| 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 | 82.9 | Confident | 90.3 | Very high | 230 Ų | 230 | 111.7 Ų | 111.7 | 100% | 1.133 | 57% | 0.568 | S | S | * | * | 0 | 131.2 | 0 | -87.4 | -171.6 | -170.8 | 0 | 0 | 109.6 | |||||
| 2 | N | 85.3 | Confident | 90.5 | Very high | 127 Ų | 127 | 119.6 Ų | 119.6 | 68% | 0.679 | 59% | 0.586 | S | S | * | * | trans | -87.4 | 113.1 | 175.2 | -163.2 | -8.3 | 0 | 0 | 0 | 110.4 | L4 | N2-L4 WeakPolarHBondContact OD1-CB 3.39Å; N2-L4 PolarHBondContact OD1-N 3.43Å | ||
| 3 | I | 91.2 | Very high | 90.8 | Very high | 97 Ų | 97 | 113.1 Ų | 113.1 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | trans | -97.5 | -7.7 | -177.7 | 55.7 | 169.7 | 0 | 0 | 0 | 112.8 | P5 K6 | I3-P5 VanDerWaalsContact C-CD 3.49Å; I3-K6 PolarHBondContact O-N 3.37Å | ||
| 4 | L | 89.4 | Confident | 91 | Very high | 63 Ų | 63 | 117.9 Ų | 117.9 | 33% | 0.33 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -59 | -43 | -175.5 | -148.2 | 71.9 | 0 | 0 | 0 | 113.5 | N2 K6 K7 W9 H10 | N2-L4 WeakPolarHBondContact OD1-CB 3.39Å; N2-L4 PolarHBondContact OD1-N 3.43Å; L4-K6 PolarHBondContact O-N 3.49Å; L4-K6 VanDerWaalsContact O-N 3.15Å; L4-K7 PolarHBondContact O-N 3.43Å; L4-K7 VanDerWaalsContact O-N 3.09Å; L4-W9 HydrophobicContact CD1-CH2 3.52Å; L4-W9 HydrophobicContact CD1-CZ2 4.22Å; L4-W9 HydrophobicContact CD1-CZ3 4.08Å; L4-H10 WeakPolarHBondContact CD2-CE1 3.44Å; L4-H10 WeakPolarHBondContact O-CB 3.48Å |
| 5 | P | 91.7 | Very high | 91.2 | Very high | 67 Ų | 67 | 118.2 Ų | 118.2 | 44% | 0.435 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -63.9 | -22.2 | 179.6 | -21.8 | 34.1 | 0 | 0 | 0 | 113.9 | I3 K7 N13 | I3-P5 VanDerWaalsContact C-CD 3.49Å; P5-K7 VanDerWaalsContact C-N 3.29Å; P5-N13 PolarHBondContact O-ND2 3.48Å; P5-N13 PolarHBondContact O-OD1 3.26Å |
| 6 | K | 90.1 | Very high | 91.4 | Very high | 179 Ų | 179 | 112.1 Ų | 112.1 | 78% | 0.778 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -83.6 | -6.2 | -179.9 | -58.8 | -177.2 | -178.9 | 179.9 | 0 | 112.9 | I3 L4 | I3-K6 PolarHBondContact O-N 3.37Å; L4-K6 PolarHBondContact O-N 3.49Å; L4-K6 VanDerWaalsContact O-N 3.15Å |
| 7 | K | 92.4 | Very high | 91.6 | Very high | 74 Ų | 74 | 107.9 Ų | 107.9 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -92.4 | 132.5 | -179.5 | -60.8 | -176.7 | -177.8 | -177.4 | 0 | 109.6 | L4 P5 W9 H10 N13 | L4-K7 PolarHBondContact O-N 3.43Å; L4-K7 VanDerWaalsContact O-N 3.09Å; P5-K7 VanDerWaalsContact C-N 3.29Å; K7-W9 HydrophobicContact CB-CD2 4.29Å; K7-W9 HydrophobicContact CB-CG 4.39Å; K7-W9 HydrophobicContact CB-CZ2 4.4Å; K7-W9 HydrophobicContact CD-CH2 4.23Å; K7-W9 HydrophobicContact CD-CZ2 3.28Å; K7-W9 HydrophobicContact CG-CZ2 4.46Å; K7-W9 PolarHBondContact O-N 3.27Å; K7-H10 WeakPolarHBondContact O-CB 3.32Å; K7-H10 PolarHBondContact O-N 3.24Å; K7-H10 VanDerWaalsContact O-N 3.12Å; K7-N13 PolarHBondContact O-ND2 3.48Å |
| 8 | S | 88.9 | Confident | 91.7 | Very high | 100 Ų | 100 | 104.9 Ų | 104.9 | 70% | 0.699 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.8 | -179 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | N16 | S8-N16 PolarHBondContact O-ND2 2.95Å; S8-N16 PolarHBondContact O-OD1 3.08Å |
| 9 | W | 92.8 | Very high | 91.9 | Very high | 158 Ų | 158 | 107 Ų | 107 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -1.9 | 177.6 | 57.1 | -102.3 | 0 | 0 | 0 | 113.9 | L4 K7 V11 | L4-W9 HydrophobicContact CD1-CH2 3.52Å; L4-W9 HydrophobicContact CD1-CZ2 4.22Å; L4-W9 HydrophobicContact CD1-CZ3 4.08Å; K7-W9 HydrophobicContact CB-CD2 4.29Å; K7-W9 HydrophobicContact CB-CG 4.39Å; K7-W9 HydrophobicContact CB-CZ2 4.4Å; K7-W9 HydrophobicContact CD-CH2 4.23Å; K7-W9 HydrophobicContact CD-CZ2 3.28Å; K7-W9 HydrophobicContact CG-CZ2 4.46Å; K7-W9 PolarHBondContact O-N 3.27Å; W9-V11 PolarHBondContact O-N 3.43Å; W9-V11 VanDerWaalsContact O-N 3.09Å |
| 10 | H | 95.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 105.3 Ų | 105.3 | 11% | 0.106 | 52% | 0.522 | C | S | . | . | trans | -65 | 117.4 | -176.5 | -174.8 | 45.6 | 0 | 0 | 0 | 111 | L4 K7 R12 N13 N16 | L4-H10 WeakPolarHBondContact CD2-CE1 3.44Å; L4-H10 WeakPolarHBondContact O-CB 3.48Å; K7-H10 WeakPolarHBondContact O-CB 3.32Å; K7-H10 PolarHBondContact O-N 3.24Å; K7-H10 VanDerWaalsContact O-N 3.12Å; H10-R12 PolarHBondContact O-N 3.26Å; H10-R12 VanDerWaalsContact O-N 3.16Å; H10-N13 PolarHBondContact CD2-OD1 3.46Å; H10-N13 VanDerWaalsContact O-CB 3.32Å; H10-N13 WeakPolarHBondContact O-CB 3.48Å; H10-N13 PolarHBondContact O-N 3.44Å; H10-N16 PolarHBondContact O-ND2 2.98Å | ||
| 11 | V | 93 | Very high | 92.3 | Very high | 111 Ų | 111 | 107.9 Ų | 107.9 | 67% | 0.673 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -35.5 | -174 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | W9 N13 V17 | W9-V11 PolarHBondContact O-N 3.43Å; W9-V11 VanDerWaalsContact O-N 3.09Å; V11-N13 VanDerWaalsContact C-N 3.31Å; V11-N13 PolarHBondContact O-N 3.47Å; V11-V17 VanDerWaalsContact O-CG2 3.27Å; V11-V17 WeakPolarHBondContact O-CG2 3.44Å |
| 12 | R | 93.2 | Very high | 93 | Very high | 206 Ų | 206 | 103.1 Ų | 103.1 | 78% | 0.777 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -1.7 | -178.3 | -64.4 | 173.2 | 161.7 | 85.8 | -1.4 | 113.7 | H10 K14 | H10-R12 PolarHBondContact O-N 3.26Å; H10-R12 VanDerWaalsContact O-N 3.16Å; R12-K14 PolarHBondContact O-N 3.24Å |
| 13 | N | 94.4 | Very high | 93.5 | Very high | 35 Ų | 35 | 101 Ų | 101 | 19% | 0.187 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -64.6 | 133.7 | 172.9 | -81.5 | -5.8 | 0 | 0 | 0 | 109.8 | P5 K7 H10 V11 D15 N16 V17 | P5-N13 PolarHBondContact O-ND2 3.48Å; P5-N13 PolarHBondContact O-OD1 3.26Å; K7-N13 PolarHBondContact O-ND2 3.48Å; H10-N13 PolarHBondContact CD2-OD1 3.46Å; H10-N13 VanDerWaalsContact O-CB 3.32Å; H10-N13 WeakPolarHBondContact O-CB 3.48Å; H10-N13 PolarHBondContact O-N 3.44Å; V11-N13 VanDerWaalsContact C-N 3.31Å; V11-N13 PolarHBondContact O-N 3.47Å; N13-D15 PolarHBondContact O-N 3.35Å; N13-D15 VanDerWaalsContact O-N 3.1Å; N13-N16 PolarHBondContact O-N 3.45Å; N13-V17 WeakPolarHBondContact O-CG2 3.41Å; N13-V17 PolarHBondContact O-N 3.04Å |
| 14 | K | 94.2 | Very high | 93.7 | Very high | 180 Ų | 180 | 102.1 Ų | 102.1 | 78% | 0.783 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -52.4 | -39 | -176 | -64.9 | -180 | -179.9 | -179.1 | 0 | 112.2 | R12 V17 A18 | R12-K14 PolarHBondContact O-N 3.24Å; K14-V17 PolarHBondContact O-N 3.49Å; K14-A18 VanDerWaalsContact O-CB 3.31Å; K14-A18 WeakPolarHBondContact O-CB 3.43Å; K14-A18 PolarHBondContact O-N 3.26Å |
| 15 | D | 93.9 | Very high | 93.9 | Very high | 123 Ų | 123 | 101.5 Ų | 101.5 | 66% | 0.658 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.6 | -36.7 | 179.9 | -54.4 | -24.4 | 0 | 0 | 0 | 112.6 | N13 R19 | N13-D15 PolarHBondContact O-N 3.35Å; N13-D15 VanDerWaalsContact O-N 3.1Å; D15-R19 PolarHBondContact O-N 3.24Å |
| 16 | N | 93.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 102.5 Ų | 102.5 | 11% | 0.112 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -73.9 | -41.4 | 176.5 | -71.8 | -23 | 0 | 0 | 0 | 111.1 | S8 H10 N13 A18 R19 V20 | S8-N16 PolarHBondContact O-ND2 2.95Å; S8-N16 PolarHBondContact O-OD1 3.08Å; H10-N16 PolarHBondContact O-ND2 2.98Å; N13-N16 PolarHBondContact O-N 3.45Å; N16-A18 VanDerWaalsContact C-N 3.28Å; N16-A18 PolarHBondContact O-N 3.34Å; N16-R19 PolarHBondContact O-N 3.36Å; N16-R19 PolarHBondContact OD1-NH1 3.39Å; N16-V20 WeakPolarHBondContact O-CG2 3.35Å; N16-V20 PolarHBondContact O-N 2.92Å |
| 17 | V | 94.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 96.7 Ų | 96.7 | 25% | 0.248 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 174.6 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | V11 N13 K14 V20 R21 | V11-V17 VanDerWaalsContact O-CG2 3.27Å; V11-V17 WeakPolarHBondContact O-CG2 3.44Å; N13-V17 WeakPolarHBondContact O-CG2 3.41Å; N13-V17 PolarHBondContact O-N 3.04Å; K14-V17 PolarHBondContact O-N 3.49Å; V17-V20 PolarHBondContact O-N 3.03Å; V17-R21 VanDerWaalsContact CG1-CZ 3.4Å; V17-R21 WeakPolarHBondContact O-CB 3.18Å; V17-R21 WeakPolarHBondContact O-CG 3.25Å; V17-R21 PolarHBondContact O-N 3.49Å |
| 18 | A | 94.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 95 Ų | 95 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K14 N16 R21 K22 | K14-A18 VanDerWaalsContact O-CB 3.31Å; K14-A18 WeakPolarHBondContact O-CB 3.43Å; K14-A18 PolarHBondContact O-N 3.26Å; N16-A18 VanDerWaalsContact C-N 3.28Å; N16-A18 PolarHBondContact O-N 3.34Å; A18-R21 PolarHBondContact O-N 2.65Å; A18-K22 PolarHBondContact O-N 3.33Å |
| 19 | R | 95.3 | Very high | 94.6 | Very high | 144 Ų | 144 | 95.9 Ų | 95.9 | 54% | 0.543 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 174.4 | -167.1 | -177.7 | -59.8 | 120.1 | 7.3 | 111.4 | D15 N16 R21 K22 D23 | D15-R19 PolarHBondContact O-N 3.24Å; N16-R19 PolarHBondContact O-N 3.36Å; N16-R19 PolarHBondContact OD1-NH1 3.39Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R19-R21 PolarHBondContact O-N 2.81Å; R19-K22 WeakPolarHBondContact O-CB 3.38Å; R19-K22 PolarHBondContact O-N 3.31Å; R19-D23 VanDerWaalsContact O-CG 3.24Å; R19-D23 PolarHBondContact O-N 3.38Å |
| 20 | V | 96.4 | Very high | 94.6 | Very high | 72 Ų | 72 | 94.8 Ų | 94.8 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | N16 V17 K22 D23 E24 | N16-V20 WeakPolarHBondContact O-CG2 3.35Å; N16-V20 PolarHBondContact O-N 2.92Å; V17-V20 PolarHBondContact O-N 3.03Å; V20-K22 VanDerWaalsContact C-N 3.28Å; V20-K22 PolarHBondContact O-N 3.44Å; V20-D23 PolarHBondContact O-N 3.12Å; V20-E24 HydrophobicContact CG1-CG 4.2Å; V20-E24 WeakPolarHBondContact CG1-OE1 2.95Å; V20-E24 WeakPolarHBondContact O-CB 3.34Å; V20-E24 VanDerWaalsContact O-CG 3.27Å; V20-E24 WeakPolarHBondContact O-CG 3.46Å; V20-E24 PolarHBondContact O-N 2.92Å |
| 21 | R | 96.7 | Very high | 94.6 | Very high | 160 Ų | 160 | 98.8 Ų | 98.8 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.2 | -36 | 176.6 | -76.5 | -176.4 | -177.2 | 119.8 | 3.3 | 113.4 | V17 A18 R19 A25 | V17-R21 VanDerWaalsContact CG1-CZ 3.4Å; V17-R21 WeakPolarHBondContact O-CB 3.18Å; V17-R21 WeakPolarHBondContact O-CG 3.25Å; V17-R21 PolarHBondContact O-N 3.49Å; A18-R21 PolarHBondContact O-N 2.65Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R19-R21 PolarHBondContact O-N 2.81Å; R21-A25 WeakPolarHBondContact O-CB 3.38Å; R21-A25 PolarHBondContact O-N 3.33Å |
| 22 | K | 96.1 | Very high | 94.6 | Very high | 131 Ų | 131 | 101.6 Ų | 101.6 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.5 | -46.2 | 176.7 | -172.2 | -176 | 177.3 | -174.1 | 0 | 110.4 | A18 R19 V20 A25 Q26 | A18-K22 PolarHBondContact O-N 3.33Å; R19-K22 WeakPolarHBondContact O-CB 3.38Å; R19-K22 PolarHBondContact O-N 3.31Å; V20-K22 VanDerWaalsContact C-N 3.28Å; V20-K22 PolarHBondContact O-N 3.44Å; K22-A25 PolarHBondContact O-N 3.15Å; K22-Q26 WeakPolarHBondContact O-CB 3.36Å; K22-Q26 WeakPolarHBondContact O-CG 3.07Å; K22-Q26 PolarHBondContact O-N 3.44Å |
| 23 | D | 97.1 | Very high | 94.7 | Very high | 83 Ų | 83 | 97.6 Ų | 97.6 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 179.9 | -58.4 | -19.8 | 0 | 0 | 0 | 110.8 | R19 V20 Q26 A27 | R19-D23 VanDerWaalsContact O-CG 3.24Å; R19-D23 PolarHBondContact O-N 3.38Å; V20-D23 PolarHBondContact O-N 3.12Å; D23-Q26 PolarHBondContact O-N 2.89Å; D23-A27 WeakPolarHBondContact O-CB 3.44Å; D23-A27 PolarHBondContact O-N 3.34Å |
| 24 | E | 94.6 | Very high | 94.7 | Very high | 120 Ų | 120 | 98.2 Ų | 98.2 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 172.9 | -73.8 | 172.6 | 173.3 | 0 | 0 | 112.1 | V20 A27 A28 | V20-E24 HydrophobicContact CG1-CG 4.2Å; V20-E24 WeakPolarHBondContact CG1-OE1 2.95Å; V20-E24 WeakPolarHBondContact O-CB 3.34Å; V20-E24 VanDerWaalsContact O-CG 3.27Å; V20-E24 WeakPolarHBondContact O-CG 3.46Å; V20-E24 PolarHBondContact O-N 2.92Å; E24-A27 PolarHBondContact O-N 3.07Å; E24-A28 WeakPolarHBondContact O-CB 3.32Å; E24-A28 PolarHBondContact O-N 3.1Å |
| 25 | A | 94.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 94.9 Ų | 94.9 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R21 K22 A28 E29 | R21-A25 WeakPolarHBondContact O-CB 3.38Å; R21-A25 PolarHBondContact O-N 3.33Å; K22-A25 PolarHBondContact O-N 3.15Å; A25-A28 PolarHBondContact O-N 3.37Å; A25-E29 WeakPolarHBondContact O-CG 3.37Å; A25-E29 PolarHBondContact O-N 3.16Å |
| 26 | Q | 94.6 | Very high | 95 | Very high | 88 Ų | 88 | 98 Ų | 98 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.9 | -73.7 | -176.7 | -52.2 | 0 | 0 | 111.5 | K22 D23 A28 E29 E30 | K22-Q26 WeakPolarHBondContact O-CB 3.36Å; K22-Q26 WeakPolarHBondContact O-CG 3.07Å; K22-Q26 PolarHBondContact O-N 3.44Å; D23-Q26 PolarHBondContact O-N 2.89Å; Q26-A28 VanDerWaalsContact C-N 3.29Å; Q26-A28 PolarHBondContact O-N 3.1Å; Q26-E29 PolarHBondContact O-N 3.41Å; Q26-E30 WeakPolarHBondContact O-CG 3.38Å; Q26-E30 PolarHBondContact O-N 3.46Å |
| 27 | A | 94.4 | Very high | 95.1 | Very high | 57 Ų | 57 | 105.2 Ų | 105.2 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | D23 E24 E31 | D23-A27 WeakPolarHBondContact O-CB 3.44Å; D23-A27 PolarHBondContact O-N 3.34Å; E24-A27 PolarHBondContact O-N 3.07Å; A27-E31 WeakPolarHBondContact O-CB 3.47Å; A27-E31 PolarHBondContact O-N 2.89Å |
| 28 | A | 94.8 | Very high | 95.2 | Very high | 39 Ų | 39 | 107.6 Ų | 107.6 | 32% | 0.322 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | E24 A25 Q26 R32 | E24-A28 WeakPolarHBondContact O-CB 3.32Å; E24-A28 PolarHBondContact O-N 3.1Å; A25-A28 PolarHBondContact O-N 3.37Å; Q26-A28 VanDerWaalsContact C-N 3.29Å; Q26-A28 PolarHBondContact O-N 3.1Å; A28-R32 WeakPolarHBondContact O-CD 3.37Å; A28-R32 VanDerWaalsContact O-CG 3.23Å; A28-R32 WeakPolarHBondContact O-CG 3.43Å; A28-R32 PolarHBondContact O-N 3.33Å |
| 29 | E | 92.4 | Very high | 95.3 | Very high | 119 Ų | 119 | 108.9 Ų | 108.9 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.6 | -47 | 174.4 | -76.2 | 178.7 | 172.6 | 0 | 0 | 111.5 | A25 Q26 E31 R32 E33 | A25-E29 WeakPolarHBondContact O-CG 3.37Å; A25-E29 PolarHBondContact O-N 3.16Å; Q26-E29 PolarHBondContact O-N 3.41Å; E29-E31 VanDerWaalsContact C-N 3.33Å; E29-E31 PolarHBondContact O-N 3.47Å; E29-R32 WeakPolarHBondContact O-CB 3.44Å; E29-R32 PolarHBondContact O-N 3.3Å; E29-R32 VanDerWaalsContact O-N 3.15Å; E29-E33 PolarHBondContact O-N 3.26Å |
| 30 | E | 94.3 | Very high | 95.3 | Very high | 134 Ų | 134 | 109.9 Ų | 109.9 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60 | -41.6 | 177.2 | -72.1 | 178.4 | -175.9 | 0 | 0 | 112 | Q26 R32 E33 A34 | Q26-E30 WeakPolarHBondContact O-CG 3.38Å; Q26-E30 PolarHBondContact O-N 3.46Å; E30-R32 VanDerWaalsContact C-N 3.35Å; E30-R32 PolarHBondContact O-N 3.28Å; E30-E33 PolarHBondContact O-N 3Å; E30-A34 WeakPolarHBondContact O-CB 2.98Å; E30-A34 PolarHBondContact O-N 3.31Å |
| 31 | E | 94 | Very high | 95.3 | Very high | 107 Ų | 107 | 108.9 Ų | 108.9 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 176.4 | -165.2 | -168.8 | 162.5 | 0 | 0 | 111.9 | A27 E29 A34 K35 | A27-E31 WeakPolarHBondContact O-CB 3.47Å; A27-E31 PolarHBondContact O-N 2.89Å; E29-E31 VanDerWaalsContact C-N 3.33Å; E29-E31 PolarHBondContact O-N 3.47Å; E31-A34 PolarHBondContact O-N 3.4Å; E31-K35 WeakPolarHBondContact O-CG 3.27Å; E31-K35 PolarHBondContact O-N 2.85Å; E31-K35 WeakPolarHBondContact OE1-CE 3.39Å; E31-K35 IonicContact OE1-NZ 2.69Å; E31-K35 PolarHBondContact OE1-NZ 2.89Å |
| 32 | R | 94 | Very high | 95.4 | Very high | 171 Ų | 171 | 107.5 Ų | 107.5 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 175.5 | -74.7 | 168.9 | 178.6 | -178.2 | 0.2 | 111.7 | A28 E29 E30 K35 R36 | A28-R32 WeakPolarHBondContact O-CD 3.37Å; A28-R32 VanDerWaalsContact O-CG 3.23Å; A28-R32 WeakPolarHBondContact O-CG 3.43Å; A28-R32 PolarHBondContact O-N 3.33Å; E29-R32 WeakPolarHBondContact O-CB 3.44Å; E29-R32 PolarHBondContact O-N 3.3Å; E29-R32 VanDerWaalsContact O-N 3.15Å; E30-R32 VanDerWaalsContact C-N 3.35Å; E30-R32 PolarHBondContact O-N 3.28Å; R32-K35 PolarHBondContact O-N 2.94Å; R32-R36 WeakPolarHBondContact O-CG 3.37Å; R32-R36 PolarHBondContact O-N 2.94Å |
| 33 | E | 94.8 | Very high | 95.4 | Very high | 122 Ų | 122 | 107.5 Ų | 107.5 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -39.8 | 176.2 | -71.3 | -171.5 | 174.2 | 0 | 0 | 112.2 | E29 E30 R36 R37 | E29-E33 PolarHBondContact O-N 3.26Å; E30-E33 PolarHBondContact O-N 3Å; E33-R36 PolarHBondContact O-N 3.4Å; E33-R37 PolarHBondContact O-N 3.01Å |
| 34 | A | 95.4 | Very high | 95.4 | Very high | 47 Ų | 47 | 108.1 Ų | 108.1 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E30 E31 R36 R37 V38 | E30-A34 WeakPolarHBondContact O-CB 2.98Å; E30-A34 PolarHBondContact O-N 3.31Å; E31-A34 PolarHBondContact O-N 3.4Å; A34-R36 PolarHBondContact O-N 3.46Å; A34-R37 WeakPolarHBondContact O-CB 3.37Å; A34-R37 PolarHBondContact O-N 2.86Å; A34-R37 VanDerWaalsContact O-N 3.16Å; A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 3.48Å |
| 35 | K | 96.2 | Very high | 95.5 | Very high | 110 Ų | 110 | 105 Ų | 105 | 48% | 0.478 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 175.3 | -74.4 | 174.1 | -176.3 | 169.9 | 0 | 111.8 | E31 R32 R37 V38 D39 | E31-K35 WeakPolarHBondContact O-CG 3.27Å; E31-K35 PolarHBondContact O-N 2.85Å; E31-K35 WeakPolarHBondContact OE1-CE 3.39Å; E31-K35 IonicContact OE1-NZ 2.69Å; E31-K35 PolarHBondContact OE1-NZ 2.89Å; R32-K35 PolarHBondContact O-N 2.94Å; K35-R37 VanDerWaalsContact C-N 3.25Å; K35-R37 PolarHBondContact O-N 2.96Å; K35-V38 PolarHBondContact O-N 3.41Å; K35-D39 PolarHBondContact O-N 3.38Å |
| 36 | R | 96.3 | Very high | 95.7 | Very high | 188 Ų | 188 | 111.4 Ų | 111.4 | 71% | 0.709 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56.6 | -38.6 | 175.9 | -76.8 | 177.5 | 175.4 | -169.9 | 0.1 | 113 | R32 E33 A34 R40 | R32-R36 WeakPolarHBondContact O-CG 3.37Å; R32-R36 PolarHBondContact O-N 2.94Å; E33-R36 PolarHBondContact O-N 3.4Å; A34-R36 PolarHBondContact O-N 3.46Å; R36-R40 WeakPolarHBondContact O-CB 3.34Å; R36-R40 PolarHBondContact O-N 3.46Å; R36-R40 VanDerWaalsContact O-N 3.08Å |
| 37 | R | 95.6 | Very high | 95.7 | Very high | 174 Ų | 174 | 110.5 Ų | 110.5 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.3 | -42.7 | 176.9 | -175.4 | 179.3 | -74.1 | 106.9 | -2.8 | 111.3 | E33 A34 K35 R40 A41 | E33-R37 PolarHBondContact O-N 3.01Å; A34-R37 WeakPolarHBondContact O-CB 3.37Å; A34-R37 PolarHBondContact O-N 2.86Å; A34-R37 VanDerWaalsContact O-N 3.16Å; K35-R37 VanDerWaalsContact C-N 3.25Å; K35-R37 PolarHBondContact O-N 2.96Å; R37-R40 PolarHBondContact O-N 3.21Å; R37-A41 WeakPolarHBondContact O-CB 3.31Å; R37-A41 PolarHBondContact O-N 3.46Å |
| 38 | V | 97.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 114.2 Ų | 114.2 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.9 | -50.1 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | A34 K35 R40 A41 E42 | A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 3.48Å; K35-V38 PolarHBondContact O-N 3.41Å; V38-R40 VanDerWaalsContact C-N 3.27Å; V38-R40 PolarHBondContact O-N 2.86Å; V38-A41 PolarHBondContact O-N 3.47Å; V38-A41 VanDerWaalsContact O-N 3.12Å; V38-E42 WeakPolarHBondContact O-CB 3.24Å; V38-E42 PolarHBondContact O-N 3.3Å |
| 39 | D | 95.8 | Very high | 95.9 | Very high | 81 Ų | 81 | 119.5 Ų | 119.5 | 43% | 0.433 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59 | -41 | -179.9 | -61.8 | -18.6 | 0 | 0 | 0 | 111.3 | K35 E42 Q43 | K35-D39 PolarHBondContact O-N 3.38Å; D39-E42 PolarHBondContact O-N 3.36Å; D39-Q43 WeakPolarHBondContact O-CB 3.24Å; D39-Q43 VanDerWaalsContact O-CG 3.24Å; D39-Q43 WeakPolarHBondContact O-CG 3.49Å; D39-Q43 PolarHBondContact O-N 3.46Å |
| 40 | R | 96.8 | Very high | 96.1 | Very high | 164 Ų | 164 | 118.5 Ų | 118.5 | 62% | 0.619 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.1 | -46.4 | 176.1 | -177.2 | 177.5 | 179.4 | 127.1 | 5.3 | 111.7 | R36 R37 V38 E42 Q43 E44 | R36-R40 WeakPolarHBondContact O-CB 3.34Å; R36-R40 PolarHBondContact O-N 3.46Å; R36-R40 VanDerWaalsContact O-N 3.08Å; R37-R40 PolarHBondContact O-N 3.21Å; V38-R40 VanDerWaalsContact C-N 3.27Å; V38-R40 PolarHBondContact O-N 2.86Å; R40-E42 VanDerWaalsContact C-N 3.27Å; R40-E42 PolarHBondContact O-N 2.95Å; R40-Q43 PolarHBondContact O-N 2.92Å; R40-E44 HydrophobicContact CG-CG 4.47Å; R40-E44 WeakPolarHBondContact CG-OE1 3.33Å; R40-E44 IonicContact CZ-OE1 3.32Å; R40-E44 IonicContact NE-OE1 3.93Å; R40-E44 PolarHBondContact NE-OE1 3.36Å; R40-E44 IonicContact NH2-OE1 2.98Å; R40-E44 PolarHBondContact NH2-OE1 3.14Å; R40-E44 WeakPolarHBondContact O-CB 3.32Å; R40-E44 WeakPolarHBondContact O-CG 3.38Å; R40-E44 PolarHBondContact O-N 3.35Å |
| 41 | A | 96.1 | Very high | 96.1 | Very high | 52 Ų | 52 | 120.2 Ų | 120.2 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R37 V38 E44 A45 | R37-A41 WeakPolarHBondContact O-CB 3.31Å; R37-A41 PolarHBondContact O-N 3.46Å; V38-A41 PolarHBondContact O-N 3.47Å; V38-A41 VanDerWaalsContact O-N 3.12Å; A41-E44 PolarHBondContact O-N 3.25Å; A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.89Å |
| 42 | E | 97.4 | Very high | 96.2 | Very high | 131 Ų | 131 | 124.4 Ų | 124.4 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66 | -44.5 | 175.5 | -173.4 | -179.8 | -177 | 0 | 0 | 111.8 | V38 D39 R40 A45 R46 | V38-E42 WeakPolarHBondContact O-CB 3.24Å; V38-E42 PolarHBondContact O-N 3.3Å; D39-E42 PolarHBondContact O-N 3.36Å; R40-E42 VanDerWaalsContact C-N 3.27Å; R40-E42 PolarHBondContact O-N 2.95Å; E42-A45 PolarHBondContact O-N 2.69Å; E42-R46 VanDerWaalsContact O-CB 3.27Å; E42-R46 WeakPolarHBondContact O-CB 3.42Å; E42-R46 PolarHBondContact O-N 3.29Å |
| 43 | Q | 97.3 | Very high | 96.2 | Very high | 131 Ų | 131 | 122.5 Ų | 122.5 | 61% | 0.612 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.6 | -49.5 | 174 | -73.9 | 172.1 | 17.9 | 0 | 0 | 111.1 | D39 R40 R46 T47 | D39-Q43 WeakPolarHBondContact O-CB 3.24Å; D39-Q43 VanDerWaalsContact O-CG 3.24Å; D39-Q43 WeakPolarHBondContact O-CG 3.49Å; D39-Q43 PolarHBondContact O-N 3.46Å; R40-Q43 PolarHBondContact O-N 2.92Å; Q43-R46 PolarHBondContact O-N 2.87Å; Q43-T47 VanDerWaalsContact O-CG2 3.3Å; Q43-T47 WeakPolarHBondContact O-CG2 3.45Å; Q43-T47 PolarHBondContact O-N 2.99Å; Q43-T47 PolarHBondContact O-OG1 3.34Å |
| 44 | E | 96.6 | Very high | 96.2 | Very high | 96 Ų | 96 | 119.7 Ų | 119.7 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -49.4 | 178.6 | -72.4 | 173.8 | -174.6 | 0 | 0 | 110.7 | R40 A41 R46 T47 E48 | R40-E44 HydrophobicContact CG-CG 4.47Å; R40-E44 WeakPolarHBondContact CG-OE1 3.33Å; R40-E44 IonicContact CZ-OE1 3.32Å; R40-E44 IonicContact NE-OE1 3.93Å; R40-E44 PolarHBondContact NE-OE1 3.36Å; R40-E44 IonicContact NH2-OE1 2.98Å; R40-E44 PolarHBondContact NH2-OE1 3.14Å; R40-E44 WeakPolarHBondContact O-CB 3.32Å; R40-E44 WeakPolarHBondContact O-CG 3.38Å; R40-E44 PolarHBondContact O-N 3.35Å; A41-E44 PolarHBondContact O-N 3.25Å; E44-R46 PolarHBondContact O-N 3.28Å; E44-T47 PolarHBondContact O-N 3.44Å; E44-T47 PolarHBondContact O-OG1 3.01Å; E44-E48 WeakPolarHBondContact O-CB 3.44Å; E44-E48 PolarHBondContact O-N 2.92Å |
| 45 | A | 97.2 | Very high | 96.1 | Very high | 53 Ų | 53 | 125.7 Ų | 125.7 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A41 E42 E48 Y49 | A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.89Å; E42-A45 PolarHBondContact O-N 2.69Å; A45-E48 PolarHBondContact O-N 3.49Å; A45-Y49 WeakPolarHBondContact O-CB 3.47Å; A45-Y49 PolarHBondContact O-N 3.18Å |
| 46 | R | 97.3 | Very high | 95.9 | Very high | 184 Ų | 184 | 122.9 Ų | 122.9 | 69% | 0.694 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.5 | -44.3 | 176.4 | -177 | 176.8 | 178.2 | -179.5 | -0.3 | 111.3 | E42 Q43 E44 Y49 L50 | E42-R46 VanDerWaalsContact O-CB 3.27Å; E42-R46 WeakPolarHBondContact O-CB 3.42Å; E42-R46 PolarHBondContact O-N 3.29Å; Q43-R46 PolarHBondContact O-N 2.87Å; E44-R46 PolarHBondContact O-N 3.28Å; R46-Y49 PolarHBondContact O-N 3.2Å; R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 2.97Å; R46-L50 VanDerWaalsContact O-N 3.11Å |
| 47 | T | 96.3 | Very high | 95.6 | Very high | 69 Ų | 69 | 116.5 Ų | 116.5 | 42% | 0.423 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.6 | -40.3 | 177.9 | 62.1 | 0 | 0 | 0 | 0 | 112 | Q43 E44 L50 R51 | Q43-T47 VanDerWaalsContact O-CG2 3.3Å; Q43-T47 WeakPolarHBondContact O-CG2 3.45Å; Q43-T47 PolarHBondContact O-N 2.99Å; Q43-T47 PolarHBondContact O-OG1 3.34Å; E44-T47 PolarHBondContact O-N 3.44Å; E44-T47 PolarHBondContact O-OG1 3.01Å; T47-L50 PolarHBondContact O-N 3.21Å; T47-R51 WeakPolarHBondContact O-CB 3.34Å; T47-R51 VanDerWaalsContact O-CG 3.32Å; T47-R51 WeakPolarHBondContact O-CG 3.37Å; T47-R51 PolarHBondContact O-N 3.15Å |
| 48 | E | 96.1 | Very high | 95.1 | Very high | 135 Ų | 135 | 114.3 Ų | 114.3 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64 | -43.8 | 176.5 | -171 | -174.5 | -164.1 | 0 | 0 | 111.2 | E44 A45 L50 R51 R52 | E44-E48 WeakPolarHBondContact O-CB 3.44Å; E44-E48 PolarHBondContact O-N 2.92Å; A45-E48 PolarHBondContact O-N 3.49Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.12Å; E48-R51 PolarHBondContact O-N 3.23Å; E48-R52 WeakPolarHBondContact O-CB 3.17Å; E48-R52 PolarHBondContact O-N 3.09Å |
| 49 | Y | 97.1 | Very high | 94.3 | Very high | 151 Ų | 151 | 116.8 Ų | 116.8 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -56.7 | -47.4 | 175.1 | 174.1 | -103.8 | 0 | 0 | 0 | 111.7 | A45 R46 R52 K53 | A45-Y49 WeakPolarHBondContact O-CB 3.47Å; A45-Y49 PolarHBondContact O-N 3.18Å; R46-Y49 PolarHBondContact O-N 3.2Å; Y49-R52 PolarHBondContact O-N 3.37Å; Y49-K53 WeakPolarHBondContact O-CB 3.31Å; Y49-K53 PolarHBondContact O-N 3.14Å |
| 50 | L | 96.4 | Very high | 93.4 | Very high | 97 Ų | 97 | 116.7 Ų | 116.7 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.8 | -41.5 | 177 | -69.3 | 174.9 | 0 | 0 | 0 | 112.2 | R46 T47 E48 K53 S54 | R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 2.97Å; R46-L50 VanDerWaalsContact O-N 3.11Å; T47-L50 PolarHBondContact O-N 3.21Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.12Å; L50-K53 PolarHBondContact O-N 3.28Å; L50-S54 PolarHBondContact O-N 3.09Å; L50-S54 PolarHBondContact O-OG 3.19Å |
| 51 | R | 94.3 | Very high | 92.2 | Very high | 170 Ų | 170 | 112.2 Ų | 112.2 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.8 | -41.5 | 175.8 | -76.4 | 175.5 | 174 | 179.1 | -0.6 | 112.3 | T47 E48 S54 R55 | T47-R51 WeakPolarHBondContact O-CB 3.34Å; T47-R51 VanDerWaalsContact O-CG 3.32Å; T47-R51 WeakPolarHBondContact O-CG 3.37Å; T47-R51 PolarHBondContact O-N 3.15Å; E48-R51 PolarHBondContact O-N 3.23Å; R51-S54 PolarHBondContact O-OG 2.84Å; R51-R55 WeakPolarHBondContact O-CB 3.4Å; R51-R55 VanDerWaalsContact O-CG 3.29Å; R51-R55 WeakPolarHBondContact O-CG 3.49Å; R51-R55 PolarHBondContact O-N 2.63Å |
| 52 | R | 94.8 | Very high | 90.5 | Very high | 195 Ų | 195 | 112 Ų | 112 | 74% | 0.736 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.4 | -42.2 | 177.1 | -174 | 176.5 | 177.3 | -179.6 | -1.1 | 110.5 | E48 Y49 R55 A56 | E48-R52 WeakPolarHBondContact O-CB 3.17Å; E48-R52 PolarHBondContact O-N 3.09Å; Y49-R52 PolarHBondContact O-N 3.37Å; R52-R55 PolarHBondContact O-N 2.65Å; R52-A56 WeakPolarHBondContact O-CB 3.32Å; R52-A56 PolarHBondContact O-N 3.18Å |
| 53 | K | 96 | Very high | 88.4 | Confident | 131 Ų | 131 | 109.4 Ų | 109.4 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.6 | -44.2 | 176.3 | -171.5 | 177.2 | -179.1 | -179.4 | 0 | 111.9 | Y49 L50 A56 A57 | Y49-K53 WeakPolarHBondContact O-CB 3.31Å; Y49-K53 PolarHBondContact O-N 3.14Å; L50-K53 PolarHBondContact O-N 3.28Å; K53-A56 PolarHBondContact O-N 3.49Å; K53-A57 PolarHBondContact O-N 3.22Å |
| 54 | S | 93.3 | Very high | 86.1 | Confident | 63 Ų | 63 | 112.1 Ų | 112.1 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.4 | -41.9 | 177.2 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | L50 R51 A56 A57 L58 | L50-S54 PolarHBondContact O-N 3.09Å; L50-S54 PolarHBondContact O-OG 3.19Å; R51-S54 PolarHBondContact O-OG 2.84Å; S54-A56 PolarHBondContact O-N 2.87Å; S54-A57 PolarHBondContact O-N 3.08Å; S54-L58 WeakPolarHBondContact O-CG 3.43Å; S54-L58 PolarHBondContact O-N 2.99Å |
| 55 | R | 93 | Very high | 83.9 | Confident | 173 Ų | 173 | 110.6 Ų | 110.6 | 65% | 0.653 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.8 | -43.2 | 174.2 | -74.8 | 178.2 | -179 | -161.2 | -0.1 | 112.2 | R51 R52 A57 L58 Q59 | R51-R55 WeakPolarHBondContact O-CB 3.4Å; R51-R55 VanDerWaalsContact O-CG 3.29Å; R51-R55 WeakPolarHBondContact O-CG 3.49Å; R51-R55 PolarHBondContact O-N 2.63Å; R52-R55 PolarHBondContact O-N 2.65Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 2.62Å; R55-L58 PolarHBondContact O-N 2.91Å; R55-Q59 WeakPolarHBondContact O-CG 3.43Å; R55-Q59 PolarHBondContact O-N 3.29Å |
| 56 | A | 91.8 | Very high | 81.5 | Confident | 52 Ų | 52 | 111.9 Ų | 111.9 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R52 K53 S54 Q59 S60 | R52-A56 WeakPolarHBondContact O-CB 3.32Å; R52-A56 PolarHBondContact O-N 3.18Å; K53-A56 PolarHBondContact O-N 3.49Å; S54-A56 PolarHBondContact O-N 2.87Å; A56-Q59 PolarHBondContact O-N 3.28Å; A56-S60 PolarHBondContact O-N 2.99Å; A56-S60 PolarHBondContact O-OG 2.79Å |
| 57 | A | 90.8 | Very high | 79 | Confident | 54 Ų | 54 | 110.9 Ų | 110.9 | 45% | 0.446 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.6 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | K53 S54 R55 S60 A61 | K53-A57 PolarHBondContact O-N 3.22Å; S54-A57 PolarHBondContact O-N 3.08Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 2.62Å; A57-S60 WeakPolarHBondContact CA-OG 3.32Å; A57-S60 PolarHBondContact O-OG 2.84Å; A57-A61 WeakPolarHBondContact O-CB 3.27Å; A57-A61 PolarHBondContact O-N 3.38Å |
| 58 | L | 85 | Confident | 76.6 | Confident | 128 Ų | 128 | 115.4 Ų | 115.4 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.2 | -39.8 | 174.4 | -72.7 | 172.5 | 0 | 0 | 0 | 112.1 | S54 R55 A61 G62 | S54-L58 WeakPolarHBondContact O-CG 3.43Å; S54-L58 PolarHBondContact O-N 2.99Å; R55-L58 PolarHBondContact O-N 2.91Å; L58-A61 PolarHBondContact O-N 3.28Å; L58-G62 PolarHBondContact O-N 3.44Å |
| 59 | Q | 81.6 | Confident | 73.9 | Confident | 143 Ų | 143 | 114.7 Ų | 114.7 | 67% | 0.668 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.1 | -39.5 | 176.3 | -74 | 174.9 | -6.7 | 0 | 0 | 111.9 | R55 A56 A61 G62 A63 | R55-Q59 WeakPolarHBondContact O-CG 3.43Å; R55-Q59 PolarHBondContact O-N 3.29Å; A56-Q59 PolarHBondContact O-N 3.28Å; Q59-A61 VanDerWaalsContact C-N 3.33Å; Q59-G62 PolarHBondContact O-N 3.36Å; Q59-A63 VanDerWaalsContact O-CB 3.31Å; Q59-A63 WeakPolarHBondContact O-CB 3.19Å; Q59-A63 PolarHBondContact O-N 3.16Å |
| 60 | S | 75.9 | Confident | 72 | Confident | 79 Ų | 79 | 116.4 Ų | 116.4 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.7 | -35 | 174.3 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | A56 A57 | A56-S60 PolarHBondContact O-N 2.99Å; A56-S60 PolarHBondContact O-OG 2.79Å; A57-S60 WeakPolarHBondContact CA-OG 3.32Å; A57-S60 PolarHBondContact O-OG 2.84Å |
| 61 | A | 72 | Confident | 69.5 | Low | 70 Ų | 70 | 122.2 Ų | 122.2 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.3 | -31.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A57 L58 Q59 | A57-A61 WeakPolarHBondContact O-CB 3.27Å; A57-A61 PolarHBondContact O-N 3.38Å; L58-A61 PolarHBondContact O-N 3.28Å; Q59-A61 VanDerWaalsContact C-N 3.33Å |
| 62 | G | 59.3 | Low | 66.8 | Low | 47 Ų | 47 | 119.4 Ų | 119.4 | 49% | 0.485 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -80.9 | -18.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | L58 Q59 E64 G65 | L58-G62 PolarHBondContact O-N 3.44Å; Q59-G62 PolarHBondContact O-N 3.36Å; G62-E64 VanDerWaalsContact C-N 3.33Å; G62-G65 PolarHBondContact O-N 2.84Å |
| 63 | A | 54.9 | Low | 64.6 | Low | 77 Ų | 77 | 114.6 Ų | 114.6 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -14.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q59 | Q59-A63 VanDerWaalsContact O-CB 3.31Å; Q59-A63 WeakPolarHBondContact O-CB 3.19Å; Q59-A63 PolarHBondContact O-N 3.16Å |
| 64 | E | 49.1 | Very low | 61.9 | Low | 188 Ų | 188 | 111.9 Ų | 111.9 | 88% | 0.879 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -0.3 | 171.6 | -81.1 | -172.8 | 150.8 | 0 | 0 | 113.5 | G62 | G62-E64 VanDerWaalsContact C-N 3.33Š|
| 65 | G | 50 | Low | 59.9 | Low | 63 Ų | 63 | 114.3 Ų | 114.3 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | trans | -126.4 | 28.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G62 | G62-G65 PolarHBondContact O-N 2.84Š| ||
| 66 | A | 45.8 | Very low | 58 | Low | 81 Ų | 81 | 114.2 Ų | 114.2 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | trans | -103.8 | 64.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 67 | D | 44.7 | Very low | 56.6 | Low | 163 Ų | 163 | 119.9 Ų | 119.9 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -141.2 | 123.7 | 147.2 | -91.1 | -42.3 | 0 | 0 | 0 | 106.2 | ||
| 68 | D | 46 | Very low | 55.6 | Low | 163 Ų | 163 | 125.1 Ų | 125.1 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | trans | 109.1 | 134 | 166.7 | -149.4 | 35.5 | 0 | 0 | 0 | 119.2 | ||||
| 69 | D | 40.2 | Very low | 55 | Low | 120 Ų | 120 | 125.9 Ų | 125.9 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | trans | 83.3 | 93.8 | 163.4 | -137.2 | 48.3 | 0 | 0 | 0 | 121.2 | R71 | D69-R71 PolarHBondContact O-N 2.95Š| ||
| 70 | E | 57 | Low | 54.6 | Low | 187 Ų | 187 | 125 Ų | 125 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -63.5 | 108.8 | 144.7 | -76 | -148.5 | 158.2 | 0 | 0 | 110.9 | ||||
| 71 | R | 44.3 | Very low | 54.4 | Low | 220 Ų | 220 | 127.5 Ų | 127.5 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | -168.7 | 144.3 | 146.4 | -116.6 | 144.6 | 169.8 | -152.4 | -4.3 | 117 | D69 | D69-R71 PolarHBondContact O-N 2.95Š| ||
| 72 | S | 38.4 | Very low | 53.8 | Low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 87.9 | 94.5 | 153.5 | 77.3 | 0 | 0 | 0 | 0 | 118.1 | A74 | S72-A74 PolarHBondContact O-N 2.91Š| ||
| 73 | G | 47.3 | Very low | 54.2 | Low | 93 Ų | 93 | 135 Ų | 135 | 96% | 0.959 | 76% | 0.764 | S | S | * | * | trans | -71.6 | 93.9 | 157 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 74 | A | 40.6 | Very low | 54.4 | Low | 75 Ų | 75 | 139.2 Ų | 139.2 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | trans | -121.5 | 126.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S72 L76 | S72-A74 PolarHBondContact O-N 2.91Å; A74-L76 PolarHBondContact O-N 3.24Å | ||
| 75 | S | 49.7 | Very low | 54.7 | Low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -52.8 | 103 | 172.1 | 46 | 0 | 0 | 0 | 0 | 109.8 | E77 | S75-E77 VanDerWaalsContact C-N 3.3Å; S75-E77 PolarHBondContact O-N 3.46Å | ||
| 76 | L | 54.3 | Low | 54.8 | Low | 172 Ų | 172 | 143.8 Ų | 143.8 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -65 | 90 | 172.8 | -78.8 | 155.8 | 0 | 0 | 0 | 108.6 | A74 H78 | A74-L76 PolarHBondContact O-N 3.24Å; L76-H78 PolarHBondContact O-N 3.25Å | ||
| 77 | E | 62.4 | Low | 55 | Low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -56.1 | 124.1 | 161.8 | -67.4 | -174.8 | 162.5 | 0 | 0 | 107.8 | S75 L79 | S75-E77 VanDerWaalsContact C-N 3.3Å; S75-E77 PolarHBondContact O-N 3.46Å; E77-L79 PolarHBondContact O-N 3.29Å | ||
| 78 | H | 69.2 | Low | 55.3 | Low | 164 Ų | 164 | 141.6 Ų | 141.6 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -62.5 | 103.2 | -179.7 | -171.5 | 76.3 | 0 | 0 | 0 | 108.9 | L76 N80 | L76-H78 PolarHBondContact O-N 3.25Å; H78-N80 PolarHBondContact CD2-OD1 2.76Å; H78-N80 PolarHBondContact O-N 2.92Å | ||
| 79 | L | 71.8 | Confident | 55.7 | Low | 144 Ų | 144 | 140.9 Ų | 140.9 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -62 | 106.7 | 171.4 | -72.4 | 167.9 | 0 | 0 | 0 | 108 | E77 L81 | E77-L79 PolarHBondContact O-N 3.29Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 HydrophobicContact CB-CD1 3.7Å; L79-L81 WeakPolarHBondContact O-CD1 3.47Å; L79-L81 PolarHBondContact O-N 3.45Å | ||
| 80 | N | 73.4 | Confident | 56.5 | Low | 124 Ų | 124 | 144.2 Ų | 144.2 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | trans | -69.7 | 86.5 | 173 | -74.1 | -37.8 | 0 | 0 | 0 | 108.8 | H78 F82 | H78-N80 PolarHBondContact CD2-OD1 2.76Å; H78-N80 PolarHBondContact O-N 2.92Å; N80-F82 PolarHBondContact O-N 2.9Å; N80-F82 VanDerWaalsContact O-N 3.13Å | ||
| 81 | L | 72.3 | Confident | 56.4 | Low | 133 Ų | 133 | 144.1 Ų | 144.1 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -64.1 | -11.3 | 175.9 | -95.4 | 65 | 0 | 0 | 0 | 113.2 | L79 | L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 HydrophobicContact CB-CD1 3.7Å; L79-L81 WeakPolarHBondContact O-CD1 3.47Å; L79-L81 PolarHBondContact O-N 3.45Å |
| 82 | F | 58.5 | Low | 56.9 | Low | 180 Ų | 180 | 135.6 Ų | 135.6 | 79% | 0.789 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -133 | 98.4 | 176.1 | -58.7 | -76.9 | 0 | 0 | 0 | 110.1 | N80 L84 | N80-F82 PolarHBondContact O-N 2.9Å; N80-F82 VanDerWaalsContact O-N 3.13Å; F82-L84 PolarHBondContact O-N 3Å |
| 83 | P | 69 | Low | 58.1 | Low | 95 Ų | 95 | 135.7 Ų | 135.7 | 62% | 0.617 | 74% | 0.74 | S | S | * | * | trans | -56.3 | 129.1 | 164.5 | -18.9 | 31.4 | 0 | 0 | 0 | 108.7 | E85 | P83-E85 PolarHBondContact O-N 2.85Š| ||
| 84 | L | 58 | Low | 59.7 | Low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 7.3 | -171.2 | -149.6 | 77.5 | 0 | 0 | 0 | 114.4 | F82 | F82-L84 PolarHBondContact O-N 3Š|
| 85 | E | 55.9 | Low | 61.5 | Low | 171 Ų | 171 | 140.3 Ų | 140.3 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -12.6 | -172.8 | -65.9 | -170.9 | 157.5 | 0 | 0 | 113.8 | P83 | P83-E85 PolarHBondContact O-N 2.85Š|
| 86 | E | 52.1 | Low | 62.7 | Low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -101.6 | -0.4 | -178.8 | -67.2 | -173.8 | 164.5 | 0 | 0 | 114.9 | T88 | E86-T88 PolarHBondContact O-N 3.04Š|
| 87 | A | 50.3 | Low | 64 | Low | 73 Ų | 73 | 138 Ų | 138 | 60% | 0.603 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 16.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 88 | T | 51 | Low | 65 | Low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 4.5 | 178.2 | 50.7 | 0 | 0 | 0 | 0 | 114.2 | E86 | E86-T88 PolarHBondContact O-N 3.04Š|
| 89 | E | 54.5 | Low | 65.7 | Low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | trans | -117.5 | 52 | 172.9 | -64.1 | -164.4 | -172.2 | 0 | 0 | 112.6 | K91 | E89-K91 PolarHBondContact O-N 3.34Š| ||
| 90 | K | 55.7 | Low | 66.5 | Low | 190 Ų | 190 | 133.1 Ų | 133.1 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | trans | -68 | 91.3 | 149.6 | -70.1 | -179.6 | -175 | 174.2 | 0 | 106.5 | G92 | K90-G92 PolarHBondContact O-N 3.5Š| ||
| 91 | K | 56.3 | Low | 67.2 | Low | 186 Ų | 186 | 133.6 Ų | 133.6 | 81% | 0.809 | 66% | 0.656 | S | S | * | * | trans | -62 | 66.1 | 159 | -71.2 | 177.3 | -179.7 | 172.3 | 0 | 108.8 | E89 | E89-K91 PolarHBondContact O-N 3.34Š| ||
| 92 | G | 53.7 | Low | 68 | Low | 41 Ų | 41 | 132.1 Ų | 132.1 | 42% | 0.423 | 65% | 0.646 | S | S | . | * | trans | -77.7 | 134.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | K90 E94 | K90-G92 PolarHBondContact O-N 3.5Å; G92-E94 PolarHBondContact O-N 2.99Å | ||
| 93 | N | 64.9 | Low | 69.5 | Low | 113 Ų | 113 | 128.9 Ų | 128.9 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | trans | -24.6 | 108.5 | -176.9 | -119.7 | 10.8 | 0 | 0 | 0 | 112.4 | E95 Y96 L97 | N93-E95 PolarHBondContact O-N 3.24Å; N93-E95 VanDerWaalsContact O-N 3.11Å; N93-Y96 WeakPolarHBondContact O-CA 3.47Å; N93-Y96 WeakPolarHBondContact O-CB 3.47Å; N93-Y96 PolarHBondContact O-N 2.97Å; N93-L97 PolarHBondContact O-N 3.16Å | ||
| 94 | E | 80.1 | Confident | 70.4 | Confident | 126 Ų | 126 | 129.9 Ų | 129.9 | 59% | 0.589 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -56.1 | -32.7 | 180 | -66.7 | -175.1 | -177.7 | 0 | 0 | 111 | G92 Y96 L97 R98 | G92-E94 PolarHBondContact O-N 2.99Å; E94-Y96 VanDerWaalsContact C-N 3.34Å; E94-Y96 PolarHBondContact O-N 3.46Å; E94-L97 PolarHBondContact O-N 3.42Å; E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.48Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE2-CZ 2.65Å; E94-R98 IonicContact OE2-NH2 3.83Å; E94-R98 PolarHBondContact OE2-NH2 3.13Å |
| 95 | E | 78.3 | Confident | 71.9 | Confident | 138 Ų | 138 | 125 Ų | 125 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.3 | -40.8 | 173.4 | -62.3 | -177.5 | 163.2 | 0 | 0 | 112.5 | N93 L97 R98 E99 | N93-E95 PolarHBondContact O-N 3.24Å; N93-E95 VanDerWaalsContact O-N 3.11Å; E95-L97 PolarHBondContact O-N 2.9Å; E95-R98 PolarHBondContact O-N 2.84Å; E95-E99 WeakPolarHBondContact O-CB 3.43Å; E95-E99 PolarHBondContact O-N 3.39Å |
| 96 | Y | 76.1 | Confident | 73.5 | Confident | 132 Ų | 132 | 123 Ų | 123 | 52% | 0.518 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.1 | -37.5 | 178.8 | 176.5 | -102.3 | 0 | 0 | 0 | 112 | N93 E94 K100 | N93-Y96 WeakPolarHBondContact O-CA 3.47Å; N93-Y96 WeakPolarHBondContact O-CB 3.47Å; N93-Y96 PolarHBondContact O-N 2.97Å; E94-Y96 VanDerWaalsContact C-N 3.34Å; E94-Y96 PolarHBondContact O-N 3.46Å; Y96-K100 HydrophobicContact CE1-CD 4.42Å; Y96-K100 VanDerWaalsContact O-CB 3.26Å; Y96-K100 WeakPolarHBondContact O-CB 3.36Å; Y96-K100 PolarHBondContact O-N 2.98Å |
| 97 | L | 80.3 | Confident | 75.3 | Confident | 106 Ų | 106 | 119.6 Ų | 119.6 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.4 | -36.9 | 175.8 | -65.4 | 177.5 | 0 | 0 | 0 | 111.6 | N93 E94 E95 K101 | N93-L97 PolarHBondContact O-N 3.16Å; E94-L97 PolarHBondContact O-N 3.42Å; E95-L97 PolarHBondContact O-N 2.9Å; L97-K101 WeakPolarHBondContact O-CB 3.13Å; L97-K101 PolarHBondContact O-N 3.07Å |
| 98 | R | 83.9 | Confident | 77.1 | Confident | 149 Ų | 149 | 119.5 Ų | 119.5 | 56% | 0.562 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.2 | -48 | 173.9 | -71.2 | 174.1 | -165.9 | 175.7 | 9.9 | 111.3 | E94 E95 K100 K101 E102 | E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.48Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE2-CZ 2.65Å; E94-R98 IonicContact OE2-NH2 3.83Å; E94-R98 PolarHBondContact OE2-NH2 3.13Å; E95-R98 PolarHBondContact O-N 2.84Å; R98-K100 VanDerWaalsContact C-N 3.34Å; R98-K100 PolarHBondContact O-N 3.46Å; R98-K101 WeakPolarHBondContact O-CB 3.5Å; R98-K101 PolarHBondContact O-N 3.04Å; R98-K101 VanDerWaalsContact O-N 3.07Å; R98-E102 WeakPolarHBondContact O-CG 3.42Å; R98-E102 PolarHBondContact O-N 3.46Å |
| 99 | E | 83.9 | Confident | 78.8 | Confident | 127 Ų | 127 | 120.2 Ų | 120.2 | 59% | 0.593 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.9 | -44.1 | 178.1 | -173.8 | 177.2 | -161.7 | 0 | 0 | 111.6 | E95 K101 E102 E103 | E95-E99 WeakPolarHBondContact O-CB 3.43Å; E95-E99 PolarHBondContact O-N 3.39Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.32Å; E99-E102 PolarHBondContact O-N 3.03Å; E99-E103 WeakPolarHBondContact O-CB 3.35Å; E99-E103 PolarHBondContact O-N 2.83Å |
| 100 | K | 88.3 | Confident | 80 | Confident | 98 Ų | 98 | 117.4 Ų | 117.4 | 43% | 0.426 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.5 | -31.2 | 176.4 | -166 | 175.4 | -171 | 171.4 | 0 | 112.8 | Y96 R98 K104 | Y96-K100 HydrophobicContact CE1-CD 4.42Å; Y96-K100 VanDerWaalsContact O-CB 3.26Å; Y96-K100 WeakPolarHBondContact O-CB 3.36Å; Y96-K100 PolarHBondContact O-N 2.98Å; R98-K100 VanDerWaalsContact C-N 3.34Å; R98-K100 PolarHBondContact O-N 3.46Å; K100-K104 WeakPolarHBondContact O-CG 3.31Å; K100-K104 PolarHBondContact O-N 2.85Å |
| 101 | K | 88.7 | Confident | 81.5 | Confident | 135 Ų | 135 | 115 Ų | 115 | 59% | 0.587 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.6 | -45.1 | 174.6 | -167.5 | 179.1 | 177.5 | -174.5 | 0 | 110.5 | L97 R98 E99 E103 K104 E105 | L97-K101 WeakPolarHBondContact O-CB 3.13Å; L97-K101 PolarHBondContact O-N 3.07Å; R98-K101 WeakPolarHBondContact O-CB 3.5Å; R98-K101 PolarHBondContact O-N 3.04Å; R98-K101 VanDerWaalsContact O-N 3.07Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.32Å; K101-E103 VanDerWaalsContact C-N 3.33Å; K101-E103 PolarHBondContact O-N 3.18Å; K101-K104 WeakPolarHBondContact O-CB 3.32Å; K101-K104 PolarHBondContact O-N 2.82Å; K101-E105 WeakPolarHBondContact O-CG 3.3Å; K101-E105 PolarHBondContact O-N 3.24Å |
| 102 | E | 88.5 | Confident | 82.7 | Confident | 102 Ų | 102 | 108.2 Ų | 108.2 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 175.3 | -72.3 | -178 | -164.4 | 0 | 0 | 112.9 | R98 E99 E105 K106 | R98-E102 WeakPolarHBondContact O-CG 3.42Å; R98-E102 PolarHBondContact O-N 3.46Å; E99-E102 PolarHBondContact O-N 3.03Å; E102-E105 PolarHBondContact O-N 3.01Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 VanDerWaalsContact O-CG 3.23Å; E102-K106 WeakPolarHBondContact O-CG 3.39Å; E102-K106 PolarHBondContact O-N 3.18Å; E102-K106 IonicContact OE2-NZ 3.93Å |
| 103 | E | 89.1 | Confident | 83.9 | Confident | 111 Ų | 111 | 112.5 Ų | 112.5 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 177.1 | -166.7 | -179.8 | -168.4 | 0 | 0 | 111.2 | E99 K101 K106 Q107 | E99-E103 WeakPolarHBondContact O-CB 3.35Å; E99-E103 PolarHBondContact O-N 2.83Å; K101-E103 VanDerWaalsContact C-N 3.33Å; K101-E103 PolarHBondContact O-N 3.18Å; E103-K106 PolarHBondContact O-N 3.4Å; E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.17Å; E103-Q107 PolarHBondContact O-N 3.27Å |
| 104 | K | 88.9 | Confident | 84.1 | Confident | 117 Ų | 117 | 110.2 Ų | 110.2 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 171.8 | -74.9 | 178.6 | 175.9 | -169.7 | 0 | 111.8 | K100 K101 K106 Q107 E108 | K100-K104 WeakPolarHBondContact O-CG 3.31Å; K100-K104 PolarHBondContact O-N 2.85Å; K101-K104 WeakPolarHBondContact O-CB 3.32Å; K101-K104 PolarHBondContact O-N 2.82Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.02Å; K104-Q107 WeakPolarHBondContact O-CB 3.4Å; K104-Q107 PolarHBondContact O-N 3.05Å; K104-Q107 VanDerWaalsContact O-N 3.15Å; K104-E108 WeakPolarHBondContact O-CB 3.39Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.48Å; K104-E108 PolarHBondContact O-N 2.86Å |
| 105 | E | 89.3 | Confident | 83.9 | Confident | 60 Ų | 60 | 108.4 Ų | 108.4 | 28% | 0.28 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 177.5 | -72.5 | -177.3 | -166.4 | 0 | 0 | 111.9 | K101 E102 R109 L114 | K101-E105 WeakPolarHBondContact O-CG 3.3Å; K101-E105 PolarHBondContact O-N 3.24Å; E102-E105 PolarHBondContact O-N 3.01Å; E105-R109 WeakPolarHBondContact O-CB 3.18Å; E105-R109 WeakPolarHBondContact O-CG 3.42Å; E105-R109 PolarHBondContact O-N 3.34Å; E105-L114 HydrophobicContact CB-CD2 3.55Å; E105-L114 HydrophobicContact CG-CD2 3.56Å |
| 106 | K | 90.1 | Very high | 83.2 | Confident | 130 Ų | 130 | 105 Ų | 105 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 172.9 | -76.2 | 167.3 | -173.3 | 163.7 | 0 | 111.5 | E102 E103 K104 R109 A110 | E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 VanDerWaalsContact O-CG 3.23Å; E102-K106 WeakPolarHBondContact O-CG 3.39Å; E102-K106 PolarHBondContact O-N 3.18Å; E102-K106 IonicContact OE2-NZ 3.93Å; E103-K106 PolarHBondContact O-N 3.4Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.02Å; K106-R109 PolarHBondContact O-N 3.08Å; K106-A110 VanDerWaalsContact O-CB 3.26Å; K106-A110 WeakPolarHBondContact O-CB 3.46Å; K106-A110 PolarHBondContact O-N 3.4Å |
| 107 | Q | 89.1 | Confident | 82.6 | Confident | 104 Ų | 104 | 107.7 Ų | 107.7 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 175.3 | -73.1 | 174.9 | 10.3 | 0 | 0 | 111.1 | E103 K104 R109 A110 I111 | E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.17Å; E103-Q107 PolarHBondContact O-N 3.27Å; K104-Q107 WeakPolarHBondContact O-CB 3.4Å; K104-Q107 PolarHBondContact O-N 3.05Å; K104-Q107 VanDerWaalsContact O-N 3.15Å; Q107-R109 PolarHBondContact O-N 3.36Å; Q107-A110 PolarHBondContact O-N 3Å; Q107-I111 WeakPolarHBondContact O-CB 3.25Å; Q107-I111 WeakPolarHBondContact O-CD1 3.38Å; Q107-I111 WeakPolarHBondContact O-CG1 3.35Å; Q107-I111 PolarHBondContact O-N 3.48Å |
| 108 | E | 88.3 | Confident | 81.8 | Confident | 72 Ų | 72 | 104.8 Ų | 104.8 | 34% | 0.336 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 177.1 | -70.8 | 175.8 | -174 | 0 | 0 | 111.9 | K104 I111 G112 L113 L114 | K104-E108 WeakPolarHBondContact O-CB 3.39Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.48Å; K104-E108 PolarHBondContact O-N 2.86Å; E108-I111 PolarHBondContact O-N 3.5Å; E108-G112 CarbonylContact O-C 3.56Å; E108-G112 PolarHBondContact O-N 3.26Å; E108-L113 HydrophobicContact CB-CB 4.19Å; E108-L113 HydrophobicContact CG-CD2 4.06Å; E108-L113 PolarHBondContact O-N 3.43Å; E108-L114 HydrophobicContact CB-CB 3.7Å; E108-L114 PolarHBondContact O-N 3.49Å; E108-L114 VanDerWaalsContact O-N 3.14Å |
| 109 | R | 87.1 | Confident | 80.8 | Confident | 139 Ų | 139 | 102.2 Ų | 102.2 | 53% | 0.525 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 170.9 | -80.9 | 171.4 | -172.5 | -175.5 | 9.5 | 111.8 | E105 K106 Q107 G112 L114 V115 | E105-R109 WeakPolarHBondContact O-CB 3.18Å; E105-R109 WeakPolarHBondContact O-CG 3.42Å; E105-R109 PolarHBondContact O-N 3.34Å; K106-R109 PolarHBondContact O-N 3.08Å; Q107-R109 PolarHBondContact O-N 3.36Å; R109-G112 PolarHBondContact O-N 3.13Å; R109-L114 HydrophobicContact CG-CB 4.04Å; R109-L114 HydrophobicContact CG-CD2 4.23Å; R109-L114 HydrophobicContact CG-CG 4.26Å; R109-L114 WeakPolarHBondContact CG-O 3.48Å; R109-V115 WeakPolarHBondContact O-CG2 3.38Å |
| 110 | A | 80.5 | Confident | 79.9 | Confident | 90 Ų | 90 | 101.4 Ų | 101.4 | 74% | 0.744 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68 | -35.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K106 Q107 G112 | K106-A110 VanDerWaalsContact O-CB 3.26Å; K106-A110 WeakPolarHBondContact O-CB 3.46Å; K106-A110 PolarHBondContact O-N 3.4Å; Q107-A110 PolarHBondContact O-N 3Å; A110-G112 VanDerWaalsContact C-N 3.3Å |
| 111 | I | 86.3 | Confident | 78.3 | Confident | 138 Ų | 138 | 103 Ų | 103 | 71% | 0.708 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.8 | -23.7 | 174.8 | -69.2 | 164.9 | 0 | 0 | 0 | 111.3 | Q107 E108 | Q107-I111 WeakPolarHBondContact O-CB 3.25Å; Q107-I111 WeakPolarHBondContact O-CD1 3.38Å; Q107-I111 WeakPolarHBondContact O-CG1 3.35Å; Q107-I111 PolarHBondContact O-N 3.48Å; E108-I111 PolarHBondContact O-N 3.5Å |
| 112 | G | 81.4 | Confident | 77.1 | Confident | 44 Ų | 44 | 100.5 Ų | 100.5 | 45% | 0.454 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 97.1 | 2.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E108 R109 A110 | E108-G112 CarbonylContact O-C 3.56Å; E108-G112 PolarHBondContact O-N 3.26Å; R109-G112 PolarHBondContact O-N 3.13Å; A110-G112 VanDerWaalsContact C-N 3.3Å |
| 113 | L | 79.8 | Confident | 75.8 | Confident | 132 Ų | 132 | 98.2 Ų | 98.2 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -42.7 | -179.8 | -171.1 | 71.2 | 0 | 0 | 0 | 111.9 | E108 V115 | E108-L113 HydrophobicContact CB-CB 4.19Å; E108-L113 HydrophobicContact CG-CD2 4.06Å; E108-L113 PolarHBondContact O-N 3.43Å; L113-V115 VanDerWaalsContact C-N 3.35Å |
| 114 | L | 67.9 | Low | 74.6 | Confident | 65 Ų | 65 | 102.1 Ų | 102.1 | 34% | 0.34 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102 | 32 | 174.3 | -166.1 | 71.4 | 0 | 0 | 0 | 110.6 | E105 E108 R109 S116 | E105-L114 HydrophobicContact CB-CD2 3.55Å; E105-L114 HydrophobicContact CG-CD2 3.56Å; E108-L114 HydrophobicContact CB-CB 3.7Å; E108-L114 PolarHBondContact O-N 3.49Å; E108-L114 VanDerWaalsContact O-N 3.14Å; R109-L114 HydrophobicContact CG-CB 4.04Å; R109-L114 HydrophobicContact CG-CD2 4.23Å; R109-L114 HydrophobicContact CG-CG 4.26Å; R109-L114 WeakPolarHBondContact CG-O 3.48Å; L114-S116 PolarHBondContact O-N 3.5Å |
| 115 | V | 77.1 | Confident | 73.7 | Confident | 88 Ų | 88 | 101 Ų | 101 | 53% | 0.533 | 58% | 0.583 | S | S | . | * | trans | -76.7 | 109 | 165.9 | 166 | 0 | 0 | 0 | 0 | 106.6 | R109 L113 L117 | R109-V115 WeakPolarHBondContact O-CG2 3.38Å; L113-V115 VanDerWaalsContact C-N 3.35Å; V115-L117 PolarHBondContact O-N 2.82Å | ||
| 116 | S | 63.2 | Low | 73.1 | Confident | 66 Ų | 66 | 101.3 Ų | 101.3 | 46% | 0.462 | 59% | 0.59 | S | S | . | * | trans | -51.3 | 113.1 | 169 | 54.4 | 0 | 0 | 0 | 0 | 107.9 | L114 G118 Q120 | L114-S116 PolarHBondContact O-N 3.5Å; S116-G118 PolarHBondContact O-N 2.87Å; S116-Q120 PolarHBondContact OG-NE2 3.2Å | ||
| 117 | L | 62 | Low | 72.5 | Confident | 188 Ų | 188 | 97.2 Ų | 97.2 | 98% | 0.984 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -68.8 | 79.7 | 178.8 | -172.3 | 74.2 | 0 | 0 | 0 | 108.9 | V115 | V115-L117 PolarHBondContact O-N 2.82Š|
| 118 | G | 64.2 | Low | 72 | Confident | 45 Ų | 45 | 101.3 Ų | 101.3 | 46% | 0.464 | 59% | 0.587 | S | S | . | * | S | Bend | trans | 142.7 | 165.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | S116 | S116-G118 PolarHBondContact O-N 2.87Š|
| 119 | P | 63.5 | Low | 71.4 | Confident | 95 Ų | 95 | 105.3 Ų | 105.3 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -54.9 | 143.6 | 169.3 | -19.5 | 31.6 | 0 | 0 | 0 | 110.4 | V125 | P119-V125 HydrophobicContact CB-CG2 4.43Š|
| 120 | Q | 65.3 | Low | 71.1 | Confident | 110 Ų | 110 | 105.3 Ų | 105.3 | 51% | 0.514 | 61% | 0.608 | S | S | . | * | trans | -58.1 | 142.8 | 177.5 | -68.5 | -75.2 | -62.2 | 0 | 0 | 110 | S116 G122 S123 | S116-Q120 PolarHBondContact OG-NE2 3.2Å; Q120-G122 PolarHBondContact O-N 3.33Å; Q120-S123 PolarHBondContact N-OG 3.49Å; Q120-S123 PolarHBondContact O-N 2.83Å; Q120-S123 PolarHBondContact O-OG 3.49Å; Q120-S123 VanDerWaalsContact O-OG 3.09Å | ||
| 121 | P | 54.1 | Low | 71.1 | Confident | 133 Ų | 133 | 102.9 Ų | 102.9 | 86% | 0.864 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 114 | 172.6 | 25.7 | -32.3 | 0 | 0 | 0 | 108.6 | ||
| 122 | G | 62.5 | Low | 70.9 | Confident | 82 Ų | 82 | 99.1 Ų | 99.1 | 85% | 0.845 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110 | -11.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q120 E124 | Q120-G122 PolarHBondContact O-N 3.33Å; G122-E124 PolarHBondContact O-N 2.86Å |
| 123 | S | 62.7 | Low | 70.7 | Confident | 53 Ų | 53 | 101.8 Ų | 101.8 | 37% | 0.371 | 58% | 0.578 | S | S | . | * | trans | -94.3 | 87.3 | 162.3 | 67.3 | 0 | 0 | 0 | 0 | 108.4 | Q120 V125 | Q120-S123 PolarHBondContact N-OG 3.49Å; Q120-S123 PolarHBondContact O-N 2.83Å; Q120-S123 PolarHBondContact O-OG 3.49Å; Q120-S123 VanDerWaalsContact O-OG 3.09Å; S123-V125 PolarHBondContact O-N 2.91Å | ||
| 124 | E | 62.7 | Low | 70.5 | Confident | 193 Ų | 193 | 102.1 Ų | 102.1 | 90% | 0.902 | 58% | 0.576 | S | S | * | * | trans | -68 | 76.8 | 165.3 | -68.2 | -179.7 | -170.1 | 0 | 0 | 108.2 | G122 T126 | G122-E124 PolarHBondContact O-N 2.86Å; E124-T126 PolarHBondContact O-N 3.5Å | ||
| 125 | V | 70.4 | Confident | 71 | Confident | 93 Ų | 93 | 102.6 Ų | 102.6 | 56% | 0.564 | 58% | 0.577 | S | S | * | * | trans | -64.4 | 105.4 | 168 | 174.1 | 0 | 0 | 0 | 0 | 105.5 | P119 S123 P127 | P119-V125 HydrophobicContact CB-CG2 4.43Å; S123-V125 PolarHBondContact O-N 2.91Å; V125-P127 WeakPolarHBondContact O-CD 3.33Å | ||
| 126 | T | 77.6 | Confident | 71 | Confident | 68 Ų | 68 | 101.8 Ų | 101.8 | 42% | 0.417 | 57% | 0.566 | S | S | . | * | trans | -51.3 | 113.6 | 174.3 | 24.2 | 0 | 0 | 0 | 0 | 108.1 | E124 K131 | E124-T126 PolarHBondContact O-N 3.5Å; T126-K131 WeakPolarHBondContact O-CE 3.09Å | ||
| 127 | P | 77.3 | Confident | 71.7 | Confident | 43 Ų | 43 | 103.4 Ų | 103.4 | 28% | 0.279 | 57% | 0.566 | S | S | . | * | trans | -62.4 | 146.7 | -175.5 | 16.7 | -23.7 | 0 | 0 | 0 | 109.4 | V125 Y129 M130 K131 | V125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-Y129 HydrophobicContact CB-CD1 3.88Å; P127-Y129 HydrophobicContact CB-CD2 4.48Å; P127-Y129 HydrophobicContact CB-CE1 3.37Å; P127-Y129 HydrophobicContact CB-CE2 4.02Å; P127-Y129 HydrophobicContact CB-CG 4.41Å; P127-Y129 VanDerWaalsContact CB-CZ 3.43Å; P127-Y129 HydrophobicContact CG-CD2 4.42Å; P127-Y129 HydrophobicContact CG-CE1 3.95Å; P127-Y129 HydrophobicContact CG-CE2 3.71Å; P127-Y129 VanDerWaalsContact CG-CZ 3.42Å; P127-Y129 WeakPolarHBondContact CG-OH 3.34Å; P127-Y129 PolarHBondContact O-N 3.27Å; P127-M130 HydrophobicContact CG-CB 4.49Å; P127-M130 HydrophobicContact CG-CG 4.14Å; P127-M130 PolarHBondContact O-N 3.44Å; P127-K131 PolarHBondContact O-N 2.89Å | ||
| 128 | W | 77.1 | Confident | 72.5 | Confident | 190 Ų | 190 | 100.1 Ų | 100.1 | 72% | 0.72 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -21.6 | -171 | 70.5 | -90 | 0 | 0 | 0 | 114 | K136 | W128-K136 WeakPolarHBondContact O-CE 3.24Å; W128-K136 PolarHBondContact O-NZ 2.95Å |
| 129 | Y | 76.2 | Confident | 73.1 | Confident | 157 Ų | 157 | 100.6 Ų | 100.6 | 62% | 0.616 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -19.4 | 176.6 | 55.7 | -101.3 | 0 | 0 | 0 | 114 | P127 | P127-Y129 HydrophobicContact CB-CD1 3.88Å; P127-Y129 HydrophobicContact CB-CD2 4.48Å; P127-Y129 HydrophobicContact CB-CE1 3.37Å; P127-Y129 HydrophobicContact CB-CE2 4.02Å; P127-Y129 HydrophobicContact CB-CG 4.41Å; P127-Y129 VanDerWaalsContact CB-CZ 3.43Å; P127-Y129 HydrophobicContact CG-CD2 4.42Å; P127-Y129 HydrophobicContact CG-CE1 3.95Å; P127-Y129 HydrophobicContact CG-CE2 3.71Å; P127-Y129 VanDerWaalsContact CG-CZ 3.42Å; P127-Y129 WeakPolarHBondContact CG-OH 3.34Å; P127-Y129 PolarHBondContact O-N 3.27Å |
| 130 | M | 80.6 | Confident | 73.7 | Confident | 139 Ų | 139 | 104.4 Ų | 104.4 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -15.4 | 174.5 | -64.1 | -153.4 | 84.7 | 0 | 0 | 113.5 | P127 S132 | P127-M130 HydrophobicContact CG-CB 4.49Å; P127-M130 HydrophobicContact CG-CG 4.14Å; P127-M130 PolarHBondContact O-N 3.44Å; M130-S132 PolarHBondContact O-N 3.43Å |
| 131 | K | 81.3 | Confident | 74.2 | Confident | 38 Ų | 38 | 104.2 Ų | 104.2 | 17% | 0.165 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -65.9 | 130.7 | 174.2 | -69.2 | -176.8 | 171 | 179.6 | 0 | 111 | T126 P127 E135 K136 E139 | T126-K131 WeakPolarHBondContact O-CE 3.09Å; P127-K131 PolarHBondContact O-N 2.89Å; K131-E135 WeakPolarHBondContact CA-OE2 3.28Å; K131-K136 HydrophobicContact CB-CG 4.04Å; K131-K136 VanDerWaalsContact O-CE 3.31Å; K131-K136 WeakPolarHBondContact O-CE 3.45Å; K131-K136 PolarHBondContact O-NZ 3.48Å; K131-E139 IonicContact NZ-OE1 2.8Å; K131-E139 IonicContact NZ-OE2 3.5Å; K131-E139 PolarHBondContact NZ-OE2 3.36Å |
| 132 | S | 82 | Confident | 75.3 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | trans | -63.5 | 158 | 175.7 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | M130 Q134 E135 K136 | M130-S132 PolarHBondContact O-N 3.43Å; S132-Q134 PolarHBondContact O-N 3.34Å; S132-E135 PolarHBondContact N-OE2 2.92Å; S132-E135 PolarHBondContact O-N 2.91Å; S132-E135 VanDerWaalsContact OG-CB 3.31Å; S132-E135 WeakPolarHBondContact OG-CB 3.45Å; S132-E135 PolarHBondContact OG-N 3.32Å; S132-E135 VanDerWaalsContact OG-N 3.12Å; S132-K136 WeakPolarHBondContact O-CG 3.44Å; S132-K136 PolarHBondContact O-N 3Å | ||
| 133 | S | 77.2 | Confident | 75.7 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 70% | 0.699 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.1 | -31.7 | 176.5 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | E137 | S133-E137 PolarHBondContact O-N 3.04Å; S133-E137 VanDerWaalsContact O-N 3.08Å |
| 134 | Q | 76.6 | Confident | 75.8 | Confident | 139 Ų | 139 | 105.5 Ų | 105.5 | 65% | 0.65 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.7 | -45.6 | 179.9 | -162.4 | 167.7 | -7 | 0 | 0 | 111.3 | S132 K136 E137 E138 | S132-Q134 PolarHBondContact O-N 3.34Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.49Å; Q134-E137 WeakPolarHBondContact O-CB 3.4Å; Q134-E137 PolarHBondContact O-N 3.2Å; Q134-E137 VanDerWaalsContact O-N 3.07Å; Q134-E138 PolarHBondContact O-N 3.1Å |
| 135 | E | 78 | Confident | 75.9 | Confident | 75 Ų | 75 | 103.2 Ų | 103.2 | 35% | 0.35 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 175.1 | -167.1 | -176.1 | 175 | 0 | 0 | 111.9 | K131 S132 E137 E139 | K131-E135 WeakPolarHBondContact CA-OE2 3.28Å; S132-E135 PolarHBondContact N-OE2 2.92Å; S132-E135 PolarHBondContact O-N 2.91Å; S132-E135 VanDerWaalsContact OG-CB 3.31Å; S132-E135 WeakPolarHBondContact OG-CB 3.45Å; S132-E135 PolarHBondContact OG-N 3.32Å; S132-E135 VanDerWaalsContact OG-N 3.12Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E135-E139 WeakPolarHBondContact O-CB 3.31Å; E135-E139 PolarHBondContact O-N 2.69Å |
| 136 | K | 76.9 | Confident | 75.8 | Confident | 71 Ų | 71 | 108.2 Ų | 108.2 | 31% | 0.309 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 172 | -75.2 | 173.6 | -178.2 | 166.1 | 0 | 112.7 | W128 K131 S132 Q134 R140 | W128-K136 WeakPolarHBondContact O-CE 3.24Å; W128-K136 PolarHBondContact O-NZ 2.95Å; K131-K136 HydrophobicContact CB-CG 4.04Å; K131-K136 VanDerWaalsContact O-CE 3.31Å; K131-K136 WeakPolarHBondContact O-CE 3.45Å; K131-K136 PolarHBondContact O-NZ 3.48Å; S132-K136 WeakPolarHBondContact O-CG 3.44Å; S132-K136 PolarHBondContact O-N 3Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.49Å; K136-R140 WeakPolarHBondContact O-CB 3.27Å; K136-R140 VanDerWaalsContact O-CG 3.27Å; K136-R140 WeakPolarHBondContact O-CG 3.38Å; K136-R140 PolarHBondContact O-N 2.98Å |
| 137 | E | 76.8 | Confident | 75.4 | Confident | 100 Ų | 100 | 112.4 Ų | 112.4 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.8 | -39.6 | 179.2 | -159 | -176 | 145.9 | 0 | 0 | 111.3 | S133 Q134 E135 R140 K141 | S133-E137 PolarHBondContact O-N 3.04Å; S133-E137 VanDerWaalsContact O-N 3.08Å; Q134-E137 WeakPolarHBondContact O-CB 3.4Å; Q134-E137 PolarHBondContact O-N 3.2Å; Q134-E137 VanDerWaalsContact O-N 3.07Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E137-R140 PolarHBondContact O-N 3.43Å; E137-K141 WeakPolarHBondContact O-CG 3.5Å; E137-K141 PolarHBondContact O-N 3.42Å; E137-K141 VanDerWaalsContact OE1-CE 3.31Å; E137-K141 WeakPolarHBondContact OE1-CE 3.11Å; E137-K141 IonicContact OE1-NZ 3.96Å; E137-K141 PolarHBondContact OE1-NZ 2.94Å |
| 138 | E | 79.3 | Confident | 74.8 | Confident | 119 Ų | 119 | 113.6 Ų | 113.6 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -44.8 | 173.9 | -72.5 | 177.2 | -179.3 | 0 | 0 | 112 | Q134 R140 K141 E142 | Q134-E138 PolarHBondContact O-N 3.1Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.85Å; E138-K141 PolarHBondContact O-N 2.66Å; E138-K141 VanDerWaalsContact O-N 3.17Å; E138-E142 WeakPolarHBondContact O-CB 3.26Å; E138-E142 PolarHBondContact O-N 3.12Å |
| 139 | E | 77.7 | Confident | 74.3 | Confident | 56 Ų | 56 | 106.5 Ų | 106.5 | 26% | 0.262 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 176.4 | -169.2 | -173.9 | 159.9 | 0 | 0 | 111.8 | K131 E135 K143 | K131-E139 IonicContact NZ-OE1 2.8Å; K131-E139 IonicContact NZ-OE2 3.5Å; K131-E139 PolarHBondContact NZ-OE2 3.36Å; E135-E139 WeakPolarHBondContact O-CB 3.31Å; E135-E139 PolarHBondContact O-N 2.69Å; E139-K143 HydrophobicContact CG-CD 4.3Å; E139-K143 WeakPolarHBondContact O-CB 3.29Å; E139-K143 VanDerWaalsContact O-CG 3.32Å; E139-K143 WeakPolarHBondContact O-CG 3.31Å; E139-K143 PolarHBondContact O-N 3.1Å; E139-K143 WeakPolarHBondContact OE1-CE 3.34Å; E139-K143 IonicContact OE1-NZ 2.84Å; E139-K143 PolarHBondContact OE1-NZ 3.13Å |
| 140 | R | 75.4 | Confident | 74.3 | Confident | 174 Ų | 174 | 102 Ų | 102 | 66% | 0.657 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -48.8 | 172.9 | -78.3 | 176.2 | 179.2 | -164.2 | 0.9 | 111 | K136 E137 E138 E142 K143 E144 | K136-R140 WeakPolarHBondContact O-CB 3.27Å; K136-R140 VanDerWaalsContact O-CG 3.27Å; K136-R140 WeakPolarHBondContact O-CG 3.38Å; K136-R140 PolarHBondContact O-N 2.98Å; E137-R140 PolarHBondContact O-N 3.43Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.85Å; R140-E142 VanDerWaalsContact C-N 3.34Å; R140-E142 PolarHBondContact O-N 3.12Å; R140-K143 PolarHBondContact O-N 3.47Å; R140-E144 VanDerWaalsContact O-CB 3.26Å; R140-E144 WeakPolarHBondContact O-CB 3.5Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 3.26Å |
| 141 | K | 76.3 | Confident | 74.1 | Confident | 107 Ų | 107 | 103 Ų | 103 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59 | -44 | 177.6 | -75 | 172.5 | -175.6 | 166.1 | 0 | 111.4 | E137 E138 E144 Q145 | E137-K141 WeakPolarHBondContact O-CG 3.5Å; E137-K141 PolarHBondContact O-N 3.42Å; E137-K141 VanDerWaalsContact OE1-CE 3.31Å; E137-K141 WeakPolarHBondContact OE1-CE 3.11Å; E137-K141 IonicContact OE1-NZ 3.96Å; E137-K141 PolarHBondContact OE1-NZ 2.94Å; E138-K141 PolarHBondContact O-N 2.66Å; E138-K141 VanDerWaalsContact O-N 3.17Å; K141-E144 PolarHBondContact O-N 3.42Å; K141-Q145 VanDerWaalsContact O-CG 3.29Å; K141-Q145 WeakPolarHBondContact O-CG 3.36Å; K141-Q145 PolarHBondContact O-N 2.96Å |
| 142 | E | 76.1 | Confident | 73.8 | Confident | 101 Ų | 101 | 106.6 Ų | 106.6 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 178.5 | -165 | -164.2 | 164.4 | 0 | 0 | 112.2 | E138 R140 E144 Q145 R146 | E138-E142 WeakPolarHBondContact O-CB 3.26Å; E138-E142 PolarHBondContact O-N 3.12Å; R140-E142 VanDerWaalsContact C-N 3.34Å; R140-E142 PolarHBondContact O-N 3.12Å; E142-E144 PolarHBondContact O-N 3.28Å; E142-Q145 PolarHBondContact O-N 3.32Å; E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.39Å; E142-R146 IonicContact OE1-CZ 3.66Å; E142-R146 IonicContact OE1-NE 3.58Å; E142-R146 PolarHBondContact OE1-NE 2.82Å; E142-R146 IonicContact OE1-NH2 2.63Å; E142-R146 PolarHBondContact OE1-NH2 3.39Å |
| 143 | K | 71.3 | Confident | 73.7 | Confident | 120 Ų | 120 | 108.6 Ų | 108.6 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -33.1 | 175.1 | -79.1 | 174 | 172.7 | 168.6 | 0 | 112.5 | E139 R140 K147 | E139-K143 HydrophobicContact CG-CD 4.3Å; E139-K143 WeakPolarHBondContact O-CB 3.29Å; E139-K143 VanDerWaalsContact O-CG 3.32Å; E139-K143 WeakPolarHBondContact O-CG 3.31Å; E139-K143 PolarHBondContact O-N 3.1Å; E139-K143 WeakPolarHBondContact OE1-CE 3.34Å; E139-K143 IonicContact OE1-NZ 2.84Å; E139-K143 PolarHBondContact OE1-NZ 3.13Å; R140-K143 PolarHBondContact O-N 3.47Å; K143-K147 PolarHBondContact O-N 3.07Å |
| 144 | E | 64.6 | Low | 73.6 | Confident | 73 Ų | 73 | 107.1 Ų | 107.1 | 34% | 0.341 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -77.3 | -36.5 | 179.2 | -74.1 | 171.5 | -166.7 | 0 | 0 | 112.6 | R140 K141 E142 K147 G148 R154 | R140-E144 VanDerWaalsContact O-CB 3.26Å; R140-E144 WeakPolarHBondContact O-CB 3.5Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 3.26Å; K141-E144 PolarHBondContact O-N 3.42Å; E142-E144 PolarHBondContact O-N 3.28Å; E144-K147 PolarHBondContact O-N 2.79Å; E144-G148 PolarHBondContact O-N 2.99Å; E144-R154 IonicContact OE2-CZ 3.84Å; E144-R154 IonicContact OE2-NH1 2.69Å; E144-R154 PolarHBondContact OE2-NH1 2.8Å |
| 145 | Q | 65.4 | Low | 74 | Confident | 145 Ų | 145 | 106.8 Ų | 106.8 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 170.5 | -71.5 | -65.6 | -6.9 | 0 | 0 | 111.1 | K141 E142 K147 G148 | K141-Q145 VanDerWaalsContact O-CG 3.29Å; K141-Q145 WeakPolarHBondContact O-CG 3.36Å; K141-Q145 PolarHBondContact O-N 2.96Å; E142-Q145 PolarHBondContact O-N 3.32Å; Q145-K147 PolarHBondContact O-N 3.16Å; Q145-G148 PolarHBondContact O-N 2.84Å; Q145-G148 VanDerWaalsContact O-N 3.1Å |
| 146 | R | 68.6 | Low | 74.4 | Confident | 198 Ų | 198 | 106.7 Ų | 106.7 | 75% | 0.747 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.8 | -25.8 | 174.9 | -71.4 | 179.8 | -174.9 | -157.7 | 3.9 | 113.6 | E142 | E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.39Å; E142-R146 IonicContact OE1-CZ 3.66Å; E142-R146 IonicContact OE1-NE 3.58Å; E142-R146 PolarHBondContact OE1-NE 2.82Å; E142-R146 IonicContact OE1-NH2 2.63Å; E142-R146 PolarHBondContact OE1-NH2 3.39Å |
| 147 | K | 67.9 | Low | 74.8 | Confident | 156 Ų | 156 | 108.7 Ų | 108.7 | 68% | 0.678 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8.1 | 178.6 | -88.2 | 178.6 | 174.4 | 175.4 | 0 | 114.1 | K143 E144 Q145 I149 | K143-K147 PolarHBondContact O-N 3.07Å; E144-K147 PolarHBondContact O-N 2.79Å; Q145-K147 PolarHBondContact O-N 3.16Å; K147-I149 HydrophobicContact CB-CD1 3.91Å; K147-I149 HydrophobicContact CB-CG1 4.06Å; K147-I149 HydrophobicContact CD-CD1 4.19Å; K147-I149 PolarHBondContact O-N 3.37Å; K147-I149 VanDerWaalsContact O-N 3.12Å |
| 148 | G | 66.4 | Low | 75.3 | Confident | 68 Ų | 68 | 107.2 Ų | 107.2 | 70% | 0.701 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 21.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E144 Q145 S150 | E144-G148 PolarHBondContact O-N 2.99Å; Q145-G148 PolarHBondContact O-N 2.84Å; Q145-G148 VanDerWaalsContact O-N 3.1Å; G148-S150 PolarHBondContact O-N 3.22Å |
| 149 | I | 66.1 | Low | 75.8 | Confident | 42 Ų | 42 | 108.2 Ų | 108.2 | 22% | 0.215 | 50% | 0.5 | C | S | . | . | trans | -82.5 | 113.9 | -178.5 | -60.3 | 166 | 0 | 0 | 0 | 108.2 | K147 E153 R154 | K147-I149 HydrophobicContact CB-CD1 3.91Å; K147-I149 HydrophobicContact CB-CG1 4.06Å; K147-I149 HydrophobicContact CD-CD1 4.19Å; K147-I149 PolarHBondContact O-N 3.37Å; K147-I149 VanDerWaalsContact O-N 3.12Å; I149-E153 HydrophobicContact CG2-CB 3.82Å; I149-R154 HydrophobicContact CG2-CG 3.81Å; I149-R154 PolarHBondContact O-NE 3.3Å; I149-R154 VanDerWaalsContact O-NE 3.12Å; I149-R154 PolarHBondContact O-NH2 2.95Å | ||
| 150 | S | 75.1 | Confident | 76.3 | Confident | 63 Ų | 63 | 114 Ų | 114 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | trans | -50.8 | 141 | 171.7 | 157.3 | 0 | 0 | 0 | 0 | 111.5 | G148 E152 E153 R154 | G148-S150 PolarHBondContact O-N 3.22Å; S150-E152 PolarHBondContact O-N 3.05Å; S150-E152 PolarHBondContact OG-N 3.37Å; S150-E153 WeakPolarHBondContact O-CB 3.22Å; S150-E153 PolarHBondContact O-N 3.32Å; S150-R154 PolarHBondContact O-N 3.03Å | ||
| 151 | E | 76.5 | Confident | 77 | Confident | 159 Ų | 159 | 110.3 Ų | 110.3 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -53.6 | -35.6 | 177.3 | -71.2 | -172.9 | 156.5 | 0 | 0 | 112.3 | E153 R154 E155 | E151-E153 VanDerWaalsContact C-N 3.33Å; E151-E153 PolarHBondContact O-N 3.49Å; E151-R154 WeakPolarHBondContact O-CB 3.35Å; E151-R154 PolarHBondContact O-N 2.84Å; E151-R154 VanDerWaalsContact O-N 3.08Å; E151-E155 PolarHBondContact O-N 2.69Å |
| 152 | E | 76.1 | Confident | 77.7 | Confident | 114 Ų | 114 | 111.3 Ų | 111.3 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -34.2 | 178.9 | -158.9 | -164.9 | 157.9 | 0 | 0 | 112.3 | S150 R154 K156 | S150-E152 PolarHBondContact O-N 3.05Å; S150-E152 PolarHBondContact OG-N 3.37Å; E152-R154 VanDerWaalsContact C-N 3.33Å; E152-K156 VanDerWaalsContact CD-NZ 3.29Å; E152-K156 WeakPolarHBondContact O-CD 3.49Å; E152-K156 VanDerWaalsContact O-CG 3.24Å; E152-K156 WeakPolarHBondContact O-CG 3.27Å; E152-K156 PolarHBondContact O-N 3.19Å; E152-K156 VanDerWaalsContact OE1-CE 3.31Å; E152-K156 WeakPolarHBondContact OE1-CE 3.4Å; E152-K156 IonicContact OE1-NZ 3.59Å; E152-K156 PolarHBondContact OE1-NZ 2.99Å; E152-K156 IonicContact OE2-NZ 3.65Å |
| 153 | E | 79.9 | Confident | 78.2 | Confident | 101 Ų | 101 | 109.1 Ų | 109.1 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72 | -29.5 | 173.7 | -70.5 | -161.8 | 156.5 | 0 | 0 | 112.2 | I149 S150 E151 K157 | I149-E153 HydrophobicContact CG2-CB 3.82Å; S150-E153 WeakPolarHBondContact O-CB 3.22Å; S150-E153 PolarHBondContact O-N 3.32Å; E151-E153 VanDerWaalsContact C-N 3.33Å; E151-E153 PolarHBondContact O-N 3.49Å; E153-K157 WeakPolarHBondContact O-CG 3.32Å; E153-K157 PolarHBondContact O-N 3.3Å |
| 154 | R | 74.9 | Confident | 79 | Confident | 69 Ų | 69 | 107.4 Ų | 107.4 | 26% | 0.26 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.2 | -49.4 | 176.1 | -59.5 | -176.8 | -167.2 | -178.4 | 12.4 | 110.3 | E144 I149 S150 E151 E152 K156 K157 D158 | E144-R154 IonicContact OE2-CZ 3.84Å; E144-R154 IonicContact OE2-NH1 2.69Å; E144-R154 PolarHBondContact OE2-NH1 2.8Å; I149-R154 HydrophobicContact CG2-CG 3.81Å; I149-R154 PolarHBondContact O-NE 3.3Å; I149-R154 VanDerWaalsContact O-NE 3.12Å; I149-R154 PolarHBondContact O-NH2 2.95Å; S150-R154 PolarHBondContact O-N 3.03Å; E151-R154 WeakPolarHBondContact O-CB 3.35Å; E151-R154 PolarHBondContact O-N 2.84Å; E151-R154 VanDerWaalsContact O-N 3.08Å; E152-R154 VanDerWaalsContact C-N 3.33Å; R154-K156 VanDerWaalsContact C-N 3.26Å; R154-K156 PolarHBondContact O-N 3.25Å; R154-K157 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-N 3.07Å; R154-D158 WeakPolarHBondContact O-CB 3.34Å; R154-D158 PolarHBondContact O-N 2.97Å |
| 155 | E | 85.3 | Confident | 80.2 | Confident | 131 Ų | 131 | 110.2 Ų | 110.2 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -38.5 | 178.7 | -164.9 | -175.3 | 176.9 | 0 | 0 | 111.1 | E151 R159 | E151-E155 PolarHBondContact O-N 2.69Å; E155-R159 WeakPolarHBondContact O-CB 3.45Å; E155-R159 PolarHBondContact O-N 2.91Å |
| 156 | K | 86.6 | Confident | 81.4 | Confident | 74 Ų | 74 | 106 Ų | 106 | 32% | 0.322 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 174.1 | -73.5 | 168.1 | -172.1 | 166.2 | 0 | 112.7 | E152 R154 R160 | E152-K156 VanDerWaalsContact CD-NZ 3.29Å; E152-K156 WeakPolarHBondContact O-CD 3.49Å; E152-K156 VanDerWaalsContact O-CG 3.24Å; E152-K156 WeakPolarHBondContact O-CG 3.27Å; E152-K156 PolarHBondContact O-N 3.19Å; E152-K156 VanDerWaalsContact OE1-CE 3.31Å; E152-K156 WeakPolarHBondContact OE1-CE 3.4Å; E152-K156 IonicContact OE1-NZ 3.59Å; E152-K156 PolarHBondContact OE1-NZ 2.99Å; E152-K156 IonicContact OE2-NZ 3.65Å; R154-K156 VanDerWaalsContact C-N 3.26Å; R154-K156 PolarHBondContact O-N 3.25Å; K156-R160 WeakPolarHBondContact O-CB 3.43Å; K156-R160 WeakPolarHBondContact O-CG 3.23Å; K156-R160 PolarHBondContact O-N 3.38Å |
| 157 | K | 84.8 | Confident | 82.5 | Confident | 113 Ų | 113 | 101 Ų | 101 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.3 | -45.2 | 177.6 | -78.2 | 173.5 | -176.7 | 166.3 | 0 | 111.5 | E153 R154 R160 L161 | E153-K157 WeakPolarHBondContact O-CG 3.32Å; E153-K157 PolarHBondContact O-N 3.3Å; R154-K157 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-N 3.07Å; K157-R160 WeakPolarHBondContact O-CB 3.47Å; K157-R160 PolarHBondContact O-N 3.31Å; K157-L161 PolarHBondContact O-N 2.93Å |
| 158 | D | 87.5 | Confident | 83.4 | Confident | 68 Ų | 68 | 98.5 Ų | 98.5 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 177.2 | -176.7 | 57.2 | 0 | 0 | 0 | 111.2 | R154 R160 L161 K162 | R154-D158 WeakPolarHBondContact O-CB 3.34Å; R154-D158 PolarHBondContact O-N 2.97Å; D158-R160 VanDerWaalsContact C-N 3.34Å; D158-R160 PolarHBondContact O-N 2.88Å; D158-L161 WeakPolarHBondContact O-CB 3.46Å; D158-L161 PolarHBondContact O-N 2.95Å; D158-L161 VanDerWaalsContact O-N 3.13Å; D158-K162 WeakPolarHBondContact O-CB 3.48Å; D158-K162 WeakPolarHBondContact O-CG 3.42Å; D158-K162 PolarHBondContact O-N 3.27Å; D158-K162 WeakPolarHBondContact OD2-CE 3.38Å; D158-K162 IonicContact OD2-NZ 2.71Å; D158-K162 PolarHBondContact OD2-NZ 2.74Å |
| 159 | R | 89.1 | Confident | 84.3 | Confident | 141 Ų | 141 | 99.5 Ų | 99.5 | 53% | 0.532 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 172.8 | -167.7 | 175.8 | 78.4 | -150.8 | 8.1 | 111.8 | E155 L161 K162 D163 | E155-R159 WeakPolarHBondContact O-CB 3.45Å; E155-R159 PolarHBondContact O-N 2.91Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 3.3Å; R159-K162 PolarHBondContact O-N 3.48Å; R159-D163 WeakPolarHBondContact O-CB 3.42Å; R159-D163 PolarHBondContact O-N 3.03Å |
| 160 | R | 88.4 | Confident | 85.2 | Confident | 176 Ų | 176 | 99.5 Ų | 99.5 | 66% | 0.664 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -37.9 | 175.4 | -74.7 | 169.6 | -173.7 | -172.7 | 4 | 112.6 | K156 K157 D158 S164 | K156-R160 WeakPolarHBondContact O-CB 3.43Å; K156-R160 WeakPolarHBondContact O-CG 3.23Å; K156-R160 PolarHBondContact O-N 3.38Å; K157-R160 WeakPolarHBondContact O-CB 3.47Å; K157-R160 PolarHBondContact O-N 3.31Å; D158-R160 VanDerWaalsContact C-N 3.34Å; D158-R160 PolarHBondContact O-N 2.88Å; R160-S164 WeakPolarHBondContact O-CB 3.46Å; R160-S164 PolarHBondContact O-N 3.43Å; R160-S164 PolarHBondContact O-OG 3.27Å |
| 161 | L | 89.3 | Confident | 85.6 | Confident | 97 Ų | 97 | 102.3 Ų | 102.3 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -50.5 | 177.6 | -174 | 67.4 | 0 | 0 | 0 | 110.3 | K157 D158 R159 D163 S164 L165 | K157-L161 PolarHBondContact O-N 2.93Å; D158-L161 WeakPolarHBondContact O-CB 3.46Å; D158-L161 PolarHBondContact O-N 2.95Å; D158-L161 VanDerWaalsContact O-N 3.13Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 3.3Å; L161-D163 VanDerWaalsContact C-N 3.29Å; L161-D163 PolarHBondContact O-N 2.94Å; L161-S164 PolarHBondContact O-N 2.83Å; L161-S164 PolarHBondContact O-OG 2.94Å; L161-L165 HydrophobicContact CD1-CD1 4.32Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 WeakPolarHBondContact O-CG 3.16Å; L161-L165 PolarHBondContact O-N 3.33Å |
| 162 | K | 91.1 | Very high | 86 | Confident | 128 Ų | 128 | 102.2 Ų | 102.2 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56 | -44 | 174.2 | -73.2 | 171.3 | 173.9 | 165.7 | 0 | 111.8 | D158 R159 S164 L165 D166 | D158-K162 WeakPolarHBondContact O-CB 3.48Å; D158-K162 WeakPolarHBondContact O-CG 3.42Å; D158-K162 PolarHBondContact O-N 3.27Å; D158-K162 WeakPolarHBondContact OD2-CE 3.38Å; D158-K162 IonicContact OD2-NZ 2.71Å; D158-K162 PolarHBondContact OD2-NZ 2.74Å; R159-K162 PolarHBondContact O-N 3.48Å; K162-S164 VanDerWaalsContact C-N 3.27Å; K162-S164 PolarHBondContact O-N 3.17Å; K162-L165 PolarHBondContact O-N 3.36Å; K162-D166 WeakPolarHBondContact O-CB 2.84Å; K162-D166 PolarHBondContact O-N 3.35Å |
| 163 | D | 87.4 | Confident | 86.3 | Confident | 55 Ų | 55 | 104 Ų | 104 | 29% | 0.294 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -32.6 | 176.7 | -73 | -12.3 | 0 | 0 | 0 | 113.4 | R159 L161 K169 | R159-D163 WeakPolarHBondContact O-CB 3.42Å; R159-D163 PolarHBondContact O-N 3.03Å; L161-D163 VanDerWaalsContact C-N 3.29Å; L161-D163 PolarHBondContact O-N 2.94Å; D163-K169 HydrophobicContact CB-CD 3.81Å; D163-K169 VanDerWaalsContact O-CD 3.24Å; D163-K169 WeakPolarHBondContact O-CD 3.37Å; D163-K169 IonicContact OD1-NZ 3.91Å; D163-K169 PolarHBondContact OD1-NZ 3.07Å; D163-K169 IonicContact OD2-NZ 3.24Å; D163-K169 PolarHBondContact OD2-NZ 3.08Å |
| 164 | S | 88.3 | Confident | 86.3 | Confident | 85 Ų | 85 | 101.4 Ų | 101.4 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -79.6 | -29.4 | 177.8 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | R160 L161 K162 | R160-S164 WeakPolarHBondContact O-CB 3.46Å; R160-S164 PolarHBondContact O-N 3.43Å; R160-S164 PolarHBondContact O-OG 3.27Å; L161-S164 PolarHBondContact O-N 2.83Å; L161-S164 PolarHBondContact O-OG 2.94Å; K162-S164 VanDerWaalsContact C-N 3.27Å; K162-S164 PolarHBondContact O-N 3.17Å |
| 165 | L | 89.7 | Confident | 86.4 | Confident | 131 Ų | 131 | 105 Ų | 105 | 69% | 0.686 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -87.8 | -7.5 | 178.3 | -65.1 | 175.1 | 0 | 0 | 0 | 112.5 | L161 K162 P167 | L161-L165 HydrophobicContact CD1-CD1 4.32Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 WeakPolarHBondContact O-CG 3.16Å; L161-L165 PolarHBondContact O-N 3.33Å; K162-L165 PolarHBondContact O-N 3.36Å; L165-P167 WeakPolarHBondContact O-CD 3.31Å |
| 166 | D | 90.8 | Very high | 85.7 | Confident | 56 Ų | 56 | 101 Ų | 101 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | trans | -75.9 | 114 | 176.1 | 176.5 | 10.6 | 0 | 0 | 0 | 111.2 | K162 L168 K169 G170 | K162-D166 WeakPolarHBondContact O-CB 2.84Å; K162-D166 PolarHBondContact O-N 3.35Å; D166-L168 PolarHBondContact O-N 3.39Å; D166-L168 WeakPolarHBondContact OD1-CB 3.42Å; D166-L168 PolarHBondContact OD1-N 3.17Å; D166-K169 HydrophobicContact CB-CB 4.32Å; D166-K169 PolarHBondContact O-N 2.96Å; D166-G170 PolarHBondContact O-N 3.4Å | ||
| 167 | P | 90.5 | Very high | 84.4 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -29.3 | 179.2 | 25.4 | -34 | 0 | 0 | 0 | 112.9 | L165 K169 G170 M171 | L165-P167 WeakPolarHBondContact O-CD 3.31Å; P167-K169 PolarHBondContact O-N 2.95Å; P167-G170 PolarHBondContact O-N 2.89Å; P167-M171 WeakPolarHBondContact O-CG 3.43Å; P167-M171 PolarHBondContact O-N 3.32Å |
| 168 | L | 87.3 | Confident | 83.1 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 178.5 | -68.3 | 170.7 | 0 | 0 | 0 | 111.8 | D166 M171 K172 | D166-L168 PolarHBondContact O-N 3.39Å; D166-L168 WeakPolarHBondContact OD1-CB 3.42Å; D166-L168 PolarHBondContact OD1-N 3.17Å; L168-M171 PolarHBondContact O-N 3.47Å; L168-K172 WeakPolarHBondContact O-CB 3.32Å; L168-K172 VanDerWaalsContact O-CG 3.27Å; L168-K172 WeakPolarHBondContact O-CG 3.34Å; L168-K172 PolarHBondContact O-N 2.94Å |
| 169 | K | 86.3 | Confident | 81.8 | Confident | 89 Ų | 89 | 102.5 Ų | 102.5 | 39% | 0.387 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 172.6 | -91.1 | 175.9 | 177 | 174 | 0 | 111.8 | D163 D166 P167 K173 | D163-K169 HydrophobicContact CB-CD 3.81Å; D163-K169 VanDerWaalsContact O-CD 3.24Å; D163-K169 WeakPolarHBondContact O-CD 3.37Å; D163-K169 IonicContact OD1-NZ 3.91Å; D163-K169 PolarHBondContact OD1-NZ 3.07Å; D163-K169 IonicContact OD2-NZ 3.24Å; D163-K169 PolarHBondContact OD2-NZ 3.08Å; D166-K169 HydrophobicContact CB-CB 4.32Å; D166-K169 PolarHBondContact O-N 2.96Å; P167-K169 PolarHBondContact O-N 2.95Å; K169-K173 WeakPolarHBondContact O-CB 3.26Å; K169-K173 PolarHBondContact O-N 2.95Å |
| 170 | G | 85.4 | Confident | 80.4 | Confident | 43 Ų | 43 | 103.3 Ų | 103.3 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D166 P167 K173 A174 | D166-G170 PolarHBondContact O-N 3.4Å; P167-G170 PolarHBondContact O-N 2.89Å; G170-K173 PolarHBondContact O-N 3.15Å; G170-A174 PolarHBondContact O-N 3.21Å |
| 171 | M | 83.6 | Confident | 78.9 | Confident | 122 Ų | 122 | 103 Ų | 103 | 60% | 0.601 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 178 | -69.8 | 175.4 | 70.1 | 0 | 0 | 112.6 | P167 L168 K173 A174 M175 | P167-M171 WeakPolarHBondContact O-CG 3.43Å; P167-M171 PolarHBondContact O-N 3.32Å; L168-M171 PolarHBondContact O-N 3.47Å; M171-K173 VanDerWaalsContact C-N 3.32Å; M171-K173 PolarHBondContact O-N 3.4Å; M171-A174 PolarHBondContact O-N 3.38Å; M171-M175 WeakPolarHBondContact O-CB 3.49Å; M171-M175 WeakPolarHBondContact O-CG 3.31Å; M171-M175 PolarHBondContact O-N 3.03Å |
| 172 | K | 83.7 | Confident | 77.5 | Confident | 157 Ų | 157 | 104.7 Ų | 104.7 | 68% | 0.683 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.6 | -39.7 | 175.9 | -77.1 | 173.5 | -178.4 | 177.3 | 0 | 112.1 | L168 G176 | L168-K172 WeakPolarHBondContact O-CB 3.32Å; L168-K172 VanDerWaalsContact O-CG 3.27Å; L168-K172 WeakPolarHBondContact O-CG 3.34Å; L168-K172 PolarHBondContact O-N 2.94Å; K172-G176 PolarHBondContact O-N 2.93Å |
| 173 | K | 82.4 | Confident | 76 | Confident | 151 Ų | 151 | 105.4 Ų | 105.4 | 66% | 0.657 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.5 | -45.9 | 175.1 | -172.9 | 179.9 | 179 | -175.4 | 0 | 111.4 | K169 G170 M171 G176 D177 | K169-K173 WeakPolarHBondContact O-CB 3.26Å; K169-K173 PolarHBondContact O-N 2.95Å; G170-K173 PolarHBondContact O-N 3.15Å; M171-K173 VanDerWaalsContact C-N 3.32Å; M171-K173 PolarHBondContact O-N 3.4Å; K173-G176 PolarHBondContact O-N 3.18Å; K173-D177 WeakPolarHBondContact O-CB 3.4Å; K173-D177 PolarHBondContact O-N 2.65Å |
| 174 | A | 80.4 | Confident | 74.7 | Confident | 46 Ų | 46 | 108.7 Ų | 108.7 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.8 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G170 M171 D177 Y178 | G170-A174 PolarHBondContact O-N 3.21Å; M171-A174 PolarHBondContact O-N 3.38Å; A174-D177 PolarHBondContact O-N 2.64Å; A174-Y178 WeakPolarHBondContact O-CD2 3.49Å; A174-Y178 WeakPolarHBondContact O-CE2 3.47Å; A174-Y178 PolarHBondContact O-N 3.41Å |
| 175 | M | 76.1 | Confident | 73.4 | Confident | 144 Ų | 144 | 110.8 Ų | 110.8 | 71% | 0.709 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.1 | -44.1 | 175.7 | -79.8 | -78.3 | -88.5 | 0 | 0 | 112.7 | M171 D177 Y178 | M171-M175 WeakPolarHBondContact O-CB 3.49Å; M171-M175 WeakPolarHBondContact O-CG 3.31Å; M171-M175 PolarHBondContact O-N 3.03Å; M175-D177 VanDerWaalsContact C-N 3.32Å; M175-D177 PolarHBondContact O-N 2.71Å; M175-Y178 PolarHBondContact O-N 2.86Å |
| 176 | G | 71.1 | Confident | 72.1 | Confident | 48 Ų | 48 | 111.4 Ų | 111.4 | 50% | 0.495 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.9 | -29.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | K172 K173 Y178 R180 | K172-G176 PolarHBondContact O-N 2.93Å; K173-G176 PolarHBondContact O-N 3.18Å; G176-Y178 VanDerWaalsContact C-N 3.35Å; G176-R180 PolarHBondContact O-N 2.99Å |
| 177 | D | 60.3 | Low | 70.6 | Confident | 81 Ų | 81 | 116.2 Ų | 116.2 | 43% | 0.433 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71 | -26.3 | 176.6 | -83.7 | -30.7 | 0 | 0 | 0 | 112.7 | K173 A174 M175 R180 R181 | K173-D177 WeakPolarHBondContact O-CB 3.4Å; K173-D177 PolarHBondContact O-N 2.65Å; A174-D177 PolarHBondContact O-N 2.64Å; M175-D177 VanDerWaalsContact C-N 3.32Å; M175-D177 PolarHBondContact O-N 2.71Å; D177-R180 PolarHBondContact O-N 3.12Å; D177-R181 WeakPolarHBondContact O-CB 3.43Å; D177-R181 PolarHBondContact O-N 3.3Å |
| 178 | Y | 57.3 | Low | 69.2 | Low | 165 Ų | 165 | 118.6 Ų | 118.6 | 65% | 0.647 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.7 | -48.5 | 174.2 | -73.4 | -78.9 | 0 | 0 | 0 | 111.9 | A174 M175 G176 R181 E182 | A174-Y178 WeakPolarHBondContact O-CD2 3.49Å; A174-Y178 WeakPolarHBondContact O-CE2 3.47Å; A174-Y178 PolarHBondContact O-N 3.41Å; M175-Y178 PolarHBondContact O-N 2.86Å; G176-Y178 VanDerWaalsContact C-N 3.35Å; Y178-R181 PolarHBondContact O-N 2.69Å; Y178-E182 PolarHBondContact O-N 3.22Å |
| 179 | G | 58.8 | Low | 67.8 | Low | 41 Ų | 41 | 120.6 Ų | 120.6 | 42% | 0.423 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.3 | -35.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q183 | G179-Q183 WeakPolarHBondContact O-CG 3.17Å; G179-Q183 PolarHBondContact O-N 3Å |
| 180 | R | 59.2 | Low | 66.5 | Low | 157 Ų | 157 | 121.3 Ų | 121.3 | 59% | 0.592 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.7 | -33.2 | 178 | -160.7 | 179.2 | -167.2 | -145.7 | 6.5 | 112.6 | G176 D177 K184 | G176-R180 PolarHBondContact O-N 2.99Å; D177-R180 PolarHBondContact O-N 3.12Å; R180-K184 WeakPolarHBondContact O-CB 3.34Å; R180-K184 WeakPolarHBondContact O-CG 3.48Å; R180-K184 PolarHBondContact O-N 2.98Å |
| 181 | R | 57.9 | Low | 65.1 | Low | 171 Ų | 171 | 126.7 Ų | 126.7 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.1 | -35.6 | 176.9 | -169.7 | 174 | -171.4 | -174.6 | 1.4 | 111.2 | D177 Y178 K184 K185 | D177-R181 WeakPolarHBondContact O-CB 3.43Å; D177-R181 PolarHBondContact O-N 3.3Å; Y178-R181 PolarHBondContact O-N 2.69Å; R181-K184 PolarHBondContact O-N 3.16Å; R181-K185 WeakPolarHBondContact O-CB 3.38Å; R181-K185 VanDerWaalsContact O-CG 3.32Å; R181-K185 WeakPolarHBondContact O-CG 3.3Å; R181-K185 PolarHBondContact O-N 3.48Å |
| 182 | E | 60.1 | Low | 63.7 | Low | 131 Ų | 131 | 124.7 Ų | 124.7 | 61% | 0.612 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.9 | -45.8 | 176.4 | -154.3 | 174.4 | -162.2 | 0 | 0 | 112.1 | Y178 K184 K185 K186 | Y178-E182 PolarHBondContact O-N 3.22Å; E182-K184 PolarHBondContact O-N 3.44Å; E182-K185 PolarHBondContact O-N 3.39Å; E182-K186 PolarHBondContact O-N 3.48Å; E182-K186 VanDerWaalsContact O-N 3.1Å |
| 183 | Q | 60.3 | Low | 62.5 | Low | 144 Ų | 144 | 128.2 Ų | 128.2 | 67% | 0.673 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.6 | -40.7 | 172.8 | -71.5 | -82.3 | -14.3 | 0 | 0 | 112.2 | G179 K187 | G179-Q183 WeakPolarHBondContact O-CG 3.17Å; G179-Q183 PolarHBondContact O-N 3Å; Q183-K187 PolarHBondContact O-N 2.96Å; Q183-K187 VanDerWaalsContact O-N 3.07Å |
| 184 | K | 59.3 | Low | 61 | Low | 124 Ų | 124 | 123.6 Ų | 123.6 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.5 | -35.1 | 175.3 | -81.2 | -175.9 | 177.6 | -177.2 | 0 | 113.1 | R180 R181 E182 K187 K188 | R180-K184 WeakPolarHBondContact O-CB 3.34Å; R180-K184 WeakPolarHBondContact O-CG 3.48Å; R180-K184 PolarHBondContact O-N 2.98Å; R181-K184 PolarHBondContact O-N 3.16Å; E182-K184 PolarHBondContact O-N 3.44Å; K184-K187 PolarHBondContact O-N 2.98Å; K184-K188 WeakPolarHBondContact O-CB 3.36Å; K184-K188 PolarHBondContact O-N 2.9Å |
| 185 | K | 61.3 | Low | 59.6 | Low | 129 Ų | 129 | 125 Ų | 125 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.3 | -47.9 | 174.3 | -80.2 | -178.2 | 178.5 | -171.6 | 0 | 110.8 | R181 E182 K187 K188 E189 | R181-K185 WeakPolarHBondContact O-CB 3.38Å; R181-K185 VanDerWaalsContact O-CG 3.32Å; R181-K185 WeakPolarHBondContact O-CG 3.3Å; R181-K185 PolarHBondContact O-N 3.48Å; E182-K185 PolarHBondContact O-N 3.39Å; K185-K187 VanDerWaalsContact C-N 3.31Å; K185-K187 PolarHBondContact O-N 3.42Å; K185-K188 PolarHBondContact O-N 3.48Å; K185-K188 VanDerWaalsContact O-N 3.1Å; K185-E189 PolarHBondContact O-N 3.46Å |
| 186 | K | 61.1 | Low | 58.3 | Low | 143 Ų | 143 | 126.6 Ų | 126.6 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.4 | -38.2 | 174.7 | -80.5 | -175.7 | 173.3 | 177.4 | 0 | 113.2 | E182 T190 | E182-K186 PolarHBondContact O-N 3.48Å; E182-K186 VanDerWaalsContact O-N 3.1Å; K186-T190 PolarHBondContact O-N 3.47Å; K186-T190 PolarHBondContact O-OG1 3.12Å |
| 187 | K | 60 | Low | 57.3 | Low | 157 Ų | 157 | 133.7 Ų | 133.7 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.3 | -27.9 | 176.3 | -164.5 | 171.6 | -176.6 | 173.9 | 0 | 113.3 | Q183 K184 K185 T190 R191 | Q183-K187 PolarHBondContact O-N 2.96Å; Q183-K187 VanDerWaalsContact O-N 3.07Å; K184-K187 PolarHBondContact O-N 2.98Å; K185-K187 VanDerWaalsContact C-N 3.31Å; K185-K187 PolarHBondContact O-N 3.42Å; K187-T190 WeakPolarHBondContact CA-OG1 3.21Å; K187-T190 PolarHBondContact O-OG1 3.3Å; K187-T190 VanDerWaalsContact O-OG1 3.12Å; K187-R191 WeakPolarHBondContact O-CB 3.23Å; K187-R191 PolarHBondContact O-N 2.83Å |
| 188 | K | 60.4 | Low | 56.9 | Low | 144 Ų | 144 | 136 Ų | 136 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77 | -41.8 | 176.3 | -169.5 | 177.9 | 177.4 | -173.8 | 0 | 111.4 | K184 K185 T190 R191 D192 | K184-K188 WeakPolarHBondContact O-CB 3.36Å; K184-K188 PolarHBondContact O-N 2.9Å; K185-K188 PolarHBondContact O-N 3.48Å; K185-K188 VanDerWaalsContact O-N 3.1Å; K188-T190 VanDerWaalsContact C-N 3.34Å; K188-T190 PolarHBondContact O-N 2.83Å; K188-R191 PolarHBondContact O-N 3.07Å; K188-R191 VanDerWaalsContact O-N 3.15Å; K188-D192 PolarHBondContact O-N 3.23Å |
| 189 | E | 58.3 | Low | 56.5 | Low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.6 | -40.7 | 175 | -91.9 | -176.7 | 148.3 | 0 | 0 | 113 | K185 R191 R193 | K185-E189 PolarHBondContact O-N 3.46Å; E189-R191 VanDerWaalsContact C-N 3.28Å; E189-R191 PolarHBondContact O-N 2.97Å; E189-R193 PolarHBondContact O-N 3.08Å |
| 190 | T | 58.4 | Low | 56.2 | Low | 103 Ų | 103 | 134.6 Ų | 134.6 | 63% | 0.632 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.1 | -29.5 | 176.3 | 42.3 | 0 | 0 | 0 | 0 | 112.6 | K186 K187 K188 | K186-T190 PolarHBondContact O-N 3.47Å; K186-T190 PolarHBondContact O-OG1 3.12Å; K187-T190 WeakPolarHBondContact CA-OG1 3.21Å; K187-T190 PolarHBondContact O-OG1 3.3Å; K187-T190 VanDerWaalsContact O-OG1 3.12Å; K188-T190 VanDerWaalsContact C-N 3.34Å; K188-T190 PolarHBondContact O-N 2.83Å |
| 191 | R | 56.4 | Low | 55.9 | Low | 156 Ų | 156 | 133 Ų | 133 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81.7 | -39.1 | 178.7 | -156.5 | 176.7 | 177.5 | 157.6 | 4.9 | 112.9 | K187 K188 E189 R193 G194 E195 | K187-R191 WeakPolarHBondContact O-CB 3.23Å; K187-R191 PolarHBondContact O-N 2.83Å; K188-R191 PolarHBondContact O-N 3.07Å; K188-R191 VanDerWaalsContact O-N 3.15Å; E189-R191 VanDerWaalsContact C-N 3.28Å; E189-R191 PolarHBondContact O-N 2.97Å; R191-R193 PolarHBondContact O-N 2.79Å; R191-G194 PolarHBondContact O-N 3.21Å; R191-E195 HydrophobicContact CG-CG 4.41Å; R191-E195 IonicContact CZ-OE1 3.54Å; R191-E195 IonicContact NE-OE1 2.74Å; R191-E195 PolarHBondContact NE-OE1 2.79Å; R191-E195 IonicContact NH2-OE1 2.69Å; R191-E195 PolarHBondContact O-N 2.81Å |
| 192 | D | 55.1 | Low | 55.7 | Low | 80 Ų | 80 | 127.4 Ų | 127.4 | 43% | 0.428 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.5 | -29.9 | 175.7 | -114.7 | -27.1 | 0 | 0 | 0 | 112.2 | K188 G194 K196 | K188-D192 PolarHBondContact O-N 3.23Å; D192-G194 VanDerWaalsContact C-N 3.3Å; D192-G194 PolarHBondContact O-N 3.49Å; D192-K196 WeakPolarHBondContact O-CG 3.37Å; D192-K196 PolarHBondContact O-N 2.91Å |
| 193 | R | 57.3 | Low | 55.9 | Low | 231 Ų | 231 | 125.7 Ų | 125.7 | 87% | 0.872 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.9 | -23.8 | 174.5 | -146.2 | 174.6 | -167.9 | 169 | 2.9 | 113 | E189 R191 | E189-R193 PolarHBondContact O-N 3.08Å; R191-R193 PolarHBondContact O-N 2.79Å |
| 194 | G | 52.3 | Low | 56.6 | Low | 54 Ų | 54 | 123.3 Ų | 123.3 | 56% | 0.557 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -92.9 | -31.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R191 D192 | R191-G194 PolarHBondContact O-N 3.21Å; D192-G194 VanDerWaalsContact C-N 3.3Å; D192-G194 PolarHBondContact O-N 3.49Å |
| 195 | E | 51.1 | Low | 57.5 | Low | 75 Ų | 75 | 122.2 Ų | 122.2 | 35% | 0.35 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -87.8 | -15.7 | -174.2 | -76.7 | 175.1 | 178.3 | 0 | 0 | 114.1 | R191 K197 I198 T199 | R191-E195 HydrophobicContact CG-CG 4.41Å; R191-E195 IonicContact CZ-OE1 3.54Å; R191-E195 IonicContact NE-OE1 2.74Å; R191-E195 PolarHBondContact NE-OE1 2.79Å; R191-E195 IonicContact NH2-OE1 2.69Å; R191-E195 PolarHBondContact O-N 2.81Å; E195-K197 PolarHBondContact O-N 3.26Å; E195-I198 PolarHBondContact O-N 3.46Å; E195-T199 PolarHBondContact O-OG1 3.14Å |
| 196 | K | 48 | Very low | 58.5 | Low | 178 Ų | 178 | 122.1 Ų | 122.1 | 77% | 0.774 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -3.2 | 175.9 | -88.1 | -175.4 | 179.2 | -174.8 | 0 | 115.9 | D192 | D192-K196 WeakPolarHBondContact O-CG 3.37Å; D192-K196 PolarHBondContact O-N 2.91Å |
| 197 | K | 50 | Low | 59.5 | Low | 198 Ų | 198 | 120 Ų | 120 | 86% | 0.861 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -8.6 | 171.9 | -74.8 | -170.4 | 175.8 | -174.4 | 0 | 115 | E195 | E195-K197 PolarHBondContact O-N 3.26Š|
| 198 | I | 52.3 | Low | 61 | Low | 128 Ų | 128 | 119.7 Ų | 119.7 | 66% | 0.656 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | -16 | -167.4 | -53.4 | -179.6 | 0 | 0 | 0 | 115.6 | E195 | E195-I198 PolarHBondContact O-N 3.46Š|
| 199 | T | 49.6 | Very low | 62.4 | Low | 104 Ų | 104 | 115 Ų | 115 | 64% | 0.638 | 59% | 0.586 | S | S | * | * | trans | -118.2 | 66.2 | -172.3 | 56 | 0 | 0 | 0 | 0 | 113.1 | E195 | E195-T199 PolarHBondContact O-OG1 3.14Š| ||
| 200 | G | 51.7 | Low | 63.9 | Low | 73 Ų | 73 | 111.9 Ų | 111.9 | 75% | 0.753 | 57% | 0.571 | S | S | * | * | trans | -102 | 1.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 201 | E | 52.1 | Low | 65.6 | Low | 123 Ų | 123 | 115.8 Ų | 115.8 | 58% | 0.575 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -144.5 | 127.1 | 179 | -66.1 | 175.9 | 171.9 | 0 | 0 | 108.9 | R206 | E201-R206 HydrophobicContact CB-CG 4.35Š|
| 202 | S | 54.3 | Low | 67.4 | Low | 54 Ų | 54 | 113.8 Ų | 113.8 | 38% | 0.378 | 58% | 0.575 | S | S | . | * | trans | -62.3 | 140.7 | -175.5 | 66.2 | 0 | 0 | 0 | 0 | 110.1 | I204 E205 R206 | S202-I204 PolarHBondContact O-N 3.15Å; S202-E205 WeakPolarHBondContact CB-OE2 3.36Å; S202-E205 PolarHBondContact N-OE2 2.79Å; S202-E205 VanDerWaalsContact N-OE2 3.08Å; S202-E205 WeakPolarHBondContact O-CB 3.46Å; S202-E205 PolarHBondContact O-N 2.93Å; S202-E205 WeakPolarHBondContact OG-CG 3.48Å; S202-E205 PolarHBondContact OG-OE2 2.84Å; S202-R206 PolarHBondContact O-N 2.99Å; S202-R206 VanDerWaalsContact O-N 3.16Å | ||
| 203 | S | 65.4 | Low | 69.2 | Low | 96 Ų | 96 | 116 Ų | 116 | 67% | 0.671 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -50.1 | -30.5 | -178.5 | -173.9 | 0 | 0 | 0 | 0 | 113.2 | L207 | S203-L207 WeakPolarHBondContact O-CG 3.2Å; S203-L207 PolarHBondContact O-N 2.8Å |
| 204 | I | 74.6 | Confident | 71 | Confident | 94 Ų | 94 | 111.7 Ų | 111.7 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -73.2 | -36.4 | 176.3 | -154.1 | 80 | 0 | 0 | 0 | 112.9 | S202 R206 L207 R208 | S202-I204 PolarHBondContact O-N 3.15Å; I204-R206 VanDerWaalsContact C-N 3.35Å; I204-L207 PolarHBondContact O-N 3.32Å; I204-R208 WeakPolarHBondContact O-CG 3.27Å; I204-R208 PolarHBondContact O-N 3.44Å |
| 205 | E | 78.1 | Confident | 73 | Confident | 100 Ų | 100 | 114.1 Ų | 114.1 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.2 | -36.2 | 176.8 | -76 | 160.8 | 167.7 | 0 | 0 | 110.9 | S202 R208 A209 | S202-E205 WeakPolarHBondContact CB-OE2 3.36Å; S202-E205 PolarHBondContact N-OE2 2.79Å; S202-E205 VanDerWaalsContact N-OE2 3.08Å; S202-E205 WeakPolarHBondContact O-CB 3.46Å; S202-E205 PolarHBondContact O-N 2.93Å; S202-E205 WeakPolarHBondContact OG-CG 3.48Å; S202-E205 PolarHBondContact OG-OE2 2.84Å; E205-R208 PolarHBondContact O-N 2.84Å; E205-A209 WeakPolarHBondContact O-CB 3.24Å; E205-A209 PolarHBondContact O-N 3.44Å |
| 206 | R | 81.6 | Confident | 75.1 | Confident | 128 Ų | 128 | 113.4 Ų | 113.4 | 48% | 0.483 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.8 | -45 | 171.8 | -70.1 | -175.3 | 177.5 | 166.1 | 1.3 | 112.1 | E201 S202 I204 R208 A209 E210 | E201-R206 HydrophobicContact CB-CG 4.35Å; S202-R206 PolarHBondContact O-N 2.99Å; S202-R206 VanDerWaalsContact O-N 3.16Å; I204-R206 VanDerWaalsContact C-N 3.35Å; R206-R208 VanDerWaalsContact C-N 3.31Å; R206-R208 PolarHBondContact O-N 2.78Å; R206-A209 PolarHBondContact O-N 2.84Å; R206-E210 VanDerWaalsContact O-CB 3.31Å; R206-E210 WeakPolarHBondContact O-CB 3.48Å; R206-E210 PolarHBondContact O-N 3.3Å |
| 207 | L | 82.5 | Confident | 77.3 | Confident | 98 Ų | 98 | 110.7 Ų | 110.7 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -33.8 | 176.3 | -68.4 | 171.7 | 0 | 0 | 0 | 112.5 | S203 I204 R211 | S203-L207 WeakPolarHBondContact O-CG 3.2Å; S203-L207 PolarHBondContact O-N 2.8Å; I204-L207 PolarHBondContact O-N 3.32Å; L207-R211 WeakPolarHBondContact O-CB 3.21Å; L207-R211 PolarHBondContact O-N 2.86Å |
| 208 | R | 90.6 | Very high | 79.4 | Confident | 150 Ų | 150 | 107.9 Ų | 107.9 | 57% | 0.566 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70 | -43 | 173.6 | -72.6 | 174.3 | -173.2 | 153.6 | 0 | 111.9 | I204 E205 R206 R211 L212 | I204-R208 WeakPolarHBondContact O-CG 3.27Å; I204-R208 PolarHBondContact O-N 3.44Å; E205-R208 PolarHBondContact O-N 2.84Å; R206-R208 VanDerWaalsContact C-N 3.31Å; R206-R208 PolarHBondContact O-N 2.78Å; R208-R211 PolarHBondContact O-N 3.43Å; R208-L212 WeakPolarHBondContact O-CB 3.34Å; R208-L212 WeakPolarHBondContact O-CG 3.31Å; R208-L212 PolarHBondContact O-N 3.43Å |
| 209 | A | 90.3 | Very high | 81.4 | Confident | 45 Ų | 45 | 110 Ų | 110 | 37% | 0.372 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E205 R206 L212 Q213 | E205-A209 WeakPolarHBondContact O-CB 3.24Å; E205-A209 PolarHBondContact O-N 3.44Å; R206-A209 PolarHBondContact O-N 2.84Å; A209-L212 PolarHBondContact O-N 3.47Å; A209-Q213 WeakPolarHBondContact O-CB 3.42Å; A209-Q213 WeakPolarHBondContact O-CG 3.41Å; A209-Q213 PolarHBondContact O-N 2.9Å |
| 210 | E | 90 | Very high | 83.5 | Confident | 81 Ų | 81 | 113.6 Ų | 113.6 | 38% | 0.379 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | 175.1 | -169.7 | -173.3 | 171.7 | 0 | 0 | 111.5 | R206 Q213 R214 | R206-E210 VanDerWaalsContact O-CB 3.31Å; R206-E210 WeakPolarHBondContact O-CB 3.48Å; R206-E210 PolarHBondContact O-N 3.3Å; E210-Q213 PolarHBondContact O-N 3.26Å; E210-R214 VanDerWaalsContact CD-NH2 3.28Å; E210-R214 WeakPolarHBondContact O-CG 3.5Å; E210-R214 PolarHBondContact O-N 3.35Å; E210-R214 IonicContact OE1-CZ 3.33Å; E210-R214 IonicContact OE1-NE 3.34Å; E210-R214 IonicContact OE1-NH2 2.65Å; E210-R214 PolarHBondContact OE1-NH2 2.92Å; E210-R214 IonicContact OE2-NH2 2.64Å |
| 211 | R | 93.5 | Very high | 85.4 | Confident | 186 Ų | 186 | 119.2 Ų | 119.2 | 70% | 0.702 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.1 | -48.4 | 173.2 | 177.8 | -176.3 | -78.8 | -171.1 | -5.6 | 111.4 | L207 R208 Q213 R214 E215 | L207-R211 WeakPolarHBondContact O-CB 3.21Å; L207-R211 PolarHBondContact O-N 2.86Å; R208-R211 PolarHBondContact O-N 3.43Å; R211-Q213 VanDerWaalsContact C-N 3.3Å; R211-Q213 PolarHBondContact O-N 3.38Å; R211-R214 PolarHBondContact O-N 3.27Å; R211-E215 WeakPolarHBondContact O-CB 3.18Å; R211-E215 PolarHBondContact O-N 3.24Å |
| 212 | L | 94.8 | Very high | 87.3 | Confident | 113 Ų | 113 | 115.8 Ų | 115.8 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.3 | -37.5 | 179 | -77.6 | 168.5 | 0 | 0 | 0 | 112 | R208 A209 E215 A216 | R208-L212 WeakPolarHBondContact O-CB 3.34Å; R208-L212 WeakPolarHBondContact O-CG 3.31Å; R208-L212 PolarHBondContact O-N 3.43Å; A209-L212 PolarHBondContact O-N 3.47Å; L212-E215 PolarHBondContact O-N 2.99Å; L212-A216 VanDerWaalsContact O-CB 3.25Å; L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 2.79Å |
| 213 | Q | 94.1 | Very high | 89.1 | Confident | 127 Ų | 127 | 118.5 Ų | 118.5 | 59% | 0.593 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.1 | -46.6 | 174.9 | -76.4 | 177.7 | -2.8 | 0 | 0 | 111.6 | A209 E210 R211 E215 A216 E217 | A209-Q213 WeakPolarHBondContact O-CB 3.42Å; A209-Q213 WeakPolarHBondContact O-CG 3.41Å; A209-Q213 PolarHBondContact O-N 2.9Å; E210-Q213 PolarHBondContact O-N 3.26Å; R211-Q213 VanDerWaalsContact C-N 3.3Å; R211-Q213 PolarHBondContact O-N 3.38Å; Q213-E215 PolarHBondContact O-N 3.38Å; Q213-A216 PolarHBondContact O-N 2.81Å; Q213-E217 WeakPolarHBondContact O-CG 3.33Å; Q213-E217 PolarHBondContact O-N 2.88Å |
| 214 | R | 94.6 | Very high | 90.3 | Very high | 141 Ų | 141 | 114.9 Ų | 114.9 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 175.9 | -69.4 | -172.2 | -144.1 | 158.3 | 2.5 | 111.9 | E210 R211 A216 E217 E218 | E210-R214 VanDerWaalsContact CD-NH2 3.28Å; E210-R214 WeakPolarHBondContact O-CG 3.5Å; E210-R214 PolarHBondContact O-N 3.35Å; E210-R214 IonicContact OE1-CZ 3.33Å; E210-R214 IonicContact OE1-NE 3.34Å; E210-R214 IonicContact OE1-NH2 2.65Å; E210-R214 PolarHBondContact OE1-NH2 2.92Å; E210-R214 IonicContact OE2-NH2 2.64Å; R211-R214 PolarHBondContact O-N 3.27Å; R214-A216 VanDerWaalsContact C-N 3.32Å; R214-A216 PolarHBondContact O-N 2.94Å; R214-E217 PolarHBondContact O-N 2.84Å; R214-E218 WeakPolarHBondContact O-CB 3.43Å; R214-E218 WeakPolarHBondContact O-CG 3.33Å; R214-E218 PolarHBondContact O-N 3.28Å |
| 215 | E | 93.3 | Very high | 90.9 | Very high | 105 Ų | 105 | 115.4 Ų | 115.4 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 177.8 | -170.1 | -177 | 161.8 | 0 | 0 | 111.3 | R211 L212 Q213 E218 R219 | R211-E215 WeakPolarHBondContact O-CB 3.18Å; R211-E215 PolarHBondContact O-N 3.24Å; L212-E215 PolarHBondContact O-N 2.99Å; Q213-E215 PolarHBondContact O-N 3.38Å; E215-E218 PolarHBondContact O-N 3.29Å; E215-R219 WeakPolarHBondContact O-CB 3.18Å; E215-R219 PolarHBondContact O-N 3.09Å |
| 216 | A | 95.9 | Very high | 91.4 | Very high | 59 Ų | 59 | 115.8 Ų | 115.8 | 49% | 0.488 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L212 Q213 R214 R219 R220 | L212-A216 VanDerWaalsContact O-CB 3.25Å; L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 2.79Å; Q213-A216 PolarHBondContact O-N 2.81Å; R214-A216 VanDerWaalsContact C-N 3.32Å; R214-A216 PolarHBondContact O-N 2.94Å; A216-R219 PolarHBondContact O-N 2.98Å; A216-R220 VanDerWaalsContact O-CB 3.3Å; A216-R220 WeakPolarHBondContact O-CB 3.3Å; A216-R220 PolarHBondContact O-N 3.03Å |
| 217 | E | 94.6 | Very high | 91.6 | Very high | 122 Ų | 122 | 111.6 Ų | 111.6 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -44.2 | 176.1 | -75.6 | -179.1 | 178 | 0 | 0 | 112.2 | Q213 R214 R220 R221 | Q213-E217 WeakPolarHBondContact O-CG 3.33Å; Q213-E217 PolarHBondContact O-N 2.88Å; R214-E217 PolarHBondContact O-N 2.84Å; E217-R220 PolarHBondContact O-N 3.49Å; E217-R221 WeakPolarHBondContact O-CB 3.4Å; E217-R221 PolarHBondContact O-N 3.41Å |
| 218 | E | 93.4 | Very high | 91.5 | Very high | 138 Ų | 138 | 112.5 Ų | 112.5 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 175.2 | -74.1 | -178.4 | 177.1 | 0 | 0 | 111.1 | R214 E215 R220 R221 A222 | R214-E218 WeakPolarHBondContact O-CB 3.43Å; R214-E218 WeakPolarHBondContact O-CG 3.33Å; R214-E218 PolarHBondContact O-N 3.28Å; E215-E218 PolarHBondContact O-N 3.29Å; E218-R220 PolarHBondContact O-N 2.87Å; E218-R221 WeakPolarHBondContact O-CB 3.26Å; E218-R221 PolarHBondContact O-N 2.85Å; E218-A222 WeakPolarHBondContact O-CB 3.35Å; E218-A222 PolarHBondContact O-N 3.34Å |
| 219 | R | 94.6 | Very high | 90.9 | Very high | 174 Ų | 174 | 116 Ų | 116 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 175.1 | -167.6 | 174.2 | -175.6 | 137.7 | -0.1 | 111.7 | E215 A216 R221 A222 Q223 | E215-R219 WeakPolarHBondContact O-CB 3.18Å; E215-R219 PolarHBondContact O-N 3.09Å; A216-R219 PolarHBondContact O-N 2.98Å; R219-R221 VanDerWaalsContact C-N 3.34Å; R219-R221 PolarHBondContact O-N 2.75Å; R219-A222 PolarHBondContact O-N 3.18Å; R219-Q223 VanDerWaalsContact O-CB 3.24Å; R219-Q223 WeakPolarHBondContact O-CB 3.34Å; R219-Q223 PolarHBondContact O-N 2.96Å |
| 220 | R | 93.8 | Very high | 90.3 | Very high | 179 Ų | 179 | 117.1 Ų | 117.1 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 173.9 | -168.8 | -176.6 | 79.1 | -177.6 | 2.6 | 111.4 | A216 E217 E218 Q223 A224 | A216-R220 VanDerWaalsContact O-CB 3.3Å; A216-R220 WeakPolarHBondContact O-CB 3.3Å; A216-R220 PolarHBondContact O-N 3.03Å; E217-R220 PolarHBondContact O-N 3.49Å; E218-R220 PolarHBondContact O-N 2.87Å; R220-Q223 PolarHBondContact O-N 3.48Å; R220-A224 VanDerWaalsContact O-CB 3.31Å; R220-A224 WeakPolarHBondContact O-CB 3.42Å; R220-A224 PolarHBondContact O-N 3.07Å |
| 221 | R | 91.8 | Very high | 89.2 | Confident | 191 Ų | 191 | 116 Ų | 116 | 72% | 0.721 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -44.7 | 177.6 | -170.9 | 176.4 | -176.6 | 160.2 | 0.3 | 111.5 | E217 E218 R219 A224 L225 | E217-R221 WeakPolarHBondContact O-CB 3.4Å; E217-R221 PolarHBondContact O-N 3.41Å; E218-R221 WeakPolarHBondContact O-CB 3.26Å; E218-R221 PolarHBondContact O-N 2.85Å; R219-R221 VanDerWaalsContact C-N 3.34Å; R219-R221 PolarHBondContact O-N 2.75Å; R221-A224 PolarHBondContact O-N 3.07Å; R221-L225 PolarHBondContact O-N 3.33Å; R221-L225 VanDerWaalsContact O-N 3.13Å |
| 222 | A | 91.8 | Very high | 87.7 | Confident | 51 Ų | 51 | 115.6 Ų | 115.6 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E218 R219 A224 L225 L226 | E218-A222 WeakPolarHBondContact O-CB 3.35Å; E218-A222 PolarHBondContact O-N 3.34Å; R219-A222 PolarHBondContact O-N 3.18Å; A222-A224 PolarHBondContact O-N 3.36Å; A222-L225 PolarHBondContact O-N 3.5Å; A222-L226 PolarHBondContact O-N 3.02Å |
| 223 | Q | 91.8 | Very high | 85.9 | Confident | 110 Ų | 110 | 116.6 Ų | 116.6 | 51% | 0.514 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 176.3 | -169.7 | 172.5 | 11.8 | 0 | 0 | 111.8 | R219 R220 L225 L226 D227 | R219-Q223 VanDerWaalsContact O-CB 3.24Å; R219-Q223 WeakPolarHBondContact O-CB 3.34Å; R219-Q223 PolarHBondContact O-N 2.96Å; R220-Q223 PolarHBondContact O-N 3.48Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.38Å; Q223-L226 CarbonylContact O-C 3.52Å; Q223-L226 WeakPolarHBondContact O-CB 3.37Å; Q223-L226 PolarHBondContact O-N 3.36Å; Q223-L226 VanDerWaalsContact O-N 3.16Å; Q223-D227 WeakPolarHBondContact O-CB 3.5Å; Q223-D227 VanDerWaalsContact O-CG 3.27Å; Q223-D227 PolarHBondContact O-N 3.4Å |
| 224 | A | 90.4 | Very high | 84.1 | Confident | 21 Ų | 21 | 120.1 Ų | 120.1 | 17% | 0.174 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -60.8 | -38.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R220 R221 A222 D227 Q228 | R220-A224 VanDerWaalsContact O-CB 3.31Å; R220-A224 WeakPolarHBondContact O-CB 3.42Å; R220-A224 PolarHBondContact O-N 3.07Å; R221-A224 PolarHBondContact O-N 3.07Å; A222-A224 PolarHBondContact O-N 3.36Å; A224-D227 PolarHBondContact O-N 3.43Å; A224-Q228 VanDerWaalsContact O-CG 3.32Å; A224-Q228 WeakPolarHBondContact O-CG 3.46Å; A224-Q228 PolarHBondContact O-N 3.32Å |
| 225 | L | 86.6 | Confident | 82.2 | Confident | 105 Ų | 105 | 123 Ų | 123 | 55% | 0.55 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.5 | -40.2 | 174.2 | -71.1 | 170.8 | 0 | 0 | 0 | 111.7 | R221 A222 Q223 Q228 R229 | R221-L225 PolarHBondContact O-N 3.33Å; R221-L225 VanDerWaalsContact O-N 3.13Å; A222-L225 PolarHBondContact O-N 3.5Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.38Å; L225-Q228 PolarHBondContact O-N 2.82Å; L225-R229 WeakPolarHBondContact O-CB 3.35Å; L225-R229 PolarHBondContact O-N 2.85Å |
| 226 | L | 89.1 | Confident | 80.4 | Confident | 108 Ų | 108 | 124.5 Ų | 124.5 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.2 | -39.1 | 173.2 | -98.3 | 147.9 | 0 | 0 | 0 | 112.3 | A222 Q223 R229 S230 | A222-L226 PolarHBondContact O-N 3.02Å; Q223-L226 CarbonylContact O-C 3.52Å; Q223-L226 WeakPolarHBondContact O-CB 3.37Å; Q223-L226 PolarHBondContact O-N 3.36Å; Q223-L226 VanDerWaalsContact O-N 3.16Å; L226-R229 PolarHBondContact O-N 2.98Å; L226-S230 VanDerWaalsContact O-CB 3.28Å; L226-S230 WeakPolarHBondContact O-CB 3.34Å; L226-S230 PolarHBondContact O-N 3.31Å; L226-S230 PolarHBondContact O-OG 2.9Å |
| 227 | D | 86.8 | Confident | 78.3 | Confident | 39 Ų | 39 | 127.3 Ų | 127.3 | 21% | 0.209 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -69.3 | -36.7 | 176.5 | -71.8 | -16.9 | 0 | 0 | 0 | 112.1 | Q223 A224 S230 G231 K232 R233 | Q223-D227 WeakPolarHBondContact O-CB 3.5Å; Q223-D227 VanDerWaalsContact O-CG 3.27Å; Q223-D227 PolarHBondContact O-N 3.4Å; A224-D227 PolarHBondContact O-N 3.43Å; D227-S230 WeakPolarHBondContact CA-OG 3.37Å; D227-S230 PolarHBondContact O-OG 3.38Å; D227-G231 PolarHBondContact O-N 2.89Å; D227-K232 PolarHBondContact O-N 3.37Å; D227-R233 HydrophobicContact CB-CG 4.18Å; D227-R233 IonicContact OD2-NE 2.85Å |
| 228 | Q | 79.3 | Confident | 76.3 | Confident | 117 Ų | 117 | 124.3 Ų | 124.3 | 55% | 0.547 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.1 | -41.1 | 171 | -76.9 | 177.5 | 1.9 | 0 | 0 | 111.6 | A224 L225 | A224-Q228 VanDerWaalsContact O-CG 3.32Å; A224-Q228 WeakPolarHBondContact O-CG 3.46Å; A224-Q228 PolarHBondContact O-N 3.32Å; L225-Q228 PolarHBondContact O-N 2.82Å |
| 229 | R | 78.9 | Confident | 74.4 | Confident | 225 Ų | 225 | 127 Ų | 127 | 85% | 0.849 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.2 | -35.7 | 178.9 | -174.5 | 174.1 | 175.9 | -137.6 | -1.4 | 112.8 | L225 L226 G231 | L225-R229 WeakPolarHBondContact O-CB 3.35Å; L225-R229 PolarHBondContact O-N 2.85Å; L226-R229 PolarHBondContact O-N 2.98Å; R229-G231 PolarHBondContact O-N 3.42Å |
| 230 | S | 76.4 | Confident | 72.7 | Confident | 68 Ų | 68 | 122.5 Ų | 122.5 | 48% | 0.476 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | 2.4 | 178.8 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | L226 D227 K232 | L226-S230 VanDerWaalsContact O-CB 3.28Å; L226-S230 WeakPolarHBondContact O-CB 3.34Å; L226-S230 PolarHBondContact O-N 3.31Å; L226-S230 PolarHBondContact O-OG 2.9Å; D227-S230 WeakPolarHBondContact CA-OG 3.37Å; D227-S230 PolarHBondContact O-OG 3.38Å; S230-K232 PolarHBondContact O-N 2.78Å; S230-K232 VanDerWaalsContact O-N 3.13Å |
| 231 | G | 67.8 | Low | 71.2 | Confident | 58 Ų | 58 | 119.4 Ų | 119.4 | 60% | 0.598 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.4 | 6.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D227 R229 R233 | D227-G231 PolarHBondContact O-N 2.89Å; R229-G231 PolarHBondContact O-N 3.42Å; G231-R233 VanDerWaalsContact C-N 3.26Å; G231-R233 PolarHBondContact O-N 2.99Å |
| 232 | K | 62.9 | Low | 69.6 | Low | 176 Ų | 176 | 118 Ų | 118 | 77% | 0.765 | 60% | 0.602 | S | S | * | * | trans | -73.6 | -14.5 | -178.6 | -79.6 | -177 | 176.2 | -179.4 | 0 | 113.7 | D227 S230 | D227-K232 PolarHBondContact O-N 3.37Å; S230-K232 PolarHBondContact O-N 2.78Å; S230-K232 VanDerWaalsContact O-N 3.13Å | ||
| 233 | R | 55.8 | Low | 68.1 | Low | 135 Ų | 135 | 126.4 Ų | 126.4 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -101.8 | 111.3 | 171.3 | -75.9 | 178.3 | 173.3 | -171.4 | -3.7 | 109.9 | D227 G231 R235 | D227-R233 HydrophobicContact CB-CG 4.18Å; D227-R233 IonicContact OD2-NE 2.85Å; G231-R233 VanDerWaalsContact C-N 3.26Å; G231-R233 PolarHBondContact O-N 2.99Å; R233-R235 PolarHBondContact O-N 2.97Å |
| 234 | K | 56.9 | Low | 66.8 | Low | 201 Ų | 201 | 125.9 Ų | 125.9 | 87% | 0.874 | 62% | 0.621 | S | S | * | * | trans | -59 | 108.7 | 165.9 | -168.1 | 166.9 | -177.4 | 176 | 0 | 107.5 | T236 | K234-T236 PolarHBondContact O-N 3.2Å; K234-T236 VanDerWaalsContact O-N 3.14Å | ||
| 235 | R | 53.7 | Low | 65.8 | Low | 200 Ų | 200 | 132.6 Ų | 132.6 | 76% | 0.755 | 64% | 0.642 | S | S | * | * | trans | -54.9 | 117.6 | 175.8 | -70.7 | 177.4 | -179.8 | -169.2 | 2.8 | 108.1 | R233 D237 | R233-R235 PolarHBondContact O-N 2.97Å; R235-D237 HydrophobicContact CB-CB 4.3Å; R235-D237 WeakPolarHBondContact CB-OD2 3.43Å; R235-D237 VanDerWaalsContact CD-OD2 3.32Å; R235-D237 WeakPolarHBondContact CD-OD2 3.35Å; R235-D237 PolarHBondContact O-N 2.93Å | ||
| 236 | T | 56.7 | Low | 65 | Low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 65% | 0.649 | S | S | * | * | trans | -84.7 | 48.2 | 163.7 | 57.5 | 0 | 0 | 0 | 0 | 108.6 | K234 G238 | K234-T236 PolarHBondContact O-N 3.2Å; K234-T236 VanDerWaalsContact O-N 3.14Å; T236-G238 VanDerWaalsContact C-N 3.34Å; T236-G238 PolarHBondContact O-N 3.43Å; T236-G238 VanDerWaalsContact O-N 3.14Å | ||
| 237 | D | 50.6 | Low | 64.1 | Low | 117 Ų | 117 | 136.2 Ų | 136.2 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | trans | -83.6 | 88.8 | 173.9 | -68.6 | -30 | 0 | 0 | 0 | 106.3 | R235 E239 | R235-D237 HydrophobicContact CB-CB 4.3Å; R235-D237 WeakPolarHBondContact CB-OD2 3.43Å; R235-D237 VanDerWaalsContact CD-OD2 3.32Å; R235-D237 WeakPolarHBondContact CD-OD2 3.35Å; R235-D237 PolarHBondContact O-N 2.93Å; D237-E239 PolarHBondContact O-N 2.94Å | ||
| 238 | G | 54.2 | Low | 63.5 | Low | 60 Ų | 60 | 141.4 Ų | 141.4 | 62% | 0.619 | 68% | 0.684 | S | S | * | * | trans | -59.8 | 124.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | T236 V240 | T236-G238 VanDerWaalsContact C-N 3.34Å; T236-G238 PolarHBondContact O-N 3.43Å; T236-G238 VanDerWaalsContact O-N 3.14Å; G238-V240 PolarHBondContact O-N 3.42Å | ||
| 239 | E | 53.1 | Low | 63.5 | Low | 194 Ų | 194 | 138.8 Ų | 138.8 | 91% | 0.907 | 67% | 0.673 | S | S | * | * | trans | -52 | 104.7 | -180 | -69.7 | 177.2 | 155.6 | 0 | 0 | 110.1 | D237 N241 | D237-E239 PolarHBondContact O-N 2.94Å; E239-N241 PolarHBondContact O-N 3.11Å | ||
| 240 | V | 59.1 | Low | 63.5 | Low | 80 Ų | 80 | 132.1 Ų | 132.1 | 49% | 0.485 | 67% | 0.667 | S | S | . | * | trans | -72.7 | 103.5 | 174.1 | -169.7 | 0 | 0 | 0 | 0 | 106.6 | G238 E244 R245 | G238-V240 PolarHBondContact O-N 3.42Å; V240-E244 HydrophobicContact CG1-CB 3.83Å; V240-R245 PolarHBondContact O-NE 3.37Å | ||
| 241 | N | 61.8 | Low | 63.3 | Low | 114 Ų | 114 | 137.5 Ų | 137.5 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | trans | -47.8 | 137.5 | -178.9 | -146.6 | -38.8 | 0 | 0 | 0 | 109.8 | E239 R243 E244 | E239-N241 PolarHBondContact O-N 3.11Å; N241-R243 PolarHBondContact O-N 3.11Å; N241-E244 HydrophobicContact CB-CG 4.29Å; N241-E244 WeakPolarHBondContact O-CB 3.32Å; N241-E244 PolarHBondContact O-N 2.86Å | ||
| 242 | E | 57.7 | Low | 63.4 | Low | 160 Ų | 160 | 141.4 Ų | 141.4 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -52.3 | -29.7 | -172.7 | -102.1 | 172 | -179.3 | 0 | 0 | 113.4 | E244 R245 | E242-E244 VanDerWaalsContact C-N 3.26Å; E242-E244 PolarHBondContact O-N 3.06Å; E242-R245 PolarHBondContact O-N 2.98Å |
| 243 | R | 61 | Low | 64.1 | Low | 229 Ų | 229 | 136 Ų | 136 | 86% | 0.864 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -72.7 | -12.2 | 177.8 | -127.7 | 163 | -172.7 | -167.7 | 0.4 | 115.4 | N241 | N241-R243 PolarHBondContact O-N 3.11Š|
| 244 | E | 64.1 | Low | 64.7 | Low | 99 Ų | 99 | 136 Ų | 136 | 46% | 0.463 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -101.6 | -5 | 179.2 | -57.9 | -171.5 | 174.6 | 0 | 0 | 112.7 | V240 N241 E242 P246 R261 | V240-E244 HydrophobicContact CG1-CB 3.83Å; N241-E244 HydrophobicContact CB-CG 4.29Å; N241-E244 WeakPolarHBondContact O-CB 3.32Å; N241-E244 PolarHBondContact O-N 2.86Å; E242-E244 VanDerWaalsContact C-N 3.26Å; E242-E244 PolarHBondContact O-N 3.06Å; E244-P246 WeakPolarHBondContact O-CD 3.46Å; E244-R261 IonicContact OE1-CZ 3.91Å; E244-R261 IonicContact OE1-NH2 2.66Å; E244-R261 PolarHBondContact OE1-NH2 3.47Å; E244-R261 IonicContact OE2-NH2 3.86Å; E244-R261 PolarHBondContact OE2-NH2 2.9Å |
| 245 | R | 70.2 | Confident | 65.2 | Low | 162 Ų | 162 | 132.2 Ų | 132.2 | 61% | 0.611 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -77.3 | 121.7 | 178.8 | -62.8 | -178.2 | 179.2 | -153.6 | -0.1 | 109.1 | V240 E242 | V240-R245 PolarHBondContact O-NE 3.37Å; E242-R245 PolarHBondContact O-N 2.98Å |
| 246 | P | 69.8 | Low | 65.9 | Low | 110 Ų | 110 | 124 Ų | 124 | 71% | 0.714 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 137.7 | 179.4 | 24.8 | -31.1 | 0 | 0 | 0 | 110.7 | E244 N248 | E244-P246 WeakPolarHBondContact O-CD 3.46Å; P246-N248 PolarHBondContact O-N 2.92Å |
| 247 | Y | 69.1 | Low | 66.3 | Low | 178 Ų | 178 | 126.2 Ų | 126.2 | 70% | 0.698 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 124.1 | 176.5 | -170.8 | -110.6 | 0 | 0 | 0 | 110.2 | N249 A256 | Y247-N249 WeakPolarHBondContact CD1-OD1 3.27Å; Y247-N249 WeakPolarHBondContact CE1-OD1 3.37Å; Y247-N249 PolarHBondContact O-N 3.48Å; Y247-A256 WeakPolarHBondContact O-CB 3.29Å |
| 248 | N | 75.4 | Confident | 66.8 | Low | 149 Ų | 149 | 128.5 Ų | 128.5 | 80% | 0.797 | 63% | 0.632 | S | S | * | * | trans | -87.3 | 99 | -176 | -169.4 | 2.7 | 0 | 0 | 0 | 110.8 | P246 | P246-N248 PolarHBondContact O-N 2.92Š| ||
| 249 | N | 77.6 | Confident | 67.1 | Low | 61 Ų | 61 | 135.9 Ų | 135.9 | 33% | 0.326 | 64% | 0.641 | S | S | . | * | trans | -97.7 | 113 | 175.9 | -86.2 | -29.9 | 0 | 0 | 0 | 111.5 | Y247 F251 A256 | Y247-N249 WeakPolarHBondContact CD1-OD1 3.27Å; Y247-N249 WeakPolarHBondContact CE1-OD1 3.37Å; Y247-N249 PolarHBondContact O-N 3.48Å; N249-F251 VanDerWaalsContact C-N 3.31Å; N249-F251 PolarHBondContact O-N 3.04Å; N249-A256 HydrophobicContact CB-CB 4.41Å | ||
| 250 | A | 78.8 | Confident | 67.4 | Low | 86 Ų | 86 | 134.6 Ų | 134.6 | 71% | 0.711 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -66.6 | -29.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 251 | F | 73.3 | Confident | 67.3 | Low | 181 Ų | 181 | 137.3 Ų | 137.3 | 79% | 0.794 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -93.6 | -19.8 | -173.7 | -64.4 | -80.8 | 0 | 0 | 0 | 113.8 | N249 | N249-F251 VanDerWaalsContact C-N 3.31Å; N249-F251 PolarHBondContact O-N 3.04Å |
| 252 | F | 69.8 | Low | 67 | Low | 139 Ų | 139 | 141.9 Ų | 141.9 | 61% | 0.61 | 65% | 0.645 | S | S | * | * | trans | -141.9 | 74.4 | -179.1 | -63.3 | -76.6 | 0 | 0 | 0 | 111.4 | E254 L255 | F252-E254 VanDerWaalsContact C-N 3.25Å; F252-E254 PolarHBondContact O-N 3.25Å; F252-L255 HydrophobicContact CB-CB 4.39Å; F252-L255 HydrophobicContact CB-CD1 3.93Å; F252-L255 HydrophobicContact CG-CD1 4.35Å; F252-L255 PolarHBondContact O-N 3.19Å | ||
| 253 | P | 76.7 | Confident | 67 | Low | 64 Ų | 64 | 139.6 Ų | 139.6 | 42% | 0.416 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.5 | -26 | -176.1 | 24.7 | -33.7 | 0 | 0 | 0 | 113.4 | L255 A256 R257 | P253-L255 VanDerWaalsContact C-N 3.33Å; P253-L255 PolarHBondContact O-N 3.34Å; P253-A256 PolarHBondContact O-N 3.49Å; P253-R257 VanDerWaalsContact O-CG 3.25Å; P253-R257 WeakPolarHBondContact O-CG 3.5Å; P253-R257 PolarHBondContact O-N 3.46Å; P253-R257 VanDerWaalsContact O-N 3.16Å |
| 254 | E | 70.1 | Confident | 66.8 | Low | 134 Ų | 134 | 137 Ų | 137 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.6 | -34.4 | 177.5 | -68.6 | -58.3 | 134.4 | 0 | 0 | 112.8 | F252 R257 | F252-E254 VanDerWaalsContact C-N 3.25Å; F252-E254 PolarHBondContact O-N 3.25Å; E254-R257 IonicContact OE1-NH1 2.65Å |
| 255 | L | 67 | Low | 66.4 | Low | 121 Ų | 121 | 137.6 Ų | 137.6 | 63% | 0.634 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.9 | -38.9 | 176 | -88.7 | 147.9 | 0 | 0 | 0 | 111.7 | F252 P253 R257 K258 | F252-L255 HydrophobicContact CB-CB 4.39Å; F252-L255 HydrophobicContact CB-CD1 3.93Å; F252-L255 HydrophobicContact CG-CD1 4.35Å; F252-L255 PolarHBondContact O-N 3.19Å; P253-L255 VanDerWaalsContact C-N 3.33Å; P253-L255 PolarHBondContact O-N 3.34Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 2.95Å; L255-K258 PolarHBondContact O-N 3.32Å |
| 256 | A | 67 | Low | 65.9 | Low | 27 Ų | 27 | 132.6 Ų | 132.6 | 22% | 0.223 | 62% | 0.621 | C | S | . | * | H | α-helix | trans | -67.1 | -26.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y247 N249 P253 | Y247-A256 WeakPolarHBondContact O-CB 3.29Å; N249-A256 HydrophobicContact CB-CB 4.41Å; P253-A256 PolarHBondContact O-N 3.49Å |
| 257 | R | 65.5 | Low | 65.3 | Low | 185 Ų | 185 | 136 Ų | 136 | 70% | 0.698 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -86.9 | -17.7 | -178.5 | -72.1 | 171.3 | 179.7 | 179.4 | -0.7 | 114.1 | P253 E254 L255 R259 | P253-R257 VanDerWaalsContact O-CG 3.25Å; P253-R257 WeakPolarHBondContact O-CG 3.5Å; P253-R257 PolarHBondContact O-N 3.46Å; P253-R257 VanDerWaalsContact O-N 3.16Å; E254-R257 IonicContact OE1-NH1 2.65Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 2.95Å; R257-R259 PolarHBondContact O-N 2.98Å; R257-R259 VanDerWaalsContact O-N 3.08Å |
| 258 | K | 61.3 | Low | 64.7 | Low | 165 Ų | 165 | 135.7 Ų | 135.7 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -68.9 | 107.6 | 176.2 | -86.1 | -176.6 | 176.1 | -177.9 | 0 | 109.6 | L255 Q260 | L255-K258 PolarHBondContact O-N 3.32Å; K258-Q260 PolarHBondContact O-N 2.86Å |
| 259 | R | 60.8 | Low | 63.9 | Low | 216 Ų | 216 | 133.5 Ų | 133.5 | 82% | 0.815 | 61% | 0.606 | S | S | * | * | trans | -62 | 101.6 | 174.7 | -75.3 | 177.4 | 172.5 | -106.3 | -0 | 109.7 | R257 R261 R262 | R257-R259 PolarHBondContact O-N 2.98Å; R257-R259 VanDerWaalsContact O-N 3.08Å; R259-R261 PolarHBondContact O-N 2.71Å; R259-R262 PolarHBondContact O-N 3.01Å | ||
| 260 | Q | 59.4 | Low | 63.2 | Low | 166 Ų | 166 | 137 Ų | 137 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -10.6 | 173.4 | -79.6 | -122.7 | -35.1 | 0 | 0 | 114.9 | K258 R262 | K258-Q260 PolarHBondContact O-N 2.86Å; Q260-R262 VanDerWaalsContact C-N 3.32Å; Q260-R262 PolarHBondContact O-N 3.45Å |
| 261 | R | 57.2 | Low | 62.4 | Low | 138 Ų | 138 | 138.3 Ų | 138.3 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.7 | -32.4 | 177.8 | -76.8 | -148.8 | 174.2 | -162.6 | 4.1 | 113.6 | E244 R259 D263 R264 E265 | E244-R261 IonicContact OE1-CZ 3.91Å; E244-R261 IonicContact OE1-NH2 2.66Å; E244-R261 PolarHBondContact OE1-NH2 3.47Å; E244-R261 IonicContact OE2-NH2 3.86Å; E244-R261 PolarHBondContact OE2-NH2 2.9Å; R259-R261 PolarHBondContact O-N 2.71Å; R261-D263 VanDerWaalsContact C-N 3.3Å; R261-D263 PolarHBondContact O-N 2.83Å; R261-R264 PolarHBondContact O-N 3.37Å; R261-E265 PolarHBondContact O-N 3.02Å |
| 262 | R | 55.8 | Low | 61.7 | Low | 209 Ų | 209 | 136.7 Ų | 136.7 | 79% | 0.789 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.2 | -30.5 | -172.4 | -157.5 | 165.8 | -173.2 | 167.8 | 0.3 | 113.1 | R259 Q260 S266 | R259-R262 PolarHBondContact O-N 3.01Å; Q260-R262 VanDerWaalsContact C-N 3.32Å; Q260-R262 PolarHBondContact O-N 3.45Å; R262-S266 PolarHBondContact O-OG 3.37Å |
| 263 | D | 56.9 | Low | 61.2 | Low | 113 Ų | 113 | 138.7 Ų | 138.7 | 60% | 0.604 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -84.2 | -17.1 | -179.5 | -56.3 | -30.7 | 0 | 0 | 0 | 112.6 | R261 S266 W267 | R261-D263 VanDerWaalsContact C-N 3.3Å; R261-D263 PolarHBondContact O-N 2.83Å; D263-S266 WeakPolarHBondContact CA-OG 3.37Å; D263-S266 PolarHBondContact O-OG 3.42Å; D263-W267 PolarHBondContact O-N 3.34Å |
| 264 | R | 56.6 | Low | 59.8 | Low | 174 Ų | 174 | 143.8 Ų | 143.8 | 66% | 0.657 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86.7 | -28.3 | -176.7 | -143.5 | 179.7 | -176.5 | -154.8 | -3.2 | 112.7 | R261 R268 | R261-R264 PolarHBondContact O-N 3.37Å; R264-R268 WeakPolarHBondContact O-CG 3.31Å |
| 265 | E | 57.3 | Low | 59.3 | Low | 112 Ų | 112 | 144.3 Ų | 144.3 | 52% | 0.523 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -80.4 | -37.7 | 173.7 | -72.8 | 159 | -171.9 | 0 | 0 | 110.8 | R261 W267 R268 D269 | R261-E265 PolarHBondContact O-N 3.02Å; E265-W267 PolarHBondContact O-N 3.21Å; E265-R268 PolarHBondContact O-N 2.82Å; E265-D269 PolarHBondContact O-N 2.88Å |
| 266 | S | 59.3 | Low | 58.9 | Low | 56 Ų | 56 | 145.5 Ų | 145.5 | 39% | 0.392 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -63.7 | -39.1 | 176.4 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | R262 D263 R268 D269 E270 | R262-S266 PolarHBondContact O-OG 3.37Å; D263-S266 WeakPolarHBondContact CA-OG 3.37Å; D263-S266 PolarHBondContact O-OG 3.42Å; S266-R268 VanDerWaalsContact C-N 3.33Å; S266-R268 PolarHBondContact O-N 2.91Å; S266-D269 PolarHBondContact O-N 3.39Å; S266-E270 PolarHBondContact O-N 3.28Å |
| 267 | W | 56.9 | Low | 58.4 | Low | 181 Ų | 181 | 152.1 Ų | 152.1 | 69% | 0.686 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -68.2 | -30.1 | 177.2 | -117.2 | 55.6 | 0 | 0 | 0 | 113.5 | D263 E265 I271 | D263-W267 PolarHBondContact O-N 3.34Å; E265-W267 PolarHBondContact O-N 3.21Å; W267-I271 HydrophobicContact CE3-CD1 4Å; W267-I271 HydrophobicContact CZ3-CD1 4.38Å; W267-I271 WeakPolarHBondContact O-CD1 3.33Å; W267-I271 WeakPolarHBondContact O-CG1 3.38Å; W267-I271 PolarHBondContact O-N 2.94Å |
| 268 | R | 56.1 | Low | 58 | Low | 172 Ų | 172 | 150.2 Ų | 150.2 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.8 | -38.8 | 176.8 | -76.4 | 179.7 | 171.5 | -159.3 | -4.4 | 111.7 | R264 E265 S266 E270 L272 | R264-R268 WeakPolarHBondContact O-CG 3.31Å; E265-R268 PolarHBondContact O-N 2.82Å; S266-R268 VanDerWaalsContact C-N 3.33Å; S266-R268 PolarHBondContact O-N 2.91Å; R268-E270 VanDerWaalsContact C-N 3.33Å; R268-L272 PolarHBondContact O-N 2.99Å |
| 269 | D | 59.4 | Low | 57.8 | Low | 104 Ų | 104 | 149.3 Ų | 149.3 | 56% | 0.556 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.4 | -24.1 | -179.8 | -70.3 | -15.8 | 0 | 0 | 0 | 113.2 | E265 S266 | E265-D269 PolarHBondContact O-N 2.88Å; S266-D269 PolarHBondContact O-N 3.39Å |
| 270 | E | 63 | Low | 57.6 | Low | 133 Ų | 133 | 144.8 Ų | 144.8 | 62% | 0.621 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.5 | -38.7 | 174.6 | -107.8 | 173 | 174.2 | 0 | 0 | 112.8 | S266 R268 L272 K273 | S266-E270 PolarHBondContact O-N 3.28Å; R268-E270 VanDerWaalsContact C-N 3.33Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.13Å; E270-K273 PolarHBondContact O-N 2.87Å |
| 271 | I | 61.4 | Low | 57.5 | Low | 114 Ų | 114 | 143.3 Ų | 143.3 | 59% | 0.585 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.5 | -29.9 | 180 | -64.6 | 166.7 | 0 | 0 | 0 | 111.6 | W267 K273 | W267-I271 HydrophobicContact CE3-CD1 4Å; W267-I271 HydrophobicContact CZ3-CD1 4.38Å; W267-I271 WeakPolarHBondContact O-CD1 3.33Å; W267-I271 WeakPolarHBondContact O-CG1 3.38Å; W267-I271 PolarHBondContact O-N 2.94Å; I271-K273 PolarHBondContact O-N 3.17Å |
| 272 | L | 58.6 | Low | 57.5 | Low | 147 Ų | 147 | 143.7 Ų | 143.7 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -4.4 | 175.9 | -82.1 | 157 | 0 | 0 | 0 | 113.9 | R268 E270 | R268-L272 PolarHBondContact O-N 2.99Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.13Å |
| 273 | K | 58.4 | Low | 57.6 | Low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 0.8 | 179.5 | -92 | 175.3 | 178 | 168.1 | 0 | 114.3 | E270 I271 | E270-K273 PolarHBondContact O-N 2.87Å; I271-K273 PolarHBondContact O-N 3.17Å |
| 274 | S | 47.8 | Very low | 57.7 | Low | 172 Ų | 172 | 140.5 Ų | 140.5 | 100% | 1.203 | 68% | 0.675 | S | S | * | * | trans | -100.7 | 0 | 172.7 | -63.7 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 274 of 274 residues in 50 ms
(Link to these results)