| 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 | 52.3 | Low | 68.7 | Low | 251 Ų | 251 | 106.2 Ų | 106.2 | 100% | 1.236 | 65% | 0.651 | S | S | * | * | 0 | 130.4 | 0 | -64.7 | -151.8 | -73.1 | 0 | 0 | 107.8 | |||||
| 2 | G | 54.7 | Low | 70.2 | Confident | 80 Ų | 80 | 106.2 Ų | 106.2 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | trans | 138.1 | 22.7 | 168 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 3 | S | 55.4 | Low | 71.5 | Confident | 116 Ų | 116 | 102.7 Ų | 102.7 | 81% | 0.811 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -118.2 | 2.4 | 178.3 | 36.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 4 | G | 52.7 | Low | 73 | Confident | 50 Ų | 50 | 105.2 Ų | 105.2 | 52% | 0.515 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -84.5 | -35.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | S6 | G4-S6 VanDerWaalsContact C-N 3.34Å; G4-S6 PolarHBondContact O-N 2.96Å |
| 5 | A | 58.6 | Low | 74.3 | Confident | 59 Ų | 59 | 108.2 Ų | 108.2 | 49% | 0.488 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.6 | -33.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A7 E8 D9 | A5-A7 VanDerWaalsContact C-N 3.34Å; A5-A7 PolarHBondContact O-N 3.14Å; A5-E8 PolarHBondContact O-N 3.44Å; A5-D9 WeakPolarHBondContact O-CB 3.34Å; A5-D9 PolarHBondContact O-N 3.16Å; A5-D9 VanDerWaalsContact O-OD2 3.08Å |
| 6 | S | 69.4 | Low | 75.5 | Confident | 68 Ų | 68 | 105.8 Ų | 105.8 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.1 | -27.1 | -173.7 | -179.3 | 0 | 0 | 0 | 0 | 114.5 | G4 K10 | G4-S6 VanDerWaalsContact C-N 3.34Å; G4-S6 PolarHBondContact O-N 2.96Å; S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 WeakPolarHBondContact O-CD 3.41Å; S6-K10 VanDerWaalsContact O-CG 3.24Å; S6-K10 WeakPolarHBondContact O-CG 3.35Å; S6-K10 PolarHBondContact O-N 3.17Å |
| 7 | A | 77.3 | Confident | 76.6 | Confident | 69 Ų | 69 | 108.7 Ų | 108.7 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.7 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A5 K10 E11 | A5-A7 VanDerWaalsContact C-N 3.34Å; A5-A7 PolarHBondContact O-N 3.14Å; A7-K10 PolarHBondContact O-N 3.06Å; A7-E11 PolarHBondContact O-N 3.49Å |
| 8 | E | 81.3 | Confident | 77.7 | Confident | 131 Ų | 131 | 108.2 Ų | 108.2 | 61% | 0.612 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.5 | -44.1 | 174.9 | -67.1 | 177.7 | 167.6 | 0 | 0 | 111 | A5 K10 E11 L12 | A5-E8 PolarHBondContact O-N 3.44Å; E8-K10 VanDerWaalsContact C-N 3.29Å; E8-K10 PolarHBondContact O-N 2.79Å; E8-E11 PolarHBondContact O-N 2.91Å; E8-E11 VanDerWaalsContact O-N 3.14Å; E8-L12 WeakPolarHBondContact O-CB 3.41Å; E8-L12 VanDerWaalsContact O-CG 3.3Å; E8-L12 WeakPolarHBondContact O-CG 3.38Å; E8-L12 PolarHBondContact O-N 3.36Å |
| 9 | D | 82.4 | Confident | 78.6 | Confident | 97 Ų | 97 | 108.6 Ų | 108.6 | 52% | 0.519 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.2 | -37 | 176 | -69.9 | -27.2 | 0 | 0 | 0 | 112.3 | A5 A13 | A5-D9 WeakPolarHBondContact O-CB 3.34Å; A5-D9 PolarHBondContact O-N 3.16Å; A5-D9 VanDerWaalsContact O-OD2 3.08Å; D9-A13 VanDerWaalsContact O-CB 3.26Å; D9-A13 WeakPolarHBondContact O-CB 3.43Å; D9-A13 PolarHBondContact O-N 3.49Å |
| 10 | K | 83.5 | Confident | 79.5 | Confident | 147 Ų | 147 | 110.1 Ų | 110.1 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.6 | -38.8 | 175 | -80.6 | 174.8 | -177.8 | 175.7 | 0 | 112.2 | S6 A7 E8 K14 | S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 WeakPolarHBondContact O-CD 3.41Å; S6-K10 VanDerWaalsContact O-CG 3.24Å; S6-K10 WeakPolarHBondContact O-CG 3.35Å; S6-K10 PolarHBondContact O-N 3.17Å; A7-K10 PolarHBondContact O-N 3.06Å; E8-K10 VanDerWaalsContact C-N 3.29Å; E8-K10 PolarHBondContact O-N 2.79Å; K10-K14 WeakPolarHBondContact O-CB 3.41Å; K10-K14 PolarHBondContact O-N 3.31Å |
| 11 | E | 88.2 | Confident | 80.3 | Confident | 100 Ų | 100 | 111.1 Ų | 111.1 | 47% | 0.467 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.1 | -42.8 | 176.1 | -158.6 | -165.6 | 154.2 | 0 | 0 | 110.9 | A7 E8 K14 R15 | A7-E11 PolarHBondContact O-N 3.49Å; E8-E11 PolarHBondContact O-N 2.91Å; E8-E11 VanDerWaalsContact O-N 3.14Å; E11-K14 PolarHBondContact O-N 3.08Å; E11-R15 PolarHBondContact O-N 3.49Å; E11-R15 IonicContact OE1-CZ 2.72Å; E11-R15 IonicContact OE1-NE 2.72Å; E11-R15 PolarHBondContact OE1-NE 3.49Å; E11-R15 IonicContact OE1-NH2 3.34Å; E11-R15 PolarHBondContact OE1-NH2 3.34Å |
| 12 | L | 86.8 | Confident | 82.3 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 56% | 0.555 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.1 | -45.3 | 173.9 | -71.5 | 171.7 | 0 | 0 | 0 | 111.6 | E8 K14 R15 S16 | E8-L12 WeakPolarHBondContact O-CB 3.41Å; E8-L12 VanDerWaalsContact O-CG 3.3Å; E8-L12 WeakPolarHBondContact O-CG 3.38Å; E8-L12 PolarHBondContact O-N 3.36Å; L12-K14 VanDerWaalsContact C-N 3.31Å; L12-K14 PolarHBondContact O-N 2.86Å; L12-R15 PolarHBondContact O-N 2.96Å; L12-S16 WeakPolarHBondContact O-CB 3.36Å; L12-S16 PolarHBondContact O-N 2.95Å |
| 13 | A | 87.4 | Confident | 84.3 | Confident | 61 Ų | 61 | 107.4 Ų | 107.4 | 50% | 0.504 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.2 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D9 S16 K17 | D9-A13 VanDerWaalsContact O-CB 3.26Å; D9-A13 WeakPolarHBondContact O-CB 3.43Å; D9-A13 PolarHBondContact O-N 3.49Å; A13-S16 PolarHBondContact O-N 3.25Å; A13-K17 WeakPolarHBondContact O-CB 3.42Å; A13-K17 PolarHBondContact O-N 3.01Å |
| 14 | K | 91.6 | Very high | 86.3 | Confident | 138 Ų | 138 | 107.2 Ų | 107.2 | 60% | 0.6 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66 | -46.6 | 175.9 | -168.8 | -176.9 | 176.1 | -168.9 | 0 | 111.4 | K10 E11 L12 S16 K17 E18 | K10-K14 WeakPolarHBondContact O-CB 3.41Å; K10-K14 PolarHBondContact O-N 3.31Å; E11-K14 PolarHBondContact O-N 3.08Å; L12-K14 VanDerWaalsContact C-N 3.31Å; L12-K14 PolarHBondContact O-N 2.86Å; K14-S16 VanDerWaalsContact C-N 3.34Å; K14-S16 PolarHBondContact O-N 3.01Å; K14-K17 PolarHBondContact O-N 3.43Å; K14-E18 WeakPolarHBondContact CE-OE1 3.32Å; K14-E18 WeakPolarHBondContact O-CG 3.31Å; K14-E18 PolarHBondContact O-N 3.38Å |
| 15 | R | 93.1 | Very high | 88.3 | Confident | 150 Ų | 150 | 108.5 Ų | 108.5 | 57% | 0.566 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 174.6 | -75.2 | -176.3 | -172.9 | -178.9 | 4.7 | 111.9 | E11 L12 E18 L19 | E11-R15 PolarHBondContact O-N 3.49Å; E11-R15 IonicContact OE1-CZ 2.72Å; E11-R15 IonicContact OE1-NE 2.72Å; E11-R15 PolarHBondContact OE1-NE 3.49Å; E11-R15 IonicContact OE1-NH2 3.34Å; E11-R15 PolarHBondContact OE1-NH2 3.34Å; L12-R15 PolarHBondContact O-N 2.96Å; R15-E18 PolarHBondContact O-N 3.35Å; R15-L19 WeakPolarHBondContact O-CB 3.35Å; R15-L19 PolarHBondContact O-N 3.5Å |
| 16 | S | 93.2 | Very high | 90.1 | Very high | 69 Ų | 69 | 109.9 Ų | 109.9 | 48% | 0.483 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 177.2 | -166 | 0 | 0 | 0 | 0 | 111.1 | L12 A13 K14 E18 L19 E20 | L12-S16 WeakPolarHBondContact O-CB 3.36Å; L12-S16 PolarHBondContact O-N 2.95Å; A13-S16 PolarHBondContact O-N 3.25Å; K14-S16 VanDerWaalsContact C-N 3.34Å; K14-S16 PolarHBondContact O-N 3.01Å; S16-E18 VanDerWaalsContact C-N 3.34Å; S16-E18 PolarHBondContact O-N 3.44Å; S16-L19 WeakPolarHBondContact O-CB 3.47Å; S16-L19 PolarHBondContact O-N 3.45Å; S16-E20 WeakPolarHBondContact O-CB 3.5Å; S16-E20 PolarHBondContact O-N 3.46Å |
| 17 | K | 94.6 | Very high | 91.3 | Very high | 156 Ų | 156 | 108.9 Ų | 108.9 | 68% | 0.678 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 177.6 | -171.6 | 176.4 | -178.4 | 177.4 | 0 | 112.6 | A13 K14 K21 | A13-K17 WeakPolarHBondContact O-CB 3.42Å; A13-K17 PolarHBondContact O-N 3.01Å; K14-K17 PolarHBondContact O-N 3.43Å; K17-K21 WeakPolarHBondContact O-CB 3.47Å; K17-K21 PolarHBondContact O-N 2.91Å |
| 18 | E | 95.5 | Very high | 92.1 | Very high | 100 Ų | 100 | 109.3 Ų | 109.3 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 174 | -73.8 | 171.9 | -170.4 | 0 | 0 | 111.9 | K14 R15 S16 K21 K22 | K14-E18 WeakPolarHBondContact CE-OE1 3.32Å; K14-E18 WeakPolarHBondContact O-CG 3.31Å; K14-E18 PolarHBondContact O-N 3.38Å; R15-E18 PolarHBondContact O-N 3.35Å; S16-E18 VanDerWaalsContact C-N 3.34Å; S16-E18 PolarHBondContact O-N 3.44Å; E18-K21 PolarHBondContact O-N 2.68Å; E18-K22 WeakPolarHBondContact O-CG 3.42Å; E18-K22 PolarHBondContact O-N 2.91Å; E18-K22 VanDerWaalsContact O-N 3.07Å |
| 19 | L | 95.6 | Very high | 92.8 | Very high | 116 Ų | 116 | 108.8 Ų | 108.8 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -45.6 | 176.3 | -158.6 | 85.7 | 0 | 0 | 0 | 111.3 | R15 S16 K21 K22 L23 | R15-L19 WeakPolarHBondContact O-CB 3.35Å; R15-L19 PolarHBondContact O-N 3.5Å; S16-L19 WeakPolarHBondContact O-CB 3.47Å; S16-L19 PolarHBondContact O-N 3.45Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 3.07Å; L19-K22 WeakPolarHBondContact O-CB 3.37Å; L19-K22 PolarHBondContact O-N 3.05Å; L19-K22 VanDerWaalsContact O-N 3.16Å; L19-L23 PolarHBondContact O-N 3.49Å |
| 20 | E | 95.4 | Very high | 93.3 | Very high | 138 Ų | 138 | 109.5 Ų | 109.5 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -37.9 | -179.8 | -154.8 | 159.4 | -145.4 | 0 | 0 | 111.5 | S16 L23 Q24 | S16-E20 WeakPolarHBondContact O-CB 3.5Å; S16-E20 PolarHBondContact O-N 3.46Å; E20-L23 PolarHBondContact O-N 2.96Å; E20-Q24 PolarHBondContact O-N 2.92Å |
| 21 | K | 96.3 | Very high | 93.8 | Very high | 132 Ų | 132 | 106.8 Ų | 106.8 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 170.9 | -169.8 | -179.6 | -175.1 | -88.6 | 0 | 112 | K17 E18 L19 L23 Q24 E25 | K17-K21 WeakPolarHBondContact O-CB 3.47Å; K17-K21 PolarHBondContact O-N 2.91Å; E18-K21 PolarHBondContact O-N 2.68Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 3.07Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-Q24 PolarHBondContact O-N 2.72Å; K21-E25 IonicContact NZ-OE1 2.73Å; K21-E25 PolarHBondContact NZ-OE1 3.44Å; K21-E25 WeakPolarHBondContact O-CG 3.37Å; K21-E25 PolarHBondContact O-N 2.93Å |
| 22 | K | 96.1 | Very high | 94.1 | Very high | 130 Ų | 130 | 110.3 Ų | 110.3 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.1 | -41.9 | 176.4 | -74.9 | -179.9 | 178.9 | -180 | 0 | 111.5 | E18 L19 Q24 E25 D26 | E18-K22 WeakPolarHBondContact O-CG 3.42Å; E18-K22 PolarHBondContact O-N 2.91Å; E18-K22 VanDerWaalsContact O-N 3.07Å; L19-K22 WeakPolarHBondContact O-CB 3.37Å; L19-K22 PolarHBondContact O-N 3.05Å; L19-K22 VanDerWaalsContact O-N 3.16Å; K22-Q24 VanDerWaalsContact C-N 3.32Å; K22-Q24 PolarHBondContact O-N 2.86Å; K22-E25 PolarHBondContact O-N 3.2Å; K22-D26 WeakPolarHBondContact O-CB 3.26Å; K22-D26 PolarHBondContact O-N 3.31Å |
| 23 | L | 96.4 | Very high | 94.4 | Very high | 123 Ų | 123 | 109.2 Ų | 109.2 | 64% | 0.644 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.8 | -44.5 | 178.5 | -140.8 | 89.4 | 0 | 0 | 0 | 111.4 | L19 E20 K21 D26 A27 | L19-L23 PolarHBondContact O-N 3.49Å; E20-L23 PolarHBondContact O-N 2.96Å; K21-L23 VanDerWaalsContact C-N 3.33Å; L23-D26 PolarHBondContact O-N 3.44Å; L23-A27 WeakPolarHBondContact O-CB 3.46Å; L23-A27 PolarHBondContact O-N 3.01Å |
| 24 | Q | 96.1 | Very high | 94.7 | Very high | 112 Ų | 112 | 112.2 Ų | 112.2 | 52% | 0.523 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -43.2 | 176.9 | -172.5 | 61.9 | 46.6 | 0 | 0 | 111.9 | E20 K21 K22 D26 A27 D28 | E20-Q24 PolarHBondContact O-N 2.92Å; K21-Q24 PolarHBondContact O-N 2.72Å; K22-Q24 VanDerWaalsContact C-N 3.32Å; K22-Q24 PolarHBondContact O-N 2.86Å; Q24-D26 VanDerWaalsContact C-N 3.32Å; Q24-D26 PolarHBondContact O-N 3.16Å; Q24-A27 PolarHBondContact O-N 3.22Å; Q24-D28 PolarHBondContact NE2-OD1 3.48Å; Q24-D28 VanDerWaalsContact O-CG 3.32Å; Q24-D28 PolarHBondContact O-N 3.36Å |
| 25 | E | 96.2 | Very high | 94.8 | Very high | 77 Ų | 77 | 113 Ų | 113 | 36% | 0.36 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.2 | -40.1 | 176.9 | -74.5 | 174.1 | -171.6 | 0 | 0 | 112.2 | K21 K22 D28 K29 | K21-E25 IonicContact NZ-OE1 2.73Å; K21-E25 PolarHBondContact NZ-OE1 3.44Å; K21-E25 WeakPolarHBondContact O-CG 3.37Å; K21-E25 PolarHBondContact O-N 2.93Å; K22-E25 PolarHBondContact O-N 3.2Å; E25-D28 PolarHBondContact O-N 3.14Å; E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 2.91Å; E25-K29 VanDerWaalsContact O-N 3.08Å |
| 26 | D | 94.9 | Very high | 94.9 | Very high | 87 Ų | 87 | 113.2 Ų | 113.2 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.2 | -36.4 | 178.5 | -69.5 | -19.9 | 0 | 0 | 0 | 111.8 | K22 L23 Q24 D28 K29 E30 | K22-D26 WeakPolarHBondContact O-CB 3.26Å; K22-D26 PolarHBondContact O-N 3.31Å; L23-D26 PolarHBondContact O-N 3.44Å; Q24-D26 VanDerWaalsContact C-N 3.32Å; Q24-D26 PolarHBondContact O-N 3.16Å; D26-D28 PolarHBondContact O-N 2.99Å; D26-K29 PolarHBondContact O-N 3.2Å; D26-K29 IonicContact OD1-NZ 2.96Å; D26-K29 PolarHBondContact OD1-NZ 2.9Å; D26-E30 WeakPolarHBondContact O-CB 3.37Å; D26-E30 PolarHBondContact O-N 3.3Å |
| 27 | A | 95.1 | Very high | 94.9 | Very high | 48 Ų | 48 | 116.7 Ų | 116.7 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.7 | -43.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L23 Q24 K29 E30 A31 | L23-A27 WeakPolarHBondContact O-CB 3.46Å; L23-A27 PolarHBondContact O-N 3.01Å; Q24-A27 PolarHBondContact O-N 3.22Å; A27-K29 PolarHBondContact O-N 3.45Å; A27-E30 PolarHBondContact O-N 2.97Å; A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 3.47Å |
| 28 | D | 95.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 113.3 Ų | 113.3 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.8 | -35.5 | 178 | -71.5 | -9.5 | 0 | 0 | 0 | 112.3 | Q24 E25 D26 K32 | Q24-D28 PolarHBondContact NE2-OD1 3.48Å; Q24-D28 VanDerWaalsContact O-CG 3.32Å; Q24-D28 PolarHBondContact O-N 3.36Å; E25-D28 PolarHBondContact O-N 3.14Å; D26-D28 PolarHBondContact O-N 2.99Å; D28-K32 WeakPolarHBondContact O-CD 3.24Å; D28-K32 WeakPolarHBondContact O-CG 3.49Å; D28-K32 PolarHBondContact O-N 2.83Å |
| 29 | K | 94.8 | Very high | 94.9 | Very high | 120 Ų | 120 | 115.4 Ų | 115.4 | 52% | 0.522 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.6 | -44.7 | 173.5 | -72.7 | 172.9 | -156.3 | 152.5 | 0 | 111.2 | E25 D26 A27 A31 K32 T33 | E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 2.91Å; E25-K29 VanDerWaalsContact O-N 3.08Å; D26-K29 PolarHBondContact O-N 3.2Å; D26-K29 IonicContact OD1-NZ 2.96Å; D26-K29 PolarHBondContact OD1-NZ 2.9Å; A27-K29 PolarHBondContact O-N 3.45Å; K29-A31 VanDerWaalsContact C-N 3.34Å; K29-A31 PolarHBondContact O-N 3.47Å; K29-K32 PolarHBondContact O-N 3.33Å; K29-K32 VanDerWaalsContact O-N 3.16Å; K29-T33 PolarHBondContact O-N 3.42Å; K29-T33 VanDerWaalsContact O-N 3.14Å; K29-T33 PolarHBondContact O-OG1 2.96Å |
| 30 | E | 93.5 | Very high | 94.8 | Very high | 113 Ų | 113 | 112 Ų | 112 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.7 | -41.7 | 179.7 | -174.6 | 170 | -167.5 | 0 | 0 | 111 | D26 A27 K32 T33 K35 | D26-E30 WeakPolarHBondContact O-CB 3.37Å; D26-E30 PolarHBondContact O-N 3.3Å; A27-E30 PolarHBondContact O-N 2.97Å; E30-K32 PolarHBondContact O-N 2.89Å; E30-T33 WeakPolarHBondContact O-CB 3.44Å; E30-T33 PolarHBondContact O-N 3.24Å; E30-K35 IonicContact OE1-NZ 2.68Å; E30-K35 PolarHBondContact OE1-NZ 2.89Å |
| 31 | A | 93.8 | Very high | 94.8 | Very high | 90 Ų | 90 | 109 Ų | 109 | 74% | 0.744 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.2 | -27.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A27 K29 | A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 3.47Å; K29-A31 VanDerWaalsContact C-N 3.34Å; K29-A31 PolarHBondContact O-N 3.47Å |
| 32 | K | 94.7 | Very high | 94.5 | Very high | 174 Ų | 174 | 106 Ų | 106 | 76% | 0.757 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -91.2 | -7.7 | 176.7 | -66.4 | 169.7 | -172.7 | 169 | 0 | 113.3 | D28 K29 E30 | D28-K32 WeakPolarHBondContact O-CD 3.24Å; D28-K32 WeakPolarHBondContact O-CG 3.49Å; D28-K32 PolarHBondContact O-N 2.83Å; K29-K32 PolarHBondContact O-N 3.33Å; K29-K32 VanDerWaalsContact O-N 3.16Å; E30-K32 PolarHBondContact O-N 2.89Å |
| 33 | T | 93.6 | Very high | 94.2 | Very high | 83 Ų | 83 | 109.6 Ų | 109.6 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -84.7 | 124.5 | -176 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | K29 E30 | K29-T33 PolarHBondContact O-N 3.42Å; K29-T33 VanDerWaalsContact O-N 3.14Å; K29-T33 PolarHBondContact O-OG1 2.96Å; E30-T33 WeakPolarHBondContact O-CB 3.44Å; E30-T33 PolarHBondContact O-N 3.24Å |
| 34 | V | 93.9 | Very high | 94.1 | Very high | 123 Ų | 123 | 106.8 Ų | 106.8 | 75% | 0.745 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 116.9 | 173.6 | -179 | 0 | 0 | 0 | 0 | 109.3 | L36 | V34-L36 HydrophobicContact CG1-CD2 4.13Å; V34-L36 HydrophobicContact CG1-CG 4.45Å |
| 35 | K | 93.5 | Very high | 94 | Very high | 156 Ų | 156 | 102.6 Ų | 102.6 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 125.9 | 176.6 | -63.5 | -179.6 | -176.2 | 175.1 | 0 | 109.9 | E30 | E30-K35 IonicContact OE1-NZ 2.68Å; E30-K35 PolarHBondContact OE1-NZ 2.89Å |
| 36 | L | 93.4 | Very high | 94 | Very high | 153 Ų | 153 | 101.9 Ų | 101.9 | 80% | 0.801 | 58% | 0.582 | S | S | * | * | trans | -113.9 | 136.8 | 178.6 | -61.7 | 175.6 | 0 | 0 | 0 | 110 | V34 | V34-L36 HydrophobicContact CG1-CD2 4.13Å; V34-L36 HydrophobicContact CG1-CG 4.45Å | ||
| 37 | L | 95 | Very high | 94 | Very high | 143 Ų | 143 | 101.8 Ų | 101.8 | 75% | 0.749 | 59% | 0.588 | S | S | * | * | trans | -112.2 | 118.4 | 175.4 | -177.5 | 62.6 | 0 | 0 | 0 | 109.8 | L39 | L37-L39 HydrophobicContact CD1-CD2 4.34Å; L37-L39 HydrophobicContact CD2-CD1 4.42Å; L37-L39 HydrophobicContact CD2-CD2 3.83Å; L37-L39 HydrophobicContact CD2-CG 4.2Å; L37-L39 HydrophobicContact CG-CD2 3.84Å; L37-L39 HydrophobicContact CG-CG 4.08Å | ||
| 38 | L | 93.9 | Very high | 94 | Very high | 84 Ų | 84 | 103.5 Ų | 103.5 | 44% | 0.44 | 59% | 0.594 | S | S | . | * | trans | -92.7 | 114.6 | 175 | -73.4 | 162.3 | 0 | 0 | 0 | 109.5 | K46 I49 V50 | L38-K46 WeakPolarHBondContact O-CD 3.49Å; L38-I49 HydrophobicContact CD1-CG2 4.21Å; L38-I49 HydrophobicContact CD2-CG2 4.43Å; L38-V50 HydrophobicContact CD1-CG2 3.7Å | ||
| 39 | L | 95.4 | Very high | 94.1 | Very high | 145 Ų | 145 | 104 Ų | 104 | 76% | 0.759 | 60% | 0.596 | S | S | * | * | trans | -107.2 | 148.3 | 178.9 | -62.4 | 178.1 | 0 | 0 | 0 | 111.2 | L37 | L37-L39 HydrophobicContact CD1-CD2 4.34Å; L37-L39 HydrophobicContact CD2-CD1 4.42Å; L37-L39 HydrophobicContact CD2-CD2 3.83Å; L37-L39 HydrophobicContact CD2-CG 4.2Å; L37-L39 HydrophobicContact CG-CD2 3.84Å; L37-L39 HydrophobicContact CG-CG 4.08Å | ||
| 40 | G | 94.1 | Very high | 94 | Very high | 45 Ų | 45 | 102.4 Ų | 102.4 | 46% | 0.464 | 60% | 0.596 | S | S | . | * | trans | 165.7 | 160.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K46 | G40-K46 PolarHBondContact O-NZ 3.14Š| ||
| 41 | A | 94.4 | Very high | 94.1 | Very high | 74 Ų | 74 | 101.5 Ų | 101.5 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -57.3 | 166.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E43 S44 K46 | A41-E43 PolarHBondContact O-N 2.99Å; A41-S44 VanDerWaalsContact O-CB 3.27Å; A41-S44 WeakPolarHBondContact O-CB 3.37Å; A41-S44 PolarHBondContact O-N 3.28Å; A41-S44 PolarHBondContact O-OG 3.34Å; A41-S44 VanDerWaalsContact O-OG 3.09Å; A41-K46 PolarHBondContact O-NZ 3.34Å |
| 42 | G | 91.1 | Very high | 94.3 | Very high | 69 Ų | 69 | 101.6 Ų | 101.6 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.2 | 141.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S44 | G42-S44 PolarHBondContact O-N 3.31Š|
| 43 | E | 88.8 | Confident | 94.4 | Very high | 205 Ų | 205 | 97.8 Ų | 97.8 | 96% | 0.958 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.7 | 6.1 | 175 | -56.7 | 171.7 | -169 | 0 | 0 | 116.5 | A41 G45 | A41-E43 PolarHBondContact O-N 2.99Å; E43-G45 PolarHBondContact O-N 3.25Å |
| 44 | S | 94.3 | Very high | 94.5 | Very high | 64 Ų | 64 | 95.7 Ų | 95.7 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -68.6 | 11.9 | -179.4 | 78.6 | 0 | 0 | 0 | 0 | 115.6 | A41 G42 K46 | A41-S44 VanDerWaalsContact O-CB 3.27Å; A41-S44 WeakPolarHBondContact O-CB 3.37Å; A41-S44 PolarHBondContact O-N 3.28Å; A41-S44 PolarHBondContact O-OG 3.34Å; A41-S44 VanDerWaalsContact O-OG 3.09Å; G42-S44 PolarHBondContact O-N 3.31Å; S44-K46 PolarHBondContact OG-NZ 2.93Å |
| 45 | G | 94.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 93.8 Ų | 93.8 | 26% | 0.258 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 82 | 12.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | E43 S47 T48 I49 | E43-G45 PolarHBondContact O-N 3.25Å; G45-S47 PolarHBondContact O-N 2.93Å; G45-T48 WeakPolarHBondContact O-CA 3.29Å; G45-T48 VanDerWaalsContact O-CB 3.26Å; G45-T48 WeakPolarHBondContact O-CB 3.43Å; G45-T48 PolarHBondContact O-N 3.13Å; G45-I49 PolarHBondContact O-N 3.31Å |
| 46 | K | 96.3 | Very high | 94.8 | Very high | 61 Ų | 61 | 91.7 Ų | 91.7 | 27% | 0.265 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -54.2 | -48.6 | 178.3 | -66 | -178.8 | -65 | -71.2 | 0 | 112.6 | L38 G40 A41 S44 T48 I49 V50 | L38-K46 WeakPolarHBondContact O-CD 3.49Å; G40-K46 PolarHBondContact O-NZ 3.14Å; A41-K46 PolarHBondContact O-NZ 3.34Å; S44-K46 PolarHBondContact OG-NZ 2.93Å; K46-T48 PolarHBondContact O-N 3.13Å; K46-I49 PolarHBondContact O-N 3.28Å; K46-V50 PolarHBondContact O-N 2.82Å; K46-V50 VanDerWaalsContact O-N 3.14Å |
| 47 | S | 93.9 | Very high | 94.9 | Very high | 85 Ų | 85 | 90.5 Ų | 90.5 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -34.8 | 177 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | G45 V50 K51 | G45-S47 PolarHBondContact O-N 2.93Å; S47-V50 PolarHBondContact O-N 3.44Å; S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 2.96Å; S47-K51 PolarHBondContact O-N 3.45Å |
| 48 | T | 95.9 | Very high | 94.8 | Very high | 84 Ų | 84 | 89.8 Ų | 89.8 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.6 | -48.2 | 0 | 0 | 0 | 0 | 111.4 | G45 K46 V50 K51 Q52 | G45-T48 WeakPolarHBondContact O-CA 3.29Å; G45-T48 VanDerWaalsContact O-CB 3.26Å; G45-T48 WeakPolarHBondContact O-CB 3.43Å; G45-T48 PolarHBondContact O-N 3.13Å; K46-T48 PolarHBondContact O-N 3.13Å; T48-V50 VanDerWaalsContact C-N 3.35Å; T48-V50 PolarHBondContact O-N 2.69Å; T48-K51 PolarHBondContact O-N 3.09Å; T48-Q52 WeakPolarHBondContact O-CG 3.26Å; T48-Q52 PolarHBondContact O-N 3Å |
| 49 | I | 96.2 | Very high | 94.9 | Very high | 88 Ų | 88 | 94 Ų | 94 | 45% | 0.451 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.3 | -66.6 | 173.8 | 0 | 0 | 0 | 110.5 | L38 G45 K46 K51 Q52 M53 | L38-I49 HydrophobicContact CD1-CG2 4.21Å; L38-I49 HydrophobicContact CD2-CG2 4.43Å; G45-I49 PolarHBondContact O-N 3.31Å; K46-I49 PolarHBondContact O-N 3.28Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.16Å; I49-Q52 PolarHBondContact O-N 3.38Å; I49-M53 WeakPolarHBondContact O-CG 3.25Å; I49-M53 PolarHBondContact O-N 2.99Å |
| 50 | V | 94.3 | Very high | 94.9 | Very high | 87 Ų | 87 | 88 Ų | 88 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | L38 K46 S47 T48 Q52 M53 K54 | L38-V50 HydrophobicContact CD1-CG2 3.7Å; K46-V50 PolarHBondContact O-N 2.82Å; K46-V50 VanDerWaalsContact O-N 3.14Å; S47-V50 PolarHBondContact O-N 3.44Å; T48-V50 VanDerWaalsContact C-N 3.35Å; T48-V50 PolarHBondContact O-N 2.69Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; V50-Q52 PolarHBondContact O-N 3.36Å; V50-M53 WeakPolarHBondContact O-CB 3.43Å; V50-M53 PolarHBondContact O-N 2.85Å; V50-K54 PolarHBondContact O-N 3.31Å; V50-K54 VanDerWaalsContact O-N 3.16Å |
| 51 | K | 95.3 | Very high | 95 | Very high | 94 Ų | 94 | 89 Ų | 89 | 41% | 0.409 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 175.3 | -69.8 | 178.1 | 178.1 | -177.7 | 0 | 111.9 | S47 T48 I49 K54 I55 Y61 | S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 2.96Å; S47-K51 PolarHBondContact O-N 3.45Å; T48-K51 PolarHBondContact O-N 3.09Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.16Å; K51-K54 PolarHBondContact O-N 3.3Å; K51-I55 WeakPolarHBondContact O-CG1 3.27Å; K51-I55 PolarHBondContact O-N 2.92Å; K51-I55 VanDerWaalsContact O-N 3.13Å; K51-Y61 WeakPolarHBondContact CA-OH 3.44Å; K51-Y61 WeakPolarHBondContact CB-OH 3.48Å; K51-Y61 WeakPolarHBondContact CG-OH 3.47Å |
| 52 | Q | 97.8 | Very high | 95.1 | Very high | 92 Ų | 92 | 87.5 Ų | 87.5 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 175.8 | -71.1 | -61.7 | -26.4 | 0 | 0 | 112.4 | T48 I49 V50 K54 I55 I56 | T48-Q52 WeakPolarHBondContact O-CG 3.26Å; T48-Q52 PolarHBondContact O-N 3Å; I49-Q52 PolarHBondContact O-N 3.38Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; V50-Q52 PolarHBondContact O-N 3.36Å; Q52-K54 VanDerWaalsContact C-N 3.25Å; Q52-K54 PolarHBondContact O-N 2.85Å; Q52-I55 PolarHBondContact O-N 3.34Å; Q52-I55 VanDerWaalsContact O-N 3.13Å; Q52-I56 HydrophobicContact CB-CD1 4.49Å; Q52-I56 VanDerWaalsContact O-CG1 3.29Å; Q52-I56 WeakPolarHBondContact O-CG1 3.33Å; Q52-I56 PolarHBondContact O-N 2.92Å |
| 53 | M | 96.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 88.6 Ų | 88.6 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 174.5 | -72 | -65.2 | -73.2 | 0 | 0 | 111.7 | I49 V50 I56 H57 | I49-M53 WeakPolarHBondContact O-CG 3.25Å; I49-M53 PolarHBondContact O-N 2.99Å; V50-M53 WeakPolarHBondContact O-CB 3.43Å; V50-M53 PolarHBondContact O-N 2.85Å; M53-I56 PolarHBondContact O-N 2.91Å; M53-H57 VanDerWaalsContact O-CB 3.31Å; M53-H57 WeakPolarHBondContact O-CB 3.32Å; M53-H57 PolarHBondContact O-N 3.42Å |
| 54 | K | 95.6 | Very high | 95.5 | Very high | 39 Ų | 39 | 84.5 Ų | 84.5 | 17% | 0.17 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 173.8 | 171.8 | 153.9 | 177 | 166.6 | 0 | 112.2 | V50 K51 Q52 I56 Q58 G60 Y61 E65 | V50-K54 PolarHBondContact O-N 3.31Å; V50-K54 VanDerWaalsContact O-N 3.16Å; K51-K54 PolarHBondContact O-N 3.3Å; Q52-K54 VanDerWaalsContact C-N 3.25Å; Q52-K54 PolarHBondContact O-N 2.85Å; K54-I56 VanDerWaalsContact C-N 3.34Å; K54-I56 PolarHBondContact O-N 3.32Å; K54-Q58 HydrophobicContact CG-CB 4.2Å; K54-Q58 CarbonylContact O-C 3.39Å; K54-Q58 WeakPolarHBondContact O-CA 3.43Å; K54-Q58 WeakPolarHBondContact O-CB 3.3Å; K54-Q58 PolarHBondContact O-N 2.72Å; K54-G60 WeakPolarHBondContact CE-O 3.38Å; K54-G60 PolarHBondContact O-N 3.37Å; K54-Y61 HydrophobicContact CD-CD1 4.02Å; K54-Y61 HydrophobicContact CD-CE1 3.53Å; K54-Y61 HydrophobicContact CD-CE2 4.43Å; K54-Y61 VanDerWaalsContact CE-CD1 3.47Å; K54-Y61 HydrophobicContact CG-CE1 4.24Å; K54-Y61 HydrophobicContact CG-CE2 4.26Å; K54-E65 WeakPolarHBondContact CE-OE2 3.44Å; K54-E65 IonicContact NZ-OE1 3.53Å; K54-E65 PolarHBondContact NZ-OE1 3.3Å; K54-E65 IonicContact NZ-OE2 3.43Å; K54-E65 PolarHBondContact NZ-OE2 3.46Å |
| 55 | I | 96.4 | Very high | 95.4 | Very high | 82 Ų | 82 | 84.3 Ų | 84.3 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 177.2 | -66 | 165.9 | 0 | 0 | 0 | 111.9 | K51 Q52 Y61 | K51-I55 WeakPolarHBondContact O-CG1 3.27Å; K51-I55 PolarHBondContact O-N 2.92Å; K51-I55 VanDerWaalsContact O-N 3.13Å; Q52-I55 PolarHBondContact O-N 3.34Å; Q52-I55 VanDerWaalsContact O-N 3.13Å; I55-Y61 HydrophobicContact CD1-CE2 4.3Å; I55-Y61 HydrophobicContact CG1-CD2 4.21Å; I55-Y61 HydrophobicContact CG1-CE2 3.92Å |
| 56 | I | 97.3 | Very high | 95.3 | Very high | 113 Ų | 113 | 86.2 Ų | 86.2 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -83.4 | -32.4 | -172.6 | -60.3 | 164.3 | 0 | 0 | 0 | 111.9 | Q52 M53 K54 | Q52-I56 HydrophobicContact CB-CD1 4.49Å; Q52-I56 VanDerWaalsContact O-CG1 3.29Å; Q52-I56 WeakPolarHBondContact O-CG1 3.33Å; Q52-I56 PolarHBondContact O-N 2.92Å; M53-I56 PolarHBondContact O-N 2.91Å; K54-I56 VanDerWaalsContact C-N 3.34Å; K54-I56 PolarHBondContact O-N 3.32Å |
| 57 | H | 95.4 | Very high | 95.1 | Very high | 128 Ų | 128 | 88.1 Ų | 88.1 | 59% | 0.593 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -123.5 | -4.3 | -168.2 | -58.9 | -67.6 | 0 | 0 | 0 | 115.7 | M53 | M53-H57 VanDerWaalsContact O-CB 3.31Å; M53-H57 WeakPolarHBondContact O-CB 3.32Å; M53-H57 PolarHBondContact O-N 3.42Å |
| 58 | Q | 93.9 | Very high | 94.9 | Very high | 128 Ų | 128 | 91 Ų | 91 | 60% | 0.598 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -135.5 | 39.6 | -177.4 | -57.6 | -176.6 | 7.5 | 0 | 0 | 112.5 | K54 G60 | K54-Q58 HydrophobicContact CG-CB 4.2Å; K54-Q58 CarbonylContact O-C 3.39Å; K54-Q58 WeakPolarHBondContact O-CA 3.43Å; K54-Q58 WeakPolarHBondContact O-CB 3.3Å; K54-Q58 PolarHBondContact O-N 2.72Å; Q58-G60 PolarHBondContact O-N 2.83Å |
| 59 | D | 94.8 | Very high | 94.6 | Very high | 173 Ų | 173 | 89.8 Ų | 89.8 | 93% | 0.925 | 46% | 0.459 | S | S | * | . | trans | 58.1 | 17 | 174.6 | -57.2 | -51.4 | 0 | 0 | 0 | 115.9 | ||||
| 60 | G | 95.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 90.9 Ų | 90.9 | 18% | 0.175 | 46% | 0.46 | C | S | . | . | trans | 79.8 | -153.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K54 Q58 | K54-G60 WeakPolarHBondContact CE-O 3.38Å; K54-G60 PolarHBondContact O-N 3.37Å; Q58-G60 PolarHBondContact O-N 2.83Å | ||
| 61 | Y | 96.3 | Very high | 93.8 | Very high | 67 Ų | 67 | 89.3 Ų | 89.3 | 26% | 0.263 | 46% | 0.457 | S | S | . | . | trans | -109.7 | 137.5 | -178.7 | -71.2 | -83.4 | 0 | 0 | 0 | 110.4 | K51 K54 I55 E65 F69 | K51-Y61 WeakPolarHBondContact CA-OH 3.44Å; K51-Y61 WeakPolarHBondContact CB-OH 3.48Å; K51-Y61 WeakPolarHBondContact CG-OH 3.47Å; K54-Y61 HydrophobicContact CD-CD1 4.02Å; K54-Y61 HydrophobicContact CD-CE1 3.53Å; K54-Y61 HydrophobicContact CD-CE2 4.43Å; K54-Y61 VanDerWaalsContact CE-CD1 3.47Å; K54-Y61 HydrophobicContact CG-CE1 4.24Å; K54-Y61 HydrophobicContact CG-CE2 4.26Å; I55-Y61 HydrophobicContact CD1-CE2 4.3Å; I55-Y61 HydrophobicContact CG1-CD2 4.21Å; I55-Y61 HydrophobicContact CG1-CE2 3.92Å; Y61-E65 WeakPolarHBondContact CA-OE2 3.1Å; Y61-E65 HydrophobicContact CD1-CB 4.2Å; Y61-F69 AromaticContact CD1-CE2 3.69Å; Y61-F69 HydrophobicContact CD1-CE2 3.69Å; Y61-F69 HydrophobicContact CD1-CZ 4.36Å; Y61-F69 AromaticContact CE1-CE2 3.65Å; Y61-F69 HydrophobicContact CE1-CE2 3.65Å; Y61-F69 AromaticContact CE1-CZ 3.86Å; Y61-F69 HydrophobicContact CE1-CZ 3.86Å; Y61-F69 HydrophobicContact CG-CE2 4.4Å | ||
| 62 | S | 96.5 | Very high | 93.4 | Very high | 42 Ų | 42 | 89 Ų | 89 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | trans | -72.1 | 160.7 | 174.5 | 92.3 | 0 | 0 | 0 | 0 | 111.2 | E64 E65 C66 | S62-E64 VanDerWaalsContact CB-OE2 3.25Å; S62-E64 WeakPolarHBondContact CB-OE2 3.25Å; S62-E64 PolarHBondContact O-N 3Å; S62-E64 PolarHBondContact OG-N 2.98Å; S62-E64 PolarHBondContact OG-OE2 3.32Å; S62-E65 PolarHBondContact N-OE2 3.23Å; S62-E65 PolarHBondContact O-N 2.57Å; S62-E65 PolarHBondContact OG-N 3.26Å; S62-C66 PolarHBondContact O-N 3.2Å; S62-C66 PolarHBondContact O-SG 3.24Å | ||
| 63 | P | 95.6 | Very high | 93.1 | Very high | 92 Ų | 92 | 89.2 Ų | 89.2 | 60% | 0.597 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -55.7 | -37.9 | 173.1 | -26 | 35.8 | 0 | 0 | 0 | 113 | C66 L67 | P63-C66 WeakPolarHBondContact O-CB 3.49Å; P63-C66 PolarHBondContact O-N 3.38Å; P63-L67 WeakPolarHBondContact O-CG 3.38Å; P63-L67 PolarHBondContact O-N 3.4Å |
| 64 | E | 94.4 | Very high | 92.7 | Very high | 119 Ų | 119 | 91 Ų | 91 | 56% | 0.556 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.9 | -46.1 | 178.6 | -57.8 | 71.7 | -152.9 | 0 | 0 | 110.8 | S62 C66 L67 E68 | S62-E64 VanDerWaalsContact CB-OE2 3.25Å; S62-E64 WeakPolarHBondContact CB-OE2 3.25Å; S62-E64 PolarHBondContact O-N 3Å; S62-E64 PolarHBondContact OG-N 2.98Å; S62-E64 PolarHBondContact OG-OE2 3.32Å; E64-C66 VanDerWaalsContact C-N 3.28Å; E64-C66 PolarHBondContact O-N 3.38Å; E64-L67 WeakPolarHBondContact O-CB 3.38Å; E64-L67 PolarHBondContact O-N 3.2Å; E64-E68 PolarHBondContact O-N 3.07Å |
| 65 | E | 91.6 | Very high | 92.2 | Very high | 60 Ų | 60 | 90.2 Ų | 90.2 | 28% | 0.28 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 175.3 | -63.4 | -178.4 | 128.6 | 0 | 0 | 111.7 | K54 Y61 S62 L67 E68 F69 | K54-E65 WeakPolarHBondContact CE-OE2 3.44Å; K54-E65 IonicContact NZ-OE1 3.53Å; K54-E65 PolarHBondContact NZ-OE1 3.3Å; K54-E65 IonicContact NZ-OE2 3.43Å; K54-E65 PolarHBondContact NZ-OE2 3.46Å; Y61-E65 WeakPolarHBondContact CA-OE2 3.1Å; Y61-E65 HydrophobicContact CD1-CB 4.2Å; S62-E65 PolarHBondContact N-OE2 3.23Å; S62-E65 PolarHBondContact O-N 2.57Å; S62-E65 PolarHBondContact OG-N 3.26Å; E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 2.65Å; E65-E68 WeakPolarHBondContact O-CB 3.45Å; E65-E68 PolarHBondContact O-N 3.26Å; E65-F69 WeakPolarHBondContact O-CD2 3.39Å; E65-F69 PolarHBondContact O-N 3.31Å |
| 66 | C | 92.8 | Very high | 91.8 | Very high | 65 Ų | 65 | 90.3 Ų | 90.3 | 44% | 0.439 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -33.4 | 174.8 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | S62 P63 E64 F69 | S62-C66 PolarHBondContact O-N 3.2Å; S62-C66 PolarHBondContact O-SG 3.24Å; P63-C66 WeakPolarHBondContact O-CB 3.49Å; P63-C66 PolarHBondContact O-N 3.38Å; E64-C66 VanDerWaalsContact C-N 3.28Å; E64-C66 PolarHBondContact O-N 3.38Å; C66-F69 PolarHBondContact O-N 3.37Å |
| 67 | L | 91.1 | Very high | 91.5 | Very high | 102 Ų | 102 | 89.1 Ų | 89.1 | 53% | 0.534 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 175.5 | -69.3 | 171.9 | 0 | 0 | 0 | 111.6 | P63 E64 E65 F69 K70 | P63-L67 WeakPolarHBondContact O-CG 3.38Å; P63-L67 PolarHBondContact O-N 3.4Å; E64-L67 WeakPolarHBondContact O-CB 3.38Å; E64-L67 PolarHBondContact O-N 3.2Å; E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 2.65Å; L67-F69 VanDerWaalsContact C-N 3.26Å; L67-F69 PolarHBondContact O-N 2.66Å; L67-K70 HydrophobicContact CD2-CD 3.99Å; L67-K70 VanDerWaalsContact O-CB 3.32Å; L67-K70 WeakPolarHBondContact O-CB 3.44Å; L67-K70 PolarHBondContact O-N 3.41Å; L67-K70 VanDerWaalsContact O-N 3.1Å |
| 68 | E | 89.5 | Confident | 91.2 | Very high | 145 Ų | 145 | 84.8 Ų | 84.8 | 68% | 0.678 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.2 | -35 | 174.7 | -64.5 | 176.6 | -176.3 | 0 | 0 | 111.8 | E64 E65 K70 | E64-E68 PolarHBondContact O-N 3.07Å; E65-E68 WeakPolarHBondContact O-CB 3.45Å; E65-E68 PolarHBondContact O-N 3.26Å; E68-K70 PolarHBondContact O-N 3.07Å |
| 69 | F | 89.8 | Confident | 90.8 | Very high | 58 Ų | 58 | 83.2 Ų | 83.2 | 25% | 0.254 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.3 | -19.1 | 175.6 | -74 | -62.9 | 0 | 0 | 0 | 114.1 | Y61 E65 C66 L67 A71 I72 I73 | Y61-F69 AromaticContact CD1-CE2 3.69Å; Y61-F69 HydrophobicContact CD1-CE2 3.69Å; Y61-F69 HydrophobicContact CD1-CZ 4.36Å; Y61-F69 AromaticContact CE1-CE2 3.65Å; Y61-F69 HydrophobicContact CE1-CE2 3.65Å; Y61-F69 AromaticContact CE1-CZ 3.86Å; Y61-F69 HydrophobicContact CE1-CZ 3.86Å; Y61-F69 HydrophobicContact CG-CE2 4.4Å; E65-F69 WeakPolarHBondContact O-CD2 3.39Å; E65-F69 PolarHBondContact O-N 3.31Å; C66-F69 PolarHBondContact O-N 3.37Å; L67-F69 VanDerWaalsContact C-N 3.26Å; L67-F69 PolarHBondContact O-N 2.66Å; F69-A71 PolarHBondContact O-N 2.99Å; F69-I72 HydrophobicContact CD1-CD1 3.89Å; F69-I72 HydrophobicContact CE1-CD1 4.29Å; F69-I72 PolarHBondContact O-N 3.49Å; F69-I73 HydrophobicContact CB-CD1 4.42Å; F69-I73 VanDerWaalsContact O-CG1 3.27Å; F69-I73 WeakPolarHBondContact O-CG1 3.27Å; F69-I73 PolarHBondContact O-N 3.13Å |
| 70 | K | 89.8 | Confident | 90.7 | Very high | 111 Ų | 111 | 78.2 Ų | 78.2 | 48% | 0.483 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.1 | -47.9 | -179.8 | -74.2 | -177.4 | 171.6 | 177 | 0 | 111.8 | L67 E68 I72 I73 Y74 | L67-K70 HydrophobicContact CD2-CD 3.99Å; L67-K70 VanDerWaalsContact O-CB 3.32Å; L67-K70 WeakPolarHBondContact O-CB 3.44Å; L67-K70 PolarHBondContact O-N 3.41Å; L67-K70 VanDerWaalsContact O-N 3.1Å; E68-K70 PolarHBondContact O-N 3.07Å; K70-I72 VanDerWaalsContact C-N 3.27Å; K70-I72 PolarHBondContact O-N 2.96Å; K70-I73 PolarHBondContact O-N 2.88Å; K70-I73 VanDerWaalsContact O-N 3.13Å; K70-Y74 HydrophobicContact CB-CD2 4.44Å; K70-Y74 HydrophobicContact CB-CE2 4.24Å; K70-Y74 WeakPolarHBondContact O-CD2 3.34Å; K70-Y74 PolarHBondContact O-N 3.19Å |
| 71 | A | 85.1 | Confident | 90.6 | Very high | 54 Ų | 54 | 80.5 Ų | 80.5 | 45% | 0.446 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F69 Y74 G75 | F69-A71 PolarHBondContact O-N 2.99Å; A71-Y74 PolarHBondContact O-N 3.41Å; A71-G75 PolarHBondContact O-N 3.28Å |
| 72 | I | 86.6 | Confident | 90.3 | Very high | 87 Ų | 87 | 78 Ų | 78 | 45% | 0.446 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.6 | -60.5 | 171.2 | 0 | 0 | 0 | 110.9 | F69 K70 G75 N76 | F69-I72 HydrophobicContact CD1-CD1 3.89Å; F69-I72 HydrophobicContact CE1-CD1 4.29Å; F69-I72 PolarHBondContact O-N 3.49Å; K70-I72 VanDerWaalsContact C-N 3.27Å; K70-I72 PolarHBondContact O-N 2.96Å; I72-G75 PolarHBondContact O-N 3.45Å; I72-N76 WeakPolarHBondContact O-CB 3.32Å; I72-N76 PolarHBondContact O-N 3.43Å; I72-N76 PolarHBondContact O-ND2 2.98Å |
| 73 | I | 90.2 | Very high | 90 | Very high | 98 Ų | 98 | 78.9 Ų | 78.9 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 178.2 | -68.5 | 162.5 | 0 | 0 | 0 | 110.3 | F69 K70 G75 N76 V77 | F69-I73 HydrophobicContact CB-CD1 4.42Å; F69-I73 VanDerWaalsContact O-CG1 3.27Å; F69-I73 WeakPolarHBondContact O-CG1 3.27Å; F69-I73 PolarHBondContact O-N 3.13Å; K70-I73 PolarHBondContact O-N 2.88Å; K70-I73 VanDerWaalsContact O-N 3.13Å; I73-G75 PolarHBondContact O-N 3.42Å; I73-N76 PolarHBondContact O-N 3.08Å; I73-V77 WeakPolarHBondContact O-CG2 3.35Å; I73-V77 PolarHBondContact O-N 3.35Å |
| 74 | Y | 88.2 | Confident | 89.9 | Confident | 130 Ų | 130 | 78.9 Ų | 78.9 | 51% | 0.51 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 177.6 | -71.8 | -62.9 | 0 | 0 | 0 | 112 | K70 A71 N76 V77 L78 M119 | K70-Y74 HydrophobicContact CB-CD2 4.44Å; K70-Y74 HydrophobicContact CB-CE2 4.24Å; K70-Y74 WeakPolarHBondContact O-CD2 3.34Å; K70-Y74 PolarHBondContact O-N 3.19Å; A71-Y74 PolarHBondContact O-N 3.41Å; Y74-N76 PolarHBondContact O-N 3.35Å; Y74-V77 PolarHBondContact O-N 3.33Å; Y74-L78 WeakPolarHBondContact O-CG 3.05Å; Y74-L78 PolarHBondContact O-N 3.49Å; Y74-M119 WeakPolarHBondContact CB-SD 3.44Å; Y74-M119 HydrophobicContact CD2-CE 3.94Å; Y74-M119 HydrophobicContact CD2-SD 4.08Å; Y74-M119 HydrophobicContact CG-CE 4.4Å; Y74-M119 HydrophobicContact CG-SD 3.95Å |
| 75 | G | 85.6 | Confident | 89.8 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 24% | 0.237 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.9 | -47 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A71 I72 I73 V77 L78 Q79 | A71-G75 PolarHBondContact O-N 3.28Å; I72-G75 PolarHBondContact O-N 3.45Å; I73-G75 PolarHBondContact O-N 3.42Å; G75-V77 PolarHBondContact O-N 3.1Å; G75-L78 PolarHBondContact O-N 3.24Å; G75-Q79 WeakPolarHBondContact O-CB 3.4Å; G75-Q79 WeakPolarHBondContact O-CG 3.33Å; G75-Q79 PolarHBondContact O-N 3.32Å |
| 76 | N | 88.3 | Confident | 89.7 | Confident | 84 Ų | 84 | 76.9 Ų | 76.9 | 45% | 0.449 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 177.7 | -70.7 | -15.1 | 0 | 0 | 0 | 112.4 | I72 I73 Y74 S80 | I72-N76 WeakPolarHBondContact O-CB 3.32Å; I72-N76 PolarHBondContact O-N 3.43Å; I72-N76 PolarHBondContact O-ND2 2.98Å; I73-N76 PolarHBondContact O-N 3.08Å; Y74-N76 PolarHBondContact O-N 3.35Å; N76-S80 WeakPolarHBondContact O-CB 3.41Å; N76-S80 PolarHBondContact O-N 3.46Å; N76-S80 PolarHBondContact O-OG 2.92Å |
| 77 | V | 91.2 | Very high | 89.8 | Confident | 89 Ų | 89 | 75.8 Ų | 75.8 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | I73 Y74 G75 S80 I81 | I73-V77 WeakPolarHBondContact O-CG2 3.35Å; I73-V77 PolarHBondContact O-N 3.35Å; Y74-V77 PolarHBondContact O-N 3.33Å; G75-V77 PolarHBondContact O-N 3.1Å; V77-S80 PolarHBondContact O-N 3.01Å; V77-I81 WeakPolarHBondContact O-CG2 3.4Å; V77-I81 PolarHBondContact O-N 3.33Å |
| 78 | L | 87.9 | Confident | 90 | Very high | 36 Ų | 36 | 72.6 Ų | 72.6 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 178.1 | -73.6 | 174.1 | 0 | 0 | 0 | 111.8 | Y74 G75 S80 I81 L82 L107 I114 | Y74-L78 WeakPolarHBondContact O-CG 3.05Å; Y74-L78 PolarHBondContact O-N 3.49Å; G75-L78 PolarHBondContact O-N 3.24Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.88Å; L78-I81 WeakPolarHBondContact O-CG2 3.22Å; L78-I81 PolarHBondContact O-N 3.43Å; L78-L82 WeakPolarHBondContact O-CB 3.2Å; L78-L82 WeakPolarHBondContact O-CD1 3.19Å; L78-L82 WeakPolarHBondContact O-CG 3.42Å; L78-L82 PolarHBondContact O-N 3.36Å; L78-L107 HydrophobicContact CD2-CD2 4.11Å; L78-I114 HydrophobicContact CD1-CD1 4.3Å |
| 79 | Q | 87 | Confident | 90 | Very high | 96 Ų | 96 | 70.8 Ų | 70.8 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.6 | -73.2 | 178.7 | -13.9 | 0 | 0 | 111.8 | G75 L82 A83 | G75-Q79 WeakPolarHBondContact O-CB 3.4Å; G75-Q79 WeakPolarHBondContact O-CG 3.33Å; G75-Q79 PolarHBondContact O-N 3.32Å; Q79-L82 PolarHBondContact O-N 2.91Å; Q79-A83 WeakPolarHBondContact O-CB 3.49Å; Q79-A83 PolarHBondContact O-N 2.94Å |
| 80 | S | 91.9 | Very high | 90.2 | Very high | 68 Ų | 68 | 73.8 Ų | 73.8 | 48% | 0.476 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 178.9 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | N76 V77 L78 L82 A83 I84 | N76-S80 WeakPolarHBondContact O-CB 3.41Å; N76-S80 PolarHBondContact O-N 3.46Å; N76-S80 PolarHBondContact O-OG 2.92Å; V77-S80 PolarHBondContact O-N 3.01Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.88Å; S80-L82 VanDerWaalsContact C-N 3.34Å; S80-L82 PolarHBondContact O-N 3.43Å; S80-A83 PolarHBondContact O-N 3.29Å; S80-I84 WeakPolarHBondContact O-CG1 3.48Å; S80-I84 PolarHBondContact O-N 2.92Å; S80-I84 VanDerWaalsContact O-N 3.08Å |
| 81 | I | 92.3 | Very high | 90.5 | Very high | 64 Ų | 64 | 74.5 Ų | 74.5 | 33% | 0.328 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.6 | -37 | 179.6 | -170.3 | 59.8 | 0 | 0 | 0 | 111.6 | V77 L78 I84 I85 L107 | V77-I81 WeakPolarHBondContact O-CG2 3.4Å; V77-I81 PolarHBondContact O-N 3.33Å; L78-I81 WeakPolarHBondContact O-CG2 3.22Å; L78-I81 PolarHBondContact O-N 3.43Å; I81-I84 PolarHBondContact O-N 3Å; I81-I85 HydrophobicContact CG1-CD1 3.99Å; I81-I85 HydrophobicContact CG1-CG1 4.48Å; I81-I85 WeakPolarHBondContact O-CG1 3.32Å; I81-I85 PolarHBondContact O-N 3.22Å; I81-L107 HydrophobicContact CG1-CD1 4.31Å; I81-L107 HydrophobicContact CG2-CD1 4.38Å |
| 82 | L | 90.1 | Very high | 91 | Very high | 16 Ų | 16 | 74.8 Ų | 74.8 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.6 | -71.5 | 166.2 | 0 | 0 | 0 | 112 | L78 Q79 S80 I84 I85 R86 L107 A111 | L78-L82 WeakPolarHBondContact O-CB 3.2Å; L78-L82 WeakPolarHBondContact O-CD1 3.19Å; L78-L82 WeakPolarHBondContact O-CG 3.42Å; L78-L82 PolarHBondContact O-N 3.36Å; Q79-L82 PolarHBondContact O-N 2.91Å; S80-L82 VanDerWaalsContact C-N 3.34Å; S80-L82 PolarHBondContact O-N 3.43Å; L82-I84 VanDerWaalsContact C-N 3.29Å; L82-I84 PolarHBondContact O-N 2.97Å; L82-I85 PolarHBondContact O-N 2.92Å; L82-R86 WeakPolarHBondContact O-CB 3.26Å; L82-R86 VanDerWaalsContact O-CG 3.25Å; L82-R86 WeakPolarHBondContact O-CG 3.46Å; L82-R86 PolarHBondContact O-N 2.84Å; L82-L107 HydrophobicContact CD2-CB 4.13Å; L82-L107 WeakPolarHBondContact CD2-O 3.48Å; L82-A111 HydrophobicContact CD1-CB 3.37Å; L82-A111 HydrophobicContact CD2-CB 3.74Å; L82-A111 HydrophobicContact CG-CB 4.18Å |
| 83 | A | 91.8 | Very high | 91.4 | Very high | 59 Ų | 59 | 75 Ų | 75 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q79 S80 A87 | Q79-A83 WeakPolarHBondContact O-CB 3.49Å; Q79-A83 PolarHBondContact O-N 2.94Å; S80-A83 PolarHBondContact O-N 3.29Å; A83-A87 VanDerWaalsContact O-CB 3.27Å; A83-A87 WeakPolarHBondContact O-CB 3.27Å; A83-A87 PolarHBondContact O-N 2.83Å |
| 84 | I | 93.5 | Very high | 91.5 | Very high | 93 Ų | 93 | 77.3 Ų | 77.3 | 48% | 0.477 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 176.2 | -66.9 | 166.1 | 0 | 0 | 0 | 111.1 | S80 I81 L82 R86 A87 M88 | S80-I84 WeakPolarHBondContact O-CG1 3.48Å; S80-I84 PolarHBondContact O-N 2.92Å; S80-I84 VanDerWaalsContact O-N 3.08Å; I81-I84 PolarHBondContact O-N 3Å; L82-I84 VanDerWaalsContact C-N 3.29Å; L82-I84 PolarHBondContact O-N 2.97Å; I84-R86 VanDerWaalsContact C-N 3.35Å; I84-R86 PolarHBondContact O-N 3.5Å; I84-A87 WeakPolarHBondContact O-CB 3.38Å; I84-A87 PolarHBondContact O-N 3.47Å; I84-A87 VanDerWaalsContact O-N 3.16Å; I84-M88 HydrophobicContact CG2-CG 4.4Å; I84-M88 HydrophobicContact CG2-SD 4.15Å; I84-M88 WeakPolarHBondContact O-CG 3.25Å; I84-M88 PolarHBondContact O-N 2.84Å |
| 85 | I | 91.7 | Very high | 91.7 | Very high | 8 Ų | 8 | 74.3 Ų | 74.3 | 4% | 0.041 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | -179.5 | -71.4 | 163.9 | 0 | 0 | 0 | 111.3 | I81 L82 A87 M88 T89 Y95 L107 N108 | I81-I85 HydrophobicContact CG1-CD1 3.99Å; I81-I85 HydrophobicContact CG1-CG1 4.48Å; I81-I85 WeakPolarHBondContact O-CG1 3.32Å; I81-I85 PolarHBondContact O-N 3.22Å; L82-I85 PolarHBondContact O-N 2.92Å; I85-A87 VanDerWaalsContact C-N 3.33Å; I85-A87 PolarHBondContact O-N 3.46Å; I85-M88 PolarHBondContact O-N 3.15Å; I85-T89 PolarHBondContact O-N 3.49Å; I85-T89 VanDerWaalsContact O-N 3.11Å; I85-T89 PolarHBondContact O-OG1 3.16Å; I85-Y95 WeakPolarHBondContact CG2-OH 3.37Å; I85-L107 HydrophobicContact CD1-CB 4.24Å; I85-L107 HydrophobicContact CD1-CD1 3.9Å; I85-N108 VanDerWaalsContact CG2-ND2 3.3Å; I85-N108 WeakPolarHBondContact CG2-ND2 3.19Å |
| 86 | R | 90.1 | Very high | 92.1 | Very high | 128 Ų | 128 | 78.5 Ų | 78.5 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 176.9 | -70.7 | 171.3 | 179.8 | -176.7 | -2.8 | 111.4 | L82 I84 T89 T90 | L82-R86 WeakPolarHBondContact O-CB 3.26Å; L82-R86 VanDerWaalsContact O-CG 3.25Å; L82-R86 WeakPolarHBondContact O-CG 3.46Å; L82-R86 PolarHBondContact O-N 2.84Å; I84-R86 VanDerWaalsContact C-N 3.35Å; I84-R86 PolarHBondContact O-N 3.5Å; R86-T89 PolarHBondContact O-N 2.88Å; R86-T90 PolarHBondContact O-N 3.34Å; R86-T90 PolarHBondContact O-OG1 3.01Å |
| 87 | A | 94.9 | Very high | 92.3 | Very high | 43 Ų | 43 | 79.9 Ų | 79.9 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A83 I84 I85 T89 T90 L91 | A83-A87 VanDerWaalsContact O-CB 3.27Å; A83-A87 WeakPolarHBondContact O-CB 3.27Å; A83-A87 PolarHBondContact O-N 2.83Å; I84-A87 WeakPolarHBondContact O-CB 3.38Å; I84-A87 PolarHBondContact O-N 3.47Å; I84-A87 VanDerWaalsContact O-N 3.16Å; I85-A87 VanDerWaalsContact C-N 3.33Å; I85-A87 PolarHBondContact O-N 3.46Å; A87-T89 VanDerWaalsContact C-N 3.31Å; A87-T89 PolarHBondContact O-N 2.94Å; A87-T90 PolarHBondContact O-N 3.33Å; A87-T90 VanDerWaalsContact O-N 3.15Å; A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.33Å; A87-L91 PolarHBondContact O-N 3.42Å |
| 88 | M | 94.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 80.4 Ų | 80.4 | 17% | 0.167 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -56.8 | -45.6 | 175 | -73.2 | 175.5 | 66 | 0 | 0 | 111.5 | I84 I85 T90 L91 G92 I93 Y95 | I84-M88 HydrophobicContact CG2-CG 4.4Å; I84-M88 HydrophobicContact CG2-SD 4.15Å; I84-M88 WeakPolarHBondContact O-CG 3.25Å; I84-M88 PolarHBondContact O-N 2.84Å; I85-M88 PolarHBondContact O-N 3.15Å; M88-T90 VanDerWaalsContact C-N 3.35Å; M88-T90 PolarHBondContact O-N 3.39Å; M88-L91 PolarHBondContact O-N 3.41Å; M88-G92 PolarHBondContact O-N 2.95Å; M88-I93 HydrophobicContact CB-CB 4.28Å; M88-I93 HydrophobicContact CE-CG2 4.25Å; M88-I93 HydrophobicContact CG-CB 4.33Å; M88-I93 HydrophobicContact CG-CG2 4.47Å; M88-I93 PolarHBondContact O-N 3.34Å; M88-Y95 HydrophobicContact CE-CD1 3.85Å; M88-Y95 HydrophobicContact CE-CD2 4.46Å; M88-Y95 HydrophobicContact CE-CE1 3.96Å; M88-Y95 HydrophobicContact CE-CG 4.12Å; M88-Y95 HydrophobicContact SD-CE1 4.34Å |
| 89 | T | 90 | Very high | 92.1 | Very high | 108 Ų | 108 | 81.9 Ų | 81.9 | 66% | 0.663 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | I85 R86 A87 L91 G92 | I85-T89 PolarHBondContact O-N 3.49Å; I85-T89 VanDerWaalsContact O-N 3.11Å; I85-T89 PolarHBondContact O-OG1 3.16Å; R86-T89 PolarHBondContact O-N 2.88Å; A87-T89 VanDerWaalsContact C-N 3.31Å; A87-T89 PolarHBondContact O-N 2.94Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 2.94Å; T89-G92 PolarHBondContact O-N 2.91Å |
| 90 | T | 93.9 | Very high | 92.2 | Very high | 120 Ų | 120 | 79.7 Ų | 79.7 | 74% | 0.736 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.1 | -36.5 | -180 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | R86 A87 M88 | R86-T90 PolarHBondContact O-N 3.34Å; R86-T90 PolarHBondContact O-OG1 3.01Å; A87-T90 PolarHBondContact O-N 3.33Å; A87-T90 VanDerWaalsContact O-N 3.15Å; M88-T90 VanDerWaalsContact C-N 3.35Å; M88-T90 PolarHBondContact O-N 3.39Å |
| 91 | L | 96.9 | Very high | 92 | Very high | 126 Ų | 126 | 77.7 Ų | 77.7 | 66% | 0.66 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -89.2 | -4.5 | -178.6 | -64.2 | 174.1 | 0 | 0 | 0 | 113.1 | A87 M88 T89 I93 | A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.33Å; A87-L91 PolarHBondContact O-N 3.42Å; M88-L91 PolarHBondContact O-N 3.41Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 2.94Å; L91-I93 VanDerWaalsContact C-N 3.31Å; L91-I93 HydrophobicContact CB-CD1 3.9Å; L91-I93 HydrophobicContact CB-CG1 3.9Å; L91-I93 HydrophobicContact CD1-CD1 4.02Å; L91-I93 PolarHBondContact O-N 3.15Å |
| 92 | G | 94.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 78.7 Ų | 78.7 | 62% | 0.619 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 33.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | M88 T89 | M88-G92 PolarHBondContact O-N 2.95Å; T89-G92 PolarHBondContact O-N 2.91Å |
| 93 | I | 95.3 | Very high | 91.7 | Very high | 92 Ų | 92 | 82 Ų | 82 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | trans | -91.1 | 115 | 177.1 | -59 | 172.5 | 0 | 0 | 0 | 108.3 | M88 L91 | M88-I93 HydrophobicContact CB-CB 4.28Å; M88-I93 HydrophobicContact CE-CG2 4.25Å; M88-I93 HydrophobicContact CG-CB 4.33Å; M88-I93 HydrophobicContact CG-CG2 4.47Å; M88-I93 PolarHBondContact O-N 3.34Å; L91-I93 VanDerWaalsContact C-N 3.31Å; L91-I93 HydrophobicContact CB-CD1 3.9Å; L91-I93 HydrophobicContact CB-CG1 3.9Å; L91-I93 HydrophobicContact CD1-CD1 4.02Å; L91-I93 PolarHBondContact O-N 3.15Å | ||
| 94 | D | 93.4 | Very high | 91.5 | Very high | 147 Ų | 147 | 79.3 Ų | 79.3 | 79% | 0.786 | 47% | 0.465 | S | S | * | . | trans | -73.7 | 152.4 | 176.9 | -66.7 | -38.9 | 0 | 0 | 0 | 112 | ||||
| 95 | Y | 92.4 | Very high | 91.2 | Very high | 66 Ų | 66 | 82.1 Ų | 82.1 | 26% | 0.259 | 47% | 0.47 | S | S | . | . | trans | -66.1 | 137 | 169.6 | -66.9 | -89 | 0 | 0 | 0 | 110.1 | I85 M88 E97 C100 A101 | I85-Y95 WeakPolarHBondContact CG2-OH 3.37Å; M88-Y95 HydrophobicContact CE-CD1 3.85Å; M88-Y95 HydrophobicContact CE-CD2 4.46Å; M88-Y95 HydrophobicContact CE-CE1 3.96Å; M88-Y95 HydrophobicContact CE-CG 4.12Å; M88-Y95 HydrophobicContact SD-CE1 4.34Å; Y95-E97 VanDerWaalsContact C-N 3.28Å; Y95-E97 WeakPolarHBondContact CB-O 3.44Å; Y95-E97 PolarHBondContact O-N 3.39Å; Y95-C100 HydrophobicContact CD1-CB 3.8Å; Y95-C100 HydrophobicContact CE1-CB 4.43Å; Y95-C100 HydrophobicContact CG-CB 4.37Å; Y95-A101 HydrophobicContact CD2-CB 3.91Å; Y95-A101 HydrophobicContact CE2-CB 4.23Å | ||
| 96 | A | 92.1 | Very high | 90.9 | Very high | 111 Ų | 111 | 88.2 Ų | 88.2 | 92% | 0.917 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -63.7 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 97 | E | 93.1 | Very high | 90.7 | Very high | 114 Ų | 114 | 84.4 Ų | 84.4 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -112.8 | 124.7 | 174.9 | -175.4 | 65.5 | -129.6 | 0 | 0 | 109.1 | Y95 S99 C100 | Y95-E97 VanDerWaalsContact C-N 3.28Å; Y95-E97 WeakPolarHBondContact CB-O 3.44Å; Y95-E97 PolarHBondContact O-N 3.39Å; E97-S99 VanDerWaalsContact C-N 3.25Å; E97-S99 WeakPolarHBondContact CG-OG 3.43Å; E97-S99 PolarHBondContact O-N 2.93Å; E97-C100 WeakPolarHBondContact O-CB 3.49Å; E97-C100 PolarHBondContact O-N 3.37Å; E97-C100 VanDerWaalsContact O-N 3.16Å |
| 98 | P | 86.8 | Confident | 90.1 | Very high | 99 Ų | 99 | 84.3 Ų | 84.3 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29 | -179 | -27.1 | 35.5 | 0 | 0 | 0 | 114.7 | C100 A101 | P98-C100 PolarHBondContact O-N 3.15Å; P98-A101 VanDerWaalsContact O-CB 3.27Å; P98-A101 WeakPolarHBondContact O-CB 3.3Å; P98-A101 PolarHBondContact O-N 3.44Å; P98-A101 VanDerWaalsContact O-N 3.14Å |
| 99 | S | 88.3 | Confident | 89.5 | Confident | 68 Ų | 68 | 88 Ų | 88 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.3 | 178 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | E97 A101 D102 | E97-S99 VanDerWaalsContact C-N 3.25Å; E97-S99 WeakPolarHBondContact CG-OG 3.43Å; E97-S99 PolarHBondContact O-N 2.93Å; S99-A101 PolarHBondContact O-N 3.06Å; S99-D102 PolarHBondContact O-N 3.33Å |
| 100 | C | 88.8 | Confident | 88.7 | Confident | 49 Ų | 49 | 85.6 Ų | 85.6 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.4 | -15.8 | 177.3 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | Y95 E97 P98 D102 D103 G104 | Y95-C100 HydrophobicContact CD1-CB 3.8Å; Y95-C100 HydrophobicContact CE1-CB 4.43Å; Y95-C100 HydrophobicContact CG-CB 4.37Å; E97-C100 WeakPolarHBondContact O-CB 3.49Å; E97-C100 PolarHBondContact O-N 3.37Å; E97-C100 VanDerWaalsContact O-N 3.16Å; P98-C100 PolarHBondContact O-N 3.15Å; C100-D102 VanDerWaalsContact C-N 3.28Å; C100-D102 PolarHBondContact O-N 3.11Å; C100-D103 PolarHBondContact O-N 3.36Å; C100-G104 PolarHBondContact O-N 3.24Å |
| 101 | A | 87.5 | Confident | 87.5 | Confident | 26 Ų | 26 | 80.6 Ų | 80.6 | 22% | 0.215 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68.3 | -29.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y95 P98 S99 R105 | Y95-A101 HydrophobicContact CD2-CB 3.91Å; Y95-A101 HydrophobicContact CE2-CB 4.23Å; P98-A101 VanDerWaalsContact O-CB 3.27Å; P98-A101 WeakPolarHBondContact O-CB 3.3Å; P98-A101 PolarHBondContact O-N 3.44Å; P98-A101 VanDerWaalsContact O-N 3.14Å; S99-A101 PolarHBondContact O-N 3.06Å; A101-R105 WeakPolarHBondContact O-CG 3.33Å; A101-R105 PolarHBondContact O-N 3.3Å; A101-R105 PolarHBondContact O-NE 3.19Å |
| 102 | D | 88.6 | Confident | 85.9 | Confident | 86 Ų | 86 | 81 Ų | 81 | 46% | 0.46 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76.9 | -41.3 | 176 | -68.4 | -22.2 | 0 | 0 | 0 | 110.9 | S99 C100 G104 R105 Q106 | S99-D102 PolarHBondContact O-N 3.33Å; C100-D102 VanDerWaalsContact C-N 3.28Å; C100-D102 PolarHBondContact O-N 3.11Å; D102-G104 VanDerWaalsContact C-N 3.31Å; D102-G104 PolarHBondContact O-N 2.97Å; D102-R105 PolarHBondContact O-N 3.48Å; D102-R105 VanDerWaalsContact O-N 3.16Å; D102-R105 IonicContact OD1-CZ 2.83Å; D102-R105 IonicContact OD1-NE 2.57Å; D102-R105 IonicContact OD1-NH2 3.37Å; D102-R105 PolarHBondContact OD1-NH2 3.22Å; D102-Q106 WeakPolarHBondContact O-CG 3.34Å; D102-Q106 PolarHBondContact O-N 3.38Å |
| 103 | D | 89.2 | Confident | 84.3 | Confident | 84 Ų | 84 | 82 Ų | 82 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 172.3 | -60 | -28.4 | 0 | 0 | 0 | 111.3 | C100 R105 Q106 L107 | C100-D103 PolarHBondContact O-N 3.36Å; D103-R105 VanDerWaalsContact C-N 3.32Å; D103-R105 PolarHBondContact O-N 3.47Å; D103-Q106 PolarHBondContact O-N 3.12Å; D103-L107 WeakPolarHBondContact O-CG 3.45Å; D103-L107 PolarHBondContact O-N 3.42Å |
| 104 | G | 87.6 | Confident | 82.5 | Confident | 3 Ų | 3 | 80 Ų | 80 | 3% | 0.031 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.8 | -35 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C100 D102 N108 | C100-G104 PolarHBondContact O-N 3.24Å; D102-G104 VanDerWaalsContact C-N 3.31Å; D102-G104 PolarHBondContact O-N 2.97Å; G104-N108 PolarHBondContact O-N 3.45Å; G104-N108 VanDerWaalsContact O-N 3.12Å; G104-N108 PolarHBondContact O-ND2 3.16Å |
| 105 | R | 86.1 | Confident | 80.7 | Confident | 153 Ų | 153 | 80.3 Ų | 80.3 | 58% | 0.577 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70 | -43 | 173.6 | -79.9 | -174.4 | -86.3 | -163.9 | -0.6 | 111.9 | A101 D102 D103 L107 N108 N109 | A101-R105 WeakPolarHBondContact O-CG 3.33Å; A101-R105 PolarHBondContact O-N 3.3Å; A101-R105 PolarHBondContact O-NE 3.19Å; D102-R105 PolarHBondContact O-N 3.48Å; D102-R105 VanDerWaalsContact O-N 3.16Å; D102-R105 IonicContact OD1-CZ 2.83Å; D102-R105 IonicContact OD1-NE 2.57Å; D102-R105 IonicContact OD1-NH2 3.37Å; D102-R105 PolarHBondContact OD1-NH2 3.22Å; D103-R105 VanDerWaalsContact C-N 3.32Å; D103-R105 PolarHBondContact O-N 3.47Å; R105-L107 VanDerWaalsContact C-N 3.35Å; R105-L107 PolarHBondContact O-N 2.64Å; R105-N108 PolarHBondContact O-N 3.14Å; R105-N109 PolarHBondContact O-N 3.19Å; R105-N109 PolarHBondContact O-ND2 3.41Å |
| 106 | Q | 85.7 | Confident | 78.8 | Confident | 136 Ų | 136 | 86 Ų | 86 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.3 | -44.8 | 175.6 | -72.8 | -177.4 | -20.3 | 0 | 0 | 111.7 | D102 D103 N109 L110 | D102-Q106 WeakPolarHBondContact O-CG 3.34Å; D102-Q106 PolarHBondContact O-N 3.38Å; D103-Q106 PolarHBondContact O-N 3.12Å; Q106-N109 PolarHBondContact O-N 3.42Å; Q106-L110 PolarHBondContact O-N 3.26Å |
| 107 | L | 85.5 | Confident | 76.8 | Confident | 48 Ų | 48 | 84.4 Ų | 84.4 | 25% | 0.251 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 177 | -79.4 | 168.6 | 0 | 0 | 0 | 112.3 | L78 I81 L82 I85 D103 R105 N109 L110 A111 | L78-L107 HydrophobicContact CD2-CD2 4.11Å; I81-L107 HydrophobicContact CG1-CD1 4.31Å; I81-L107 HydrophobicContact CG2-CD1 4.38Å; L82-L107 HydrophobicContact CD2-CB 4.13Å; L82-L107 WeakPolarHBondContact CD2-O 3.48Å; I85-L107 HydrophobicContact CD1-CB 4.24Å; I85-L107 HydrophobicContact CD1-CD1 3.9Å; D103-L107 WeakPolarHBondContact O-CG 3.45Å; D103-L107 PolarHBondContact O-N 3.42Å; R105-L107 VanDerWaalsContact C-N 3.35Å; R105-L107 PolarHBondContact O-N 2.64Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 2.95Å; L107-L110 PolarHBondContact O-N 3.04Å; L107-A111 PolarHBondContact O-N 3.47Å |
| 108 | N | 82.9 | Confident | 75 | Confident | 40 Ų | 40 | 82.9 Ų | 82.9 | 21% | 0.214 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.7 | -90.9 | -45.9 | 0 | 0 | 0 | 112.4 | I85 G104 R105 L110 A111 D112 | I85-N108 VanDerWaalsContact CG2-ND2 3.3Å; I85-N108 WeakPolarHBondContact CG2-ND2 3.19Å; G104-N108 PolarHBondContact O-N 3.45Å; G104-N108 VanDerWaalsContact O-N 3.12Å; G104-N108 PolarHBondContact O-ND2 3.16Å; R105-N108 PolarHBondContact O-N 3.14Å; N108-L110 VanDerWaalsContact C-N 3.32Å; N108-L110 PolarHBondContact O-N 3.22Å; N108-A111 WeakPolarHBondContact O-CB 3.44Å; N108-A111 PolarHBondContact O-N 3.5Å; N108-D112 PolarHBondContact O-N 3.16Å |
| 109 | N | 80.7 | Confident | 73.4 | Confident | 113 Ų | 113 | 81.2 Ų | 81.2 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.8 | -36.4 | 177.5 | -65.8 | -19.7 | 0 | 0 | 0 | 112 | R105 Q106 L107 A111 D112 | R105-N109 PolarHBondContact O-N 3.19Å; R105-N109 PolarHBondContact O-ND2 3.41Å; Q106-N109 PolarHBondContact O-N 3.42Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 2.95Å; N109-A111 VanDerWaalsContact C-N 3.33Å; N109-D112 PolarHBondContact O-N 3.34Å |
| 110 | L | 74 | Confident | 71.7 | Confident | 56 Ų | 56 | 79 Ų | 79 | 29% | 0.293 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 176 | -169.9 | 69.9 | 0 | 0 | 0 | 111.3 | Q106 L107 N108 D112 S113 I114 | Q106-L110 PolarHBondContact O-N 3.26Å; L107-L110 PolarHBondContact O-N 3.04Å; N108-L110 VanDerWaalsContact C-N 3.32Å; N108-L110 PolarHBondContact O-N 3.22Å; L110-D112 PolarHBondContact O-N 3.24Å; L110-S113 PolarHBondContact O-N 3.49Å; L110-S113 PolarHBondContact O-OG 3.5Å; L110-I114 HydrophobicContact CD2-CD1 4.43Å; L110-I114 HydrophobicContact CG-CD1 4.11Å; L110-I114 WeakPolarHBondContact O-CG1 3.39Å; L110-I114 PolarHBondContact O-N 2.93Å |
| 111 | A | 68.5 | Low | 70 | Confident | 16 Ų | 16 | 83 Ų | 83 | 13% | 0.132 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58.9 | -36 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L82 L107 N108 N109 S113 I114 | L82-A111 HydrophobicContact CD1-CB 3.37Å; L82-A111 HydrophobicContact CD2-CB 3.74Å; L82-A111 HydrophobicContact CG-CB 4.18Å; L107-A111 PolarHBondContact O-N 3.47Å; N108-A111 WeakPolarHBondContact O-CB 3.44Å; N108-A111 PolarHBondContact O-N 3.5Å; N109-A111 VanDerWaalsContact C-N 3.33Å; A111-S113 PolarHBondContact O-N 2.99Å; A111-I114 PolarHBondContact O-N 3.29Å |
| 112 | D | 62.7 | Low | 68.2 | Low | 133 Ų | 133 | 90.3 Ų | 90.3 | 71% | 0.711 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.4 | 179.3 | -65.5 | -21.5 | 0 | 0 | 0 | 112.7 | N108 N109 L110 | N108-D112 PolarHBondContact O-N 3.16Å; N109-D112 PolarHBondContact O-N 3.34Å; L110-D112 PolarHBondContact O-N 3.24Å |
| 113 | S | 60.7 | Low | 66 | Low | 82 Ų | 82 | 93.7 Ų | 93.7 | 57% | 0.573 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -8.8 | 175.4 | 69.6 | 0 | 0 | 0 | 0 | 114.4 | L110 A111 | L110-S113 PolarHBondContact O-N 3.49Å; L110-S113 PolarHBondContact O-OG 3.5Å; A111-S113 PolarHBondContact O-N 2.99Å |
| 114 | I | 58.7 | Low | 64.8 | Low | 49 Ų | 49 | 94.2 Ų | 94.2 | 25% | 0.251 | 51% | 0.508 | S | S | . | . | trans | -94.7 | 107.3 | -176.8 | -67.3 | 169.3 | 0 | 0 | 0 | 109 | L78 L110 A111 T118 P120 | L78-I114 HydrophobicContact CD1-CD1 4.3Å; L110-I114 HydrophobicContact CD2-CD1 4.43Å; L110-I114 HydrophobicContact CG-CD1 4.11Å; L110-I114 WeakPolarHBondContact O-CG1 3.39Å; L110-I114 PolarHBondContact O-N 2.93Å; A111-I114 PolarHBondContact O-N 3.29Å; I114-T118 WeakPolarHBondContact CG2-O 3.27Å; I114-P120 HydrophobicContact CD1-CG 4.12Å; I114-P120 HydrophobicContact CG1-CG 3.78Å | ||
| 115 | E | 54.8 | Low | 63.6 | Low | 154 Ų | 154 | 99 Ų | 99 | 72% | 0.72 | 53% | 0.533 | S | S | * | . | trans | -64.6 | 137.2 | 164 | -85.4 | -172.6 | 167 | 0 | 0 | 109.7 | G117 T118 | E115-G117 PolarHBondContact O-N 3.36Å; E115-T118 PolarHBondContact O-N 2.91Å; E115-T118 PolarHBondContact O-OG1 2.73Å | ||
| 116 | E | 52 | Low | 62.3 | Low | 185 Ų | 185 | 96 Ų | 96 | 86% | 0.864 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 105.2 | -176.8 | -151.6 | 170.4 | -146.5 | 0 | 0 | 110.8 | ||
| 117 | G | 51 | Low | 61 | Low | 78 Ų | 78 | 93.6 Ų | 93.6 | 80% | 0.804 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | 5.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117 | E115 | E115-G117 PolarHBondContact O-N 3.36Š|
| 118 | T | 55.1 | Low | 59.4 | Low | 82 Ų | 82 | 96.5 Ų | 96.5 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | trans | -118.2 | 133.6 | 173.4 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | I114 E115 | I114-T118 WeakPolarHBondContact CG2-O 3.27Å; E115-T118 PolarHBondContact O-N 2.91Å; E115-T118 PolarHBondContact O-OG1 2.73Å | ||
| 119 | M | 53.9 | Low | 57.9 | Low | 65 Ų | 65 | 100.3 Ų | 100.3 | 32% | 0.32 | 56% | 0.563 | S | S | . | * | trans | -78.8 | 141.1 | 166.3 | -79.2 | -140.8 | -61.9 | 0 | 0 | 109.1 | Y74 | Y74-M119 WeakPolarHBondContact CB-SD 3.44Å; Y74-M119 HydrophobicContact CD2-CE 3.94Å; Y74-M119 HydrophobicContact CD2-SD 4.08Å; Y74-M119 HydrophobicContact CG-CE 4.4Å; Y74-M119 HydrophobicContact CG-SD 3.95Å | ||
| 120 | P | 51.3 | Low | 56.2 | Low | 22 Ų | 22 | 99.4 Ų | 99.4 | 14% | 0.143 | 56% | 0.56 | C | S | . | * | trans | -57.9 | 139 | 164.1 | -15.8 | 28.5 | 0 | 0 | 0 | 108.8 | I114 E122 L123 | I114-P120 HydrophobicContact CD1-CG 4.12Å; I114-P120 HydrophobicContact CG1-CG 3.78Å; P120-E122 PolarHBondContact O-N 3.2Å; P120-L123 PolarHBondContact O-N 3.31Å | ||
| 121 | P | 53.6 | Low | 54.9 | Low | 133 Ų | 133 | 102.7 Ų | 102.7 | 86% | 0.864 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -0.5 | 178 | 26 | -33.4 | 0 | 0 | 0 | 114 | ||
| 122 | E | 49.6 | Very low | 53.7 | Low | 178 Ų | 178 | 109.9 Ų | 109.9 | 83% | 0.832 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 3.1 | -176.3 | -57.9 | 179.6 | 179.1 | 0 | 0 | 113.2 | P120 | P120-E122 PolarHBondContact O-N 3.2Š|
| 123 | L | 41.6 | Very low | 52.9 | Low | 158 Ų | 158 | 107.8 Ų | 107.8 | 83% | 0.827 | 61% | 0.609 | S | S | * | * | trans | -122.2 | 0 | 173.7 | -82.5 | 165.1 | 0 | 0 | 0 | 112.6 | P120 | P120-L123 PolarHBondContact O-N 3.31Š|
Retrieved 123 of 123 residues in 39.4 ms
(Link to these results)