| 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 | 46.7 | Very low | 68.1 | Low | 245 Ų | 245 | 133.4 Ų | 133.4 | 100% | 1.207 | 68% | 0.681 | S | S | * | * | 0 | 69.4 | 0 | -63.5 | 174.3 | -170.5 | 0 | 0 | 110.2 | |||||
| 2 | A | 52 | Low | 70 | Confident | 83 Ų | 83 | 130.3 Ų | 130.3 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | trans | -120.4 | 2.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3 | R | 57 | Low | 71.6 | Confident | 224 Ų | 224 | 130.7 Ų | 130.7 | 85% | 0.845 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -94.8 | -0.1 | -168.8 | -62.2 | -163.1 | 176.9 | 169.1 | 0.5 | 115.4 | ||
| 4 | T | 58.8 | Low | 73 | Confident | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -99.5 | -13.6 | -172.6 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 5 | L | 60.8 | Low | 74.3 | Confident | 120 Ų | 120 | 125.9 Ų | 125.9 | 63% | 0.628 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -88.9 | -27.4 | -176.8 | -69.4 | 170 | 0 | 0 | 0 | 113.8 | L8 T9 | L5-L8 PolarHBondContact O-N 3.4Å; L5-T9 PolarHBondContact O-N 3.43Å; L5-T9 VanDerWaalsContact O-N 3.17Å; L5-T9 PolarHBondContact O-OG1 3.39Å; L5-T9 VanDerWaalsContact O-OG1 3.1Å |
| 6 | E | 65.4 | Low | 75.6 | Confident | 117 Ų | 117 | 123.5 Ų | 123.5 | 55% | 0.547 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -58.9 | -44.2 | 178.3 | -62.4 | -169.9 | 104.5 | 0 | 0 | 114.8 | K10 | E6-K10 WeakPolarHBondContact O-CB 3.48Å; E6-K10 WeakPolarHBondContact O-CD 3.18Å; E6-K10 WeakPolarHBondContact O-CG 3.45Å; E6-K10 PolarHBondContact O-N 3.1Å; E6-K10 VanDerWaalsContact O-N 3.1Å |
| 7 | P | 75 | Confident | 76.7 | Confident | 83 Ų | 83 | 120.8 Ų | 120.8 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.8 | -32.6 | -178.6 | 24.6 | -32.6 | 0 | 0 | 0 | 113.5 | K11 | P7-K11 PolarHBondContact O-N 3.41Å |
| 8 | L | 79.4 | Confident | 77.7 | Confident | 105 Ų | 105 | 119.1 Ų | 119.1 | 55% | 0.55 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.8 | -49.2 | 177.7 | -168.4 | 88.3 | 0 | 0 | 0 | 110.8 | L5 K10 K11 I12 | L5-L8 PolarHBondContact O-N 3.4Å; L8-K10 VanDerWaalsContact C-N 3.33Å; L8-K10 PolarHBondContact O-N 2.97Å; L8-K11 WeakPolarHBondContact O-CB 3.46Å; L8-K11 PolarHBondContact O-N 2.99Å; L8-K11 VanDerWaalsContact O-N 3.09Å; L8-I12 HydrophobicContact CD2-CD1 4.29Å; L8-I12 HydrophobicContact CG-CD1 4.19Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3.38Å |
| 9 | T | 83.8 | Confident | 78.6 | Confident | 87 Ų | 87 | 116.1 Ų | 116.1 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.5 | -40.9 | 178.8 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | L5 K11 I12 F13 | L5-T9 PolarHBondContact O-N 3.43Å; L5-T9 VanDerWaalsContact O-N 3.17Å; L5-T9 PolarHBondContact O-OG1 3.39Å; L5-T9 VanDerWaalsContact O-OG1 3.1Å; T9-K11 VanDerWaalsContact C-N 3.3Å; T9-K11 PolarHBondContact O-N 3.29Å; T9-I12 PolarHBondContact O-N 3.12Å; T9-F13 VanDerWaalsContact O-CB 3.3Å; T9-F13 WeakPolarHBondContact O-CB 3.37Å; T9-F13 PolarHBondContact O-N 2.84Å |
| 10 | K | 83.7 | Confident | 79.5 | Confident | 127 Ų | 127 | 116.2 Ų | 116.2 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.9 | -35.5 | 174.8 | -74.9 | 172.4 | -174.9 | 177.7 | 0 | 112.6 | E6 L8 K14 | E6-K10 WeakPolarHBondContact O-CB 3.48Å; E6-K10 WeakPolarHBondContact O-CD 3.18Å; E6-K10 WeakPolarHBondContact O-CG 3.45Å; E6-K10 PolarHBondContact O-N 3.1Å; E6-K10 VanDerWaalsContact O-N 3.1Å; L8-K10 VanDerWaalsContact C-N 3.33Å; L8-K10 PolarHBondContact O-N 2.97Å; K10-K14 WeakPolarHBondContact O-CB 3.46Å; K10-K14 WeakPolarHBondContact O-CG 3.39Å; K10-K14 PolarHBondContact O-N 3Å; K10-K14 VanDerWaalsContact O-N 3.08Å |
| 11 | K | 86.8 | Confident | 80.2 | Confident | 164 Ų | 164 | 115 Ų | 115 | 71% | 0.713 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.8 | -42 | 177.9 | -168.1 | 175.5 | -179.8 | -178.4 | 0 | 111.8 | P7 L8 T9 K14 G15 | P7-K11 PolarHBondContact O-N 3.41Å; L8-K11 WeakPolarHBondContact O-CB 3.46Å; L8-K11 PolarHBondContact O-N 2.99Å; L8-K11 VanDerWaalsContact O-N 3.09Å; T9-K11 VanDerWaalsContact C-N 3.3Å; T9-K11 PolarHBondContact O-N 3.29Å; K11-K14 PolarHBondContact O-N 3.43Å; K11-G15 PolarHBondContact O-N 3.34Å |
| 12 | I | 90.9 | Very high | 82.6 | Confident | 97 Ų | 97 | 108 Ų | 108 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -46.1 | 175.9 | -65.2 | 168.2 | 0 | 0 | 0 | 110.3 | L8 T9 K14 G15 I16 | L8-I12 HydrophobicContact CD2-CD1 4.29Å; L8-I12 HydrophobicContact CG-CD1 4.19Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3.38Å; T9-I12 PolarHBondContact O-N 3.12Å; I12-K14 VanDerWaalsContact C-N 3.34Å; I12-K14 PolarHBondContact O-N 2.95Å; I12-G15 WeakPolarHBondContact O-CA 3.23Å; I12-G15 PolarHBondContact O-N 2.8Å; I12-I16 HydrophobicContact CG2-CD1 3.88Å; I12-I16 HydrophobicContact CG2-CG1 4.46Å; I12-I16 WeakPolarHBondContact O-CG1 3.39Å; I12-I16 PolarHBondContact O-N 2.94Å |
| 13 | F | 90.6 | Very high | 84.6 | Confident | 135 Ų | 135 | 106.2 Ų | 106.2 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.8 | -43 | 177.9 | -175.2 | -98.6 | 0 | 0 | 0 | 112.3 | T9 G15 I16 L17 | T9-F13 VanDerWaalsContact O-CB 3.3Å; T9-F13 WeakPolarHBondContact O-CB 3.37Å; T9-F13 PolarHBondContact O-N 2.84Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 3.23Å; F13-I16 PolarHBondContact O-N 3.47Å; F13-L17 WeakPolarHBondContact O-CB 3.41Å; F13-L17 PolarHBondContact O-N 3.42Å |
| 14 | K | 90.7 | Very high | 86.5 | Confident | 148 Ų | 148 | 101.4 Ų | 101.4 | 64% | 0.643 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.9 | -39.7 | 172.7 | -78.2 | -178.8 | 177.5 | -170.8 | 0 | 112.4 | K10 K11 I12 L17 V18 | K10-K14 WeakPolarHBondContact O-CB 3.46Å; K10-K14 WeakPolarHBondContact O-CG 3.39Å; K10-K14 PolarHBondContact O-N 3Å; K10-K14 VanDerWaalsContact O-N 3.08Å; K11-K14 PolarHBondContact O-N 3.43Å; I12-K14 VanDerWaalsContact C-N 3.34Å; I12-K14 PolarHBondContact O-N 2.95Å; K14-L17 PolarHBondContact O-N 3.46Å; K14-V18 VanDerWaalsContact O-CG2 3.29Å; K14-V18 WeakPolarHBondContact O-CG2 3.41Å; K14-V18 PolarHBondContact O-N 3.14Å |
| 15 | G | 93.3 | Very high | 88.2 | Confident | 42 Ų | 42 | 103.1 Ų | 103.1 | 43% | 0.433 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K11 I12 F13 V18 A19 | K11-G15 PolarHBondContact O-N 3.34Å; I12-G15 WeakPolarHBondContact O-CA 3.23Å; I12-G15 PolarHBondContact O-N 2.8Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 3.23Å; G15-V18 PolarHBondContact O-N 3.49Å; G15-A19 WeakPolarHBondContact O-CB 3.33Å; G15-A19 PolarHBondContact O-N 3.19Å |
| 16 | I | 94.3 | Very high | 89.8 | Confident | 87 Ų | 87 | 99.4 Ų | 99.4 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.1 | -66 | 166 | 0 | 0 | 0 | 110.3 | I12 F13 V18 A19 E20 | I12-I16 HydrophobicContact CG2-CD1 3.88Å; I12-I16 HydrophobicContact CG2-CG1 4.46Å; I12-I16 WeakPolarHBondContact O-CG1 3.39Å; I12-I16 PolarHBondContact O-N 2.94Å; F13-I16 PolarHBondContact O-N 3.47Å; I16-V18 VanDerWaalsContact C-N 3.32Å; I16-V18 PolarHBondContact O-N 3.14Å; I16-A19 WeakPolarHBondContact O-CB 3.24Å; I16-A19 PolarHBondContact O-N 2.96Å; I16-A19 VanDerWaalsContact O-N 3.09Å; I16-E20 HydrophobicContact CG2-CG 4.39Å; I16-E20 WeakPolarHBondContact O-CG 3.36Å; I16-E20 PolarHBondContact O-N 3.37Å |
| 17 | L | 94.3 | Very high | 91.1 | Very high | 78 Ų | 78 | 96.2 Ų | 96.2 | 41% | 0.408 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 179.3 | -173.4 | 68 | 0 | 0 | 0 | 112 | F13 K14 E20 L21 | F13-L17 WeakPolarHBondContact O-CB 3.41Å; F13-L17 PolarHBondContact O-N 3.42Å; K14-L17 PolarHBondContact O-N 3.46Å; L17-E20 PolarHBondContact O-N 3.49Å; L17-L21 HydrophobicContact CG-CD1 4.45Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 VanDerWaalsContact O-CG 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.45Å; L17-L21 PolarHBondContact O-N 3.35Å |
| 18 | V | 95.2 | Very high | 92 | Very high | 89 Ų | 89 | 100.1 Ų | 100.1 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | K14 G15 I16 L21 V22 | K14-V18 VanDerWaalsContact O-CG2 3.29Å; K14-V18 WeakPolarHBondContact O-CG2 3.41Å; K14-V18 PolarHBondContact O-N 3.14Å; G15-V18 PolarHBondContact O-N 3.49Å; I16-V18 VanDerWaalsContact C-N 3.32Å; I16-V18 PolarHBondContact O-N 3.14Å; V18-L21 PolarHBondContact O-N 3.34Å; V18-V22 HydrophobicContact CG1-CG2 4.38Å; V18-V22 VanDerWaalsContact O-CG2 3.27Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 2.97Å |
| 19 | A | 95.8 | Very high | 92.7 | Very high | 63 Ų | 63 | 101.2 Ų | 101.2 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G15 I16 V22 G23 | G15-A19 WeakPolarHBondContact O-CB 3.33Å; G15-A19 PolarHBondContact O-N 3.19Å; I16-A19 WeakPolarHBondContact O-CB 3.24Å; I16-A19 PolarHBondContact O-N 2.96Å; I16-A19 VanDerWaalsContact O-N 3.09Å; A19-V22 PolarHBondContact O-N 2.95Å; A19-G23 PolarHBondContact O-N 3.32Å |
| 20 | E | 94.9 | Very high | 93 | Very high | 118 Ų | 118 | 99.4 Ų | 99.4 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 174.6 | -73.6 | -176.8 | 141 | 0 | 0 | 111.6 | I16 L17 V22 G23 L24 | I16-E20 HydrophobicContact CG2-CG 4.39Å; I16-E20 WeakPolarHBondContact O-CG 3.36Å; I16-E20 PolarHBondContact O-N 3.37Å; L17-E20 PolarHBondContact O-N 3.49Å; E20-V22 VanDerWaalsContact C-N 3.33Å; E20-V22 PolarHBondContact O-N 3.45Å; E20-G23 PolarHBondContact O-N 3.02Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 2.99Å |
| 21 | L | 95.5 | Very high | 93.4 | Very high | 91 Ų | 91 | 97.4 Ų | 97.4 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.3 | -73.4 | 172 | 0 | 0 | 0 | 111.8 | L17 V18 L24 F25 | L17-L21 HydrophobicContact CG-CD1 4.45Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 VanDerWaalsContact O-CG 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.45Å; L17-L21 PolarHBondContact O-N 3.35Å; V18-L21 PolarHBondContact O-N 3.34Å; L21-L24 PolarHBondContact O-N 2.91Å; L21-F25 WeakPolarHBondContact O-CB 3.13Å; L21-F25 PolarHBondContact O-N 2.87Å |
| 22 | V | 96.4 | Very high | 93.6 | Very high | 98 Ų | 98 | 92 Ų | 92 | 59% | 0.594 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | V18 A19 E20 F25 G26 | V18-V22 HydrophobicContact CG1-CG2 4.38Å; V18-V22 VanDerWaalsContact O-CG2 3.27Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 2.97Å; A19-V22 PolarHBondContact O-N 2.95Å; E20-V22 VanDerWaalsContact C-N 3.33Å; E20-V22 PolarHBondContact O-N 3.45Å; V22-F25 PolarHBondContact O-N 3.46Å; V22-G26 PolarHBondContact O-N 3.05Å |
| 23 | G | 95.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 91.8 Ų | 91.8 | 46% | 0.464 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A19 E20 G26 A27 | A19-G23 PolarHBondContact O-N 3.32Å; E20-G23 PolarHBondContact O-N 3.02Å; G23-G26 PolarHBondContact O-N 3.29Å; G23-A27 PolarHBondContact O-N 3.35Å |
| 24 | L | 95.1 | Very high | 93.7 | Very high | 123 Ų | 123 | 85.4 Ų | 85.4 | 64% | 0.644 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 176.3 | -71 | 172.6 | 0 | 0 | 0 | 111.7 | E20 L21 G26 A27 Y28 | E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 2.99Å; L21-L24 PolarHBondContact O-N 2.91Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-G26 PolarHBondContact O-N 2.94Å; L24-A27 PolarHBondContact O-N 3.4Å; L24-Y28 VanDerWaalsContact O-CB 3.31Å; L24-Y28 WeakPolarHBondContact O-CB 3.31Å; L24-Y28 PolarHBondContact O-N 3.18Å |
| 25 | F | 95.4 | Very high | 93.7 | Very high | 149 Ų | 149 | 83.2 Ų | 83.2 | 65% | 0.654 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 175.4 | -106 | -89.2 | 0 | 0 | 0 | 111.9 | L21 V22 Y28 F29 | L21-F25 WeakPolarHBondContact O-CB 3.13Å; L21-F25 PolarHBondContact O-N 2.87Å; V22-F25 PolarHBondContact O-N 3.46Å; F25-Y28 PolarHBondContact O-N 2.99Å; F25-F29 WeakPolarHBondContact O-CB 3.39Å; F25-F29 PolarHBondContact O-N 3.32Å |
| 26 | G | 94.8 | Very high | 93.5 | Very high | 41 Ų | 41 | 86.8 Ų | 86.8 | 42% | 0.423 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V22 G23 L24 F29 L30 | V22-G26 PolarHBondContact O-N 3.05Å; G23-G26 PolarHBondContact O-N 3.29Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-G26 PolarHBondContact O-N 2.94Å; G26-F29 PolarHBondContact O-N 2.67Å; G26-L30 VanDerWaalsContact O-CB 3.26Å; G26-L30 WeakPolarHBondContact O-CB 3.3Å; G26-L30 PolarHBondContact O-N 3.09Å |
| 27 | A | 93.1 | Very high | 93.4 | Very high | 50 Ų | 50 | 84.5 Ų | 84.5 | 41% | 0.413 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | G23 L24 L30 F31 | G23-A27 PolarHBondContact O-N 3.35Å; L24-A27 PolarHBondContact O-N 3.4Å; A27-L30 PolarHBondContact O-N 2.71Å; A27-F31 PolarHBondContact O-N 2.78Å |
| 28 | Y | 93.2 | Very high | 93.1 | Very high | 165 Ų | 165 | 83.2 Ų | 83.2 | 65% | 0.647 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.8 | -45.8 | 176.9 | 178.8 | -99.6 | 0 | 0 | 0 | 111.8 | L24 F25 L30 F31 S32 | L24-Y28 VanDerWaalsContact O-CB 3.31Å; L24-Y28 WeakPolarHBondContact O-CB 3.31Å; L24-Y28 PolarHBondContact O-N 3.18Å; F25-Y28 PolarHBondContact O-N 2.99Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.45Å; Y28-F31 PolarHBondContact O-N 2.9Å; Y28-S32 VanDerWaalsContact O-CB 3.29Å; Y28-S32 WeakPolarHBondContact O-CB 3.5Å; Y28-S32 PolarHBondContact O-N 2.74Å |
| 29 | F | 92.9 | Very high | 92.9 | Very high | 129 Ų | 129 | 84.2 Ų | 84.2 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 177.7 | -177.2 | -97.5 | 0 | 0 | 0 | 111.6 | F25 G26 S32 K33 | F25-F29 WeakPolarHBondContact O-CB 3.39Å; F25-F29 PolarHBondContact O-N 3.32Å; G26-F29 PolarHBondContact O-N 2.67Å; F29-S32 PolarHBondContact O-N 3.36Å; F29-K33 HydrophobicContact CD1-CG 4.19Å; F29-K33 HydrophobicContact CE1-CG 3.78Å; F29-K33 HydrophobicContact CE2-CG 4.37Å; F29-K33 HydrophobicContact CZ-CD 4.33Å; F29-K33 VanDerWaalsContact CZ-CE 3.47Å; F29-K33 HydrophobicContact CZ-CG 3.9Å; F29-K33 WeakPolarHBondContact O-CB 3.37Å; F29-K33 WeakPolarHBondContact O-CG 3.45Å; F29-K33 PolarHBondContact O-N 3.23Å |
| 30 | L | 92 | Very high | 92.7 | Very high | 48 Ų | 48 | 84.3 Ų | 84.3 | 25% | 0.251 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 175.3 | 178.4 | 66.7 | 0 | 0 | 0 | 111.3 | G26 A27 Y28 K33 M34 F40 M44 I51 | G26-L30 VanDerWaalsContact O-CB 3.26Å; G26-L30 WeakPolarHBondContact O-CB 3.3Å; G26-L30 PolarHBondContact O-N 3.09Å; A27-L30 PolarHBondContact O-N 2.71Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.45Å; L30-K33 PolarHBondContact O-N 3.28Å; L30-M34 HydrophobicContact CG-CE 4Å; L30-M34 WeakPolarHBondContact O-CG 3.49Å; L30-M34 PolarHBondContact O-N 2.92Å; L30-F40 HydrophobicContact CD1-CE1 3.85Å; L30-F40 HydrophobicContact CD1-CZ 3.96Å; L30-M44 HydrophobicContact CD1-CE 3.47Å; L30-M44 VanDerWaalsContact CD1-CE 3.47Å; L30-I51 HydrophobicContact CD2-CG2 4.14Å |
| 31 | F | 90.7 | Very high | 92.6 | Very high | 86 Ų | 86 | 79.6 Ų | 79.6 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 177 | -99.3 | -91 | 0 | 0 | 0 | 112.4 | A27 Y28 K33 M34 H35 Y55 | A27-F31 PolarHBondContact O-N 2.78Å; Y28-F31 PolarHBondContact O-N 2.9Å; F31-K33 PolarHBondContact O-N 3.09Å; F31-M34 HydrophobicContact CD1-CE 4.35Å; F31-M34 HydrophobicContact CD2-CE 4.18Å; F31-M34 HydrophobicContact CE2-CE 4.41Å; F31-M34 HydrophobicContact CG-CE 4.15Å; F31-M34 PolarHBondContact O-N 2.97Å; F31-H35 WeakPolarHBondContact O-CB 3.14Å; F31-H35 PolarHBondContact O-N 2.92Å; F31-Y55 AromaticContact CD1-CD2 3.69Å; F31-Y55 HydrophobicContact CD1-CD2 3.69Å; F31-Y55 HydrophobicContact CD1-CE2 4.16Å; F31-Y55 AromaticContact CE1-CD2 3.63Å; F31-Y55 HydrophobicContact CE1-CD2 3.63Å; F31-Y55 HydrophobicContact CE1-CE2 4.42Å |
| 32 | S | 92.1 | Very high | 92.4 | Very high | 50 Ų | 50 | 77.2 Ų | 77.2 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | Y28 F29 M34 H35 T36 | Y28-S32 VanDerWaalsContact O-CB 3.29Å; Y28-S32 WeakPolarHBondContact O-CB 3.5Å; Y28-S32 PolarHBondContact O-N 2.74Å; F29-S32 PolarHBondContact O-N 3.36Å; S32-M34 PolarHBondContact O-N 3.43Å; S32-H35 PolarHBondContact O-N 3.43Å; S32-T36 PolarHBondContact O-N 2.72Å; S32-T36 PolarHBondContact O-OG1 2.92Å |
| 33 | K | 93 | Very high | 92.1 | Very high | 93 Ų | 93 | 76.5 Ų | 76.5 | 40% | 0.404 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175.6 | -79.3 | -67.3 | -168.9 | 177.8 | 0 | 112.8 | F29 L30 F31 H35 S37 F40 | F29-K33 HydrophobicContact CD1-CG 4.19Å; F29-K33 HydrophobicContact CE1-CG 3.78Å; F29-K33 HydrophobicContact CE2-CG 4.37Å; F29-K33 HydrophobicContact CZ-CD 4.33Å; F29-K33 VanDerWaalsContact CZ-CE 3.47Å; F29-K33 HydrophobicContact CZ-CG 3.9Å; F29-K33 WeakPolarHBondContact O-CB 3.37Å; F29-K33 WeakPolarHBondContact O-CG 3.45Å; F29-K33 PolarHBondContact O-N 3.23Å; L30-K33 PolarHBondContact O-N 3.28Å; F31-K33 PolarHBondContact O-N 3.09Å; K33-H35 VanDerWaalsContact C-N 3.28Å; K33-H35 PolarHBondContact O-N 3.47Å; K33-S37 PolarHBondContact O-N 3.46Å; K33-F40 HydrophobicContact CB-CD1 3.99Å; K33-F40 HydrophobicContact CB-CE1 3.95Å; K33-F40 HydrophobicContact CB-CG 4.35Å; K33-F40 HydrophobicContact CB-CZ 4.29Å |
| 34 | M | 90.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 174.4 | -73.6 | -171.8 | -61.7 | 0 | 0 | 112 | L30 F31 S32 F40 R41 I51 Y55 | L30-M34 HydrophobicContact CG-CE 4Å; L30-M34 WeakPolarHBondContact O-CG 3.49Å; L30-M34 PolarHBondContact O-N 2.92Å; F31-M34 HydrophobicContact CD1-CE 4.35Å; F31-M34 HydrophobicContact CD2-CE 4.18Å; F31-M34 HydrophobicContact CE2-CE 4.41Å; F31-M34 HydrophobicContact CG-CE 4.15Å; F31-M34 PolarHBondContact O-N 2.97Å; S32-M34 PolarHBondContact O-N 3.43Å; M34-F40 HydrophobicContact CG-CD1 3.74Å; M34-F40 HydrophobicContact CG-CE1 3.74Å; M34-R41 HydrophobicContact CB-CG 4.2Å; M34-R41 HydrophobicContact CG-CG 4.49Å; M34-R41 WeakPolarHBondContact O-CD 3.47Å; M34-R41 VanDerWaalsContact O-CG 3.24Å; M34-R41 WeakPolarHBondContact O-CG 3.28Å; M34-R41 PolarHBondContact O-NH1 3.45Å; M34-I51 HydrophobicContact SD-CG2 4.48Å; M34-Y55 HydrophobicContact CB-CD2 3.97Å; M34-Y55 HydrophobicContact CB-CE2 3.95Å; M34-Y55 HydrophobicContact CB-CG 4.33Å; M34-Y55 HydrophobicContact CE-CD2 3.79Å; M34-Y55 HydrophobicContact CE-CG 4.02Å; M34-Y55 HydrophobicContact SD-CD2 4.34Å; M34-Y55 HydrophobicContact SD-CG 4.1Å |
| 35 | H | 89.3 | Confident | 91.7 | Very high | 103 Ų | 103 | 71.8 Ų | 71.8 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.1 | -45.1 | 178.5 | -165.7 | 72 | 0 | 0 | 0 | 112.3 | F31 S32 K33 R41 Y55 | F31-H35 WeakPolarHBondContact O-CB 3.14Å; F31-H35 PolarHBondContact O-N 2.92Å; S32-H35 PolarHBondContact O-N 3.43Å; K33-H35 VanDerWaalsContact C-N 3.28Å; K33-H35 PolarHBondContact O-N 3.47Å; H35-R41 PolarHBondContact O-NH1 2.81Å; H35-R41 VanDerWaalsContact O-NH1 3.09Å; H35-Y55 WeakPolarHBondContact CA-OH 3.39Å; H35-Y55 PolarHBondContact ND1-OH 3.17Å |
| 36 | T | 90.3 | Very high | 91.4 | Very high | 116 Ų | 116 | 72.4 Ų | 72.4 | 71% | 0.712 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -78.6 | -34.6 | -174.8 | -53.6 | 0 | 0 | 0 | 0 | 114 | S32 | S32-T36 PolarHBondContact O-N 2.72Å; S32-T36 PolarHBondContact O-OG1 2.92Å |
| 37 | S | 90.9 | Very high | 91.3 | Very high | 40 Ų | 40 | 77 Ų | 77 | 28% | 0.28 | 39% | 0.386 | S | S | . | . | trans | -118 | 118.7 | -171.3 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | K33 F40 R41 | K33-S37 PolarHBondContact O-N 3.46Å; S37-F40 PolarHBondContact O-N 2.91Å; S37-F40 PolarHBondContact OG-N 3.47Å; S37-R41 PolarHBondContact O-N 3.27Å | ||
| 38 | Q | 89.4 | Confident | 91.3 | Very high | 51 Ų | 51 | 80 Ų | 80 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 173.3 | -178.8 | 165.7 | 35.6 | 0 | 0 | 112.5 | F40 R41 Q42 D71 T74 | Q38-F40 VanDerWaalsContact C-N 3.29Å; Q38-F40 PolarHBondContact O-N 3.26Å; Q38-R41 WeakPolarHBondContact O-CB 3.39Å; Q38-R41 PolarHBondContact O-N 3.35Å; Q38-R41 VanDerWaalsContact O-N 3.16Å; Q38-Q42 PolarHBondContact O-N 3.4Å; Q38-D71 VanDerWaalsContact CG-OD1 3.3Å; Q38-D71 WeakPolarHBondContact CG-OD1 3.29Å; Q38-D71 PolarHBondContact NE2-OD1 2.99Å; Q38-T74 VanDerWaalsContact NE2-CB 3.27Å; Q38-T74 PolarHBondContact NE2-OG1 3.1Å |
| 39 | D | 90.2 | Very high | 91.1 | Very high | 110 Ų | 110 | 75.9 Ų | 75.9 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.5 | -34.6 | 177.2 | -58 | -35.9 | 0 | 0 | 0 | 112 | Q42 T43 | D39-Q42 WeakPolarHBondContact O-CB 3.49Å; D39-Q42 PolarHBondContact O-N 2.88Å; D39-T43 PolarHBondContact O-N 3.27Å; D39-T43 PolarHBondContact O-OG1 2.97Å |
| 40 | F | 91.5 | Very high | 91.1 | Very high | 64 Ų | 64 | 77 Ų | 77 | 28% | 0.281 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 173.4 | -169.7 | -98.9 | 0 | 0 | 0 | 111.1 | L30 K33 M34 S37 Q38 Q42 T43 M44 | L30-F40 HydrophobicContact CD1-CE1 3.85Å; L30-F40 HydrophobicContact CD1-CZ 3.96Å; K33-F40 HydrophobicContact CB-CD1 3.99Å; K33-F40 HydrophobicContact CB-CE1 3.95Å; K33-F40 HydrophobicContact CB-CG 4.35Å; K33-F40 HydrophobicContact CB-CZ 4.29Å; M34-F40 HydrophobicContact CG-CD1 3.74Å; M34-F40 HydrophobicContact CG-CE1 3.74Å; S37-F40 PolarHBondContact O-N 2.91Å; S37-F40 PolarHBondContact OG-N 3.47Å; Q38-F40 VanDerWaalsContact C-N 3.29Å; Q38-F40 PolarHBondContact O-N 3.26Å; F40-Q42 VanDerWaalsContact C-N 3.31Å; F40-Q42 PolarHBondContact O-N 3.5Å; F40-T43 PolarHBondContact O-N 2.95Å; F40-M44 HydrophobicContact CD1-CG 4.17Å; F40-M44 HydrophobicContact CE1-CE 3.67Å; F40-M44 HydrophobicContact CE1-CG 3.89Å; F40-M44 HydrophobicContact CE2-CE 4.31Å; F40-M44 HydrophobicContact CZ-CE 3.42Å; F40-M44 VanDerWaalsContact CZ-CE 3.42Å; F40-M44 HydrophobicContact CZ-CG 4.38Å; F40-M44 WeakPolarHBondContact O-CB 3.49Å; F40-M44 WeakPolarHBondContact O-CG 3.31Å; F40-M44 PolarHBondContact O-N 3.06Å |
| 41 | R | 93.1 | Very high | 91 | Very high | 19 Ų | 19 | 77.8 Ų | 77.8 | 7% | 0.072 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 171.8 | -67.3 | -169.1 | -62.7 | -109 | 7.4 | 111.8 | M34 H35 S37 Q38 M44 S45 L52 D71 W75 | M34-R41 HydrophobicContact CB-CG 4.2Å; M34-R41 HydrophobicContact CG-CG 4.49Å; M34-R41 WeakPolarHBondContact O-CD 3.47Å; M34-R41 VanDerWaalsContact O-CG 3.24Å; M34-R41 WeakPolarHBondContact O-CG 3.28Å; M34-R41 PolarHBondContact O-NH1 3.45Å; H35-R41 PolarHBondContact O-NH1 2.81Å; H35-R41 VanDerWaalsContact O-NH1 3.09Å; S37-R41 PolarHBondContact O-N 3.27Å; Q38-R41 WeakPolarHBondContact O-CB 3.39Å; Q38-R41 PolarHBondContact O-N 3.35Å; Q38-R41 VanDerWaalsContact O-N 3.16Å; R41-M44 PolarHBondContact O-N 3.1Å; R41-S45 WeakPolarHBondContact O-CB 3.44Å; R41-S45 PolarHBondContact O-N 2.67Å; R41-L52 HydrophobicContact CB-CD1 3.89Å; R41-L52 HydrophobicContact CG-CD1 3.98Å; R41-L52 WeakPolarHBondContact O-CD2 3.42Å; R41-D71 WeakPolarHBondContact CD-OD2 3.42Å; R41-D71 IonicContact CZ-OD1 3.74Å; R41-D71 IonicContact CZ-OD2 3.93Å; R41-D71 IonicContact NE-OD1 3.45Å; R41-D71 IonicContact NE-OD2 3.73Å; R41-D71 PolarHBondContact NE-OD2 3.15Å; R41-D71 IonicContact NH2-OD1 3.13Å; R41-D71 PolarHBondContact NH2-OD1 3.31Å; R41-D71 IonicContact NH2-OD2 3.32Å; R41-D71 PolarHBondContact NH2-OD2 3.47Å; R41-W75 HydrophobicContact CB-CZ2 4.04Å |
| 42 | Q | 91.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 74 Ų | 74 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 175.6 | -161.9 | -176.3 | 33.8 | 0 | 0 | 112 | Q38 D39 F40 S45 K46 W75 | Q38-Q42 PolarHBondContact O-N 3.4Å; D39-Q42 WeakPolarHBondContact O-CB 3.49Å; D39-Q42 PolarHBondContact O-N 2.88Å; F40-Q42 VanDerWaalsContact C-N 3.31Å; F40-Q42 PolarHBondContact O-N 3.5Å; Q42-S45 WeakPolarHBondContact O-CB 3.42Å; Q42-S45 PolarHBondContact O-N 3.49Å; Q42-K46 PolarHBondContact O-N 3.4Å; Q42-W75 VanDerWaalsContact CA-CZ2 3.42Å; Q42-W75 HydrophobicContact CB-CD2 4.31Å; Q42-W75 HydrophobicContact CB-CZ2 3.88Å; Q42-W75 HydrophobicContact CG-CD2 3.88Å; Q42-W75 HydrophobicContact CG-CG 3.88Å; Q42-W75 HydrophobicContact CG-CZ2 4.33Å |
| 43 | T | 91.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 75.6 Ų | 75.6 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | D39 F40 S45 K46 K47 | D39-T43 PolarHBondContact O-N 3.27Å; D39-T43 PolarHBondContact O-OG1 2.97Å; F40-T43 PolarHBondContact O-N 2.95Å; T43-S45 VanDerWaalsContact C-N 3.31Å; T43-S45 PolarHBondContact O-N 3.01Å; T43-K46 PolarHBondContact O-N 3.2Å; T43-K46 VanDerWaalsContact O-N 3.13Å; T43-K47 WeakPolarHBondContact O-CB 3.48Å; T43-K47 PolarHBondContact O-N 3.42Å |
| 44 | M | 90.4 | Very high | 91.1 | Very high | 22 Ų | 22 | 74.2 Ų | 74.2 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 173.2 | -78.6 | -70.5 | 172.7 | 0 | 0 | 112 | L30 F40 R41 K46 K47 Y48 L52 | L30-M44 HydrophobicContact CD1-CE 3.47Å; L30-M44 VanDerWaalsContact CD1-CE 3.47Å; F40-M44 HydrophobicContact CD1-CG 4.17Å; F40-M44 HydrophobicContact CE1-CE 3.67Å; F40-M44 HydrophobicContact CE1-CG 3.89Å; F40-M44 HydrophobicContact CE2-CE 4.31Å; F40-M44 HydrophobicContact CZ-CE 3.42Å; F40-M44 VanDerWaalsContact CZ-CE 3.42Å; F40-M44 HydrophobicContact CZ-CG 4.38Å; F40-M44 WeakPolarHBondContact O-CB 3.49Å; F40-M44 WeakPolarHBondContact O-CG 3.31Å; F40-M44 PolarHBondContact O-N 3.06Å; R41-M44 PolarHBondContact O-N 3.1Å; M44-K46 PolarHBondContact O-N 2.94Å; M44-K47 PolarHBondContact O-N 3.28Å; M44-Y48 HydrophobicContact CE-CD2 4.31Å; M44-Y48 CarbonylContact O-C 2.98Å; M44-Y48 WeakPolarHBondContact O-CA 3.36Å; M44-Y48 PolarHBondContact O-N 3.29Å; M44-Y48 HydrophobicContact SD-CD2 3.7Å; M44-Y48 HydrophobicContact SD-CG 4.3Å; M44-L52 HydrophobicContact CB-CB 4.36Å; M44-L52 HydrophobicContact CB-CD1 4.47Å |
| 45 | S | 90.6 | Very high | 91.2 | Very high | 47 Ų | 47 | 74.4 Ų | 74.4 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.9 | -32.9 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | R41 Q42 T43 | R41-S45 WeakPolarHBondContact O-CB 3.44Å; R41-S45 PolarHBondContact O-N 2.67Å; Q42-S45 WeakPolarHBondContact O-CB 3.42Å; Q42-S45 PolarHBondContact O-N 3.49Å; T43-S45 VanDerWaalsContact C-N 3.31Å; T43-S45 PolarHBondContact O-N 3.01Å |
| 46 | K | 90.1 | Very high | 91.3 | Very high | 162 Ų | 162 | 70.2 Ų | 70.2 | 70% | 0.704 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -83.6 | -39.5 | 179.2 | -66.7 | 175.8 | -177 | 174 | 0 | 112.4 | Q42 T43 M44 | Q42-K46 PolarHBondContact O-N 3.4Å; T43-K46 PolarHBondContact O-N 3.2Å; T43-K46 VanDerWaalsContact O-N 3.13Å; M44-K46 PolarHBondContact O-N 2.94Å |
| 47 | K | 92.7 | Very high | 91.5 | Very high | 138 Ų | 138 | 69.5 Ų | 69.5 | 60% | 0.6 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -96.3 | -37.8 | -170.8 | -160.8 | 172.1 | 178.4 | 179.2 | 0 | 113.6 | T43 M44 | T43-K47 WeakPolarHBondContact O-CB 3.48Å; T43-K47 PolarHBondContact O-N 3.42Å; M44-K47 PolarHBondContact O-N 3.28Å |
| 48 | Y | 91.4 | Very high | 91.5 | Very high | 112 Ų | 112 | 70.1 Ų | 70.1 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | trans | -141.8 | 66.4 | -174.4 | -57.5 | -69.9 | 0 | 0 | 0 | 111.5 | M44 F50 I51 L52 | M44-Y48 HydrophobicContact CE-CD2 4.31Å; M44-Y48 CarbonylContact O-C 2.98Å; M44-Y48 WeakPolarHBondContact O-CA 3.36Å; M44-Y48 PolarHBondContact O-N 3.29Å; M44-Y48 HydrophobicContact SD-CD2 3.7Å; M44-Y48 HydrophobicContact SD-CG 4.3Å; Y48-F50 PolarHBondContact O-N 2.91Å; Y48-I51 HydrophobicContact CD1-CD1 4.3Å; Y48-I51 HydrophobicContact CG-CD1 4.04Å; Y48-I51 PolarHBondContact O-N 3.46Å; Y48-L52 PolarHBondContact O-N 3.26Å | ||
| 49 | P | 90.9 | Very high | 91.6 | Very high | 80 Ų | 80 | 68.2 Ų | 68.2 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.4 | -33.8 | -174.2 | 22.9 | -33.8 | 0 | 0 | 0 | 113 | L52 E53 | P49-L52 PolarHBondContact O-N 2.89Å; P49-E53 PolarHBondContact O-N 2.81Å |
| 50 | F | 91.9 | Very high | 91.7 | Very high | 152 Ų | 152 | 65.3 Ų | 65.3 | 67% | 0.667 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 178.8 | -176.9 | -101.2 | 0 | 0 | 0 | 113.1 | Y48 L52 E53 V54 | Y48-F50 PolarHBondContact O-N 2.91Å; F50-L52 VanDerWaalsContact C-N 3.31Å; F50-L52 PolarHBondContact O-N 3.36Å; F50-E53 PolarHBondContact O-N 3.16Å; F50-V54 HydrophobicContact CE1-CG2 4.19Å; F50-V54 HydrophobicContact CZ-CG2 4.34Å; F50-V54 WeakPolarHBondContact O-CG2 3.26Å; F50-V54 PolarHBondContact O-N 2.99Å; F50-V54 VanDerWaalsContact O-N 3.1Å |
| 51 | I | 90.5 | Very high | 91.7 | Very high | 64 Ų | 64 | 71 Ų | 71 | 33% | 0.328 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 179.2 | -65.4 | 169.7 | 0 | 0 | 0 | 109.9 | L30 M34 Y48 E53 V54 Y55 | L30-I51 HydrophobicContact CD2-CG2 4.14Å; M34-I51 HydrophobicContact SD-CG2 4.48Å; Y48-I51 HydrophobicContact CD1-CD1 4.3Å; Y48-I51 HydrophobicContact CG-CD1 4.04Å; Y48-I51 PolarHBondContact O-N 3.46Å; I51-E53 VanDerWaalsContact C-N 3.33Å; I51-E53 PolarHBondContact O-N 2.88Å; I51-V54 PolarHBondContact O-N 3.5Å; I51-Y55 PolarHBondContact O-N 2.96Å |
| 52 | L | 92.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 74.1 Ų | 74.1 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 176.8 | -175.6 | 68.6 | 0 | 0 | 0 | 112.1 | R41 M44 Y48 P49 F50 Y55 Y56 W75 | R41-L52 HydrophobicContact CB-CD1 3.89Å; R41-L52 HydrophobicContact CG-CD1 3.98Å; R41-L52 WeakPolarHBondContact O-CD2 3.42Å; M44-L52 HydrophobicContact CB-CB 4.36Å; M44-L52 HydrophobicContact CB-CD1 4.47Å; Y48-L52 PolarHBondContact O-N 3.26Å; P49-L52 PolarHBondContact O-N 2.89Å; F50-L52 VanDerWaalsContact C-N 3.31Å; F50-L52 PolarHBondContact O-N 3.36Å; L52-Y55 HydrophobicContact CD1-CD1 4.27Å; L52-Y55 WeakPolarHBondContact O-CB 3.43Å; L52-Y55 PolarHBondContact O-N 3.46Å; L52-Y56 HydrophobicContact CD1-CE2 4.01Å; L52-Y56 HydrophobicContact CD2-CE2 3.72Å; L52-Y56 HydrophobicContact CG-CD2 4.03Å; L52-Y56 HydrophobicContact CG-CE2 3.49Å; L52-Y56 VanDerWaalsContact CG-CE2 3.49Å; L52-Y56 VanDerWaalsContact O-CD2 3.28Å; L52-Y56 WeakPolarHBondContact O-CD2 3.37Å; L52-Y56 PolarHBondContact O-N 3.26Å; L52-W75 HydrophobicContact CD2-CH2 4.05Å |
| 53 | E | 92.5 | Very high | 91.5 | Very high | 84 Ų | 84 | 74.3 Ų | 74.3 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 176 | -166.7 | -175 | 158.7 | 0 | 0 | 111.9 | P49 F50 I51 Y55 Y56 K57 | P49-E53 PolarHBondContact O-N 2.81Å; F50-E53 PolarHBondContact O-N 3.16Å; I51-E53 VanDerWaalsContact C-N 3.33Å; I51-E53 PolarHBondContact O-N 2.88Å; E53-Y55 VanDerWaalsContact C-N 3.32Å; E53-Y55 PolarHBondContact O-N 3.38Å; E53-Y56 PolarHBondContact O-N 3.45Å; E53-K57 WeakPolarHBondContact O-CG 3.21Å; E53-K57 PolarHBondContact O-N 3.44Å; E53-K57 WeakPolarHBondContact OE1-CE 3.49Å; E53-K57 IonicContact OE1-NZ 3.66Å; E53-K57 PolarHBondContact OE1-NZ 2.9Å |
| 54 | V | 93 | Very high | 91.3 | Very high | 65 Ų | 65 | 74.2 Ų | 74.2 | 39% | 0.394 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.2 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | F50 I51 K57 S58 | F50-V54 HydrophobicContact CE1-CG2 4.19Å; F50-V54 HydrophobicContact CZ-CG2 4.34Å; F50-V54 WeakPolarHBondContact O-CG2 3.26Å; F50-V54 PolarHBondContact O-N 2.99Å; F50-V54 VanDerWaalsContact O-N 3.1Å; I51-V54 PolarHBondContact O-N 3.5Å; V54-K57 PolarHBondContact O-N 3.25Å; V54-S58 VanDerWaalsContact O-CB 3.31Å; V54-S58 WeakPolarHBondContact O-CB 3.28Å; V54-S58 PolarHBondContact O-N 3.48Å; V54-S58 PolarHBondContact O-OG 3.39Å |
| 55 | Y | 91.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 81.2 Ų | 81.2 | 1% | 0.012 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.8 | -49.6 | 174 | 168.4 | -96.7 | 0 | 0 | 0 | 111.6 | F31 M34 H35 I51 L52 E53 S58 T59 | F31-Y55 AromaticContact CD1-CD2 3.69Å; F31-Y55 HydrophobicContact CD1-CD2 3.69Å; F31-Y55 HydrophobicContact CD1-CE2 4.16Å; F31-Y55 AromaticContact CE1-CD2 3.63Å; F31-Y55 HydrophobicContact CE1-CD2 3.63Å; F31-Y55 HydrophobicContact CE1-CE2 4.42Å; M34-Y55 HydrophobicContact CB-CD2 3.97Å; M34-Y55 HydrophobicContact CB-CE2 3.95Å; M34-Y55 HydrophobicContact CB-CG 4.33Å; M34-Y55 HydrophobicContact CE-CD2 3.79Å; M34-Y55 HydrophobicContact CE-CG 4.02Å; M34-Y55 HydrophobicContact SD-CD2 4.34Å; M34-Y55 HydrophobicContact SD-CG 4.1Å; H35-Y55 WeakPolarHBondContact CA-OH 3.39Å; H35-Y55 PolarHBondContact ND1-OH 3.17Å; I51-Y55 PolarHBondContact O-N 2.96Å; L52-Y55 HydrophobicContact CD1-CD1 4.27Å; L52-Y55 WeakPolarHBondContact O-CB 3.43Å; L52-Y55 PolarHBondContact O-N 3.46Å; E53-Y55 VanDerWaalsContact C-N 3.32Å; E53-Y55 PolarHBondContact O-N 3.38Å; Y55-S58 PolarHBondContact O-N 3.36Å; Y55-T59 WeakPolarHBondContact O-CB 3.49Å; Y55-T59 PolarHBondContact O-N 3.47Å; Y55-T59 PolarHBondContact O-OG1 3.3Å |
| 56 | Y | 93 | Very high | 91.1 | Very high | 15 Ų | 15 | 80.7 Ų | 80.7 | 6% | 0.059 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 178.7 | -69.7 | -50.2 | 0 | 0 | 0 | 112 | L52 E53 S58 T59 E60 I67 R68 D71 W75 | L52-Y56 HydrophobicContact CD1-CE2 4.01Å; L52-Y56 HydrophobicContact CD2-CE2 3.72Å; L52-Y56 HydrophobicContact CG-CD2 4.03Å; L52-Y56 HydrophobicContact CG-CE2 3.49Å; L52-Y56 VanDerWaalsContact CG-CE2 3.49Å; L52-Y56 VanDerWaalsContact O-CD2 3.28Å; L52-Y56 WeakPolarHBondContact O-CD2 3.37Å; L52-Y56 PolarHBondContact O-N 3.26Å; E53-Y56 PolarHBondContact O-N 3.45Å; Y56-S58 PolarHBondContact O-N 3.24Å; Y56-T59 PolarHBondContact O-N 2.88Å; Y56-T59 VanDerWaalsContact O-N 3.14Å; Y56-E60 WeakPolarHBondContact O-CB 3.36Å; Y56-E60 VanDerWaalsContact O-CG 3.24Å; Y56-E60 WeakPolarHBondContact O-CG 3.32Å; Y56-E60 PolarHBondContact O-N 2.95Å; Y56-I67 HydrophobicContact CE1-CG2 4.16Å; Y56-R68 VanDerWaalsContact CB-NH2 3.29Å; Y56-R68 HydrophobicContact CD1-CB 4.01Å; Y56-R68 HydrophobicContact CD2-CB 4.5Å; Y56-R68 HydrophobicContact CD2-CG 4.24Å; Y56-R68 HydrophobicContact CE1-CB 4.06Å; Y56-R68 HydrophobicContact CE2-CG 4.13Å; Y56-R68 HydrophobicContact CG-CB 4.25Å; Y56-R68 HydrophobicContact CG-CG 4.47Å; Y56-D71 PolarHBondContact OH-OD2 3.4Å; Y56-W75 WeakPolarHBondContact OH-CH2 3.33Å |
| 57 | K | 93.3 | Very high | 91.1 | Very high | 102 Ų | 102 | 74.5 Ų | 74.5 | 44% | 0.443 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | 178.6 | -75 | -179.8 | -177.6 | 167.5 | 0 | 112 | E53 V54 K61 | E53-K57 WeakPolarHBondContact O-CG 3.21Å; E53-K57 PolarHBondContact O-N 3.44Å; E53-K57 WeakPolarHBondContact OE1-CE 3.49Å; E53-K57 IonicContact OE1-NZ 3.66Å; E53-K57 PolarHBondContact OE1-NZ 2.9Å; V54-K57 PolarHBondContact O-N 3.25Å; K57-K61 WeakPolarHBondContact O-CB 3.47Å; K57-K61 VanDerWaalsContact O-CG 3.23Å; K57-K61 WeakPolarHBondContact O-CG 3.29Å; K57-K61 PolarHBondContact O-N 2.85Å |
| 58 | S | 91.5 | Very high | 91 | Very high | 52 Ų | 52 | 71.7 Ų | 71.7 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | V54 Y55 Y56 K61 S62 | V54-S58 VanDerWaalsContact O-CB 3.31Å; V54-S58 WeakPolarHBondContact O-CB 3.28Å; V54-S58 PolarHBondContact O-N 3.48Å; V54-S58 PolarHBondContact O-OG 3.39Å; Y55-S58 PolarHBondContact O-N 3.36Å; Y56-S58 PolarHBondContact O-N 3.24Å; S58-K61 PolarHBondContact O-N 2.88Å; S58-S62 PolarHBondContact O-N 3.46Å |
| 59 | T | 91.1 | Very high | 91 | Very high | 12 Ų | 12 | 73.4 Ų | 73.4 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70 | -39.2 | 179.2 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | Y55 Y56 K61 S62 G63 M64 I67 | Y55-T59 WeakPolarHBondContact O-CB 3.49Å; Y55-T59 PolarHBondContact O-N 3.47Å; Y55-T59 PolarHBondContact O-OG1 3.3Å; Y56-T59 PolarHBondContact O-N 2.88Å; Y56-T59 VanDerWaalsContact O-N 3.14Å; T59-K61 VanDerWaalsContact C-N 3.35Å; T59-S62 WeakPolarHBondContact CA-OG 3.3Å; T59-S62 PolarHBondContact O-N 3.38Å; T59-S62 PolarHBondContact O-OG 3.19Å; T59-G63 PolarHBondContact O-N 2.77Å; T59-M64 HydrophobicContact CG2-CB 3.49Å; T59-M64 VanDerWaalsContact CG2-CB 3.49Å; T59-M64 HydrophobicContact CG2-CE 4.19Å; T59-M64 HydrophobicContact CG2-CG 4.45Å; T59-M64 HydrophobicContact CG2-SD 4.32Å; T59-M64 WeakPolarHBondContact O-CB 3.27Å; T59-M64 PolarHBondContact O-N 2.93Å; T59-I67 HydrophobicContact CG2-CD1 4.15Å |
| 60 | E | 92.6 | Very high | 91 | Very high | 48 Ų | 48 | 74.3 Ų | 74.3 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 172.4 | -72.4 | 167 | 166.9 | 0 | 0 | 110.8 | Y56 S62 G63 Y65 R68 | Y56-E60 WeakPolarHBondContact O-CB 3.36Å; Y56-E60 VanDerWaalsContact O-CG 3.24Å; Y56-E60 WeakPolarHBondContact O-CG 3.32Å; Y56-E60 PolarHBondContact O-N 2.95Å; E60-S62 VanDerWaalsContact C-N 3.3Å; E60-S62 PolarHBondContact O-N 2.93Å; E60-G63 PolarHBondContact O-N 3.35Å; E60-G63 VanDerWaalsContact O-N 3.1Å; E60-Y65 HydrophobicContact CB-CD1 4.11Å; E60-Y65 HydrophobicContact CB-CE1 3.97Å; E60-Y65 HydrophobicContact CG-CD1 4.12Å; E60-Y65 HydrophobicContact CG-CE1 4.48Å; E60-Y65 WeakPolarHBondContact O-CE1 3.41Å; E60-Y65 PolarHBondContact O-OH 3.35Å; E60-Y65 VanDerWaalsContact O-OH 3.12Å; E60-R68 VanDerWaalsContact CD-NH2 3.35Å; E60-R68 IonicContact OE1-CZ 3.51Å; E60-R68 IonicContact OE1-NE 2.67Å; E60-R68 IonicContact OE1-NH1 2.67Å; E60-R68 PolarHBondContact OE1-NH1 3.46Å; E60-R68 IonicContact OE1-NH2 3.05Å; E60-R68 PolarHBondContact OE1-NH2 2.91Å; E60-R68 IonicContact OE2-CZ 2.9Å; E60-R68 IonicContact OE2-NH1 3.45Å; E60-R68 IonicContact OE2-NH2 2.95Å; E60-R68 PolarHBondContact OE2-NH2 2.86Å |
| 61 | K | 92.1 | Very high | 91 | Very high | 183 Ų | 183 | 67.1 Ų | 67.1 | 80% | 0.796 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.3 | -29.1 | 174.3 | -79.2 | 178.9 | 179.2 | -171.1 | 0 | 113.3 | K57 S58 T59 G63 | K57-K61 WeakPolarHBondContact O-CB 3.47Å; K57-K61 VanDerWaalsContact O-CG 3.23Å; K57-K61 WeakPolarHBondContact O-CG 3.29Å; K57-K61 PolarHBondContact O-N 2.85Å; S58-K61 PolarHBondContact O-N 2.88Å; T59-K61 VanDerWaalsContact C-N 3.35Å; K61-G63 PolarHBondContact O-N 3.25Å |
| 62 | S | 89.8 | Confident | 91 | Very high | 86 Ų | 86 | 69 Ų | 69 | 60% | 0.601 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 5.4 | 173.3 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | S58 T59 E60 | S58-S62 PolarHBondContact O-N 3.46Å; T59-S62 WeakPolarHBondContact CA-OG 3.3Å; T59-S62 PolarHBondContact O-N 3.38Å; T59-S62 PolarHBondContact O-OG 3.19Å; E60-S62 VanDerWaalsContact C-N 3.3Å; E60-S62 PolarHBondContact O-N 2.93Å |
| 63 | G | 89.9 | Confident | 91 | Very high | 45 Ų | 45 | 75.4 Ų | 75.4 | 46% | 0.464 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 6.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | T59 E60 K61 Y65 | T59-G63 PolarHBondContact O-N 2.77Å; E60-G63 PolarHBondContact O-N 3.35Å; E60-G63 VanDerWaalsContact O-N 3.1Å; K61-G63 PolarHBondContact O-N 3.25Å; G63-Y65 WeakPolarHBondContact O-CD2 3.46Å; G63-Y65 PolarHBondContact O-N 3.13Å |
| 64 | M | 87.1 | Confident | 90.9 | Very high | 81 Ų | 81 | 73.9 Ų | 73.9 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | trans | -95.1 | 88.8 | 177.2 | -74.8 | -176.6 | 56.5 | 0 | 0 | 110.4 | T59 I67 | T59-M64 HydrophobicContact CG2-CB 3.49Å; T59-M64 VanDerWaalsContact CG2-CB 3.49Å; T59-M64 HydrophobicContact CG2-CE 4.19Å; T59-M64 HydrophobicContact CG2-CG 4.45Å; T59-M64 HydrophobicContact CG2-SD 4.32Å; T59-M64 WeakPolarHBondContact O-CB 3.27Å; T59-M64 PolarHBondContact O-N 2.93Å; M64-I67 HydrophobicContact CE-CD1 3.53Å | ||
| 65 | Y | 88.3 | Confident | 90.7 | Very high | 169 Ų | 169 | 72.4 Ų | 72.4 | 66% | 0.663 | 37% | 0.366 | S | S | * | . | trans | -89.8 | 162 | 178.7 | -55.3 | -75.5 | 0 | 0 | 0 | 112.2 | E60 G63 I67 | E60-Y65 HydrophobicContact CB-CD1 4.11Å; E60-Y65 HydrophobicContact CB-CE1 3.97Å; E60-Y65 HydrophobicContact CG-CD1 4.12Å; E60-Y65 HydrophobicContact CG-CE1 4.48Å; E60-Y65 WeakPolarHBondContact O-CE1 3.41Å; E60-Y65 PolarHBondContact O-OH 3.35Å; E60-Y65 VanDerWaalsContact O-OH 3.12Å; G63-Y65 WeakPolarHBondContact O-CD2 3.46Å; G63-Y65 PolarHBondContact O-N 3.13Å; Y65-I67 PolarHBondContact O-N 3.01Å | ||
| 66 | G | 88.7 | Confident | 90.5 | Very high | 36 Ų | 36 | 77.8 Ų | 77.8 | 37% | 0.371 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 87.9 | -12.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R68 E69 L70 | G66-R68 VanDerWaalsContact C-N 3.31Å; G66-R68 PolarHBondContact O-N 3.21Å; G66-E69 PolarHBondContact O-N 3.42Å; G66-L70 WeakPolarHBondContact O-CB 3.48Å; G66-L70 PolarHBondContact O-N 3.47Å |
| 67 | I | 89.3 | Confident | 90.1 | Very high | 31 Ų | 31 | 82.1 Ų | 82.1 | 16% | 0.159 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62 | -39.9 | 177.8 | -61.2 | -162.4 | 0 | 0 | 0 | 111.6 | Y56 T59 M64 Y65 E69 L70 D71 | Y56-I67 HydrophobicContact CE1-CG2 4.16Å; T59-I67 HydrophobicContact CG2-CD1 4.15Å; M64-I67 HydrophobicContact CE-CD1 3.53Å; Y65-I67 PolarHBondContact O-N 3.01Å; I67-E69 PolarHBondContact O-N 2.85Å; I67-L70 PolarHBondContact O-N 2.95Å; I67-D71 WeakPolarHBondContact O-CB 3.45Å; I67-D71 PolarHBondContact O-N 3.44Å |
| 68 | R | 90.9 | Very high | 89.3 | Confident | 79 Ų | 79 | 80.9 Ų | 80.9 | 30% | 0.298 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 177.9 | -176.1 | -174.8 | -66.5 | 151.7 | 8.7 | 111.9 | Y56 E60 G66 D71 Q72 | Y56-R68 VanDerWaalsContact CB-NH2 3.29Å; Y56-R68 HydrophobicContact CD1-CB 4.01Å; Y56-R68 HydrophobicContact CD2-CB 4.5Å; Y56-R68 HydrophobicContact CD2-CG 4.24Å; Y56-R68 HydrophobicContact CE1-CB 4.06Å; Y56-R68 HydrophobicContact CE2-CG 4.13Å; Y56-R68 HydrophobicContact CG-CB 4.25Å; Y56-R68 HydrophobicContact CG-CG 4.47Å; E60-R68 VanDerWaalsContact CD-NH2 3.35Å; E60-R68 IonicContact OE1-CZ 3.51Å; E60-R68 IonicContact OE1-NE 2.67Å; E60-R68 IonicContact OE1-NH1 2.67Å; E60-R68 PolarHBondContact OE1-NH1 3.46Å; E60-R68 IonicContact OE1-NH2 3.05Å; E60-R68 PolarHBondContact OE1-NH2 2.91Å; E60-R68 IonicContact OE2-CZ 2.9Å; E60-R68 IonicContact OE2-NH1 3.45Å; E60-R68 IonicContact OE2-NH2 2.95Å; E60-R68 PolarHBondContact OE2-NH2 2.86Å; G66-R68 VanDerWaalsContact C-N 3.31Å; G66-R68 PolarHBondContact O-N 3.21Å; R68-D71 PolarHBondContact O-N 2.9Å; R68-Q72 WeakPolarHBondContact O-CG 3.36Å; R68-Q72 PolarHBondContact O-N 3.49Å |
| 69 | E | 91.1 | Very high | 88.1 | Confident | 148 Ų | 148 | 86.7 Ų | 86.7 | 69% | 0.692 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.2 | -42.4 | -178.8 | -63.7 | -179.5 | 177.2 | 0 | 0 | 111.2 | G66 I67 D71 Q72 K73 | G66-E69 PolarHBondContact O-N 3.42Å; I67-E69 PolarHBondContact O-N 2.85Å; E69-D71 VanDerWaalsContact C-N 3.33Å; E69-D71 PolarHBondContact O-N 3.31Å; E69-Q72 PolarHBondContact O-N 3.08Å; E69-K73 WeakPolarHBondContact O-CB 3.49Å; E69-K73 PolarHBondContact O-N 3.4Å |
| 70 | L | 91 | Very high | 86.3 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 174.6 | -177.8 | 64.4 | 0 | 0 | 0 | 111.2 | G66 I67 K73 T74 | G66-L70 WeakPolarHBondContact O-CB 3.48Å; G66-L70 PolarHBondContact O-N 3.47Å; I67-L70 PolarHBondContact O-N 2.95Å; L70-K73 PolarHBondContact O-N 2.88Å; L70-T74 PolarHBondContact O-N 3.39Å; L70-T74 PolarHBondContact O-OG1 3.47Å; L70-T74 VanDerWaalsContact O-OG1 3.14Å |
| 71 | D | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 98.3 Ų | 98.3 | 0% | 0 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 177.2 | -79 | -13.2 | 0 | 0 | 0 | 112.1 | Q38 R41 Y56 I67 R68 E69 K73 T74 W75 | Q38-D71 VanDerWaalsContact CG-OD1 3.3Å; Q38-D71 WeakPolarHBondContact CG-OD1 3.29Å; Q38-D71 PolarHBondContact NE2-OD1 2.99Å; R41-D71 WeakPolarHBondContact CD-OD2 3.42Å; R41-D71 IonicContact CZ-OD1 3.74Å; R41-D71 IonicContact CZ-OD2 3.93Å; R41-D71 IonicContact NE-OD1 3.45Å; R41-D71 IonicContact NE-OD2 3.73Å; R41-D71 PolarHBondContact NE-OD2 3.15Å; R41-D71 IonicContact NH2-OD1 3.13Å; R41-D71 PolarHBondContact NH2-OD1 3.31Å; R41-D71 IonicContact NH2-OD2 3.32Å; R41-D71 PolarHBondContact NH2-OD2 3.47Å; Y56-D71 PolarHBondContact OH-OD2 3.4Å; I67-D71 WeakPolarHBondContact O-CB 3.45Å; I67-D71 PolarHBondContact O-N 3.44Å; R68-D71 PolarHBondContact O-N 2.9Å; E69-D71 VanDerWaalsContact C-N 3.33Å; E69-D71 PolarHBondContact O-N 3.31Å; D71-K73 VanDerWaalsContact C-N 3.35Å; D71-K73 PolarHBondContact O-N 2.92Å; D71-T74 PolarHBondContact O-N 3.17Å; D71-W75 HydrophobicContact CB-CD2 4.45Å; D71-W75 HydrophobicContact CB-CH2 3.98Å; D71-W75 HydrophobicContact CB-CZ2 3.7Å; D71-W75 HydrophobicContact CB-CZ3 4.45Å; D71-W75 WeakPolarHBondContact O-CB 3.46Å; D71-W75 PolarHBondContact O-N 3.1Å |
| 72 | Q | 90.5 | Very high | 85.6 | Confident | 105 Ų | 105 | 93.8 Ų | 93.8 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.1 | -74.1 | -177.2 | -11.7 | 0 | 0 | 112.3 | R68 E69 W75 L76 | R68-Q72 WeakPolarHBondContact O-CG 3.36Å; R68-Q72 PolarHBondContact O-N 3.49Å; E69-Q72 PolarHBondContact O-N 3.08Å; Q72-W75 PolarHBondContact O-N 3.35Å; Q72-L76 WeakPolarHBondContact O-CB 3.18Å; Q72-L76 VanDerWaalsContact O-CG 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.45Å; Q72-L76 PolarHBondContact O-N 3.43Å |
| 73 | K | 91.5 | Very high | 85.4 | Confident | 140 Ų | 140 | 94.2 Ų | 94.2 | 61% | 0.609 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.1 | -46.3 | 178.2 | -172.8 | 175.5 | -178.3 | 176.8 | 0 | 111.7 | E69 L70 D71 W75 L76 N77 | E69-K73 WeakPolarHBondContact O-CB 3.49Å; E69-K73 PolarHBondContact O-N 3.4Å; L70-K73 PolarHBondContact O-N 2.88Å; D71-K73 VanDerWaalsContact C-N 3.35Å; D71-K73 PolarHBondContact O-N 2.92Å; K73-W75 PolarHBondContact O-N 3.09Å; K73-L76 PolarHBondContact O-N 2.95Å; K73-N77 WeakPolarHBondContact O-CB 3.48Å; K73-N77 PolarHBondContact O-N 3.35Å |
| 74 | T | 90.4 | Very high | 85.2 | Confident | 52 Ų | 52 | 97.1 Ų | 97.1 | 32% | 0.319 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | Q38 L70 D71 N77 S78 | Q38-T74 VanDerWaalsContact NE2-CB 3.27Å; Q38-T74 PolarHBondContact NE2-OG1 3.1Å; L70-T74 PolarHBondContact O-N 3.39Å; L70-T74 PolarHBondContact O-OG1 3.47Å; L70-T74 VanDerWaalsContact O-OG1 3.14Å; D71-T74 PolarHBondContact O-N 3.17Å; T74-N77 PolarHBondContact O-N 3.01Å; T74-S78 WeakPolarHBondContact O-CB 3.44Å; T74-S78 PolarHBondContact O-N 3.09Å |
| 75 | W | 89.6 | Confident | 85 | Confident | 34 Ų | 34 | 98.1 Ų | 98.1 | 13% | 0.129 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -72 | -29.7 | -178.8 | -58.4 | -18 | 0 | 0 | 0 | 113.9 | R41 Q42 L52 Y56 D71 Q72 K73 S78 | R41-W75 HydrophobicContact CB-CZ2 4.04Å; Q42-W75 VanDerWaalsContact CA-CZ2 3.42Å; Q42-W75 HydrophobicContact CB-CD2 4.31Å; Q42-W75 HydrophobicContact CB-CZ2 3.88Å; Q42-W75 HydrophobicContact CG-CD2 3.88Å; Q42-W75 HydrophobicContact CG-CG 3.88Å; Q42-W75 HydrophobicContact CG-CZ2 4.33Å; L52-W75 HydrophobicContact CD2-CH2 4.05Å; Y56-W75 WeakPolarHBondContact OH-CH2 3.33Å; D71-W75 HydrophobicContact CB-CD2 4.45Å; D71-W75 HydrophobicContact CB-CH2 3.98Å; D71-W75 HydrophobicContact CB-CZ2 3.7Å; D71-W75 HydrophobicContact CB-CZ3 4.45Å; D71-W75 WeakPolarHBondContact O-CB 3.46Å; D71-W75 PolarHBondContact O-N 3.1Å; Q72-W75 PolarHBondContact O-N 3.35Å; K73-W75 PolarHBondContact O-N 3.09Å; W75-S78 PolarHBondContact O-OG 3.41Å; W75-S78 VanDerWaalsContact O-OG 3.09Å |
| 76 | L | 87 | Confident | 84.8 | Confident | 116 Ų | 116 | 93.4 Ų | 93.4 | 61% | 0.607 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.3 | -44.9 | 171.3 | -74 | 167.4 | 0 | 0 | 0 | 110.4 | Q72 K73 S78 K79 | Q72-L76 WeakPolarHBondContact O-CB 3.18Å; Q72-L76 VanDerWaalsContact O-CG 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.45Å; Q72-L76 PolarHBondContact O-N 3.43Å; K73-L76 PolarHBondContact O-N 2.95Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 PolarHBondContact O-N 3.19Å; L76-K79 PolarHBondContact O-N 3.04Å |
| 77 | N | 84.1 | Confident | 84.5 | Confident | 105 Ų | 105 | 97.5 Ų | 97.5 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.7 | -33 | 177.8 | -73.6 | -14.1 | 0 | 0 | 0 | 112.9 | K73 T74 K79 N80 | K73-N77 WeakPolarHBondContact O-CB 3.48Å; K73-N77 PolarHBondContact O-N 3.35Å; T74-N77 PolarHBondContact O-N 3.01Å; N77-K79 PolarHBondContact O-N 3.06Å; N77-N80 PolarHBondContact O-N 3.38Å |
| 78 | S | 76.5 | Confident | 84.2 | Confident | 77 Ų | 77 | 102.6 Ų | 102.6 | 54% | 0.538 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -7 | 178 | 74 | 0 | 0 | 0 | 0 | 114.1 | T74 W75 L76 | T74-S78 WeakPolarHBondContact O-CB 3.44Å; T74-S78 PolarHBondContact O-N 3.09Å; W75-S78 PolarHBondContact O-OG 3.41Å; W75-S78 VanDerWaalsContact O-OG 3.09Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 PolarHBondContact O-N 3.19Å |
| 79 | K | 67.4 | Low | 83.6 | Confident | 174 Ų | 174 | 104.6 Ų | 104.6 | 76% | 0.757 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -15.5 | 178.7 | -90.8 | -177.1 | 172.6 | -176.6 | 0 | 113.3 | L76 N77 | L76-K79 PolarHBondContact O-N 3.04Å; N77-K79 PolarHBondContact O-N 3.06Å |
| 80 | N | 52.7 | Low | 82.9 | Confident | 204 Ų | 204 | 100.6 Ų | 100.6 | 100% | 1.091 | 51% | 0.511 | S | S | * | . | trans | -97.4 | 0 | 176.5 | -79.6 | -5.4 | 0 | 0 | 0 | 110.5 | N77 | N77-N80 PolarHBondContact O-N 3.38Š|
Retrieved 80 of 80 residues in 222.3 ms
(Link to these results)