3.26Å; E62-I65 PolarHBondContact O-N 2.92Å; I65-M68 PolarHBondContact O-N 3.37Å; I65-I69 HydrophobicContact CG2-CD1 3.81Å; I65-I69 HydrophobicContact CG2-CG1 4.44Å; I65-I69 WeakPolarHBondContact O-CD1 3.49Å; I65-I69 VanDerWaalsContact O-CG1 3.25Å; I65-I69 WeakPolarHBondContact O-CG1 3.39Å; I65-I69 PolarHBondContact O-N 3.39Å |
| 66 | R | 95.1 | Very high | 94.2 | Very high | 124 Ų | 124 | 78.1 Ų | 78.1 | 47% | 0.468 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.6 | -74.9 | 175.4 | 65.6 | -174.6 | -2.5 | 111.7 | R18 E62 D63 T64 I69 T70 | R18-R66 VanDerWaalsContact CZ-CG 3.5Å; E62-R66 HydrophobicContact CG-CG 4.37Å; E62-R66 WeakPolarHBondContact O-CG 3.48Å; E62-R66 PolarHBondContact O-N 3.05Å; D63-R66 PolarHBondContact O-N 3.43Å; D63-R66 IonicContact OD1-NH1 3.16Å; T64-R66 VanDerWaalsContact C-N 3.33Å; T64-R66 PolarHBondContact O-N 3.47Å; R66-I69 PolarHBondContact O-N 2.97Å; R66-T70 PolarHBondContact O-N 3.03Å; R66-T70 PolarHBondContact O-OG1 3.15Å; R66-T70 VanDerWaalsContact O-OG1 3.1Å |
| 67 | M | 96.5 | Very high | 94.4 | Very high | 95 Ų | 95 | 81.5 Ų | 81.5 | 47% | 0.468 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 177.5 | -179 | -172.6 | 70.3 | 0 | 0 | 110.8 | D63 T64 I69 T70 Q71 | D63-M67 WeakPolarHBondContact O-CB 3.46Å; D63-M67 PolarHBondContact O-N 2.9Å; T64-M67 PolarHBondContact O-N 2.99Å; M67-I69 VanDerWaalsContact C-N 3.35Å; M67-I69 PolarHBondContact O-N 3.01Å; M67-T70 WeakPolarHBondContact O-CB 3.46Å; M67-T70 PolarHBondContact O-N 3.22Å; M67-T70 VanDerWaalsContact O-N 3.16Å; M67-Q71 HydrophobicContact CG-CG 4.47Å; M67-Q71 WeakPolarHBondContact O-CG 3.48Å; M67-Q71 PolarHBondContact O-N 3.18Å |
| 68 | M | 96.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 78.3 Ų | 78.3 | 28% | 0.281 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 177.4 | -72.3 | 174.2 | 171.8 | 0 | 0 | 112.3 | N56 T64 I65 Q71 G72 | N56-M68 HydrophobicContact CB-CE 4.39Å; N56-M68 HydrophobicContact CB-SD 4.14Å; N56-M68 WeakPolarHBondContact OD1-CE 3.46Å; T64-M68 HydrophobicContact CG2-CE 3.67Å; T64-M68 HydrophobicContact CG2-SD 4.1Å; T64-M68 WeakPolarHBondContact O-CB 3.38Å; T64-M68 VanDerWaalsContact O-CG 3.3Å; T64-M68 WeakPolarHBondContact O-CG 3.45Å; T64-M68 PolarHBondContact O-N 3Å; I65-M68 PolarHBondContact O-N 3.37Å; M68-Q71 PolarHBondContact O-N 3.02Å; M68-G72 PolarHBondContact O-N 3.42Å |
| 69 | I | 96.4 | Very high | 94.9 | Very high | 18 Ų | 18 | 75.4 Ų | 75.4 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 174.7 | -70.2 | 162.9 | 0 | 0 | 0 | 110.5 | Q21 V22 I65 R66 M67 N73 | Q21-I69 HydrophobicContact CB-CD1 3.84Å; V22-I69 HydrophobicContact CG2-CD1 3.91Å; V22-I69 HydrophobicContact CG2-CG1 3.94Å; I65-I69 HydrophobicContact CG2-CD1 3.81Å; I65-I69 HydrophobicContact CG2-CG1 4.44Å; I65-I69 WeakPolarHBondContact O-CD1 3.49Å; I65-I69 VanDerWaalsContact O-CG1 3.25Å; I65-I69 WeakPolarHBondContact O-CG1 3.39Å; I65-I69 PolarHBondContact O-N 3.39Å; R66-I69 PolarHBondContact O-N 2.97Å; M67-I69 VanDerWaalsContact C-N 3.35Å; M67-I69 PolarHBondContact O-N 3.01Å; I69-N73 WeakPolarHBondContact CG2-ND2 3.39Å; I69-N73 WeakPolarHBondContact O-CB 3.39Å; I69-N73 PolarHBondContact O-N 3.38Å; I69-N73 PolarHBondContact O-ND2 2.94Å |
| 70 | T | 97.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 77 Ų | 77 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -50 | 178.7 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | R66 M67 G72 N73 M74 | R66-T70 PolarHBondContact O-N 3.03Å; R66-T70 PolarHBondContact O-OG1 3.15Å; R66-T70 VanDerWaalsContact O-OG1 3.1Å; M67-T70 WeakPolarHBondContact O-CB 3.46Å; M67-T70 PolarHBondContact O-N 3.22Å; M67-T70 VanDerWaalsContact O-N 3.16Å; T70-G72 PolarHBondContact O-N 2.91Å; T70-N73 PolarHBondContact O-N 3.28Å; T70-M74 HydrophobicContact CG2-SD 4.42Å; T70-M74 WeakPolarHBondContact O-CG 3.25Å; T70-M74 PolarHBondContact O-N 3.43Å |
| 71 | Q | 96.4 | Very high | 95.5 | Very high | 94 Ų | 94 | 77.6 Ų | 77.6 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 178.4 | -72.2 | 173.4 | -9.8 | 0 | 0 | 111.6 | M67 M68 N73 M74 Q75 | M67-Q71 HydrophobicContact CG-CG 4.47Å; M67-Q71 WeakPolarHBondContact O-CG 3.48Å; M67-Q71 PolarHBondContact O-N 3.18Å; M68-Q71 PolarHBondContact O-N 3.02Å; Q71-N73 VanDerWaalsContact C-N 3.32Å; Q71-N73 PolarHBondContact O-N 3.32Å; Q71-M74 WeakPolarHBondContact O-CB 3.41Å; Q71-M74 PolarHBondContact O-N 3.39Å; Q71-M74 VanDerWaalsContact O-N 3.13Å; Q71-Q75 WeakPolarHBondContact O-CG 3.49Å; Q71-Q75 PolarHBondContact O-N 3.42Å |
| 72 | G | 96.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 75.2 Ų | 75.2 | 9% | 0.093 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M68 T70 L76 | M68-G72 PolarHBondContact O-N 3.42Å; T70-G72 PolarHBondContact O-N 2.91Å; G72-L76 VanDerWaalsContact O-CB 3.3Å; G72-L76 WeakPolarHBondContact O-CB 3.35Å; G72-L76 PolarHBondContact O-N 3.27Å |
| 73 | N | 97.8 | Very high | 95.7 | Very high | 63 Ų | 63 | 72.7 Ų | 72.7 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 172.6 | -80.9 | -64.8 | 0 | 0 | 0 | 112.4 | I69 T70 Q71 K77 | I69-N73 WeakPolarHBondContact CG2-ND2 3.39Å; I69-N73 WeakPolarHBondContact O-CB 3.39Å; I69-N73 PolarHBondContact O-N 3.38Å; I69-N73 PolarHBondContact O-ND2 2.94Å; T70-N73 PolarHBondContact O-N 3.28Å; Q71-N73 VanDerWaalsContact C-N 3.32Å; Q71-N73 PolarHBondContact O-N 3.32Å; N73-K77 WeakPolarHBondContact O-CB 3.49Å; N73-K77 PolarHBondContact O-N 3.12Å |
| 74 | M | 97.6 | Very high | 95.7 | Very high | 112 Ų | 112 | 70 Ų | 70 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.8 | -49.5 | 174.6 | -69.1 | 175.2 | 64.8 | 0 | 0 | 110.8 | T70 Q71 L76 K77 E78 | T70-M74 HydrophobicContact CG2-SD 4.42Å; T70-M74 WeakPolarHBondContact O-CG 3.25Å; T70-M74 PolarHBondContact O-N 3.43Å; Q71-M74 WeakPolarHBondContact O-CB 3.41Å; Q71-M74 PolarHBondContact O-N 3.39Å; Q71-M74 VanDerWaalsContact O-N 3.13Å; M74-L76 VanDerWaalsContact C-N 3.32Å; M74-L76 PolarHBondContact O-N 3.16Å; M74-K77 WeakPolarHBondContact O-CB 3.48Å; M74-K77 PolarHBondContact O-N 2.95Å; M74-K77 VanDerWaalsContact O-N 3.12Å; M74-E78 PolarHBondContact O-N 2.91Å |
| 75 | Q | 95.3 | Very high | 95.6 | Very high | 100 Ų | 100 | 73.4 Ų | 73.4 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 176.9 | -69.6 | 174.5 | -8.8 | 0 | 0 | 112.2 | Q71 K77 E78 L79 | Q71-Q75 WeakPolarHBondContact O-CG 3.49Å; Q71-Q75 PolarHBondContact O-N 3.42Å; Q75-K77 VanDerWaalsContact C-N 3.35Å; Q75-K77 PolarHBondContact O-N 3.1Å; Q75-E78 PolarHBondContact O-N 2.99Å; Q75-L79 PolarHBondContact O-N 2.81Å |
| 76 | L | 96.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.9 | 176 | 60.4 | 0 | 0 | 0 | 111.6 | L25 R28 I29 T32 G72 M74 E78 L79 E80 | L25-L76 HydrophobicContact CD1-CD2 4.12Å; R28-L76 HydrophobicContact CB-CD2 3.67Å; I29-L76 HydrophobicContact CG1-CB 4.32Å; I29-L76 HydrophobicContact CG1-CD1 4.06Å; I29-L76 HydrophobicContact CG1-CD2 4.43Å; T32-L76 HydrophobicContact CG2-CD1 4.14Å; T32-L76 WeakPolarHBondContact OG1-CD1 3.26Å; G72-L76 VanDerWaalsContact O-CB 3.3Å; G72-L76 WeakPolarHBondContact O-CB 3.35Å; G72-L76 PolarHBondContact O-N 3.27Å; M74-L76 VanDerWaalsContact C-N 3.32Å; M74-L76 PolarHBondContact O-N 3.16Å; L76-E78 VanDerWaalsContact C-N 3.32Å; L76-E78 PolarHBondContact O-N 2.9Å; L76-L79 PolarHBondContact O-N 3.44Å; L76-E80 HydrophobicContact CD1-CG 4.28Å; L76-E80 WeakPolarHBondContact O-CG 3.35Å; L76-E80 PolarHBondContact O-N 3.23Å |
| 77 | K | 97.5 | Very high | 94.7 | Very high | 127 Ų | 127 | 75.6 Ų | 75.6 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.5 | -37.4 | 178.7 | -174.3 | 177.1 | -176.7 | 177.6 | 0 | 111.9 | N73 M74 Q75 K81 | N73-K77 WeakPolarHBondContact O-CB 3.49Å; N73-K77 PolarHBondContact O-N 3.12Å; M74-K77 WeakPolarHBondContact O-CB 3.48Å; M74-K77 PolarHBondContact O-N 2.95Å; M74-K77 VanDerWaalsContact O-N 3.12Å; Q75-K77 VanDerWaalsContact C-N 3.35Å; Q75-K77 PolarHBondContact O-N 3.1Å; K77-K81 VanDerWaalsContact O-CG 3.31Å; K77-K81 WeakPolarHBondContact O-CG 3.38Å; K77-K81 PolarHBondContact O-N 3.37Å; K77-K81 VanDerWaalsContact O-N 3.09Å |
| 78 | E | 96 | Very high | 93.4 | Very high | 115 Ų | 115 | 77.9 Ų | 77.9 | 54% | 0.537 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 174 | -72.1 | 171.6 | 177.8 | 0 | 0 | 111.2 | M74 Q75 L76 E80 K81 S82 | M74-E78 PolarHBondContact O-N 2.91Å; Q75-E78 PolarHBondContact O-N 2.99Å; L76-E78 VanDerWaalsContact C-N 3.32Å; L76-E78 PolarHBondContact O-N 2.9Å; E78-E80 PolarHBondContact O-N 2.97Å; E78-K81 WeakPolarHBondContact O-CB 3.44Å; E78-K81 PolarHBondContact O-N 3.36Å; E78-S82 PolarHBondContact O-N 3.45Å; E78-S82 PolarHBondContact O-OG 3.27Å |
| 79 | L | 94.3 | Very high | 93.3 | Very high | 42 Ų | 42 | 79 Ų | 79 | 22% | 0.22 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 175.9 | -179.3 | 63.7 | 0 | 0 | 0 | 112 | T32 I33 Q75 L76 K81 S82 L83 | T32-L79 HydrophobicContact CG2-CB 4.45Å; T32-L79 HydrophobicContact CG2-CD2 3.68Å; T32-L79 HydrophobicContact CG2-CG 3.76Å; I33-L79 HydrophobicContact CG1-CD2 4.15Å; Q75-L79 PolarHBondContact O-N 2.81Å; L76-L79 PolarHBondContact O-N 3.44Å; L79-K81 VanDerWaalsContact C-N 3.31Å; L79-K81 PolarHBondContact O-N 2.86Å; L79-S82 PolarHBondContact O-N 3.02Å; L79-L83 HydrophobicContact CD1-CD1 4.23Å; L79-L83 HydrophobicContact CD1-CG 4.36Å; L79-L83 HydrophobicContact CG-CD1 4.06Å; L79-L83 WeakPolarHBondContact O-CB 3.41Å; L79-L83 VanDerWaalsContact O-CG 3.29Å; L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.39Å |
| 80 | E | 95.6 | Very high | 93.1 | Very high | 70 Ų | 70 | 82.2 Ų | 82.2 | 33% | 0.327 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 176 | -74.9 | 171.7 | 174 | 0 | 0 | 111.5 | R28 T32 L76 E78 A84 | R28-E80 IonicContact NH2-OE1 2.88Å; R28-E80 PolarHBondContact NH2-OE1 3.48Å; R28-E80 IonicContact NH2-OE2 3.08Å; T32-E80 HydrophobicContact CG2-CG 3.8Å; L76-E80 HydrophobicContact CD1-CG 4.28Å; L76-E80 WeakPolarHBondContact O-CG 3.35Å; L76-E80 PolarHBondContact O-N 3.23Å; E78-E80 PolarHBondContact O-N 2.97Å; E80-A84 WeakPolarHBondContact O-CB 3.36Å; E80-A84 PolarHBondContact O-N 3.08Å |
| 81 | K | 96.1 | Very high | 92.8 | Very high | 123 Ų | 123 | 82.1 Ų | 82.1 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.6 | -47.9 | 176.3 | -74.7 | 173.7 | 177 | -173.7 | 0 | 112.4 | K77 E78 L79 L83 A84 L85 | K77-K81 VanDerWaalsContact O-CG 3.31Å; K77-K81 WeakPolarHBondContact O-CG 3.38Å; K77-K81 PolarHBondContact O-N 3.37Å; K77-K81 VanDerWaalsContact O-N 3.09Å; E78-K81 WeakPolarHBondContact O-CB 3.44Å; E78-K81 PolarHBondContact O-N 3.36Å; L79-K81 VanDerWaalsContact C-N 3.31Å; L79-K81 PolarHBondContact O-N 2.86Å; K81-L83 PolarHBondContact O-N 2.96Å; K81-A84 WeakPolarHBondContact O-CB 3.46Å; K81-A84 PolarHBondContact O-N 3.46Å; K81-A84 VanDerWaalsContact O-N 3.12Å; K81-L85 WeakPolarHBondContact O-CG 3.47Å; K81-L85 PolarHBondContact O-N 2.87Å |
| 82 | S | 93.5 | Very high | 92.6 | Very high | 75 Ų | 75 | 81.4 Ų | 81.4 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.5 | -39.3 | 178.5 | -64 | 0 | 0 | 0 | 0 | 111.5 | E78 L79 L85 A86 | E78-S82 PolarHBondContact O-N 3.45Å; E78-S82 PolarHBondContact O-OG 3.27Å; L79-S82 PolarHBondContact O-N 3.02Å; S82-L85 PolarHBondContact O-N 3.07Å; S82-A86 WeakPolarHBondContact O-CB 3.35Å; S82-A86 PolarHBondContact O-N 3.37Å |
| 83 | L | 93.2 | Very high | 92.4 | Very high | 13 Ų | 13 | 85.9 Ų | 85.9 | 7% | 0.068 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 175.4 | -71.5 | 171.1 | 0 | 0 | 0 | 113.1 | T32 Q35 V36 L79 K81 A86 K87 | T32-L83 HydrophobicContact CG2-CD1 3.54Å; Q35-L83 HydrophobicContact CB-CD1 4.28Å; V36-L83 HydrophobicContact CB-CD2 4.45Å; V36-L83 HydrophobicContact CG2-CD1 4.4Å; V36-L83 HydrophobicContact CG2-CD2 3.94Å; L79-L83 HydrophobicContact CD1-CD1 4.23Å; L79-L83 HydrophobicContact CD1-CG 4.36Å; L79-L83 HydrophobicContact CG-CD1 4.06Å; L79-L83 WeakPolarHBondContact O-CB 3.41Å; L79-L83 VanDerWaalsContact O-CG 3.29Å; L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.39Å; K81-L83 PolarHBondContact O-N 2.96Å; L83-A86 PolarHBondContact O-N 3.26Å; L83-K87 VanDerWaalsContact O-CG 3.28Å; L83-K87 WeakPolarHBondContact O-CG 3.33Å; L83-K87 PolarHBondContact O-N 3.37Å |
| 84 | A | 93 | Very high | 92 | Very high | 61 Ų | 61 | 87.5 Ų | 87.5 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E80 K81 K87 S88 | E80-A84 WeakPolarHBondContact O-CB 3.36Å; E80-A84 PolarHBondContact O-N 3.08Å; K81-A84 WeakPolarHBondContact O-CB 3.46Å; K81-A84 PolarHBondContact O-N 3.46Å; K81-A84 VanDerWaalsContact O-N 3.12Å; A84-K87 PolarHBondContact O-N 3.18Å; A84-S88 PolarHBondContact O-N 3.36Å |
| 85 | L | 92.1 | Very high | 91.6 | Very high | 126 Ų | 126 | 85.7 Ų | 85.7 | 66% | 0.66 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.3 | -33.5 | 176.7 | -67.1 | 171.9 | 0 | 0 | 0 | 113 | K81 S82 K87 S88 | K81-L85 WeakPolarHBondContact O-CG 3.47Å; K81-L85 PolarHBondContact O-N 2.87Å; S82-L85 PolarHBondContact O-N 3.07Å; L85-K87 PolarHBondContact O-N 2.88Å; L85-S88 PolarHBondContact O-OG 3.36Å |
| 86 | A | 88.5 | Confident | 91.3 | Very high | 74 Ų | 74 | 84.6 Ų | 84.6 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.6 | -15.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S82 L83 | S82-A86 WeakPolarHBondContact O-CB 3.35Å; S82-A86 PolarHBondContact O-N 3.37Å; L83-A86 PolarHBondContact O-N 3.26Å |
| 87 | K | 82.3 | Confident | 90.9 | Very high | 126 Ų | 126 | 91.3 Ų | 91.3 | 55% | 0.548 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -97.1 | -14.9 | 179.1 | -70.1 | 174 | -170.7 | 176.1 | 0 | 113.5 | L83 A84 L85 | L83-K87 VanDerWaalsContact O-CG 3.28Å; L83-K87 WeakPolarHBondContact O-CG 3.33Å; L83-K87 PolarHBondContact O-N 3.37Å; A84-K87 PolarHBondContact O-N 3.18Å; L85-K87 PolarHBondContact O-N 2.88Å |
| 88 | S | 68.9 | Low | 90.3 | Very high | 144 Ų | 144 | 88.1 Ų | 88.1 | 100% | 1.007 | 50% | 0.504 | S | S | * | . | trans | -85.3 | 0 | 175.7 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | A84 L85 | A84-S88 PolarHBondContact O-N 3.36Å; L85-S88 PolarHBondContact O-OG 3.36Å |
Retrieved 88 of 88 residues in 527 ms
(Link to these results)