| 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 | 39.8 | Very low | 57.1 | Low | 246 Ų | 246 | 126.3 Ų | 126.3 | 100% | 1.212 | 71% | 0.713 | S | S | * | * | 0 | 110.6 | 0 | -102.4 | 167.8 | 169.2 | 0 | 0 | 107.7 | L3 | M1-L3 PolarHBondContact O-N 3.43Š| |||
| 2 | I | 41.8 | Very low | 58.6 | Low | 169 Ų | 169 | 125.9 Ų | 125.9 | 87% | 0.867 | 70% | 0.698 | S | S | * | * | trans | -81.1 | 110.6 | -176.8 | -67.9 | 158.5 | 0 | 0 | 0 | 106.8 | S4 | I2-S4 PolarHBondContact O-N 2.81Å; I2-S4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | L | 49.8 | Very low | 60.2 | Low | 161 Ų | 161 | 122.9 Ų | 122.9 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -71.5 | 104.5 | 175 | -172.1 | 65.5 | 0 | 0 | 0 | 107.5 | M1 N5 | M1-L3 PolarHBondContact O-N 3.43Å; L3-N5 PolarHBondContact O-N 2.92Å | ||
| 4 | S | 49 | Very low | 61 | Low | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 67% | 0.666 | S | S | * | * | trans | -56.4 | 114.5 | 174.9 | -72.9 | 0 | 0 | 0 | 0 | 109.8 | I2 S6 | I2-S4 PolarHBondContact O-N 2.81Å; I2-S4 VanDerWaalsContact O-N 3.17Å; S4-S6 PolarHBondContact O-N 3.25Å | ||
| 5 | N | 58.9 | Low | 62.1 | Low | 150 Ų | 150 | 115.6 Ų | 115.6 | 80% | 0.802 | 65% | 0.653 | S | S | * | * | trans | -58.9 | 98.7 | 167.4 | -96.8 | -91.8 | 0 | 0 | 0 | 109 | L3 | L3-N5 PolarHBondContact O-N 2.92Š| ||
| 6 | S | 57.3 | Low | 62.8 | Low | 77 Ų | 77 | 113.1 Ų | 113.1 | 54% | 0.538 | 64% | 0.637 | S | S | . | * | trans | -110.3 | 76.9 | 170.7 | -165 | 0 | 0 | 0 | 0 | 109 | S4 T8 | S4-S6 PolarHBondContact O-N 3.25Å; S6-T8 PolarHBondContact O-N 3.43Å | ||
| 7 | T | 60.2 | Low | 63.2 | Low | 97 Ų | 97 | 118.4 Ų | 118.4 | 60% | 0.595 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -77.1 | -4.2 | 172.6 | 34.5 | 0 | 0 | 0 | 0 | 112.7 | V9 M10 | T7-V9 VanDerWaalsContact C-N 3.29Å; T7-V9 PolarHBondContact O-N 3.47Å; T7-M10 WeakPolarHBondContact O-CB 3.31Å; T7-M10 PolarHBondContact O-N 2.86Å |
| 8 | T | 61.7 | Low | 63.8 | Low | 119 Ų | 119 | 122.7 Ų | 122.7 | 73% | 0.73 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -69.7 | -21 | -178.8 | -33.3 | 0 | 0 | 0 | 0 | 113.8 | S6 P11 | S6-T8 PolarHBondContact O-N 3.43Å; T8-P11 VanDerWaalsContact O-CD 3.28Å; T8-P11 WeakPolarHBondContact O-CD 3.34Å; T8-P11 WeakPolarHBondContact O-CG 3.48Å |
| 9 | V | 67.6 | Low | 63.9 | Low | 74 Ų | 74 | 123.1 Ų | 123.1 | 45% | 0.448 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -88.6 | -13.5 | 178.8 | -124.1 | 0 | 0 | 0 | 0 | 113.4 | T7 F12 L13 | T7-V9 VanDerWaalsContact C-N 3.29Å; T7-V9 PolarHBondContact O-N 3.47Å; V9-F12 PolarHBondContact O-N 3.36Å; V9-L13 PolarHBondContact O-N 3.45Å; V9-L13 VanDerWaalsContact O-N 3.15Å |
| 10 | M | 67.7 | Low | 63.9 | Low | 109 Ų | 109 | 121.7 Ų | 121.7 | 54% | 0.537 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -58.4 | -39.7 | 176.7 | -67.8 | -80.1 | 87.5 | 0 | 0 | 114.9 | T7 F12 L13 A14 | T7-M10 WeakPolarHBondContact O-CB 3.31Å; T7-M10 PolarHBondContact O-N 2.86Å; M10-F12 VanDerWaalsContact C-N 3.33Å; M10-F12 PolarHBondContact O-N 3.08Å; M10-L13 HydrophobicContact CE-CB 4.48Å; M10-L13 HydrophobicContact CE-CD1 3.49Å; M10-L13 VanDerWaalsContact CE-CD1 3.49Å; M10-L13 PolarHBondContact O-N 2.98Å; M10-A14 VanDerWaalsContact O-CB 3.32Å; M10-A14 WeakPolarHBondContact O-CB 3.39Å; M10-A14 PolarHBondContact O-N 3.04Å |
| 11 | P | 74.2 | Confident | 63.5 | Low | 84 Ų | 84 | 119 Ų | 119 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.6 | -32.6 | 177.1 | 24.2 | -34.7 | 0 | 0 | 0 | 113.2 | T8 A14 T15 | T8-P11 VanDerWaalsContact O-CD 3.28Å; T8-P11 WeakPolarHBondContact O-CD 3.34Å; T8-P11 WeakPolarHBondContact O-CG 3.48Å; P11-A14 WeakPolarHBondContact O-CB 3.48Å; P11-A14 PolarHBondContact O-N 2.97Å; P11-T15 PolarHBondContact O-N 3.24Å; P11-T15 VanDerWaalsContact O-N 3.09Å; P11-T15 PolarHBondContact O-OG1 2.91Å |
| 12 | F | 75.8 | Confident | 64.3 | Low | 122 Ų | 122 | 115 Ų | 115 | 54% | 0.535 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.8 | -40.2 | 176.1 | 175.7 | -106.6 | 0 | 0 | 0 | 112.2 | V9 M10 A14 T15 L16 | V9-F12 PolarHBondContact O-N 3.36Å; M10-F12 VanDerWaalsContact C-N 3.33Å; M10-F12 PolarHBondContact O-N 3.08Å; F12-A14 VanDerWaalsContact C-N 3.3Å; F12-T15 WeakPolarHBondContact CA-OG1 3.48Å; F12-T15 PolarHBondContact O-N 3.45Å; F12-T15 PolarHBondContact O-OG1 2.87Å; F12-L16 HydrophobicContact CD1-CD1 3.92Å; F12-L16 HydrophobicContact CE1-CD1 3.35Å; F12-L16 HydrophobicContact CE1-CG 4.2Å; F12-L16 HydrophobicContact CE2-CD1 4.38Å; F12-L16 HydrophobicContact CE2-CG 4.42Å; F12-L16 HydrophobicContact CZ-CD1 3.63Å; F12-L16 HydrophobicContact CZ-CD2 4.46Å; F12-L16 HydrophobicContact CZ-CG 4.11Å; F12-L16 PolarHBondContact O-N 3Å |
| 13 | L | 78.4 | Confident | 64.5 | Low | 87 Ų | 87 | 114.1 Ų | 114.1 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.3 | -33.3 | 172.2 | -69.1 | 170.4 | 0 | 0 | 0 | 111.6 | V9 M10 T15 L16 W17 | V9-L13 PolarHBondContact O-N 3.45Å; V9-L13 VanDerWaalsContact O-N 3.15Å; M10-L13 HydrophobicContact CE-CB 4.48Å; M10-L13 HydrophobicContact CE-CD1 3.49Å; M10-L13 VanDerWaalsContact CE-CD1 3.49Å; M10-L13 PolarHBondContact O-N 2.98Å; L13-T15 VanDerWaalsContact C-N 3.32Å; L13-T15 PolarHBondContact O-N 2.93Å; L13-L16 HydrophobicContact CD2-CD1 4.43Å; L13-L16 PolarHBondContact O-N 3.15Å; L13-W17 VanDerWaalsContact O-CB 3.29Å; L13-W17 WeakPolarHBondContact O-CB 3.2Å; L13-W17 PolarHBondContact O-N 3.27Å |
| 14 | A | 71.5 | Confident | 64.3 | Low | 60 Ų | 60 | 108 Ų | 108 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.5 | -32.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M10 P11 F12 R18 | M10-A14 VanDerWaalsContact O-CB 3.32Å; M10-A14 WeakPolarHBondContact O-CB 3.39Å; M10-A14 PolarHBondContact O-N 3.04Å; P11-A14 WeakPolarHBondContact O-CB 3.48Å; P11-A14 PolarHBondContact O-N 2.97Å; F12-A14 VanDerWaalsContact C-N 3.3Å; A14-R18 WeakPolarHBondContact O-CB 3.05Å; A14-R18 PolarHBondContact O-N 2.83Å |
| 15 | T | 77.8 | Confident | 64.3 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 47% | 0.466 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -77.9 | -41.5 | 173.7 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | P11 F12 L13 W17 R18 E19 | P11-T15 PolarHBondContact O-N 3.24Å; P11-T15 VanDerWaalsContact O-N 3.09Å; P11-T15 PolarHBondContact O-OG1 2.91Å; F12-T15 WeakPolarHBondContact CA-OG1 3.48Å; F12-T15 PolarHBondContact O-N 3.45Å; F12-T15 PolarHBondContact O-OG1 2.87Å; L13-T15 VanDerWaalsContact C-N 3.32Å; L13-T15 PolarHBondContact O-N 2.93Å; T15-W17 VanDerWaalsContact C-N 3.32Å; T15-W17 PolarHBondContact O-N 2.75Å; T15-R18 WeakPolarHBondContact O-CB 3.32Å; T15-R18 PolarHBondContact O-N 3.46Å; T15-R18 VanDerWaalsContact O-N 3.11Å; T15-E19 PolarHBondContact O-N 3.26Å |
| 16 | L | 73.4 | Confident | 63.7 | Low | 76 Ų | 76 | 106.3 Ų | 106.3 | 40% | 0.398 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.3 | -38.7 | 175.7 | -76.2 | 175.3 | 0 | 0 | 0 | 112.4 | F12 L13 R18 E19 T20 | F12-L16 HydrophobicContact CD1-CD1 3.92Å; F12-L16 HydrophobicContact CE1-CD1 3.35Å; F12-L16 HydrophobicContact CE1-CG 4.2Å; F12-L16 HydrophobicContact CE2-CD1 4.38Å; F12-L16 HydrophobicContact CE2-CG 4.42Å; F12-L16 HydrophobicContact CZ-CD1 3.63Å; F12-L16 HydrophobicContact CZ-CD2 4.46Å; F12-L16 HydrophobicContact CZ-CG 4.11Å; F12-L16 PolarHBondContact O-N 3Å; L13-L16 HydrophobicContact CD2-CD1 4.43Å; L13-L16 PolarHBondContact O-N 3.15Å; L16-R18 VanDerWaalsContact C-N 3.33Å; L16-E19 PolarHBondContact O-N 2.84Å; L16-T20 WeakPolarHBondContact O-CB 3.5Å; L16-T20 WeakPolarHBondContact O-CG2 3.43Å; L16-T20 PolarHBondContact O-N 3.49Å; L16-T20 PolarHBondContact O-OG1 3.43Å |
| 17 | W | 70.1 | Confident | 63.3 | Low | 203 Ų | 203 | 106.1 Ų | 106.1 | 77% | 0.769 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 173.5 | -174.8 | -94.1 | 0 | 0 | 0 | 112 | L13 T15 T20 A21 | L13-W17 VanDerWaalsContact O-CB 3.29Å; L13-W17 WeakPolarHBondContact O-CB 3.2Å; L13-W17 PolarHBondContact O-N 3.27Å; T15-W17 VanDerWaalsContact C-N 3.32Å; T15-W17 PolarHBondContact O-N 2.75Å; W17-T20 PolarHBondContact O-OG1 2.84Å; W17-A21 WeakPolarHBondContact O-CB 3.18Å; W17-A21 PolarHBondContact O-N 3.45Å; W17-A21 VanDerWaalsContact O-N 3.13Å |
| 18 | R | 73 | Confident | 62.6 | Low | 195 Ų | 195 | 106.9 Ų | 106.9 | 74% | 0.736 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.7 | -35.2 | 177.2 | -164.8 | 174.8 | -179.4 | 172.2 | -0.1 | 112.5 | A14 T15 L16 Q22 | A14-R18 WeakPolarHBondContact O-CB 3.05Å; A14-R18 PolarHBondContact O-N 2.83Å; T15-R18 WeakPolarHBondContact O-CB 3.32Å; T15-R18 PolarHBondContact O-N 3.46Å; T15-R18 VanDerWaalsContact O-N 3.11Å; L16-R18 VanDerWaalsContact C-N 3.33Å; R18-Q22 WeakPolarHBondContact O-CG 3.3Å; R18-Q22 PolarHBondContact O-N 2.94Å |
| 19 | E | 65.8 | Low | 61.9 | Low | 130 Ų | 130 | 103 Ų | 103 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.2 | -47.1 | 179 | -159.5 | 104.9 | -173.2 | 0 | 0 | 112 | T15 L16 A21 Q22 Q23 | T15-E19 PolarHBondContact O-N 3.26Å; L16-E19 PolarHBondContact O-N 2.84Å; E19-A21 VanDerWaalsContact C-N 3.32Å; E19-A21 PolarHBondContact O-N 3.42Å; E19-Q22 PolarHBondContact O-N 3.24Å; E19-Q23 WeakPolarHBondContact O-CB 3.07Å; E19-Q23 PolarHBondContact O-N 3.05Å |
| 20 | T | 64.2 | Low | 60.8 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 58% | 0.583 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.5 | -31 | 178.9 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | L16 W17 | L16-T20 WeakPolarHBondContact O-CB 3.5Å; L16-T20 WeakPolarHBondContact O-CG2 3.43Å; L16-T20 PolarHBondContact O-N 3.49Å; L16-T20 PolarHBondContact O-OG1 3.43Å; W17-T20 PolarHBondContact O-OG1 2.84Å |
| 21 | A | 56.5 | Low | 59.5 | Low | 67 Ų | 67 | 106.9 Ų | 106.9 | 55% | 0.554 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.1 | -32 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W17 E19 | W17-A21 WeakPolarHBondContact O-CB 3.18Å; W17-A21 PolarHBondContact O-N 3.45Å; W17-A21 VanDerWaalsContact O-N 3.13Å; E19-A21 VanDerWaalsContact C-N 3.32Å; E19-A21 PolarHBondContact O-N 3.42Å |
| 22 | Q | 55.7 | Low | 57.9 | Low | 160 Ų | 160 | 112.6 Ų | 112.6 | 75% | 0.748 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -82 | -31.6 | 176.4 | -74.4 | -72.6 | -44.4 | 0 | 0 | 112.3 | R18 E19 G24 G25 | R18-Q22 WeakPolarHBondContact O-CG 3.3Å; R18-Q22 PolarHBondContact O-N 2.94Å; E19-Q22 PolarHBondContact O-N 3.24Å; Q22-G24 PolarHBondContact O-N 2.93Å; Q22-G25 PolarHBondContact O-N 3.39Å |
| 23 | Q | 46.9 | Very low | 56.8 | Low | 151 Ų | 151 | 118.6 Ų | 118.6 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -80.2 | 4.7 | 176 | -164 | 141.6 | -33.1 | 0 | 0 | 114.4 | E19 | E19-Q23 WeakPolarHBondContact O-CB 3.07Å; E19-Q23 PolarHBondContact O-N 3.05Å |
| 24 | G | 44.4 | Very low | 55.6 | Low | 32 Ų | 32 | 119.4 Ų | 119.4 | 33% | 0.33 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -75.4 | -6.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q22 D26 A27 | Q22-G24 PolarHBondContact O-N 2.93Å; G24-D26 PolarHBondContact O-N 3.29Å; G24-D26 VanDerWaalsContact O-N 3.15Å; G24-A27 PolarHBondContact O-N 3.23Å |
| 25 | G | 49.7 | Very low | 54.8 | Low | 65 Ų | 65 | 121.5 Ų | 121.5 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -59.1 | -19.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q22 | Q22-G25 PolarHBondContact O-N 3.39Š|
| 26 | D | 46.7 | Very low | 53.6 | Low | 153 Ų | 153 | 125.6 Ų | 125.6 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -106.5 | -5.4 | 174.4 | -67.8 | -38.5 | 0 | 0 | 0 | 113.8 | G24 | G24-D26 PolarHBondContact O-N 3.29Å; G24-D26 VanDerWaalsContact O-N 3.15Å |
| 27 | A | 48.6 | Very low | 52.6 | Low | 74 Ų | 74 | 132.9 Ų | 132.9 | 61% | 0.612 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -4.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G24 | G24-A27 PolarHBondContact O-N 3.23Š|
| 28 | S | 46.1 | Very low | 52.1 | Low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 3 | 176.5 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 29 | G | 46.7 | Very low | 51.8 | Low | 39 Ų | 39 | 121.4 Ų | 121.4 | 40% | 0.402 | 66% | 0.664 | S | S | . | * | trans | -86.9 | -1.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A31 R32 | G29-A31 PolarHBondContact O-N 3.39Å; G29-R32 WeakPolarHBondContact O-CB 3.17Å; G29-R32 PolarHBondContact O-N 3.44Å | ||
| 30 | L | 44.8 | Very low | 51.9 | Low | 169 Ų | 169 | 119.7 Ų | 119.7 | 89% | 0.885 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -8.2 | -173.9 | -120.6 | 164.1 | 0 | 0 | 0 | 114.1 | ||
| 31 | A | 40.3 | Very low | 52.5 | Low | 95 Ų | 95 | 122 Ų | 122 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 16 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G29 R33 | G29-A31 PolarHBondContact O-N 3.39Å; A31-R33 PolarHBondContact O-N 2.72Å |
| 32 | R | 40.7 | Very low | 53.7 | Low | 203 Ų | 203 | 122.2 Ų | 122.2 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | trans | -74.6 | 79.8 | 170.2 | -172.3 | 158.6 | -73.8 | 156.2 | 0.8 | 109.4 | G29 S34 | G29-R32 WeakPolarHBondContact O-CB 3.17Å; G29-R32 PolarHBondContact O-N 3.44Å; R32-S34 PolarHBondContact O-N 2.96Å | ||
| 33 | R | 51.6 | Low | 55.1 | Low | 248 Ų | 248 | 120.5 Ų | 120.5 | 94% | 0.936 | 65% | 0.652 | S | S | * | * | trans | -2.3 | 82.8 | 144.9 | -166 | 177.7 | -167 | 165.3 | 3.3 | 113.6 | A31 | A31-R33 PolarHBondContact O-N 2.72Š| ||
| 34 | S | 53 | Low | 57.1 | Low | 104 Ų | 104 | 115.7 Ų | 115.7 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | trans | -156 | 74.6 | 159.2 | 71.4 | 0 | 0 | 0 | 0 | 109.9 | R32 | R32-S34 PolarHBondContact O-N 2.96Š| ||
| 35 | Q | 54.4 | Low | 59.3 | Low | 104 Ų | 104 | 118.8 Ų | 118.8 | 49% | 0.486 | 65% | 0.646 | S | S | . | * | trans | -152.8 | 75.4 | 162.6 | -119.3 | 170.8 | -12.3 | 0 | 0 | 108.4 | D38 L42 | Q35-D38 HydrophobicContact CG-CB 4.1Å; Q35-D38 PolarHBondContact NE2-OD2 3.35Å; Q35-L42 HydrophobicContact CB-CD1 4.21Å; Q35-L42 HydrophobicContact CG-CD1 4.36Å | ||
| 36 | L | 52.6 | Low | 61.4 | Low | 162 Ų | 162 | 122.8 Ų | 122.8 | 85% | 0.848 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -102.5 | 10.9 | 164.9 | -172.9 | 58.6 | 0 | 0 | 0 | 110 | ||
| 37 | R | 53.1 | Low | 63.5 | Low | 229 Ų | 229 | 120 Ų | 120 | 86% | 0.864 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -124.1 | -10.7 | -170.8 | -159 | 155.3 | 73 | -149.6 | 5.3 | 114.7 | ||
| 38 | D | 60.1 | Low | 65.6 | Low | 68 Ų | 68 | 122.1 Ų | 122.1 | 36% | 0.364 | 63% | 0.627 | S | S | . | * | trans | -124.1 | 25.3 | -175.8 | -53.6 | -32.3 | 0 | 0 | 0 | 113 | Q35 S40 K41 L42 | Q35-D38 HydrophobicContact CG-CB 4.1Å; Q35-D38 PolarHBondContact NE2-OD2 3.35Å; D38-S40 PolarHBondContact O-N 2.96Å; D38-S40 VanDerWaalsContact O-N 3.15Å; D38-K41 HydrophobicContact CB-CB 4.39Å; D38-K41 WeakPolarHBondContact O-CB 3.37Å; D38-K41 PolarHBondContact O-N 3.32Å; D38-L42 PolarHBondContact O-N 3.37Å; D38-L42 VanDerWaalsContact O-N 3.08Å | ||
| 39 | D | 65.7 | Low | 67.9 | Low | 89 Ų | 89 | 121.4 Ų | 121.4 | 48% | 0.476 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -54.8 | -37 | -172.6 | -66.5 | 0.7 | 0 | 0 | 0 | 112.8 | K41 L42 E43 | D39-K41 PolarHBondContact O-N 3.5Å; D39-L42 PolarHBondContact O-N 2.7Å; D39-E43 WeakPolarHBondContact O-CB 3.44Å; D39-E43 PolarHBondContact O-N 2.94Å |
| 40 | S | 67.9 | Low | 70.3 | Confident | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68 | -31.9 | 177.1 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | D38 A44 | D38-S40 PolarHBondContact O-N 2.96Å; D38-S40 VanDerWaalsContact O-N 3.15Å; S40-A44 WeakPolarHBondContact O-CB 3.38Å; S40-A44 PolarHBondContact O-N 2.93Å |
| 41 | K | 77.1 | Confident | 72.7 | Confident | 144 Ų | 144 | 119.8 Ų | 119.8 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -75.9 | -37.3 | 176.8 | -167.6 | 175.1 | -179.9 | -179.3 | 0 | 110.5 | D38 D39 E43 L45 | D38-K41 HydrophobicContact CB-CB 4.39Å; D38-K41 WeakPolarHBondContact O-CB 3.37Å; D38-K41 PolarHBondContact O-N 3.32Å; D39-K41 PolarHBondContact O-N 3.5Å; K41-E43 VanDerWaalsContact C-N 3.33Å; K41-L45 HydrophobicContact CG-CD1 4.44Å; K41-L45 WeakPolarHBondContact O-CB 3.48Å; K41-L45 WeakPolarHBondContact O-CG 3.36Å; K41-L45 PolarHBondContact O-N 3Å |
| 42 | L | 82.8 | Confident | 75.3 | Confident | 71 Ų | 71 | 117.5 Ų | 117.5 | 37% | 0.372 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.6 | -39.7 | 173 | -64.5 | 174.5 | 0 | 0 | 0 | 111.2 | Q35 D38 D39 L45 Y46 | Q35-L42 HydrophobicContact CB-CD1 4.21Å; Q35-L42 HydrophobicContact CG-CD1 4.36Å; D38-L42 PolarHBondContact O-N 3.37Å; D38-L42 VanDerWaalsContact O-N 3.08Å; D39-L42 PolarHBondContact O-N 2.7Å; L42-L45 PolarHBondContact O-N 3.21Å; L42-Y46 WeakPolarHBondContact O-CB 3.35Å; L42-Y46 PolarHBondContact O-N 2.85Å |
| 43 | E | 84.3 | Confident | 78 | Confident | 125 Ų | 125 | 112.8 Ų | 112.8 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.6 | -44.6 | 176.5 | -168.6 | 172 | -163.3 | 0 | 0 | 112.2 | D39 K41 L45 Y46 I47 | D39-E43 WeakPolarHBondContact O-CB 3.44Å; D39-E43 PolarHBondContact O-N 2.94Å; K41-E43 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 3.44Å; E43-Y46 WeakPolarHBondContact O-CB 3.34Å; E43-Y46 PolarHBondContact O-N 2.86Å; E43-I47 HydrophobicContact CG-CD1 4.24Å; E43-I47 VanDerWaalsContact O-CG1 3.31Å; E43-I47 WeakPolarHBondContact O-CG1 3.17Å; E43-I47 PolarHBondContact O-N 3.37Å |
| 44 | A | 88.3 | Confident | 80.1 | Confident | 49 Ų | 49 | 107.6 Ų | 107.6 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S40 I47 L48 | S40-A44 WeakPolarHBondContact O-CB 3.38Å; S40-A44 PolarHBondContact O-N 2.93Å; A44-I47 PolarHBondContact O-N 3.43Å; A44-L48 WeakPolarHBondContact O-CB 3.31Å; A44-L48 WeakPolarHBondContact O-CG 3.15Å; A44-L48 PolarHBondContact O-N 3.49Å |
| 45 | L | 91.6 | Very high | 82 | Confident | 97 Ų | 97 | 104.1 Ų | 104.1 | 51% | 0.508 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 174.8 | -74.1 | 171.5 | 0 | 0 | 0 | 111.7 | K41 L42 E43 L48 M49 | K41-L45 HydrophobicContact CG-CD1 4.44Å; K41-L45 WeakPolarHBondContact O-CB 3.48Å; K41-L45 WeakPolarHBondContact O-CG 3.36Å; K41-L45 PolarHBondContact O-N 3Å; L42-L45 PolarHBondContact O-N 3.21Å; E43-L45 PolarHBondContact O-N 3.44Å; L45-L48 PolarHBondContact O-N 3.38Å; L45-M49 WeakPolarHBondContact O-CB 3.39Å; L45-M49 PolarHBondContact O-N 3Å |
| 46 | Y | 92.5 | Very high | 84 | Confident | 149 Ų | 149 | 106.2 Ų | 106.2 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.4 | -47.2 | 175 | 175.1 | -101.7 | 0 | 0 | 0 | 111.4 | L42 E43 L48 M49 V50 | L42-Y46 WeakPolarHBondContact O-CB 3.35Å; L42-Y46 PolarHBondContact O-N 2.85Å; E43-Y46 WeakPolarHBondContact O-CB 3.34Å; E43-Y46 PolarHBondContact O-N 2.86Å; Y46-L48 PolarHBondContact O-N 2.79Å; Y46-M49 PolarHBondContact O-N 3.05Å; Y46-V50 HydrophobicContact CD1-CG2 4.34Å; Y46-V50 HydrophobicContact CD2-CG2 4.13Å; Y46-V50 HydrophobicContact CE1-CG2 3.96Å; Y46-V50 HydrophobicContact CE2-CG2 3.73Å; Y46-V50 HydrophobicContact CG-CG2 4.42Å; Y46-V50 WeakPolarHBondContact O-CB 3.34Å; Y46-V50 VanDerWaalsContact O-CG2 3.3Å; Y46-V50 WeakPolarHBondContact O-CG2 3.46Å; Y46-V50 PolarHBondContact O-N 3.37Å |
| 47 | I | 91.9 | Very high | 86 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 177.7 | -65.3 | 163.6 | 0 | 0 | 0 | 110.9 | E43 A44 M49 V50 L51 | E43-I47 HydrophobicContact CG-CD1 4.24Å; E43-I47 VanDerWaalsContact O-CG1 3.31Å; E43-I47 WeakPolarHBondContact O-CG1 3.17Å; E43-I47 PolarHBondContact O-N 3.37Å; A44-I47 PolarHBondContact O-N 3.43Å; I47-M49 VanDerWaalsContact C-N 3.33Å; I47-M49 PolarHBondContact O-N 2.73Å; I47-V50 PolarHBondContact O-N 2.73Å; I47-L51 WeakPolarHBondContact O-CB 3.27Å; I47-L51 PolarHBondContact O-N 3.22Å |
| 48 | L | 93.4 | Very high | 88 | Confident | 117 Ų | 117 | 96.8 Ų | 96.8 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 176 | -77.4 | 175.2 | 0 | 0 | 0 | 112.2 | A44 L45 Y46 G52 | A44-L48 WeakPolarHBondContact O-CB 3.31Å; A44-L48 WeakPolarHBondContact O-CG 3.15Å; A44-L48 PolarHBondContact O-N 3.49Å; L45-L48 PolarHBondContact O-N 3.38Å; Y46-L48 PolarHBondContact O-N 2.79Å; L48-G52 PolarHBondContact O-N 2.66Å |
| 49 | M | 94.2 | Very high | 89.6 | Confident | 98 Ų | 98 | 98.5 Ų | 98.5 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -48.4 | 178.5 | -167.5 | -158.9 | 83.4 | 0 | 0 | 110.8 | L45 Y46 I47 G52 F53 | L45-M49 WeakPolarHBondContact O-CB 3.39Å; L45-M49 PolarHBondContact O-N 3Å; Y46-M49 PolarHBondContact O-N 3.05Å; I47-M49 VanDerWaalsContact C-N 3.33Å; I47-M49 PolarHBondContact O-N 2.73Å; M49-G52 PolarHBondContact O-N 3.14Å; M49-F53 HydrophobicContact CE-CD2 3.87Å; M49-F53 HydrophobicContact CE-CE2 3.81Å; M49-F53 HydrophobicContact CG-CD2 3.55Å; M49-F53 HydrophobicContact CG-CE2 3.24Å; M49-F53 HydrophobicContact CG-CZ 4.24Å; M49-F53 VanDerWaalsContact O-CB 3.31Å; M49-F53 WeakPolarHBondContact O-CB 3.3Å; M49-F53 WeakPolarHBondContact O-CD2 3.42Å; M49-F53 WeakPolarHBondContact O-CG 3.31Å; M49-F53 PolarHBondContact O-N 3.19Å; M49-F53 HydrophobicContact SD-CD2 4.24Å; M49-F53 HydrophobicContact SD-CE2 3.68Å |
| 50 | V | 95.6 | Very high | 91 | Very high | 62 Ų | 62 | 95 Ų | 95 | 38% | 0.376 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Y46 I47 F54 | Y46-V50 HydrophobicContact CD1-CG2 4.34Å; Y46-V50 HydrophobicContact CD2-CG2 4.13Å; Y46-V50 HydrophobicContact CE1-CG2 3.96Å; Y46-V50 HydrophobicContact CE2-CG2 3.73Å; Y46-V50 HydrophobicContact CG-CG2 4.42Å; Y46-V50 WeakPolarHBondContact O-CB 3.34Å; Y46-V50 VanDerWaalsContact O-CG2 3.3Å; Y46-V50 WeakPolarHBondContact O-CG2 3.46Å; Y46-V50 PolarHBondContact O-N 3.37Å; I47-V50 PolarHBondContact O-N 2.73Å; V50-F54 WeakPolarHBondContact O-CA 3.31Å; V50-F54 WeakPolarHBondContact O-CB 3.19Å; V50-F54 PolarHBondContact O-N 2.74Å |
| 51 | L | 95.6 | Very high | 92.3 | Very high | 112 Ų | 112 | 95.9 Ų | 95.9 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 178.4 | -178 | 62.4 | 0 | 0 | 0 | 111.8 | I47 F54 G55 | I47-L51 WeakPolarHBondContact O-CB 3.27Å; I47-L51 PolarHBondContact O-N 3.22Å; L51-F54 PolarHBondContact O-N 3.02Å; L51-G55 PolarHBondContact O-N 3.04Å |
| 52 | G | 95.4 | Very high | 93.1 | Very high | 46 Ų | 46 | 94.3 Ų | 94.3 | 47% | 0.474 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L48 M49 G55 F56 | L48-G52 PolarHBondContact O-N 2.66Å; M49-G52 PolarHBondContact O-N 3.14Å; G52-G55 PolarHBondContact O-N 3.15Å; G52-F56 VanDerWaalsContact O-CB 3.31Å; G52-F56 WeakPolarHBondContact O-CB 3.35Å; G52-F56 PolarHBondContact O-N 2.93Å |
| 53 | F | 96.3 | Very high | 93.5 | Very high | 104 Ų | 104 | 96.1 Ų | 96.1 | 46% | 0.456 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 174.2 | -74.5 | -44.6 | 0 | 0 | 0 | 111.6 | M49 G55 F56 F57 | M49-F53 HydrophobicContact CE-CD2 3.87Å; M49-F53 HydrophobicContact CE-CE2 3.81Å; M49-F53 HydrophobicContact CG-CD2 3.55Å; M49-F53 HydrophobicContact CG-CE2 3.24Å; M49-F53 HydrophobicContact CG-CZ 4.24Å; M49-F53 VanDerWaalsContact O-CB 3.31Å; M49-F53 WeakPolarHBondContact O-CB 3.3Å; M49-F53 WeakPolarHBondContact O-CD2 3.42Å; M49-F53 WeakPolarHBondContact O-CG 3.31Å; M49-F53 PolarHBondContact O-N 3.19Å; M49-F53 HydrophobicContact SD-CD2 4.24Å; M49-F53 HydrophobicContact SD-CE2 3.68Å; F53-G55 VanDerWaalsContact C-N 3.33Å; F53-G55 PolarHBondContact O-N 3.29Å; F53-F56 CarbonylContact O-C 3.6Å; F53-F56 PolarHBondContact O-N 2.94Å; F53-F57 HydrophobicContact CB-CD2 3.94Å; F53-F57 HydrophobicContact CB-CE2 4.11Å; F53-F57 HydrophobicContact CD1-CE2 4.2Å; F53-F57 HydrophobicContact CG-CE2 4.34Å; F53-F57 VanDerWaalsContact O-CB 3.27Å; F53-F57 WeakPolarHBondContact O-CB 3.13Å; F53-F57 WeakPolarHBondContact O-CD2 3.47Å; F53-F57 PolarHBondContact O-N 3.04Å |
| 54 | F | 95.5 | Very high | 93.8 | Very high | 140 Ų | 140 | 93.8 Ų | 93.8 | 61% | 0.614 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.9 | -45.6 | 178.9 | 177.3 | -101.1 | 0 | 0 | 0 | 112 | V50 L51 T58 | V50-F54 WeakPolarHBondContact O-CA 3.31Å; V50-F54 WeakPolarHBondContact O-CB 3.19Å; V50-F54 PolarHBondContact O-N 2.74Å; L51-F54 PolarHBondContact O-N 3.02Å; F54-T58 WeakPolarHBondContact O-CB 3.09Å; F54-T58 PolarHBondContact O-N 3.48Å; F54-T58 PolarHBondContact O-OG1 3.24Å |
| 55 | G | 94.4 | Very high | 93.8 | Very high | 31 Ų | 31 | 98.1 Ų | 98.1 | 32% | 0.32 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L51 G52 F53 F57 T58 L59 | L51-G55 PolarHBondContact O-N 3.04Å; G52-G55 PolarHBondContact O-N 3.15Å; F53-G55 VanDerWaalsContact C-N 3.33Å; F53-G55 PolarHBondContact O-N 3.29Å; G55-F57 PolarHBondContact O-N 3.47Å; G55-T58 PolarHBondContact O-N 2.8Å; G55-L59 WeakPolarHBondContact O-CD1 3.31Å; G55-L59 PolarHBondContact O-N 3.49Å |
| 56 | F | 95.6 | Very high | 93.6 | Very high | 147 Ų | 147 | 98 Ų | 98 | 65% | 0.645 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.9 | -40.3 | 179.4 | 179.8 | -99.9 | 0 | 0 | 0 | 112.7 | G52 F53 G60 | G52-F56 VanDerWaalsContact O-CB 3.31Å; G52-F56 WeakPolarHBondContact O-CB 3.35Å; G52-F56 PolarHBondContact O-N 2.93Å; F53-F56 CarbonylContact O-C 3.6Å; F53-F56 PolarHBondContact O-N 2.94Å; F56-G60 WeakPolarHBondContact O-CA 3.35Å; F56-G60 PolarHBondContact O-N 2.82Å |
| 57 | F | 95.8 | Very high | 93.1 | Very high | 128 Ų | 128 | 100.7 Ų | 100.7 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.9 | -42.5 | 177.2 | -86.8 | -76.7 | 0 | 0 | 0 | 110.9 | F53 G55 L59 G60 I61 | F53-F57 HydrophobicContact CB-CD2 3.94Å; F53-F57 HydrophobicContact CB-CE2 4.11Å; F53-F57 HydrophobicContact CD1-CE2 4.2Å; F53-F57 HydrophobicContact CG-CE2 4.34Å; F53-F57 VanDerWaalsContact O-CB 3.27Å; F53-F57 WeakPolarHBondContact O-CB 3.13Å; F53-F57 WeakPolarHBondContact O-CD2 3.47Å; F53-F57 PolarHBondContact O-N 3.04Å; G55-F57 PolarHBondContact O-N 3.47Å; F57-L59 PolarHBondContact O-N 3.26Å; F57-G60 PolarHBondContact O-N 2.85Å; F57-I61 VanDerWaalsContact O-CG1 3.26Å; F57-I61 WeakPolarHBondContact O-CG1 3.3Å; F57-I61 WeakPolarHBondContact O-CG2 3.14Å; F57-I61 PolarHBondContact O-N 3.01Å |
| 58 | T | 94.1 | Very high | 92.4 | Very high | 66 Ų | 66 | 98.8 Ų | 98.8 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 178.5 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | F54 G55 I61 M62 | F54-T58 WeakPolarHBondContact O-CB 3.09Å; F54-T58 PolarHBondContact O-N 3.48Å; F54-T58 PolarHBondContact O-OG1 3.24Å; G55-T58 PolarHBondContact O-N 2.8Å; T58-I61 WeakPolarHBondContact O-CG1 3.34Å; T58-M62 PolarHBondContact O-N 2.99Å |
| 59 | L | 94.3 | Very high | 91.3 | Very high | 103 Ų | 103 | 98.3 Ų | 98.3 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.5 | -36.7 | 173.9 | -84.3 | 73.9 | 0 | 0 | 0 | 111.5 | G55 F57 M62 L63 | G55-L59 WeakPolarHBondContact O-CD1 3.31Å; G55-L59 PolarHBondContact O-N 3.49Å; F57-L59 PolarHBondContact O-N 3.26Å; L59-M62 PolarHBondContact O-N 3.45Å; L59-L63 WeakPolarHBondContact O-CB 3.41Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 2.68Å |
| 60 | G | 95.3 | Very high | 89.8 | Confident | 17 Ų | 17 | 102.3 Ų | 102.3 | 18% | 0.175 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F56 F57 M62 S64 | F56-G60 WeakPolarHBondContact O-CA 3.35Å; F56-G60 PolarHBondContact O-N 2.82Å; F57-G60 PolarHBondContact O-N 2.85Å; G60-M62 VanDerWaalsContact C-N 3.34Å; G60-S64 WeakPolarHBondContact O-CB 3.35Å; G60-S64 PolarHBondContact O-N 3.33Å; G60-S64 PolarHBondContact O-OG 3.49Å |
| 61 | I | 94.3 | Very high | 88.3 | Confident | 112 Ų | 112 | 105.4 Ų | 105.4 | 57% | 0.574 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | 174.1 | 66.6 | -175.8 | 0 | 0 | 0 | 110.9 | F57 T58 S64 Y65 | F57-I61 VanDerWaalsContact O-CG1 3.26Å; F57-I61 WeakPolarHBondContact O-CG1 3.3Å; F57-I61 WeakPolarHBondContact O-CG2 3.14Å; F57-I61 PolarHBondContact O-N 3.01Å; T58-I61 WeakPolarHBondContact O-CG1 3.34Å; I61-S64 PolarHBondContact O-N 3.42Å; I61-Y65 VanDerWaalsContact O-CB 3.3Å; I61-Y65 WeakPolarHBondContact O-CB 3.26Å; I61-Y65 PolarHBondContact O-N 3.48Å |
| 62 | M | 93.3 | Very high | 86.5 | Confident | 110 Ų | 110 | 105.7 Ų | 105.7 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 177.1 | -173.5 | 174.8 | 70.7 | 0 | 0 | 111.8 | T58 L59 G60 Y65 I66 | T58-M62 PolarHBondContact O-N 2.99Å; L59-M62 PolarHBondContact O-N 3.45Å; G60-M62 VanDerWaalsContact C-N 3.34Å; M62-Y65 WeakPolarHBondContact O-CB 3.49Å; M62-Y65 PolarHBondContact O-N 3.34Å; M62-I66 HydrophobicContact CG-CD1 4.34Å; M62-I66 WeakPolarHBondContact O-CG1 3.33Å; M62-I66 PolarHBondContact O-N 2.93Å |
| 63 | L | 91.1 | Very high | 84.8 | Confident | 109 Ų | 109 | 111.1 Ų | 111.1 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.8 | -40 | 175.3 | -72.6 | 172.3 | 0 | 0 | 0 | 111.7 | L59 Y65 I66 R67 | L59-L63 WeakPolarHBondContact O-CB 3.41Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 2.68Å; L63-Y65 VanDerWaalsContact C-N 3.29Å; L63-Y65 PolarHBondContact O-N 3.43Å; L63-I66 PolarHBondContact O-N 2.72Å; L63-R67 WeakPolarHBondContact O-CB 3.42Å; L63-R67 PolarHBondContact O-N 3.03Å |
| 64 | S | 91.6 | Very high | 83.2 | Confident | 77 Ų | 77 | 108.7 Ų | 108.7 | 54% | 0.538 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 174 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | G60 I61 R67 S68 | G60-S64 WeakPolarHBondContact O-CB 3.35Å; G60-S64 PolarHBondContact O-N 3.33Å; G60-S64 PolarHBondContact O-OG 3.49Å; I61-S64 PolarHBondContact O-N 3.42Å; S64-R67 PolarHBondContact O-N 2.81Å; S64-S68 VanDerWaalsContact O-CB 3.24Å; S64-S68 WeakPolarHBondContact O-CB 2.98Å; S64-S68 PolarHBondContact O-N 3.15Å |
| 65 | Y | 88.1 | Confident | 81.6 | Confident | 140 Ų | 140 | 110 Ų | 110 | 55% | 0.549 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -48.8 | 175.4 | 179.6 | -106.5 | 0 | 0 | 0 | 111.9 | I61 M62 L63 R67 S68 K69 | I61-Y65 VanDerWaalsContact O-CB 3.3Å; I61-Y65 WeakPolarHBondContact O-CB 3.26Å; I61-Y65 PolarHBondContact O-N 3.48Å; M62-Y65 WeakPolarHBondContact O-CB 3.49Å; M62-Y65 PolarHBondContact O-N 3.34Å; L63-Y65 VanDerWaalsContact C-N 3.29Å; L63-Y65 PolarHBondContact O-N 3.43Å; Y65-R67 VanDerWaalsContact C-N 3.27Å; Y65-R67 PolarHBondContact O-N 3.38Å; Y65-S68 PolarHBondContact O-N 3.31Å; Y65-K69 HydrophobicContact CD1-CD 4.47Å; Y65-K69 HydrophobicContact CD2-CG 4.36Å; Y65-K69 HydrophobicContact CE1-CD 3.79Å; Y65-K69 HydrophobicContact CE1-CG 4.38Å; Y65-K69 HydrophobicContact CE2-CD 3.91Å; Y65-K69 HydrophobicContact CE2-CG 4.08Å; Y65-K69 VanDerWaalsContact CZ-CD 3.49Å; Y65-K69 WeakPolarHBondContact O-CG 3.43Å; Y65-K69 PolarHBondContact O-N 2.76Å |
| 66 | I | 87.8 | Confident | 80.4 | Confident | 93 Ų | 93 | 111.4 Ų | 111.4 | 48% | 0.477 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 176.2 | -66 | 163.1 | 0 | 0 | 0 | 110.8 | M62 L63 K70 | M62-I66 HydrophobicContact CG-CD1 4.34Å; M62-I66 WeakPolarHBondContact O-CG1 3.33Å; M62-I66 PolarHBondContact O-N 2.93Å; L63-I66 PolarHBondContact O-N 2.72Å; I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 PolarHBondContact O-N 3.39Å |
| 67 | R | 82.4 | Confident | 79.1 | Confident | 206 Ų | 206 | 109 Ų | 109 | 78% | 0.777 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.9 | -40.2 | 179 | -160.9 | -175.9 | -155.3 | 171.3 | 6.3 | 112.1 | L63 S64 Y65 K70 L71 | L63-R67 WeakPolarHBondContact O-CB 3.42Å; L63-R67 PolarHBondContact O-N 3.03Å; S64-R67 PolarHBondContact O-N 2.81Å; Y65-R67 VanDerWaalsContact C-N 3.27Å; Y65-R67 PolarHBondContact O-N 3.38Å; R67-K70 PolarHBondContact O-N 2.95Å; R67-L71 PolarHBondContact O-N 3.33Å; R67-L71 VanDerWaalsContact O-N 3.14Å |
| 68 | S | 76.5 | Confident | 77.4 | Confident | 57 Ų | 57 | 110.8 Ų | 110.8 | 40% | 0.399 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.7 | -51.8 | 176.9 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | S64 Y65 K70 L71 E72 | S64-S68 VanDerWaalsContact O-CB 3.24Å; S64-S68 WeakPolarHBondContact O-CB 2.98Å; S64-S68 PolarHBondContact O-N 3.15Å; Y65-S68 PolarHBondContact O-N 3.31Å; S68-K70 PolarHBondContact O-N 2.95Å; S68-L71 PolarHBondContact O-N 3.3Å; S68-E72 VanDerWaalsContact O-CG 3.3Å; S68-E72 WeakPolarHBondContact O-CG 3.34Å; S68-E72 PolarHBondContact O-N 3.47Å; S68-E72 PolarHBondContact OG-OE1 3.33Å |
| 69 | K | 69.5 | Low | 75.8 | Confident | 107 Ų | 107 | 110.6 Ų | 110.6 | 47% | 0.465 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.1 | -30.9 | 179.2 | -64.5 | -153.5 | 85.5 | 167.6 | 0 | 113.4 | Y65 L71 | Y65-K69 HydrophobicContact CD1-CD 4.47Å; Y65-K69 HydrophobicContact CD2-CG 4.36Å; Y65-K69 HydrophobicContact CE1-CD 3.79Å; Y65-K69 HydrophobicContact CE1-CG 4.38Å; Y65-K69 HydrophobicContact CE2-CD 3.91Å; Y65-K69 HydrophobicContact CE2-CG 4.08Å; Y65-K69 VanDerWaalsContact CZ-CD 3.49Å; Y65-K69 WeakPolarHBondContact O-CG 3.43Å; Y65-K69 PolarHBondContact O-N 2.76Å; K69-L71 VanDerWaalsContact C-N 3.31Å |
| 70 | K | 63.8 | Low | 74.3 | Confident | 181 Ų | 181 | 109.4 Ų | 109.4 | 79% | 0.787 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.1 | -24.2 | 175 | -100.1 | -161.9 | 157.7 | -166.3 | 0 | 113.4 | I66 R67 S68 | I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 PolarHBondContact O-N 3.39Å; R67-K70 PolarHBondContact O-N 2.95Å; S68-K70 PolarHBondContact O-N 2.95Å |
| 71 | L | 63.1 | Low | 72.4 | Confident | 128 Ų | 128 | 118.6 Ų | 118.6 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -94.1 | -25.6 | 179.8 | -165.7 | 64.2 | 0 | 0 | 0 | 112.6 | R67 S68 K69 H73 S74 | R67-L71 PolarHBondContact O-N 3.33Å; R67-L71 VanDerWaalsContact O-N 3.14Å; S68-L71 PolarHBondContact O-N 3.3Å; K69-L71 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 3.28Å; L71-H73 VanDerWaalsContact O-N 3.11Å; L71-S74 PolarHBondContact O-N 3.41Å; L71-S74 VanDerWaalsContact O-N 3.12Å |
| 72 | E | 59.3 | Low | 70.6 | Confident | 118 Ų | 118 | 119 Ų | 119 | 55% | 0.551 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -18.5 | 178.2 | -78.1 | 160.7 | -151.7 | 0 | 0 | 114.6 | S68 | S68-E72 VanDerWaalsContact O-CG 3.3Å; S68-E72 WeakPolarHBondContact O-CG 3.34Å; S68-E72 PolarHBondContact O-N 3.47Å; S68-E72 PolarHBondContact OG-OE1 3.33Å |
| 73 | H | 58.8 | Low | 69.1 | Low | 159 Ų | 159 | 119.7 Ų | 119.7 | 74% | 0.736 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 17.9 | 178.6 | -84.7 | 65.5 | 0 | 0 | 0 | 113.5 | L71 H75 | L71-H73 PolarHBondContact O-N 3.28Å; L71-H73 VanDerWaalsContact O-N 3.11Å; H73-H75 PolarHBondContact O-N 2.82Å |
| 74 | S | 62 | Low | 67.5 | Low | 54 Ų | 54 | 116.6 Ų | 116.6 | 38% | 0.378 | 57% | 0.567 | S | S | . | * | trans | -73.9 | 80.9 | 174.1 | -160.3 | 0 | 0 | 0 | 0 | 109.7 | L71 D76 | L71-S74 PolarHBondContact O-N 3.41Å; L71-S74 VanDerWaalsContact O-N 3.12Å; S74-D76 PolarHBondContact O-N 2.93Å | ||
| 75 | H | 62.3 | Low | 65.9 | Low | 166 Ų | 166 | 117.5 Ų | 117.5 | 77% | 0.769 | 57% | 0.566 | S | S | * | * | trans | -69.1 | 54.3 | 160.6 | -89.7 | -65 | 0 | 0 | 0 | 109.5 | H73 | H73-H75 PolarHBondContact O-N 2.82Š| ||
| 76 | D | 70.6 | Confident | 64.6 | Low | 62 Ų | 62 | 113.3 Ų | 113.3 | 33% | 0.332 | 56% | 0.56 | S | S | . | * | trans | -74.7 | 134.4 | 171.1 | 93.1 | 39 | 0 | 0 | 0 | 108.3 | S74 F78 N79 V80 | S74-D76 PolarHBondContact O-N 2.93Å; D76-F78 PolarHBondContact O-N 2.67Å; D76-F78 VanDerWaalsContact O-N 3.1Å; D76-F78 WeakPolarHBondContact OD1-CA 3.24Å; D76-F78 WeakPolarHBondContact OD1-CB 3.4Å; D76-F78 PolarHBondContact OD1-N 2.74Å; D76-N79 PolarHBondContact O-N 3.4Å; D76-N79 WeakPolarHBondContact OD1-CB 3.44Å; D76-N79 PolarHBondContact OD1-N 3.22Å; D76-V80 WeakPolarHBondContact O-CG2 3.17Å | ||
| 77 | P | 66.7 | Low | 63.2 | Low | 95 Ų | 95 | 117.4 Ų | 117.4 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -6.6 | -175.8 | 25.4 | -32.8 | 0 | 0 | 0 | 113.5 | ||
| 78 | F | 61.6 | Low | 62.4 | Low | 167 Ų | 167 | 114.8 Ų | 114.8 | 73% | 0.732 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -24.2 | 178 | -61.9 | -75.6 | 0 | 0 | 0 | 112.5 | D76 I82 | D76-F78 PolarHBondContact O-N 2.67Å; D76-F78 VanDerWaalsContact O-N 3.1Å; D76-F78 WeakPolarHBondContact OD1-CA 3.24Å; D76-F78 WeakPolarHBondContact OD1-CB 3.4Å; D76-F78 PolarHBondContact OD1-N 2.74Å; F78-I82 VanDerWaalsContact O-CD1 3.3Å; F78-I82 WeakPolarHBondContact O-CD1 3.34Å; F78-I82 WeakPolarHBondContact O-CG1 3.37Å |
| 79 | N | 59.2 | Low | 61.8 | Low | 62 Ų | 62 | 118.6 Ų | 118.6 | 33% | 0.332 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | -30.7 | 178.2 | -155.3 | 50.1 | 0 | 0 | 0 | 111.6 | D76 Y81 I82 E83 | D76-N79 PolarHBondContact O-N 3.4Å; D76-N79 WeakPolarHBondContact OD1-CB 3.44Å; D76-N79 PolarHBondContact OD1-N 3.22Å; N79-Y81 PolarHBondContact O-N 3.3Å; N79-I82 PolarHBondContact O-N 3.31Å; N79-E83 PolarHBondContact ND2-OE1 3.46Å; N79-E83 WeakPolarHBondContact O-CG 3.14Å; N79-E83 PolarHBondContact O-N 3.05Å |
| 80 | V | 62.8 | Low | 61.6 | Low | 78 Ų | 78 | 120.4 Ų | 120.4 | 47% | 0.473 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.1 | -22.6 | -176.8 | 174.1 | 0 | 0 | 0 | 0 | 114 | D76 | D76-V80 WeakPolarHBondContact O-CG2 3.17Š|
| 81 | Y | 56.2 | Low | 61.9 | Low | 209 Ų | 209 | 116 Ų | 116 | 82% | 0.82 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -8.9 | 176.4 | -61.8 | -79.3 | 0 | 0 | 0 | 114.1 | N79 | N79-Y81 PolarHBondContact O-N 3.3Š|
| 82 | I | 56.9 | Low | 62.5 | Low | 120 Ų | 120 | 116.6 Ų | 116.6 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -17.3 | 176.8 | -57.6 | 176.8 | 0 | 0 | 0 | 111 | F78 N79 S84 | F78-I82 VanDerWaalsContact O-CD1 3.3Å; F78-I82 WeakPolarHBondContact O-CD1 3.34Å; F78-I82 WeakPolarHBondContact O-CG1 3.37Å; N79-I82 PolarHBondContact O-N 3.31Å; I82-S84 PolarHBondContact O-N 2.81Å; I82-S84 PolarHBondContact O-OG 3.13Å; I82-S84 VanDerWaalsContact O-OG 3.07Å |
| 83 | E | 60.3 | Low | 63.2 | Low | 126 Ų | 126 | 113.8 Ų | 113.8 | 59% | 0.589 | 56% | 0.563 | S | S | * | * | trans | -66 | 62.5 | 167.6 | -71.7 | -163.9 | -136.5 | 0 | 0 | 111.7 | N79 D85 | N79-E83 PolarHBondContact ND2-OE1 3.46Å; N79-E83 WeakPolarHBondContact O-CG 3.14Å; N79-E83 PolarHBondContact O-N 3.05Å; E83-D85 PolarHBondContact O-N 3.38Å | ||
| 84 | S | 57.7 | Low | 64.1 | Low | 43 Ų | 43 | 112.5 Ų | 112.5 | 30% | 0.301 | 56% | 0.556 | S | S | . | * | trans | -70.2 | 76 | 158.3 | 51.7 | 0 | 0 | 0 | 0 | 107.3 | I82 A86 W87 Q88 | I82-S84 PolarHBondContact O-N 2.81Å; I82-S84 PolarHBondContact O-OG 3.13Å; I82-S84 VanDerWaalsContact O-OG 3.07Å; S84-A86 PolarHBondContact O-N 2.73Å; S84-W87 PolarHBondContact O-N 3.42Å; S84-W87 WeakPolarHBondContact OG-CB 3.34Å; S84-Q88 PolarHBondContact O-N 2.97Å | ||
| 85 | D | 59.3 | Low | 64.9 | Low | 97 Ų | 97 | 116.4 Ų | 116.4 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -48.8 | -22.3 | 160.6 | -143.5 | 30.7 | 0 | 0 | 0 | 110.7 | E83 K89 | E83-D85 PolarHBondContact O-N 3.38Å; D85-K89 WeakPolarHBondContact O-CB 3.43Å; D85-K89 WeakPolarHBondContact O-CD 3.44Å; D85-K89 VanDerWaalsContact O-CG 3.3Å; D85-K89 WeakPolarHBondContact O-CG 3.3Å; D85-K89 PolarHBondContact O-N 3.42Å; D85-K89 IonicContact OD2-NZ 2.74Å; D85-K89 PolarHBondContact OD2-NZ 2.95Å |
| 86 | A | 60.6 | Low | 65.8 | Low | 52 Ų | 52 | 114.4 Ų | 114.4 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.2 | -36.3 | 168 | 0 | 0 | 0 | 0 | 0 | 115.9 | S84 K90 | S84-A86 PolarHBondContact O-N 2.73Å; A86-K90 WeakPolarHBondContact O-CB 3.3Å; A86-K90 VanDerWaalsContact O-CD 3.29Å; A86-K90 WeakPolarHBondContact O-CD 3.2Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å; A86-K90 PolarHBondContact O-N 2.97Å |
| 87 | W | 58.1 | Low | 66.1 | Low | 179 Ų | 179 | 114.2 Ų | 114.2 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -79.9 | -45.7 | 178.4 | -77.2 | 43.2 | 0 | 0 | 0 | 110.5 | S84 K89 K90 D91 | S84-W87 PolarHBondContact O-N 3.42Å; S84-W87 WeakPolarHBondContact OG-CB 3.34Å; W87-K89 VanDerWaalsContact C-N 3.34Å; W87-K89 PolarHBondContact O-N 2.95Å; W87-K90 PolarHBondContact O-N 3.22Å; W87-D91 VanDerWaalsContact O-CB 3.3Å; W87-D91 WeakPolarHBondContact O-CB 3.3Å; W87-D91 PolarHBondContact O-N 2.78Å |
| 88 | Q | 64.5 | Low | 66.8 | Low | 151 Ų | 151 | 116.3 Ų | 116.3 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -55.3 | -44.3 | 175.8 | -80.8 | -84.1 | -30.5 | 0 | 0 | 112.8 | S84 K92 | S84-Q88 PolarHBondContact O-N 2.97Å; Q88-K92 VanDerWaalsContact O-CB 3.31Å; Q88-K92 WeakPolarHBondContact O-CB 3.45Å; Q88-K92 PolarHBondContact O-N 2.92Å |
| 89 | K | 65.4 | Low | 67.7 | Low | 136 Ų | 136 | 111.3 Ų | 111.3 | 59% | 0.591 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.1 | -40.3 | 178.7 | -73.1 | 170.6 | -171.7 | 155.8 | 0 | 112.9 | D85 W87 A93 | D85-K89 WeakPolarHBondContact O-CB 3.43Å; D85-K89 WeakPolarHBondContact O-CD 3.44Å; D85-K89 VanDerWaalsContact O-CG 3.3Å; D85-K89 WeakPolarHBondContact O-CG 3.3Å; D85-K89 PolarHBondContact O-N 3.42Å; D85-K89 IonicContact OD2-NZ 2.74Å; D85-K89 PolarHBondContact OD2-NZ 2.95Å; W87-K89 VanDerWaalsContact C-N 3.34Å; W87-K89 PolarHBondContact O-N 2.95Å; K89-A93 PolarHBondContact O-N 3.3Å |
| 90 | K | 65.3 | Low | 68.7 | Low | 145 Ų | 145 | 114.6 Ų | 114.6 | 63% | 0.63 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.6 | -44.2 | 178.4 | -74.7 | 175.1 | -175 | 177 | 0 | 111.4 | A86 W87 K92 A93 F94 | A86-K90 WeakPolarHBondContact O-CB 3.3Å; A86-K90 VanDerWaalsContact O-CD 3.29Å; A86-K90 WeakPolarHBondContact O-CD 3.2Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å; A86-K90 PolarHBondContact O-N 2.97Å; W87-K90 PolarHBondContact O-N 3.22Å; K90-K92 VanDerWaalsContact C-N 3.33Å; K90-K92 PolarHBondContact O-N 3.23Å; K90-A93 PolarHBondContact O-N 2.76Å; K90-F94 WeakPolarHBondContact O-CB 3.37Å; K90-F94 PolarHBondContact O-N 3.32Å |
| 91 | D | 69.8 | Low | 69.3 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 48% | 0.481 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.6 | -34 | 179.1 | -72.8 | -18.5 | 0 | 0 | 0 | 111.6 | W87 F94 F95 | W87-D91 VanDerWaalsContact O-CB 3.3Å; W87-D91 WeakPolarHBondContact O-CB 3.3Å; W87-D91 PolarHBondContact O-N 2.78Å; D91-F94 PolarHBondContact O-N 2.69Å; D91-F95 WeakPolarHBondContact O-CA 3.48Å; D91-F95 WeakPolarHBondContact O-CB 3.29Å; D91-F95 PolarHBondContact O-N 2.95Å |
| 92 | K | 74.4 | Confident | 70.1 | Confident | 139 Ų | 139 | 109.8 Ų | 109.8 | 60% | 0.604 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -44.5 | 177 | -166.4 | -177.2 | -176.5 | -160.3 | 0 | 112.5 | Q88 K90 Q96 | Q88-K92 VanDerWaalsContact O-CB 3.31Å; Q88-K92 WeakPolarHBondContact O-CB 3.45Å; Q88-K92 PolarHBondContact O-N 2.92Å; K90-K92 VanDerWaalsContact C-N 3.33Å; K90-K92 PolarHBondContact O-N 3.23Å; K92-Q96 WeakPolarHBondContact O-CB 3.48Å; K92-Q96 VanDerWaalsContact O-CG 3.31Å; K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 3.18Å |
| 93 | A | 75.3 | Confident | 70.7 | Confident | 60 Ų | 60 | 107.8 Ų | 107.8 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K89 K90 Q96 A97 | K89-A93 PolarHBondContact O-N 3.3Å; K90-A93 PolarHBondContact O-N 2.76Å; A93-Q96 PolarHBondContact O-N 2.95Å; A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 2.91Å |
| 94 | F | 76.6 | Confident | 71 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 58% | 0.575 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.5 | -42.3 | 175.6 | -175.9 | -100.8 | 0 | 0 | 0 | 111.9 | K90 D91 A97 R98 | K90-F94 WeakPolarHBondContact O-CB 3.37Å; K90-F94 PolarHBondContact O-N 3.32Å; D91-F94 PolarHBondContact O-N 2.69Å; F94-A97 PolarHBondContact O-N 3.47Å; F94-R98 HydrophobicContact CE1-CG 3.97Å; F94-R98 HydrophobicContact CZ-CG 4.1Å; F94-R98 WeakPolarHBondContact O-CB 3.41Å; F94-R98 PolarHBondContact O-N 2.98Å |
| 95 | F | 79.6 | Confident | 71.3 | Confident | 137 Ų | 137 | 112.7 Ų | 112.7 | 60% | 0.601 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.9 | -41.2 | 178.1 | -173.8 | -97.7 | 0 | 0 | 0 | 111.5 | D91 A97 R98 V99 | D91-F95 WeakPolarHBondContact O-CA 3.48Å; D91-F95 WeakPolarHBondContact O-CB 3.29Å; D91-F95 PolarHBondContact O-N 2.95Å; F95-A97 VanDerWaalsContact C-N 3.34Å; F95-A97 PolarHBondContact O-N 3.45Å; F95-R98 PolarHBondContact O-N 3.12Å; F95-V99 HydrophobicContact CD1-CG2 3.77Å; F95-V99 HydrophobicContact CD2-CG2 4.42Å; F95-V99 HydrophobicContact CE1-CG2 3.45Å; F95-V99 VanDerWaalsContact CE1-CG2 3.45Å; F95-V99 HydrophobicContact CE2-CG2 4.15Å; F95-V99 HydrophobicContact CG-CG2 4.24Å; F95-V99 HydrophobicContact CZ-CG2 3.66Å; F95-V99 VanDerWaalsContact O-CB 3.31Å; F95-V99 WeakPolarHBondContact O-CB 3.39Å; F95-V99 WeakPolarHBondContact O-CG2 3.43Å; F95-V99 PolarHBondContact O-N 3.14Å |
| 96 | Q | 80.1 | Confident | 71.2 | Confident | 123 Ų | 123 | 111.8 Ų | 111.8 | 58% | 0.575 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.4 | -41.8 | 173.9 | -77.2 | -178.2 | -22.3 | 0 | 0 | 112 | K92 A93 L100 | K92-Q96 WeakPolarHBondContact O-CB 3.48Å; K92-Q96 VanDerWaalsContact O-CG 3.31Å; K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 3.18Å; A93-Q96 PolarHBondContact O-N 2.95Å; Q96-L100 WeakPolarHBondContact O-CB 3.44Å; Q96-L100 PolarHBondContact O-N 3.42Å |
| 97 | A | 78.4 | Confident | 70.9 | Confident | 58 Ų | 58 | 119.5 Ų | 119.5 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.8 | -45.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A93 F94 F95 L100 E101 | A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 2.91Å; F94-A97 PolarHBondContact O-N 3.47Å; F95-A97 VanDerWaalsContact C-N 3.34Å; F95-A97 PolarHBondContact O-N 3.45Å; A97-L100 PolarHBondContact O-N 3.3Å; A97-E101 WeakPolarHBondContact O-CB 3.29Å; A97-E101 PolarHBondContact O-N 3.11Å |
| 98 | R | 80.2 | Confident | 71 | Confident | 139 Ų | 139 | 115.8 Ų | 115.8 | 53% | 0.525 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.2 | -34.9 | 177.1 | -104.8 | -109.7 | -76.1 | -169.2 | -5.5 | 113.5 | F94 F95 S102 | F94-R98 HydrophobicContact CE1-CG 3.97Å; F94-R98 HydrophobicContact CZ-CG 4.1Å; F94-R98 WeakPolarHBondContact O-CB 3.41Å; F94-R98 PolarHBondContact O-N 2.98Å; F95-R98 PolarHBondContact O-N 3.12Å; R98-S102 WeakPolarHBondContact O-CA 3.44Å; R98-S102 WeakPolarHBondContact O-CB 3.32Å; R98-S102 PolarHBondContact O-N 2.91Å; R98-S102 PolarHBondContact O-OG 3.11Å |
| 99 | V | 81.9 | Confident | 70.4 | Confident | 62 Ų | 62 | 114.6 Ų | 114.6 | 38% | 0.376 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.2 | -42.1 | 176.3 | 167.4 | 0 | 0 | 0 | 0 | 109.9 | F95 E101 S102 C103 | F95-V99 HydrophobicContact CD1-CG2 3.77Å; F95-V99 HydrophobicContact CD2-CG2 4.42Å; F95-V99 HydrophobicContact CE1-CG2 3.45Å; F95-V99 VanDerWaalsContact CE1-CG2 3.45Å; F95-V99 HydrophobicContact CE2-CG2 4.15Å; F95-V99 HydrophobicContact CG-CG2 4.24Å; F95-V99 HydrophobicContact CZ-CG2 3.66Å; F95-V99 VanDerWaalsContact O-CB 3.31Å; F95-V99 WeakPolarHBondContact O-CB 3.39Å; F95-V99 WeakPolarHBondContact O-CG2 3.43Å; F95-V99 PolarHBondContact O-N 3.14Å; V99-E101 VanDerWaalsContact C-N 3.35Å; V99-S102 CarbonylContact O-C 3.58Å; V99-S102 PolarHBondContact O-N 2.94Å; V99-C103 WeakPolarHBondContact O-CB 3.37Å; V99-C103 PolarHBondContact O-N 2.99Å; V99-C103 PolarHBondContact O-SG 3.15Å |
| 100 | L | 79 | Confident | 70 | Confident | 132 Ų | 132 | 115.6 Ų | 115.6 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.6 | -43.8 | 174.7 | -178.9 | 64.9 | 0 | 0 | 0 | 111.4 | Q96 A97 C103 R104 | Q96-L100 WeakPolarHBondContact O-CB 3.44Å; Q96-L100 PolarHBondContact O-N 3.42Å; A97-L100 PolarHBondContact O-N 3.3Å; L100-C103 PolarHBondContact O-N 3.07Å; L100-R104 PolarHBondContact O-N 3.41Å |
| 101 | E | 75.3 | Confident | 69.6 | Low | 131 Ų | 131 | 113.2 Ų | 113.2 | 61% | 0.612 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.9 | -44.2 | 175.2 | -171.6 | 179.9 | -166 | 0 | 0 | 111.7 | A97 V99 C103 R104 A105 | A97-E101 WeakPolarHBondContact O-CB 3.29Å; A97-E101 PolarHBondContact O-N 3.11Å; V99-E101 VanDerWaalsContact C-N 3.35Å; E101-C103 PolarHBondContact O-N 2.67Å; E101-R104 CarbonylContact O-C 2.89Å; E101-R104 WeakPolarHBondContact O-CB 3.41Å; E101-R104 PolarHBondContact O-N 3.09Å; E101-A105 VanDerWaalsContact O-CB 3.3Å; E101-A105 WeakPolarHBondContact O-CB 3.39Å; E101-A105 PolarHBondContact O-N 3.29Å |
| 102 | S | 74.3 | Confident | 68.9 | Low | 54 Ų | 54 | 117.7 Ų | 117.7 | 38% | 0.378 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.8 | -32 | 174.2 | -78.5 | 0 | 0 | 0 | 0 | 112.6 | R98 V99 R104 A105 C106 | R98-S102 WeakPolarHBondContact O-CA 3.44Å; R98-S102 WeakPolarHBondContact O-CB 3.32Å; R98-S102 PolarHBondContact O-N 2.91Å; R98-S102 PolarHBondContact O-OG 3.11Å; V99-S102 CarbonylContact O-C 3.58Å; V99-S102 PolarHBondContact O-N 2.94Å; S102-R104 VanDerWaalsContact C-N 3.35Å; S102-A105 CarbonylContact O-C 3.57Å; S102-A105 PolarHBondContact O-N 3.38Å; S102-C106 WeakPolarHBondContact O-CA 3.3Å; S102-C106 WeakPolarHBondContact O-CB 3.36Å; S102-C106 PolarHBondContact O-N 2.89Å; S102-C106 PolarHBondContact O-SG 3.29Å |
| 103 | C | 68.4 | Low | 67.9 | Low | 79 Ų | 79 | 117.2 Ų | 117.2 | 53% | 0.534 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.2 | -38.3 | 172.9 | -76.2 | 0 | 0 | 0 | 0 | 111 | V99 L100 E101 Y107 | V99-C103 WeakPolarHBondContact O-CB 3.37Å; V99-C103 PolarHBondContact O-N 2.99Å; V99-C103 PolarHBondContact O-SG 3.15Å; L100-C103 PolarHBondContact O-N 3.07Å; E101-C103 PolarHBondContact O-N 2.67Å; C103-Y107 PolarHBondContact O-N 3.27Å |
| 104 | R | 66.8 | Low | 66.7 | Low | 217 Ų | 217 | 117 Ų | 117 | 82% | 0.819 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.9 | -38.8 | 173.6 | -166.7 | 179.8 | -177.3 | -176.3 | -0.1 | 111.8 | L100 E101 S102 Y107 | L100-R104 PolarHBondContact O-N 3.41Å; E101-R104 CarbonylContact O-C 2.89Å; E101-R104 WeakPolarHBondContact O-CB 3.41Å; E101-R104 PolarHBondContact O-N 3.09Å; S102-R104 VanDerWaalsContact C-N 3.35Å; R104-Y107 WeakPolarHBondContact O-CB 3.37Å |
| 105 | A | 64.1 | Low | 65.5 | Low | 55 Ų | 55 | 117.5 Ų | 117.5 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -78.4 | -27.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E101 S102 Y107 V108 I109 | E101-A105 VanDerWaalsContact O-CB 3.3Å; E101-A105 WeakPolarHBondContact O-CB 3.39Å; E101-A105 PolarHBondContact O-N 3.29Å; S102-A105 CarbonylContact O-C 3.57Å; S102-A105 PolarHBondContact O-N 3.38Å; A105-Y107 PolarHBondContact O-N 2.83Å; A105-V108 CarbonylContact O-C 3.56Å; A105-V108 WeakPolarHBondContact O-CA 3.32Å; A105-V108 PolarHBondContact O-N 2.82Å; A105-V108 VanDerWaalsContact O-O 3.1Å; A105-I109 PolarHBondContact O-N 3.35Å; A105-I109 VanDerWaalsContact O-N 3.14Å |
| 106 | C | 57.1 | Low | 64.2 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 52% | 0.52 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.2 | -25.5 | 173.1 | -87.6 | 0 | 0 | 0 | 0 | 112 | S102 V108 I109 | S102-C106 WeakPolarHBondContact O-CA 3.3Å; S102-C106 WeakPolarHBondContact O-CB 3.36Å; S102-C106 PolarHBondContact O-N 2.89Å; S102-C106 PolarHBondContact O-SG 3.29Å; C106-V108 PolarHBondContact O-N 2.78Å; C106-I109 HydrophobicContact CB-CD1 4.1Å; C106-I109 PolarHBondContact O-N 3.44Å; C106-I109 WeakPolarHBondContact SG-CD1 3.28Å |
| 107 | Y | 55 | Low | 62.8 | Low | 215 Ų | 215 | 121.9 Ų | 121.9 | 84% | 0.843 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -20.2 | 169.2 | -138.3 | -90.6 | 0 | 0 | 0 | 112.2 | C103 R104 A105 | C103-Y107 PolarHBondContact O-N 3.27Å; R104-Y107 WeakPolarHBondContact O-CB 3.37Å; A105-Y107 PolarHBondContact O-N 2.83Å |
| 108 | V | 58.7 | Low | 61.3 | Low | 101 Ų | 101 | 124.9 Ų | 124.9 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 51.8 | 176.7 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | A105 C106 E110 | A105-V108 CarbonylContact O-C 3.56Å; A105-V108 WeakPolarHBondContact O-CA 3.32Å; A105-V108 PolarHBondContact O-N 2.82Å; A105-V108 VanDerWaalsContact O-O 3.1Å; C106-V108 PolarHBondContact O-N 2.78Å; V108-E110 HydrophobicContact CG1-CB 4.38Å; V108-E110 PolarHBondContact O-N 3.35Å |
| 109 | I | 52.3 | Low | 59.8 | Low | 125 Ų | 125 | 122 Ų | 122 | 64% | 0.641 | 66% | 0.655 | S | S | * | * | trans | -76.6 | 85.3 | 156 | -73.4 | 161.1 | 0 | 0 | 0 | 105.4 | A105 C106 N111 | A105-I109 PolarHBondContact O-N 3.35Å; A105-I109 VanDerWaalsContact O-N 3.14Å; C106-I109 HydrophobicContact CB-CD1 4.1Å; C106-I109 PolarHBondContact O-N 3.44Å; C106-I109 WeakPolarHBondContact SG-CD1 3.28Å; I109-N111 PolarHBondContact O-N 3.27Å | ||
| 110 | E | 58.4 | Low | 58.1 | Low | 158 Ų | 158 | 124.9 Ų | 124.9 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | trans | -74.5 | 84 | 172.5 | -157.8 | 170.7 | -157.7 | 0 | 0 | 107.6 | V108 Q112 | V108-E110 HydrophobicContact CG1-CB 4.38Å; V108-E110 PolarHBondContact O-N 3.35Å; E110-Q112 PolarHBondContact O-N 2.69Å | ||
| 111 | N | 55.6 | Low | 56.9 | Low | 95 Ų | 95 | 127.5 Ų | 127.5 | 51% | 0.508 | 68% | 0.681 | S | S | . | * | trans | -75.3 | 99.5 | 167.9 | -178.3 | 1.1 | 0 | 0 | 0 | 107.8 | I109 V113 A114 | I109-N111 PolarHBondContact O-N 3.27Å; N111-V113 PolarHBondContact O-N 3.1Å; N111-V113 PolarHBondContact OD1-N 2.99Å; N111-A114 HydrophobicContact CB-CB 4.05Å; N111-A114 PolarHBondContact O-N 2.89Å | ||
| 112 | Q | 55.2 | Low | 56 | Low | 184 Ų | 184 | 129.4 Ų | 129.4 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -6 | 178.8 | -62.7 | -152.1 | 47.1 | 0 | 0 | 114.4 | E110 | E110-Q112 PolarHBondContact O-N 2.69Š|
| 113 | V | 54.4 | Low | 55 | Low | 129 Ų | 129 | 132.7 Ų | 132.7 | 78% | 0.782 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -3.2 | 177.3 | -166.7 | 0 | 0 | 0 | 0 | 112.6 | N111 | N111-V113 PolarHBondContact O-N 3.1Å; N111-V113 PolarHBondContact OD1-N 2.99Å |
| 114 | A | 49.6 | Very low | 54.3 | Low | 55 Ų | 55 | 137.8 Ų | 137.8 | 46% | 0.455 | 73% | 0.731 | S | S | . | * | trans | -84 | 118.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N111 E116 | N111-A114 HydrophobicContact CB-CB 4.05Å; N111-A114 PolarHBondContact O-N 2.89Å; A114-E116 PolarHBondContact O-N 3.06Å | ||
| 115 | V | 50.7 | Low | 53.8 | Low | 141 Ų | 141 | 135.1 Ų | 135.1 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | -78.2 | 69.9 | 171.4 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 116 | E | 53.7 | Low | 53.3 | Low | 164 Ų | 164 | 141.1 Ų | 141.1 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -130.2 | 117.6 | 162.2 | -70.6 | -67.6 | 156.4 | 0 | 0 | 105.5 | A114 P118 | A114-E116 PolarHBondContact O-N 3.06Å; E116-P118 WeakPolarHBondContact O-CD 3.4Å | ||
| 117 | Q | 50.4 | Low | 53.3 | Low | 189 Ų | 189 | 143.1 Ų | 143.1 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -87.8 | 111.7 | 172.8 | -69.1 | -174.1 | 12.4 | 0 | 0 | 109 | ||||
| 118 | P | 46.6 | Very low | 53.2 | Low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -98.5 | 89.7 | 152 | 31.9 | -24.9 | 0 | 0 | 0 | 108.3 | E116 T120 | E116-P118 WeakPolarHBondContact O-CD 3.4Å; P118-T120 PolarHBondContact O-N 3.47Å | ||
| 119 | A | 48.1 | Very low | 53.1 | Low | 78 Ų | 78 | 145.2 Ų | 145.2 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | trans | -66 | 121.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 120 | T | 47.3 | Very low | 53.2 | Low | 124 Ų | 124 | 146.2 Ų | 146.2 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | -169.6 | 118.4 | 72.8 | 12 | 0 | 0 | 0 | 0 | 109.4 | P118 | P118-T120 PolarHBondContact O-N 3.47Š| |||
| 121 | H | 53.4 | Low | 52.9 | Low | 186 Ų | 186 | 145.6 Ų | 145.6 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | 6.2 | 118.9 | 151.2 | -64 | -91.3 | 0 | 0 | 0 | 117.9 | ||||
| 122 | L | 56.9 | Low | 52.7 | Low | 172 Ų | 172 | 148.4 Ų | 148.4 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 120.4 | 154.6 | -84.9 | 154.2 | 0 | 0 | 0 | 108.6 | E124 | L122-E124 PolarHBondContact O-N 3.41Š|
| 123 | P | 51.9 | Low | 52.6 | Low | 122 Ų | 122 | 146.3 Ų | 146.3 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 125.1 | 178.9 | 27.3 | -30.9 | 0 | 0 | 0 | 111.2 | ||
| 124 | E | 54.9 | Low | 52.5 | Low | 187 Ų | 187 | 147.4 Ų | 147.4 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 132.4 | 169.5 | -90.8 | -113.3 | 132.1 | 0 | 0 | 111.3 | L122 | L122-E124 PolarHBondContact O-N 3.41Š|
| 125 | L | 55 | Low | 52.7 | Low | 161 Ų | 161 | 153.5 Ų | 153.5 | 84% | 0.843 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 118.4 | 170.1 | -148.1 | 100.1 | 0 | 0 | 0 | 109.1 | ||
| 126 | K | 53.7 | Low | 52.8 | Low | 181 Ų | 181 | 154.4 Ų | 154.4 | 79% | 0.787 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.4 | 177.9 | -163.4 | 170.9 | -172.5 | 176.2 | 0 | 110.1 | L128 | K126-L128 PolarHBondContact O-N 3.17Š|
| 127 | P | 56.8 | Low | 52.8 | Low | 118 Ų | 118 | 153.7 Ų | 153.7 | 77% | 0.766 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 124.8 | 176.7 | 23 | -30.1 | 0 | 0 | 0 | 109.8 | ||
| 128 | L | 52.8 | Low | 52.9 | Low | 167 Ų | 167 | 150.8 Ų | 150.8 | 87% | 0.874 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 136.9 | 170.5 | -85.3 | 142.7 | 0 | 0 | 0 | 109.1 | K126 | K126-L128 PolarHBondContact O-N 3.17Š|
| 129 | S | 58 | Low | 53.5 | Low | 193 Ų | 193 | 153.5 Ų | 153.5 | 100% | 1.35 | 86% | 0.859 | S | S | * | * | trans | -56.7 | 0 | -173.9 | -41.2 | 0 | 0 | 0 | 0 | 114 |
Retrieved 129 of 129 residues in 20.4 ms
(Link to these results)