| 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 | 49 | Very low | 65.8 | Low | 224 Ų | 224 | 129 Ų | 129 | 100% | 1.103 | 64% | 0.644 | S | S | * | * | 0 | 67.1 | 0 | -171.6 | 173 | -178.6 | 0 | 0 | 107.9 | |||||
| 2 | Y | 58.4 | Low | 67.1 | Low | 208 Ų | 208 | 126.7 Ų | 126.7 | 82% | 0.816 | 63% | 0.634 | S | S | * | * | trans | -141.5 | 16 | -163.4 | -71.5 | -66.5 | 0 | 0 | 0 | 114.1 | ||||
| 3 | T | 62.4 | Low | 68.5 | Low | 120 Ų | 120 | 125.2 Ų | 125.2 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -103.4 | -15.1 | -168.4 | 43.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 4 | L | 58.4 | Low | 70 | Confident | 156 Ų | 156 | 125.1 Ų | 125.1 | 82% | 0.817 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -79 | -44 | 176.5 | -100.5 | 74.7 | 0 | 0 | 0 | 112.4 | K6 M7 G8 | L4-K6 PolarHBondContact O-N 3.41Å; L4-M7 PolarHBondContact O-N 3.44Å; L4-G8 PolarHBondContact O-N 3.41Å |
| 5 | D | 63.2 | Low | 71.4 | Confident | 122 Ų | 122 | 123.6 Ų | 123.6 | 65% | 0.652 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61 | -44.6 | -172.4 | -155.1 | 45.9 | 0 | 0 | 0 | 111.9 | M7 G8 D9 | D5-M7 VanDerWaalsContact C-N 3.28Å; D5-M7 PolarHBondContact O-N 3.14Å; D5-G8 WeakPolarHBondContact O-CA 3.26Å; D5-G8 PolarHBondContact O-N 3.22Å; D5-G8 VanDerWaalsContact O-N 3.08Å; D5-D9 PolarHBondContact O-N 2.99Å |
| 6 | K | 62.9 | Low | 72.7 | Confident | 116 Ų | 116 | 120.9 Ų | 120.9 | 50% | 0.504 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61 | -32.3 | 178 | -69.2 | -71.7 | 146 | -130.3 | 0 | 113.8 | L4 D9 E10 | L4-K6 PolarHBondContact O-N 3.41Å; K6-D9 IonicContact NZ-OD2 3.13Å; K6-D9 PolarHBondContact NZ-OD2 3.13Å; K6-D9 PolarHBondContact O-N 3.06Å; K6-E10 WeakPolarHBondContact O-CG 3.37Å; K6-E10 PolarHBondContact O-N 3.38Å |
| 7 | M | 62.2 | Low | 73.6 | Confident | 142 Ų | 142 | 116.9 Ų | 116.9 | 70% | 0.7 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76 | -30.6 | 178.1 | -162 | 159 | -165.6 | 0 | 0 | 111.8 | L4 D5 E11 | L4-M7 PolarHBondContact O-N 3.44Å; D5-M7 VanDerWaalsContact C-N 3.28Å; D5-M7 PolarHBondContact O-N 3.14Å; M7-E11 WeakPolarHBondContact O-CB 3.32Å; M7-E11 PolarHBondContact O-N 3.29Å; M7-E11 VanDerWaalsContact O-N 3.13Å |
| 8 | G | 73.9 | Confident | 74.7 | Confident | 31 Ų | 31 | 115.9 Ų | 115.9 | 32% | 0.32 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.7 | -48.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L4 D5 E10 E11 I12 | L4-G8 PolarHBondContact O-N 3.41Å; D5-G8 WeakPolarHBondContact O-CA 3.26Å; D5-G8 PolarHBondContact O-N 3.22Å; D5-G8 VanDerWaalsContact O-N 3.08Å; G8-E10 PolarHBondContact O-N 3.37Å; G8-E11 PolarHBondContact O-N 3.36Å; G8-I12 WeakPolarHBondContact O-CB 3.4Å; G8-I12 WeakPolarHBondContact O-CD1 3.46Å; G8-I12 WeakPolarHBondContact O-CG1 3.33Å; G8-I12 PolarHBondContact O-N 3.46Å |
| 9 | D | 76.2 | Confident | 75.6 | Confident | 56 Ų | 56 | 114.3 Ų | 114.3 | 30% | 0.299 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -54.2 | -49.2 | 176.1 | -70.8 | -27.3 | 0 | 0 | 0 | 111.7 | D5 K6 I12 N13 | D5-D9 PolarHBondContact O-N 2.99Å; K6-D9 IonicContact NZ-OD2 3.13Å; K6-D9 PolarHBondContact NZ-OD2 3.13Å; K6-D9 PolarHBondContact O-N 3.06Å; D9-I12 PolarHBondContact O-N 3.4Å; D9-N13 WeakPolarHBondContact O-CB 3.44Å; D9-N13 PolarHBondContact O-N 3.16Å; D9-N13 PolarHBondContact O-ND2 3.16Å |
| 10 | E | 78.2 | Confident | 76.3 | Confident | 138 Ų | 138 | 115.6 Ų | 115.6 | 65% | 0.645 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.6 | -40.9 | -178.9 | -74.7 | 177 | -163.7 | 0 | 0 | 112.4 | K6 G8 N13 L14 | K6-E10 WeakPolarHBondContact O-CG 3.37Å; K6-E10 PolarHBondContact O-N 3.38Å; G8-E10 PolarHBondContact O-N 3.37Å; E10-N13 PolarHBondContact O-N 3.41Å; E10-L14 WeakPolarHBondContact O-CB 3.47Å; E10-L14 PolarHBondContact O-N 3.5Å |
| 11 | E | 78.9 | Confident | 77 | Confident | 106 Ų | 106 | 112.4 Ų | 112.4 | 50% | 0.495 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -38.7 | 176.4 | -165 | -171.2 | 154.5 | 0 | 0 | 112 | M7 G8 L14 K15 | M7-E11 WeakPolarHBondContact O-CB 3.32Å; M7-E11 PolarHBondContact O-N 3.29Å; M7-E11 VanDerWaalsContact O-N 3.13Å; G8-E11 PolarHBondContact O-N 3.36Å; E11-L14 PolarHBondContact O-N 2.93Å; E11-K15 HydrophobicContact CG-CD 4.47Å; E11-K15 WeakPolarHBondContact O-CB 3.46Å; E11-K15 VanDerWaalsContact O-CG 3.31Å; E11-K15 WeakPolarHBondContact O-CG 3.4Å; E11-K15 PolarHBondContact O-N 3.37Å; E11-K15 WeakPolarHBondContact OE1-CE 3.46Å; E11-K15 IonicContact OE1-NZ 2.82Å; E11-K15 PolarHBondContact OE1-NZ 2.96Å |
| 12 | I | 81.7 | Confident | 79 | Confident | 101 Ų | 101 | 104.3 Ų | 104.3 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -48 | 175.2 | -69.3 | 165.2 | 0 | 0 | 0 | 110.2 | G8 D9 L14 K15 E16 | G8-I12 WeakPolarHBondContact O-CB 3.4Å; G8-I12 WeakPolarHBondContact O-CD1 3.46Å; G8-I12 WeakPolarHBondContact O-CG1 3.33Å; G8-I12 PolarHBondContact O-N 3.46Å; D9-I12 PolarHBondContact O-N 3.4Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.28Å; I12-K15 PolarHBondContact O-N 2.99Å; I12-E16 WeakPolarHBondContact O-CB 3.23Å; I12-E16 WeakPolarHBondContact O-CG 3.33Å; I12-E16 PolarHBondContact O-N 3.03Å |
| 13 | N | 85.2 | Confident | 80.6 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -37.6 | 177.1 | -77.5 | -61.4 | 0 | 0 | 0 | 112.3 | D9 E10 A17 | D9-N13 WeakPolarHBondContact O-CB 3.44Å; D9-N13 PolarHBondContact O-N 3.16Å; D9-N13 PolarHBondContact O-ND2 3.16Å; E10-N13 PolarHBondContact O-N 3.41Å; N13-A17 WeakPolarHBondContact O-CB 3.48Å; N13-A17 PolarHBondContact O-N 3.38Å |
| 14 | L | 90 | Very high | 82 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.6 | -41.7 | 175.9 | -177.9 | 61 | 0 | 0 | 0 | 112.3 | E10 E11 I12 A17 L18 | E10-L14 WeakPolarHBondContact O-CB 3.47Å; E10-L14 PolarHBondContact O-N 3.5Å; E11-L14 PolarHBondContact O-N 2.93Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.28Å; L14-A17 PolarHBondContact O-N 3.46Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 PolarHBondContact O-N 2.8Å |
| 15 | K | 91.1 | Very high | 83.6 | Confident | 102 Ų | 102 | 99.6 Ų | 99.6 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -46 | 174 | -76.3 | 168.1 | -177.4 | 165 | 0 | 111.4 | E11 I12 L18 I19 | E11-K15 HydrophobicContact CG-CD 4.47Å; E11-K15 WeakPolarHBondContact O-CB 3.46Å; E11-K15 VanDerWaalsContact O-CG 3.31Å; E11-K15 WeakPolarHBondContact O-CG 3.4Å; E11-K15 PolarHBondContact O-N 3.37Å; E11-K15 WeakPolarHBondContact OE1-CE 3.46Å; E11-K15 IonicContact OE1-NZ 2.82Å; E11-K15 PolarHBondContact OE1-NZ 2.96Å; I12-K15 PolarHBondContact O-N 2.99Å; K15-L18 PolarHBondContact O-N 3.32Å; K15-I19 VanDerWaalsContact O-CG1 3.26Å; K15-I19 WeakPolarHBondContact O-CG1 3.31Å; K15-I19 PolarHBondContact O-N 3.29Å |
| 16 | E | 90.7 | Very high | 84.9 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 38% | 0.379 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.8 | -85 | -66.1 | 134.5 | 0 | 0 | 112.8 | I12 I19 R20 | I12-E16 WeakPolarHBondContact O-CB 3.23Å; I12-E16 WeakPolarHBondContact O-CG 3.33Å; I12-E16 PolarHBondContact O-N 3.03Å; E16-I19 PolarHBondContact O-N 3.28Å; E16-R20 VanDerWaalsContact O-CG 3.32Å; E16-R20 WeakPolarHBondContact O-CG 3.31Å; E16-R20 PolarHBondContact O-N 3.48Å; E16-R20 PolarHBondContact O-NE 2.88Å; E16-R20 IonicContact OE2-CZ 3.51Å; E16-R20 IonicContact OE2-NE 2.71Å; E16-R20 IonicContact OE2-NH2 3.68Å; E16-R20 PolarHBondContact OE2-NH2 3.34Å |
| 17 | A | 89.6 | Confident | 86.4 | Confident | 53 Ų | 53 | 93.5 Ų | 93.5 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N13 L14 R20 S21 | N13-A17 WeakPolarHBondContact O-CB 3.48Å; N13-A17 PolarHBondContact O-N 3.38Å; L14-A17 PolarHBondContact O-N 3.46Å; A17-R20 PolarHBondContact O-N 2.92Å; A17-S21 WeakPolarHBondContact O-CB 3.5Å; A17-S21 PolarHBondContact O-N 3.16Å |
| 18 | L | 92.5 | Very high | 87.7 | Confident | 99 Ų | 99 | 89.2 Ų | 89.2 | 52% | 0.518 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 176 | -177.7 | 66 | 0 | 0 | 0 | 111.9 | L14 K15 R20 S21 L22 | L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 PolarHBondContact O-N 2.8Å; K15-L18 PolarHBondContact O-N 3.32Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.41Å; L18-S21 PolarHBondContact O-N 2.78Å; L18-L22 HydrophobicContact CD1-CD1 4.06Å; L18-L22 HydrophobicContact CD1-CG 4.1Å; L18-L22 HydrophobicContact CG-CD1 3.89Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.16Å |
| 19 | I | 91.3 | Very high | 88.6 | Confident | 84 Ų | 84 | 90.8 Ų | 90.8 | 43% | 0.431 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 176.9 | -71.5 | 164 | 0 | 0 | 0 | 110.5 | K15 E16 N23 L28 | K15-I19 VanDerWaalsContact O-CG1 3.26Å; K15-I19 WeakPolarHBondContact O-CG1 3.31Å; K15-I19 PolarHBondContact O-N 3.29Å; E16-I19 PolarHBondContact O-N 3.28Å; I19-N23 VanDerWaalsContact O-CB 3.26Å; I19-N23 WeakPolarHBondContact O-CB 3.42Å; I19-N23 PolarHBondContact O-N 3.24Å; I19-L28 HydrophobicContact CG2-CD2 4.25Å |
| 20 | R | 90.5 | Very high | 89.4 | Confident | 141 Ų | 141 | 94.5 Ų | 94.5 | 53% | 0.532 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 176.4 | -69.2 | 171 | -144.6 | -179.4 | 5.2 | 111.6 | E16 A17 L18 L22 N23 E24 | E16-R20 VanDerWaalsContact O-CG 3.32Å; E16-R20 WeakPolarHBondContact O-CG 3.31Å; E16-R20 PolarHBondContact O-N 3.48Å; E16-R20 PolarHBondContact O-NE 2.88Å; E16-R20 IonicContact OE2-CZ 3.51Å; E16-R20 IonicContact OE2-NE 2.71Å; E16-R20 IonicContact OE2-NH2 3.68Å; E16-R20 PolarHBondContact OE2-NH2 3.34Å; A17-R20 PolarHBondContact O-N 2.92Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.41Å; R20-L22 PolarHBondContact O-N 3.34Å; R20-N23 PolarHBondContact O-N 2.82Å; R20-N23 VanDerWaalsContact O-N 3.12Å; R20-E24 WeakPolarHBondContact O-CB 3.48Å; R20-E24 WeakPolarHBondContact O-CG 3.28Å; R20-E24 PolarHBondContact O-N 3.42Å |
| 21 | S | 91.1 | Very high | 90.3 | Very high | 49 Ų | 49 | 92.9 Ų | 92.9 | 34% | 0.343 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | A17 L18 N23 E24 E25 | A17-S21 WeakPolarHBondContact O-CB 3.5Å; A17-S21 PolarHBondContact O-N 3.16Å; L18-S21 PolarHBondContact O-N 2.78Å; S21-N23 VanDerWaalsContact C-N 3.26Å; S21-N23 PolarHBondContact O-N 2.91Å; S21-E24 PolarHBondContact O-N 2.66Å; S21-E25 WeakPolarHBondContact O-CG 3.44Å; S21-E25 PolarHBondContact O-N 2.9Å |
| 22 | L | 91.5 | Very high | 90.9 | Very high | 53 Ų | 53 | 92.1 Ų | 92.1 | 28% | 0.277 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.9 | -26.2 | 177.1 | -69.3 | 175.6 | 0 | 0 | 0 | 113.3 | L18 R20 G26 I27 L28 | L18-L22 HydrophobicContact CD1-CD1 4.06Å; L18-L22 HydrophobicContact CD1-CG 4.1Å; L18-L22 HydrophobicContact CG-CD1 3.89Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.16Å; R20-L22 PolarHBondContact O-N 3.34Å; L22-G26 PolarHBondContact O-N 2.99Å; L22-I27 HydrophobicContact CD2-CB 4.21Å; L22-I27 HydrophobicContact CD2-CD1 4.02Å; L22-I27 HydrophobicContact CD2-CG2 4.18Å; L22-I27 PolarHBondContact O-N 3.24Å; L22-L28 HydrophobicContact CB-CB 4.26Å; L22-L28 PolarHBondContact O-N 3.16Å |
| 23 | N | 91.4 | Very high | 91.5 | Very high | 89 Ų | 89 | 90 Ų | 90 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -79.9 | -39.6 | 174.8 | -169.5 | 58.6 | 0 | 0 | 0 | 111.9 | I19 R20 S21 G26 L28 | I19-N23 VanDerWaalsContact O-CB 3.26Å; I19-N23 WeakPolarHBondContact O-CB 3.42Å; I19-N23 PolarHBondContact O-N 3.24Å; R20-N23 PolarHBondContact O-N 2.82Å; R20-N23 VanDerWaalsContact O-N 3.12Å; S21-N23 VanDerWaalsContact C-N 3.26Å; S21-N23 PolarHBondContact O-N 2.91Å; N23-G26 PolarHBondContact O-N 2.76Å; N23-G26 VanDerWaalsContact O-N 3.08Å; N23-L28 HydrophobicContact CB-CB 4.49Å; N23-L28 HydrophobicContact CB-CD2 4.24Å |
| 24 | E | 91.1 | Very high | 92 | Very high | 162 Ų | 162 | 90.2 Ų | 90.2 | 76% | 0.757 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.8 | -39.6 | 174.2 | -74.3 | 172 | -163.3 | 0 | 0 | 112.2 | R20 S21 G26 | R20-E24 WeakPolarHBondContact O-CB 3.48Å; R20-E24 WeakPolarHBondContact O-CG 3.28Å; R20-E24 PolarHBondContact O-N 3.42Å; S21-E24 PolarHBondContact O-N 2.66Å; E24-G26 PolarHBondContact O-N 3.24Å |
| 25 | E | 91.5 | Very high | 92.3 | Very high | 134 Ų | 134 | 89.4 Ų | 89.4 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -5.4 | 171.7 | -68.9 | -172.4 | 179.6 | 0 | 0 | 113.5 | S21 I27 | S21-E25 WeakPolarHBondContact O-CG 3.44Å; S21-E25 PolarHBondContact O-N 2.9Å; E25-I27 HydrophobicContact CB-CD1 4.09Å; E25-I27 HydrophobicContact CB-CG1 4.01Å; E25-I27 PolarHBondContact O-N 3.16Å; E25-I27 WeakPolarHBondContact OE2-CD1 3.11Å |
| 26 | G | 90.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 90.9 Ų | 90.9 | 35% | 0.351 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 9.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L22 N23 E24 K30 | L22-G26 PolarHBondContact O-N 2.99Å; N23-G26 PolarHBondContact O-N 2.76Å; N23-G26 VanDerWaalsContact O-N 3.08Å; E24-G26 PolarHBondContact O-N 3.24Å; G26-K30 WeakPolarHBondContact O-CB 3.44Å; G26-K30 PolarHBondContact O-N 3.23Å |
| 27 | I | 94.6 | Very high | 92.6 | Very high | 77 Ų | 77 | 89.9 Ų | 89.9 | 40% | 0.395 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.9 | -43.7 | 179.2 | -62.3 | 177.1 | 0 | 0 | 0 | 110.7 | L22 E25 K30 L31 | L22-I27 HydrophobicContact CD2-CB 4.21Å; L22-I27 HydrophobicContact CD2-CD1 4.02Å; L22-I27 HydrophobicContact CD2-CG2 4.18Å; L22-I27 PolarHBondContact O-N 3.24Å; E25-I27 HydrophobicContact CB-CD1 4.09Å; E25-I27 HydrophobicContact CB-CG1 4.01Å; E25-I27 PolarHBondContact O-N 3.16Å; E25-I27 WeakPolarHBondContact OE2-CD1 3.11Å; I27-K30 WeakPolarHBondContact O-CB 3.33Å; I27-K30 PolarHBondContact O-N 2.82Å; I27-L31 PolarHBondContact O-N 2.96Å |
| 28 | L | 89.9 | Confident | 92.7 | Very high | 52 Ų | 52 | 90 Ų | 90 | 27% | 0.272 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -49.6 | -177.9 | -177.4 | 70.6 | 0 | 0 | 0 | 112.3 | I19 L22 N23 K30 L31 E32 | I19-L28 HydrophobicContact CG2-CD2 4.25Å; L22-L28 HydrophobicContact CB-CB 4.26Å; L22-L28 PolarHBondContact O-N 3.16Å; N23-L28 HydrophobicContact CB-CB 4.49Å; N23-L28 HydrophobicContact CB-CD2 4.24Å; L28-K30 VanDerWaalsContact C-N 3.27Å; L28-K30 PolarHBondContact O-N 2.89Å; L28-L31 PolarHBondContact O-N 2.95Å; L28-E32 PolarHBondContact O-N 3.05Å |
| 29 | P | 92.7 | Very high | 92.6 | Very high | 63 Ų | 63 | 88.9 Ų | 88.9 | 41% | 0.409 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.2 | -35 | 172.5 | -26.4 | 34.7 | 0 | 0 | 0 | 114.1 | A33 | P29-A33 WeakPolarHBondContact O-CB 3.21Å; P29-A33 PolarHBondContact O-N 3.3Å |
| 30 | K | 94.6 | Very high | 92.4 | Very high | 135 Ų | 135 | 92.3 Ų | 92.3 | 59% | 0.587 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.5 | -42.9 | 177.3 | -176 | 179.8 | 179.3 | -178.3 | 0 | 111.7 | G26 I27 L28 A33 Q34 | G26-K30 WeakPolarHBondContact O-CB 3.44Å; G26-K30 PolarHBondContact O-N 3.23Å; I27-K30 WeakPolarHBondContact O-CB 3.33Å; I27-K30 PolarHBondContact O-N 2.82Å; L28-K30 VanDerWaalsContact C-N 3.27Å; L28-K30 PolarHBondContact O-N 2.89Å; K30-A33 PolarHBondContact O-N 3.25Å; K30-Q34 WeakPolarHBondContact O-CB 3.45Å; K30-Q34 VanDerWaalsContact O-CG 3.29Å; K30-Q34 WeakPolarHBondContact O-CG 3.31Å; K30-Q34 PolarHBondContact O-N 3.15Å |
| 31 | L | 95.4 | Very high | 92.2 | Very high | 103 Ų | 103 | 89.5 Ų | 89.5 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 175.8 | -177.7 | 61.8 | 0 | 0 | 0 | 111.2 | I27 L28 Q34 L35 | I27-L31 PolarHBondContact O-N 2.96Å; L28-L31 PolarHBondContact O-N 2.95Å; L31-Q34 PolarHBondContact O-N 3.09Å; L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 PolarHBondContact O-N 2.97Å |
| 32 | E | 93.1 | Very high | 91.8 | Very high | 91 Ų | 91 | 89.8 Ų | 89.8 | 43% | 0.425 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 172.1 | -80.4 | -166.1 | -156.9 | 0 | 0 | 112.4 | L28 Q34 L35 K36 | L28-E32 PolarHBondContact O-N 3.05Å; E32-Q34 VanDerWaalsContact C-N 3.32Å; E32-Q34 PolarHBondContact O-N 2.93Å; E32-L35 PolarHBondContact O-N 3.09Å; E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 WeakPolarHBondContact O-CD 3.39Å; E32-K36 VanDerWaalsContact O-CG 3.23Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å; E32-K36 PolarHBondContact O-N 3.16Å; E32-K36 IonicContact OE2-NZ 3.24Å; E32-K36 PolarHBondContact OE2-NZ 3.42Å |
| 33 | A | 94.3 | Very high | 91.4 | Very high | 57 Ų | 57 | 91.9 Ų | 91.9 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P29 K30 A37 | P29-A33 WeakPolarHBondContact O-CB 3.21Å; P29-A33 PolarHBondContact O-N 3.3Å; K30-A33 PolarHBondContact O-N 3.25Å; A33-A37 VanDerWaalsContact O-CB 3.29Å; A33-A37 WeakPolarHBondContact O-CB 3.41Å; A33-A37 PolarHBondContact O-N 3.29Å |
| 34 | Q | 95.1 | Very high | 90.5 | Very high | 110 Ų | 110 | 90.9 Ų | 90.9 | 51% | 0.514 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 173.8 | -75.3 | 177.1 | -22.4 | 0 | 0 | 112.2 | K30 L31 E32 A37 A38 | K30-Q34 WeakPolarHBondContact O-CB 3.45Å; K30-Q34 VanDerWaalsContact O-CG 3.29Å; K30-Q34 WeakPolarHBondContact O-CG 3.31Å; K30-Q34 PolarHBondContact O-N 3.15Å; L31-Q34 PolarHBondContact O-N 3.09Å; E32-Q34 VanDerWaalsContact C-N 3.32Å; E32-Q34 PolarHBondContact O-N 2.93Å; Q34-A37 PolarHBondContact O-N 2.94Å; Q34-A38 VanDerWaalsContact O-CB 3.23Å; Q34-A38 WeakPolarHBondContact O-CB 3.25Å; Q34-A38 PolarHBondContact O-N 3.34Å |
| 35 | L | 96.8 | Very high | 89.5 | Confident | 109 Ų | 109 | 89.4 Ų | 89.4 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | 176.6 | -177.4 | 62.3 | 0 | 0 | 0 | 111.3 | L31 E32 A37 A38 V39 | L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 PolarHBondContact O-N 2.97Å; E32-L35 PolarHBondContact O-N 3.09Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.35Å; L35-A38 PolarHBondContact O-N 3.28Å; L35-V39 HydrophobicContact CD1-CG2 4.24Å; L35-V39 HydrophobicContact CG-CG2 4.46Å; L35-V39 WeakPolarHBondContact O-CB 3.37Å; L35-V39 VanDerWaalsContact O-CG2 3.31Å; L35-V39 WeakPolarHBondContact O-CG2 3.37Å; L35-V39 PolarHBondContact O-N 3.16Å |
| 36 | K | 94.3 | Very high | 88.1 | Confident | 133 Ų | 133 | 87.6 Ų | 87.6 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58 | -44.6 | 174.6 | -73.7 | 161.5 | 178.4 | 163.6 | 0 | 111.1 | E32 Y40 | E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 WeakPolarHBondContact O-CD 3.39Å; E32-K36 VanDerWaalsContact O-CG 3.23Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å; E32-K36 PolarHBondContact O-N 3.16Å; E32-K36 IonicContact OE2-NZ 3.24Å; E32-K36 PolarHBondContact OE2-NZ 3.42Å; K36-Y40 WeakPolarHBondContact O-CB 3.38Å; K36-Y40 PolarHBondContact O-N 2.72Å |
| 37 | A | 92.1 | Very high | 86.4 | Confident | 59 Ų | 59 | 88.4 Ų | 88.4 | 49% | 0.488 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A33 Q34 L35 Y40 L41 | A33-A37 VanDerWaalsContact O-CB 3.29Å; A33-A37 WeakPolarHBondContact O-CB 3.41Å; A33-A37 PolarHBondContact O-N 3.29Å; Q34-A37 PolarHBondContact O-N 2.94Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.35Å; A37-Y40 PolarHBondContact O-N 3.22Å; A37-L41 VanDerWaalsContact O-CB 3.32Å; A37-L41 WeakPolarHBondContact O-CB 3.46Å; A37-L41 PolarHBondContact O-N 3.02Å |
| 38 | A | 92 | Very high | 84.4 | Confident | 56 Ų | 56 | 93 Ų | 93 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q34 L35 L41 A42 | Q34-A38 VanDerWaalsContact O-CB 3.23Å; Q34-A38 WeakPolarHBondContact O-CB 3.25Å; Q34-A38 PolarHBondContact O-N 3.34Å; L35-A38 PolarHBondContact O-N 3.28Å; A38-L41 PolarHBondContact O-N 3.15Å; A38-A42 WeakPolarHBondContact O-CB 3.24Å; A38-A42 PolarHBondContact O-N 3.03Å |
| 39 | V | 90.2 | Very high | 82.6 | Confident | 75 Ų | 75 | 94.4 Ų | 94.4 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 172.5 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | L35 L41 A42 L43 | L35-V39 HydrophobicContact CD1-CG2 4.24Å; L35-V39 HydrophobicContact CG-CG2 4.46Å; L35-V39 WeakPolarHBondContact O-CB 3.37Å; L35-V39 VanDerWaalsContact O-CG2 3.31Å; L35-V39 WeakPolarHBondContact O-CG2 3.37Å; L35-V39 PolarHBondContact O-N 3.16Å; V39-L41 PolarHBondContact O-N 2.77Å; V39-A42 PolarHBondContact O-N 3.02Å; V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.4Å; V39-L43 WeakPolarHBondContact O-CG 3.35Å; V39-L43 PolarHBondContact O-N 3.03Å |
| 40 | Y | 87.9 | Confident | 80.6 | Confident | 157 Ų | 157 | 97.7 Ų | 97.7 | 62% | 0.616 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.2 | -46.8 | 174.4 | -177.4 | -85.4 | 0 | 0 | 0 | 111.6 | K36 A37 A42 L43 E44 | K36-Y40 WeakPolarHBondContact O-CB 3.38Å; K36-Y40 PolarHBondContact O-N 2.72Å; A37-Y40 PolarHBondContact O-N 3.22Å; Y40-A42 VanDerWaalsContact C-N 3.32Å; Y40-A42 PolarHBondContact O-N 3.26Å; Y40-L43 PolarHBondContact O-N 2.92Å; Y40-E44 HydrophobicContact CE1-CB 4.44Å; Y40-E44 VanDerWaalsContact O-CB 3.31Å; Y40-E44 WeakPolarHBondContact O-CB 3.43Å; Y40-E44 PolarHBondContact O-N 3.41Å |
| 41 | L | 86.1 | Confident | 78.4 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -33.3 | 177.3 | -178.4 | 62.7 | 0 | 0 | 0 | 112.5 | A37 A38 V39 K45 | A37-L41 VanDerWaalsContact O-CB 3.32Å; A37-L41 WeakPolarHBondContact O-CB 3.46Å; A37-L41 PolarHBondContact O-N 3.02Å; A38-L41 PolarHBondContact O-N 3.15Å; V39-L41 PolarHBondContact O-N 2.77Å; L41-K45 HydrophobicContact CD1-CG 4.45Å; L41-K45 HydrophobicContact CG-CD 4.34Å; L41-K45 VanDerWaalsContact O-CB 3.3Å; L41-K45 WeakPolarHBondContact O-CB 3.29Å; L41-K45 VanDerWaalsContact O-CG 3.24Å; L41-K45 WeakPolarHBondContact O-CG 3.45Å; L41-K45 PolarHBondContact O-N 3.46Å |
| 42 | A | 83.7 | Confident | 76.1 | Confident | 56 Ų | 56 | 93.5 Ų | 93.5 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A38 V39 Y40 K45 H46 | A38-A42 WeakPolarHBondContact O-CB 3.24Å; A38-A42 PolarHBondContact O-N 3.03Å; V39-A42 PolarHBondContact O-N 3.02Å; Y40-A42 VanDerWaalsContact C-N 3.32Å; Y40-A42 PolarHBondContact O-N 3.26Å; A42-K45 PolarHBondContact O-N 3.05Å; A42-H46 WeakPolarHBondContact O-CB 3.13Å; A42-H46 PolarHBondContact O-N 3.47Å |
| 43 | L | 82.4 | Confident | 74.2 | Confident | 97 Ų | 97 | 93.9 Ų | 93.9 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 173.8 | -70.7 | 172.3 | 0 | 0 | 0 | 111.8 | V39 Y40 H46 N47 | V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.4Å; V39-L43 WeakPolarHBondContact O-CG 3.35Å; V39-L43 PolarHBondContact O-N 3.03Å; Y40-L43 PolarHBondContact O-N 2.92Å; L43-H46 PolarHBondContact O-N 2.84Å; L43-N47 VanDerWaalsContact O-CB 3.26Å; L43-N47 WeakPolarHBondContact O-CB 3.46Å; L43-N47 PolarHBondContact O-N 2.87Å; L43-N47 PolarHBondContact O-ND2 3.48Å; L43-N47 PolarHBondContact O-OD1 3.41Å |
| 44 | E | 73.3 | Confident | 72.3 | Confident | 68 Ų | 68 | 96 Ų | 96 | 32% | 0.318 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -50.5 | 173.7 | 179.3 | 169.7 | -151.2 | 0 | 0 | 110.6 | Y40 H46 N47 Y48 | Y40-E44 HydrophobicContact CE1-CB 4.44Å; Y40-E44 VanDerWaalsContact O-CB 3.31Å; Y40-E44 WeakPolarHBondContact O-CB 3.43Å; Y40-E44 PolarHBondContact O-N 3.41Å; E44-H46 VanDerWaalsContact C-N 3.32Å; E44-H46 PolarHBondContact O-N 3.44Å; E44-N47 PolarHBondContact O-N 2.99Å; E44-Y48 HydrophobicContact CG-CD2 3.9Å; E44-Y48 HydrophobicContact CG-CE2 3.42Å; E44-Y48 VanDerWaalsContact CG-CE2 3.42Å; E44-Y48 WeakPolarHBondContact O-CD2 3.31Å; E44-Y48 PolarHBondContact O-N 2.92Å |
| 45 | K | 69.4 | Low | 70.4 | Confident | 131 Ų | 131 | 92.8 Ų | 92.8 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -37.6 | 173.9 | -75.8 | 175.6 | 178.8 | -178.4 | 0 | 113.1 | L41 A42 Y48 A49 | L41-K45 HydrophobicContact CD1-CG 4.45Å; L41-K45 HydrophobicContact CG-CD 4.34Å; L41-K45 VanDerWaalsContact O-CB 3.3Å; L41-K45 WeakPolarHBondContact O-CB 3.29Å; L41-K45 VanDerWaalsContact O-CG 3.24Å; L41-K45 WeakPolarHBondContact O-CG 3.45Å; L41-K45 PolarHBondContact O-N 3.46Å; A42-K45 PolarHBondContact O-N 3.05Å; K45-Y48 CarbonylContact O-C 3.48Å; K45-Y48 PolarHBondContact O-N 2.99Å; K45-A49 WeakPolarHBondContact O-CB 3.25Å; K45-A49 PolarHBondContact O-N 3.3Å |
| 46 | H | 61.7 | Low | 68.9 | Low | 95 Ų | 95 | 91 Ų | 91 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.8 | -38.9 | 180 | -166.7 | -84.1 | 0 | 0 | 0 | 111.3 | A42 L43 E44 Y48 A49 E50 | A42-H46 WeakPolarHBondContact O-CB 3.13Å; A42-H46 PolarHBondContact O-N 3.47Å; L43-H46 PolarHBondContact O-N 2.84Å; E44-H46 VanDerWaalsContact C-N 3.32Å; E44-H46 PolarHBondContact O-N 3.44Å; H46-Y48 PolarHBondContact O-N 3.27Å; H46-A49 PolarHBondContact O-N 2.89Å; H46-A49 VanDerWaalsContact O-N 3.09Å; H46-E50 IonicContact NE2-OE1 2.64Å; H46-E50 IonicContact NE2-OE2 2.62Å; H46-E50 PolarHBondContact NE2-OE2 3.05Å; H46-E50 PolarHBondContact O-N 3.42Å |
| 47 | N | 55.5 | Low | 67.9 | Low | 52 Ų | 52 | 91.7 Ų | 91.7 | 28% | 0.278 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -32.3 | 169.8 | -67 | -15.8 | 0 | 0 | 0 | 111.4 | L43 E44 L54 | L43-N47 VanDerWaalsContact O-CB 3.26Å; L43-N47 WeakPolarHBondContact O-CB 3.46Å; L43-N47 PolarHBondContact O-N 2.87Å; L43-N47 PolarHBondContact O-ND2 3.48Å; L43-N47 PolarHBondContact O-OD1 3.41Å; E44-N47 PolarHBondContact O-N 2.99Å; N47-L54 HydrophobicContact CB-CD1 3.97Å |
| 48 | Y | 52.4 | Low | 67.4 | Low | 173 Ų | 173 | 93 Ų | 93 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -80 | -19 | 171.6 | -67.8 | -50.5 | 0 | 0 | 0 | 114.8 | E44 K45 H46 | E44-Y48 HydrophobicContact CG-CD2 3.9Å; E44-Y48 HydrophobicContact CG-CE2 3.42Å; E44-Y48 VanDerWaalsContact CG-CE2 3.42Å; E44-Y48 WeakPolarHBondContact O-CD2 3.31Å; E44-Y48 PolarHBondContact O-N 2.92Å; K45-Y48 CarbonylContact O-C 3.48Å; K45-Y48 PolarHBondContact O-N 2.99Å; H46-Y48 PolarHBondContact O-N 3.27Å |
| 49 | A | 51.8 | Low | 67.1 | Low | 82 Ų | 82 | 91.8 Ų | 91.8 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -108.6 | -33.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K45 H46 | K45-A49 WeakPolarHBondContact O-CB 3.25Å; K45-A49 PolarHBondContact O-N 3.3Å; H46-A49 PolarHBondContact O-N 2.89Å; H46-A49 VanDerWaalsContact O-N 3.09Å |
| 50 | E | 50.6 | Low | 66.7 | Low | 132 Ų | 132 | 94.1 Ų | 94.1 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -100.4 | 30.6 | 176.8 | -68.9 | -151.6 | 175.6 | 0 | 0 | 113 | H46 I52 | H46-E50 IonicContact NE2-OE1 2.64Å; H46-E50 IonicContact NE2-OE2 2.62Å; H46-E50 PolarHBondContact NE2-OE2 3.05Å; H46-E50 PolarHBondContact O-N 3.42Å; E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 2.89Å |
| 51 | G | 48 | Very low | 66.6 | Low | 60 Ų | 60 | 90.1 Ų | 90.1 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | trans | 68.1 | 17 | 155 | 0 | 0 | 0 | 0 | 0 | 117 | P53 | G51-P53 WeakPolarHBondContact O-CD 3.3Å; G51-P53 VanDerWaalsContact O-N 3.16Å | ||
| 52 | I | 47.1 | Very low | 66.8 | Low | 89 Ų | 89 | 89.4 Ų | 89.4 | 46% | 0.456 | 49% | 0.488 | S | S | . | . | trans | -64.5 | 110.5 | 160.2 | -60.2 | 174.4 | 0 | 0 | 0 | 106 | E50 L54 | E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 2.89Å; I52-L54 HydrophobicContact CG2-CG 4.33Å; I52-L54 PolarHBondContact O-N 3.49Å | ||
| 53 | P | 53.2 | Low | 67 | Low | 99 Ų | 99 | 87.8 Ų | 87.8 | 64% | 0.643 | 47% | 0.47 | S | S | * | . | trans | -81.4 | 71.1 | -170.4 | 3.3 | 14.6 | 0 | 0 | 0 | 110.2 | G51 S55 | G51-P53 WeakPolarHBondContact O-CD 3.3Å; G51-P53 VanDerWaalsContact O-N 3.16Å; P53-S55 WeakPolarHBondContact CB-O 3.24Å; P53-S55 CarbonylContact O-C 3.34Å; P53-S55 PolarHBondContact O-N 2.83Å; P53-S55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | L | 54.7 | Low | 67.2 | Low | 103 Ų | 103 | 88 Ų | 88 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -62.1 | -8.8 | 163.3 | -72 | 169.5 | 0 | 0 | 0 | 111.5 | N47 I52 Q96 | N47-L54 HydrophobicContact CB-CD1 3.97Å; I52-L54 HydrophobicContact CG2-CG 4.33Å; I52-L54 PolarHBondContact O-N 3.49Å; L54-Q96 PolarHBondContact O-NE2 3.42Å |
| 55 | S | 55.6 | Low | 68.1 | Low | 41 Ų | 41 | 87.9 Ų | 87.9 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -107.5 | 111.4 | 151.8 | 58.3 | 0 | 0 | 0 | 0 | 110 | P53 Q57 | P53-S55 WeakPolarHBondContact CB-O 3.24Å; P53-S55 CarbonylContact O-C 3.34Å; P53-S55 PolarHBondContact O-N 2.83Å; P53-S55 VanDerWaalsContact O-N 3.12Å; S55-Q57 PolarHBondContact O-N 3.05Å |
| 56 | N | 63.9 | Low | 69.1 | Low | 71 Ų | 71 | 88.7 Ų | 88.7 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | trans | -69.1 | 88.5 | 161 | -177.1 | -27.6 | 0 | 0 | 0 | 106.8 | S58 I59 R60 | N56-S58 PolarHBondContact O-N 2.72Å; N56-S58 PolarHBondContact OD1-OG 3.16Å; N56-I59 HydrophobicContact CB-CB 3.96Å; N56-I59 HydrophobicContact CB-CG2 3.82Å; N56-I59 WeakPolarHBondContact O-CA 3.4Å; N56-I59 WeakPolarHBondContact O-CG2 3.46Å; N56-I59 PolarHBondContact O-N 3.39Å; N56-I59 PolarHBondContact OD1-N 3.02Å; N56-R60 PolarHBondContact O-N 2.67Å | ||
| 57 | Q | 74.5 | Confident | 70.5 | Confident | 149 Ų | 149 | 89.7 Ų | 89.7 | 70% | 0.696 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.4 | -38.4 | -172.7 | -68 | -171.5 | 5.4 | 0 | 0 | 111.6 | S55 I59 R60 S61 | S55-Q57 PolarHBondContact O-N 3.05Å; Q57-I59 VanDerWaalsContact C-N 3.33Å; Q57-I59 PolarHBondContact O-N 3.22Å; Q57-R60 PolarHBondContact O-N 2.96Å; Q57-R60 VanDerWaalsContact O-N 3.16Å; Q57-S61 PolarHBondContact O-N 3.17Å; Q57-S61 PolarHBondContact O-OG 3.06Å |
| 58 | S | 81.9 | Confident | 72.2 | Confident | 85 Ų | 85 | 87.2 Ų | 87.2 | 59% | 0.594 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -56.1 | -41.1 | 171.4 | 24.9 | 0 | 0 | 0 | 0 | 113.3 | N56 S61 L62 | N56-S58 PolarHBondContact O-N 2.72Å; N56-S58 PolarHBondContact OD1-OG 3.16Å; S58-S61 WeakPolarHBondContact CA-OG 3.23Å; S58-S61 PolarHBondContact O-OG 3.38Å; S58-L62 WeakPolarHBondContact O-CB 3.14Å; S58-L62 PolarHBondContact O-N 3.17Å |
| 59 | I | 84.3 | Confident | 74.1 | Confident | 31 Ų | 31 | 81.1 Ų | 81.1 | 16% | 0.159 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -70.7 | -36.5 | 176.3 | -130 | 172.3 | 0 | 0 | 0 | 111.7 | N56 Q57 L62 W63 A95 | N56-I59 HydrophobicContact CB-CB 3.96Å; N56-I59 HydrophobicContact CB-CG2 3.82Å; N56-I59 WeakPolarHBondContact O-CA 3.4Å; N56-I59 WeakPolarHBondContact O-CG2 3.46Å; N56-I59 PolarHBondContact O-N 3.39Å; N56-I59 PolarHBondContact OD1-N 3.02Å; Q57-I59 VanDerWaalsContact C-N 3.33Å; Q57-I59 PolarHBondContact O-N 3.22Å; I59-L62 WeakPolarHBondContact O-CB 3.46Å; I59-L62 PolarHBondContact O-N 2.98Å; I59-W63 HydrophobicContact CD1-CZ2 3.73Å; I59-W63 HydrophobicContact CG1-CD2 4.42Å; I59-W63 HydrophobicContact CG1-CH2 4.42Å; I59-W63 HydrophobicContact CG1-CZ2 3.69Å; I59-W63 WeakPolarHBondContact O-CB 3.47Å; I59-W63 VanDerWaalsContact O-CD1 3.25Å; I59-W63 PolarHBondContact O-N 2.97Å; I59-A95 HydrophobicContact CD1-CB 3.63Å |
| 60 | R | 83.3 | Confident | 76 | Confident | 125 Ų | 125 | 78 Ų | 78 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 175.7 | -69.8 | -177.3 | 174.3 | -102.8 | 1.1 | 112.1 | N56 Q57 L62 S64 | N56-R60 PolarHBondContact O-N 2.67Å; Q57-R60 PolarHBondContact O-N 2.96Å; Q57-R60 VanDerWaalsContact O-N 3.16Å; R60-L62 VanDerWaalsContact C-N 3.33Å; R60-S64 PolarHBondContact O-N 3.4Å; R60-S64 VanDerWaalsContact O-N 3.16Å; R60-S64 PolarHBondContact O-OG 3.31Å |
| 61 | S | 85.5 | Confident | 78.1 | Confident | 72 Ų | 72 | 75.9 Ų | 75.9 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 171.5 | 50.3 | 0 | 0 | 0 | 0 | 112 | Q57 S58 S64 | Q57-S61 PolarHBondContact O-N 3.17Å; Q57-S61 PolarHBondContact O-OG 3.06Å; S58-S61 WeakPolarHBondContact CA-OG 3.23Å; S58-S61 PolarHBondContact O-OG 3.38Å; S61-S64 WeakPolarHBondContact O-CB 3.34Å; S61-S64 PolarHBondContact O-N 3.48Å |
| 62 | L | 88.9 | Confident | 80.2 | Confident | 67 Ų | 67 | 73 Ų | 73 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64 | -51.7 | 175.4 | -174.9 | 64.6 | 0 | 0 | 0 | 110.9 | S58 I59 R60 S64 T65 G68 | S58-L62 WeakPolarHBondContact O-CB 3.14Å; S58-L62 PolarHBondContact O-N 3.17Å; I59-L62 WeakPolarHBondContact O-CB 3.46Å; I59-L62 PolarHBondContact O-N 2.98Å; R60-L62 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.4Å; L62-T65 PolarHBondContact O-N 2.99Å; L62-T65 PolarHBondContact O-OG1 2.99Å; L62-G68 WeakPolarHBondContact O-CA 3.12Å |
| 63 | W | 89.4 | Confident | 82.4 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 8% | 0.08 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.5 | -10 | 177 | -55.2 | 154.4 | 0 | 0 | 0 | 114.7 | I59 G68 I71 A72 A95 M97 L100 | I59-W63 HydrophobicContact CD1-CZ2 3.73Å; I59-W63 HydrophobicContact CG1-CD2 4.42Å; I59-W63 HydrophobicContact CG1-CH2 4.42Å; I59-W63 HydrophobicContact CG1-CZ2 3.69Å; I59-W63 WeakPolarHBondContact O-CB 3.47Å; I59-W63 VanDerWaalsContact O-CD1 3.25Å; I59-W63 PolarHBondContact O-N 2.97Å; W63-G68 VanDerWaalsContact CE3-O 3.28Å; W63-G68 WeakPolarHBondContact CZ3-O 3.38Å; W63-I71 HydrophobicContact CZ3-CG2 4.46Å; W63-A72 HydrophobicContact CD2-CB 4.45Å; W63-A72 HydrophobicContact CE3-CB 3.84Å; W63-A72 HydrophobicContact CH2-CB 3.84Å; W63-A72 HydrophobicContact CZ2-CB 4.44Å; W63-A72 HydrophobicContact CZ3-CB 3.53Å; W63-A95 HydrophobicContact CZ2-CB 4.24Å; W63-A95 PolarHBondContact NE1-O 3.4Å; W63-M97 HydrophobicContact CH2-CE 4.41Å; W63-M97 HydrophobicContact CH2-SD 3.91Å; W63-M97 HydrophobicContact CZ2-CE 3.87Å; W63-M97 HydrophobicContact CZ2-CG 3.78Å; W63-M97 HydrophobicContact CZ2-SD 3.41Å; W63-M97 WeakPolarHBondContact CZ2-SD 3.35Å; W63-L100 HydrophobicContact CB-CD1 3.84Å; W63-L100 HydrophobicContact CB-CD2 3.83Å; W63-L100 HydrophobicContact CD2-CD1 3.95Å; W63-L100 HydrophobicContact CG-CD1 3.54Å; W63-L100 HydrophobicContact CG-CD2 4.37Å |
| 64 | S | 86.2 | Confident | 84.3 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 71% | 0.713 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.1 | 171.7 | -55.9 | 0 | 0 | 0 | 0 | 113 | R60 S61 L62 | R60-S64 PolarHBondContact O-N 3.4Å; R60-S64 VanDerWaalsContact O-N 3.16Å; R60-S64 PolarHBondContact O-OG 3.31Å; S61-S64 WeakPolarHBondContact O-CB 3.34Å; S61-S64 PolarHBondContact O-N 3.48Å; L62-S64 PolarHBondContact O-N 3.4Å |
| 65 | T | 91.2 | Very high | 86.1 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -102.4 | 151.7 | 173.8 | 72.4 | 0 | 0 | 0 | 0 | 111.5 | L62 G68 L69 | L62-T65 PolarHBondContact O-N 2.99Å; L62-T65 PolarHBondContact O-OG1 2.99Å; T65-G68 PolarHBondContact O-N 2.86Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-G68 PolarHBondContact OG1-N 3.44Å; T65-G68 VanDerWaalsContact OG1-N 3.09Å; T65-L69 PolarHBondContact O-N 3.06Å |
| 66 | E | 90.8 | Very high | 87.9 | Confident | 147 Ų | 147 | 61.5 Ų | 61.5 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59 | -48.8 | 176.2 | -176.2 | 172.6 | -172.6 | 0 | 0 | 111.6 | G68 L69 I70 | E66-G68 PolarHBondContact O-N 3.49Å; E66-L69 PolarHBondContact O-N 2.89Å; E66-L69 VanDerWaalsContact O-N 3.09Å; E66-I70 HydrophobicContact CG-CD1 4.29Å; E66-I70 WeakPolarHBondContact O-CG1 3.48Å; E66-I70 PolarHBondContact O-N 3.41Å |
| 67 | D | 91.1 | Very high | 89.3 | Confident | 117 Ų | 117 | 59 Ų | 59 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -55.1 | -38.9 | 173.6 | -69.3 | -28 | 0 | 0 | 0 | 112.3 | I70 I71 | D67-I70 PolarHBondContact O-N 2.88Å; D67-I71 WeakPolarHBondContact O-CD1 3.12Å; D67-I71 VanDerWaalsContact O-CG1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.46Å; D67-I71 PolarHBondContact O-N 2.77Å |
| 68 | G | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L62 W63 T65 E66 I70 I71 A72 | L62-G68 WeakPolarHBondContact O-CA 3.12Å; W63-G68 VanDerWaalsContact CE3-O 3.28Å; W63-G68 WeakPolarHBondContact CZ3-O 3.38Å; T65-G68 PolarHBondContact O-N 2.86Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-G68 PolarHBondContact OG1-N 3.44Å; T65-G68 VanDerWaalsContact OG1-N 3.09Å; E66-G68 PolarHBondContact O-N 3.49Å; G68-I70 VanDerWaalsContact C-N 3.32Å; G68-I70 PolarHBondContact O-N 2.48Å; G68-I71 PolarHBondContact O-N 3.12Å; G68-A72 WeakPolarHBondContact O-CB 3.26Å; G68-A72 PolarHBondContact O-N 3.32Å |
| 69 | L | 92 | Very high | 90.8 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -37.2 | 172.8 | -68.6 | 175 | 0 | 0 | 0 | 111.8 | T65 E66 A72 S73 L100 L103 | T65-L69 PolarHBondContact O-N 3.06Å; E66-L69 PolarHBondContact O-N 2.89Å; E66-L69 VanDerWaalsContact O-N 3.09Å; L69-A72 PolarHBondContact O-N 3.25Å; L69-S73 VanDerWaalsContact O-CB 3.3Å; L69-S73 WeakPolarHBondContact O-CB 3.02Å; L69-S73 PolarHBondContact O-N 2.87Å; L69-S73 PolarHBondContact O-OG 2.77Å; L69-L100 HydrophobicContact CD2-CB 4.3Å; L69-L100 HydrophobicContact CD2-CD1 4.45Å; L69-L100 HydrophobicContact CD2-CD2 4.2Å; L69-L103 HydrophobicContact CB-CD1 3.99Å |
| 70 | I | 92.5 | Very high | 91.1 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 172.8 | -65 | 165.4 | 0 | 0 | 0 | 110.2 | E66 D67 G68 S73 L74 L108 I111 L112 | E66-I70 HydrophobicContact CG-CD1 4.29Å; E66-I70 WeakPolarHBondContact O-CG1 3.48Å; E66-I70 PolarHBondContact O-N 3.41Å; D67-I70 PolarHBondContact O-N 2.88Å; G68-I70 VanDerWaalsContact C-N 3.32Å; G68-I70 PolarHBondContact O-N 2.48Å; I70-S73 PolarHBondContact O-N 2.84Å; I70-L74 HydrophobicContact CG2-CD1 4.03Å; I70-L74 HydrophobicContact CG2-CG 4.39Å; I70-L74 WeakPolarHBondContact O-CB 3.31Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.33Å; I70-L74 PolarHBondContact O-N 3.24Å; I70-L108 HydrophobicContact CG2-CD2 4.1Å; I70-I111 HydrophobicContact CD1-CG2 3.88Å; I70-L112 HydrophobicContact CG2-CD1 4.19Å; I70-L112 HydrophobicContact CG2-CD2 4.32Å; I70-L112 HydrophobicContact CG2-CG 4.47Å |
| 71 | I | 93.3 | Very high | 91.4 | Very high | 87 Ų | 87 | 52 Ų | 52 | 45% | 0.446 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 176.8 | -69.7 | 161.9 | 0 | 0 | 0 | 111.7 | W63 D67 G68 S73 L74 L75 | W63-I71 HydrophobicContact CZ3-CG2 4.46Å; D67-I71 WeakPolarHBondContact O-CD1 3.12Å; D67-I71 VanDerWaalsContact O-CG1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.46Å; D67-I71 PolarHBondContact O-N 2.77Å; G68-I71 PolarHBondContact O-N 3.12Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.49Å; I71-L74 PolarHBondContact O-N 3.24Å; I71-L75 WeakPolarHBondContact O-CB 3.24Å; I71-L75 PolarHBondContact O-N 3.41Å |
| 72 | A | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.3 | -50.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | W63 G68 L69 L75 V76 M97 L102 | W63-A72 HydrophobicContact CD2-CB 4.45Å; W63-A72 HydrophobicContact CE3-CB 3.84Å; W63-A72 HydrophobicContact CH2-CB 3.84Å; W63-A72 HydrophobicContact CZ2-CB 4.44Å; W63-A72 HydrophobicContact CZ3-CB 3.53Å; G68-A72 WeakPolarHBondContact O-CB 3.26Å; G68-A72 PolarHBondContact O-N 3.32Å; L69-A72 PolarHBondContact O-N 3.25Å; A72-L75 PolarHBondContact O-N 2.78Å; A72-V76 VanDerWaalsContact O-CG2 3.25Å; A72-V76 WeakPolarHBondContact O-CG2 3.42Å; A72-V76 PolarHBondContact O-N 3.36Å; A72-M97 HydrophobicContact CB-SD 3.76Å; A72-L102 HydrophobicContact CB-CD2 3.66Å |
| 73 | S | 92.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.3 | -36.5 | -175.7 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | L69 I70 I71 V76 D77 L103 | L69-S73 VanDerWaalsContact O-CB 3.3Å; L69-S73 WeakPolarHBondContact O-CB 3.02Å; L69-S73 PolarHBondContact O-N 2.87Å; L69-S73 PolarHBondContact O-OG 2.77Å; I70-S73 PolarHBondContact O-N 2.84Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.49Å; S73-V76 PolarHBondContact O-N 2.87Å; S73-D77 WeakPolarHBondContact O-CB 3.42Å; S73-D77 PolarHBondContact O-N 3Å; S73-L103 PolarHBondContact OG-N 3.44Å |
| 74 | L | 93.2 | Very high | 92.1 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 170.8 | -78.2 | 172.8 | 0 | 0 | 0 | 112.7 | I70 I71 F78 L108 L112 V123 L124 L127 | I70-L74 HydrophobicContact CG2-CD1 4.03Å; I70-L74 HydrophobicContact CG2-CG 4.39Å; I70-L74 WeakPolarHBondContact O-CB 3.31Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.33Å; I70-L74 PolarHBondContact O-N 3.24Å; I71-L74 PolarHBondContact O-N 3.24Å; L74-F78 WeakPolarHBondContact O-CB 2.84Å; L74-F78 PolarHBondContact O-N 2.75Å; L74-L108 HydrophobicContact CD2-CD1 4.47Å; L74-L108 HydrophobicContact CG-CD2 4.34Å; L74-L112 HydrophobicContact CD1-CD1 4Å; L74-L112 HydrophobicContact CD2-CD1 3.76Å; L74-L112 HydrophobicContact CG-CD1 4.17Å; L74-V123 HydrophobicContact CD2-CB 3.86Å; L74-V123 HydrophobicContact CD2-CG1 3.72Å; L74-L124 HydrophobicContact CD1-CD1 4.46Å; L74-L124 HydrophobicContact CD2-CB 4.44Å; L74-L127 HydrophobicContact CD1-CD2 4.29Å |
| 75 | L | 93.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 30% | 0.298 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 178.2 | -174.8 | 58.1 | 0 | 0 | 0 | 111.3 | I71 A72 M79 L91 | I71-L75 WeakPolarHBondContact O-CB 3.24Å; I71-L75 PolarHBondContact O-N 3.41Å; A72-L75 PolarHBondContact O-N 2.78Å; L75-M79 HydrophobicContact CD1-CE 4.09Å; L75-M79 HydrophobicContact CG-CE 4.48Å; L75-M79 WeakPolarHBondContact O-CG 3.43Å; L75-M79 PolarHBondContact O-N 3.09Å; L75-L91 HydrophobicContact CD2-CD1 4.43Å; L75-L91 HydrophobicContact CD2-CD2 3.61Å; L75-L91 HydrophobicContact CG-CD2 3.82Å |
| 76 | V | 93.3 | Very high | 92.6 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.3 | -46.9 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | A72 S73 F78 M79 N80 L88 M92 L102 | A72-V76 VanDerWaalsContact O-CG2 3.25Å; A72-V76 WeakPolarHBondContact O-CG2 3.42Å; A72-V76 PolarHBondContact O-N 3.36Å; S73-V76 PolarHBondContact O-N 2.87Å; V76-F78 VanDerWaalsContact C-N 3.33Å; V76-F78 PolarHBondContact O-N 2.98Å; V76-M79 PolarHBondContact O-N 3.36Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.3Å; V76-N80 WeakPolarHBondContact O-CB 3.21Å; V76-N80 PolarHBondContact O-N 3.33Å; V76-N80 PolarHBondContact O-ND2 3.28Å; V76-L88 HydrophobicContact CB-CD1 4.46Å; V76-L88 HydrophobicContact CG1-CD1 4.35Å; V76-L88 HydrophobicContact CG2-CD1 4.04Å; V76-M92 HydrophobicContact CG2-CE 3.43Å; V76-M92 VanDerWaalsContact CG2-CE 3.43Å; V76-M92 HydrophobicContact CG2-SD 4.41Å; V76-L102 HydrophobicContact CG1-CD1 4.32Å; V76-L102 HydrophobicContact CG2-CD1 3.91Å; V76-L102 HydrophobicContact CG2-CD2 4.4Å |
| 77 | D | 92 | Very high | 92.9 | Very high | 18 Ų | 18 | 61.9 Ų | 61.9 | 10% | 0.096 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 173.5 | 174.7 | 81.9 | 0 | 0 | 0 | 111.4 | S73 N80 M81 R105 L108 P122 V123 | S73-D77 WeakPolarHBondContact O-CB 3.42Å; S73-D77 PolarHBondContact O-N 3Å; D77-N80 PolarHBondContact O-N 3.37Å; D77-M81 WeakPolarHBondContact O-CB 3.31Å; D77-M81 PolarHBondContact O-N 2.78Å; D77-R105 VanDerWaalsContact OD1-CD 3.29Å; D77-R105 WeakPolarHBondContact OD1-CD 3.45Å; D77-R105 WeakPolarHBondContact OD1-CG 3.33Å; D77-R105 IonicContact OD1-NE 2.8Å; D77-R105 PolarHBondContact OD1-NE 3.49Å; D77-L108 HydrophobicContact CB-CD1 4.45Å; D77-P122 VanDerWaalsContact OD2-CA 3.31Å; D77-P122 WeakPolarHBondContact OD2-CA 3.5Å; D77-V123 PolarHBondContact OD2-N 3.43Å |
| 78 | F | 93.7 | Very high | 93 | Very high | 71 Ų | 71 | 57 Ų | 57 | 31% | 0.311 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 176 | 178.3 | -94.9 | 0 | 0 | 0 | 112.3 | L74 V76 N80 M81 M82 P122 L124 | L74-F78 WeakPolarHBondContact O-CB 2.84Å; L74-F78 PolarHBondContact O-N 2.75Å; V76-F78 VanDerWaalsContact C-N 3.33Å; V76-F78 PolarHBondContact O-N 2.98Å; F78-N80 PolarHBondContact O-N 2.87Å; F78-M81 PolarHBondContact O-N 2.94Å; F78-M82 HydrophobicContact CD1-CG 4.37Å; F78-M82 HydrophobicContact CD2-CG 4.31Å; F78-M82 HydrophobicContact CE1-CG 3.98Å; F78-M82 HydrophobicContact CE2-CG 3.91Å; F78-M82 HydrophobicContact CE2-SD 4.47Å; F78-M82 HydrophobicContact CZ-CG 3.73Å; F78-M82 WeakPolarHBondContact O-CB 3.19Å; F78-M82 VanDerWaalsContact O-CG 3.25Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 3.12Å; F78-P122 HydrophobicContact CB-CB 4.29Å; F78-P122 HydrophobicContact CD2-CB 3.89Å; F78-P122 HydrophobicContact CD2-CG 3.76Å; F78-P122 HydrophobicContact CE2-CG 4.26Å; F78-L124 HydrophobicContact CD2-CD2 4.46Å |
| 79 | M | 93.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 61.8 Ų | 61.8 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.5 | -36.5 | -179.5 | -71.9 | -166.2 | 176.5 | 0 | 0 | 112.9 | L75 V76 M82 K83 L84 T87 L88 L91 | L75-M79 HydrophobicContact CD1-CE 4.09Å; L75-M79 HydrophobicContact CG-CE 4.48Å; L75-M79 WeakPolarHBondContact O-CG 3.43Å; L75-M79 PolarHBondContact O-N 3.09Å; V76-M79 PolarHBondContact O-N 3.36Å; M79-M82 CarbonylContact O-C 3.52Å; M79-M82 PolarHBondContact O-N 3.35Å; M79-K83 PolarHBondContact O-N 3.21Å; M79-K83 VanDerWaalsContact O-N 3.07Å; M79-L84 HydrophobicContact CB-CB 4.37Å; M79-L84 PolarHBondContact O-N 3.44Å; M79-T87 HydrophobicContact CE-CG2 3.98Å; M79-T87 HydrophobicContact SD-CG2 4.22Å; M79-L88 HydrophobicContact CB-CB 4.14Å; M79-L88 HydrophobicContact CB-CD1 4.18Å; M79-L88 HydrophobicContact SD-CB 4.17Å; M79-L88 HydrophobicContact SD-CD1 4.22Å; M79-L91 HydrophobicContact CE-CD2 3.63Å; M79-L91 HydrophobicContact SD-CB 4.47Å; M79-L91 HydrophobicContact SD-CD2 3.56Å; M79-L91 VanDerWaalsContact SD-CD2 3.56Å |
| 80 | N | 91.7 | Very high | 93.1 | Very high | 89 Ų | 89 | 64 Ų | 64 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 173.7 | -79.8 | -35.3 | 0 | 0 | 0 | 111.7 | V76 D77 F78 M82 K83 L88 | V76-N80 WeakPolarHBondContact CG1-ND2 3.3Å; V76-N80 WeakPolarHBondContact O-CB 3.21Å; V76-N80 PolarHBondContact O-N 3.33Å; V76-N80 PolarHBondContact O-ND2 3.28Å; D77-N80 PolarHBondContact O-N 3.37Å; F78-N80 PolarHBondContact O-N 2.87Å; N80-M82 VanDerWaalsContact C-N 3.28Å; N80-M82 PolarHBondContact O-N 3.37Å; N80-K83 PolarHBondContact O-N 2.82Å; N80-L88 WeakPolarHBondContact OD1-CD2 3.33Å |
| 81 | M | 90 | Very high | 93.1 | Very high | 59 Ų | 59 | 64.8 Ų | 64.8 | 29% | 0.291 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 178.1 | -170.3 | 64.1 | 67.3 | 0 | 0 | 112 | D77 F78 K83 S119 P122 | D77-M81 WeakPolarHBondContact O-CB 3.31Å; D77-M81 PolarHBondContact O-N 2.78Å; F78-M81 PolarHBondContact O-N 2.94Å; M81-K83 VanDerWaalsContact C-N 3.26Å; M81-K83 PolarHBondContact O-N 2.91Å; M81-S119 WeakPolarHBondContact CE-O 3.38Å; M81-P122 HydrophobicContact CB-CB 4.09Å; M81-P122 HydrophobicContact CG-CB 4.22Å |
| 82 | M | 91.7 | Very high | 93 | Very high | 103 Ų | 103 | 61.8 Ų | 61.8 | 51% | 0.507 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.8 | 175.5 | -64.4 | -58.7 | -60.9 | 0 | 0 | 114 | F78 M79 N80 L84 | F78-M82 HydrophobicContact CD1-CG 4.37Å; F78-M82 HydrophobicContact CD2-CG 4.31Å; F78-M82 HydrophobicContact CE1-CG 3.98Å; F78-M82 HydrophobicContact CE2-CG 3.91Å; F78-M82 HydrophobicContact CE2-SD 4.47Å; F78-M82 HydrophobicContact CZ-CG 3.73Å; F78-M82 WeakPolarHBondContact O-CB 3.19Å; F78-M82 VanDerWaalsContact O-CG 3.25Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 3.12Å; M79-M82 CarbonylContact O-C 3.52Å; M79-M82 PolarHBondContact O-N 3.35Å; N80-M82 VanDerWaalsContact C-N 3.28Å; N80-M82 PolarHBondContact O-N 3.37Å; M82-L84 VanDerWaalsContact C-N 3.29Å; M82-L84 HydrophobicContact CB-CD1 3.96Å; M82-L84 HydrophobicContact CB-CG 3.85Å; M82-L84 PolarHBondContact O-N 3Å |
| 83 | K | 91.7 | Very high | 92.7 | Very high | 171 Ų | 171 | 65.9 Ų | 65.9 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 36.5 | -179 | -54.1 | -176.7 | -179.7 | -177.1 | 0 | 114 | M79 N80 M81 E85 | M79-K83 PolarHBondContact O-N 3.21Å; M79-K83 VanDerWaalsContact O-N 3.07Å; N80-K83 PolarHBondContact O-N 2.82Å; M81-K83 VanDerWaalsContact C-N 3.26Å; M81-K83 PolarHBondContact O-N 2.91Å; K83-E85 PolarHBondContact O-N 3.37Å |
| 84 | L | 93.8 | Very high | 92.5 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | trans | -89.3 | 47.3 | -178.6 | -61.3 | 178.2 | 0 | 0 | 0 | 111.9 | M79 M82 N86 T87 L88 | M79-L84 HydrophobicContact CB-CB 4.37Å; M79-L84 PolarHBondContact O-N 3.44Å; M82-L84 VanDerWaalsContact C-N 3.29Å; M82-L84 HydrophobicContact CB-CD1 3.96Å; M82-L84 HydrophobicContact CB-CG 3.85Å; M82-L84 PolarHBondContact O-N 3Å; L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 3.01Å; L84-T87 PolarHBondContact O-N 3.18Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.07Å | ||
| 85 | E | 94 | Very high | 92.2 | Very high | 132 Ų | 132 | 72.4 Ų | 72.4 | 62% | 0.617 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -52.5 | -44.1 | -171.7 | -64.7 | 172.7 | -161.4 | 0 | 0 | 113.1 | K83 L88 N89 | K83-E85 PolarHBondContact O-N 3.37Å; E85-L88 PolarHBondContact O-N 3.45Å; E85-N89 WeakPolarHBondContact O-CB 3.29Å; E85-N89 VanDerWaalsContact O-CG 3.25Å; E85-N89 PolarHBondContact O-N 3.5Å; E85-N89 PolarHBondContact O-ND2 3.47Å; E85-N89 VanDerWaalsContact O-ND2 3.1Å |
| 86 | N | 95.5 | Very high | 91.8 | Very high | 135 Ų | 135 | 72.2 Ų | 72.2 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 177.2 | -68 | -26.4 | 0 | 0 | 0 | 112.3 | L84 N89 V90 | L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 3.01Å; N86-N89 PolarHBondContact O-N 3.5Å; N86-V90 WeakPolarHBondContact O-CG2 3.23Å; N86-V90 PolarHBondContact O-N 2.9Å; N86-V90 VanDerWaalsContact O-N 3.15Å |
| 87 | T | 95.4 | Very high | 91.4 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 178.1 | -49.1 | 0 | 0 | 0 | 0 | 111 | M79 L84 V90 L91 | M79-T87 HydrophobicContact CE-CG2 3.98Å; M79-T87 HydrophobicContact SD-CG2 4.22Å; L84-T87 PolarHBondContact O-N 3.18Å; T87-V90 PolarHBondContact O-N 3.43Å; T87-L91 VanDerWaalsContact O-CB 3.24Å; T87-L91 WeakPolarHBondContact O-CB 3.35Å; T87-L91 PolarHBondContact O-N 3.23Å |
| 88 | L | 94.8 | Very high | 91 | Very high | 14 Ų | 14 | 76.8 Ų | 76.8 | 7% | 0.073 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.1 | 179.4 | 58.9 | 0 | 0 | 0 | 111.1 | V76 M79 N80 L84 E85 V90 L91 M92 | V76-L88 HydrophobicContact CB-CD1 4.46Å; V76-L88 HydrophobicContact CG1-CD1 4.35Å; V76-L88 HydrophobicContact CG2-CD1 4.04Å; M79-L88 HydrophobicContact CB-CB 4.14Å; M79-L88 HydrophobicContact CB-CD1 4.18Å; M79-L88 HydrophobicContact SD-CB 4.17Å; M79-L88 HydrophobicContact SD-CD1 4.22Å; N80-L88 WeakPolarHBondContact OD1-CD2 3.33Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.07Å; E85-L88 PolarHBondContact O-N 3.45Å; L88-V90 PolarHBondContact O-N 2.9Å; L88-L91 PolarHBondContact O-N 3.36Å; L88-M92 HydrophobicContact CD1-CE 3.84Å; L88-M92 HydrophobicContact CD1-CG 4.15Å; L88-M92 HydrophobicContact CD1-SD 4.5Å; L88-M92 HydrophobicContact CG-CG 4.36Å; L88-M92 WeakPolarHBondContact O-CB 3.43Å; L88-M92 VanDerWaalsContact O-CG 3.23Å; L88-M92 WeakPolarHBondContact O-CG 3.23Å; L88-M92 PolarHBondContact O-N 3.41Å |
| 89 | N | 93 | Very high | 90.5 | Very high | 100 Ų | 100 | 82 Ų | 82 | 54% | 0.535 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 177.6 | -74.6 | -35.4 | 0 | 0 | 0 | 112.4 | E85 N86 M92 D93 | E85-N89 WeakPolarHBondContact O-CB 3.29Å; E85-N89 VanDerWaalsContact O-CG 3.25Å; E85-N89 PolarHBondContact O-N 3.5Å; E85-N89 PolarHBondContact O-ND2 3.47Å; E85-N89 VanDerWaalsContact O-ND2 3.1Å; N86-N89 PolarHBondContact O-N 3.5Å; N89-M92 PolarHBondContact O-N 3.25Å; N89-D93 PolarHBondContact O-N 2.87Å |
| 90 | V | 92.8 | Very high | 90.1 | Very high | 91 Ų | 91 | 83 Ų | 83 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.9 | -45.6 | 174.1 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | N86 T87 L88 M92 D93 E94 | N86-V90 WeakPolarHBondContact O-CG2 3.23Å; N86-V90 PolarHBondContact O-N 2.9Å; N86-V90 VanDerWaalsContact O-N 3.15Å; T87-V90 PolarHBondContact O-N 3.43Å; L88-V90 PolarHBondContact O-N 2.9Å; V90-M92 PolarHBondContact O-N 2.79Å; V90-D93 PolarHBondContact O-N 3.4Å; V90-E94 WeakPolarHBondContact O-CB 3.08Å; V90-E94 PolarHBondContact O-N 2.9Å |
| 91 | L | 92.2 | Very high | 89.9 | Confident | 34 Ų | 34 | 87.3 Ų | 87.3 | 18% | 0.178 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | 177.9 | 176.7 | 69.8 | 0 | 0 | 0 | 112.2 | L75 M79 T87 L88 D93 E94 A95 M97 | L75-L91 HydrophobicContact CD2-CD1 4.43Å; L75-L91 HydrophobicContact CD2-CD2 3.61Å; L75-L91 HydrophobicContact CG-CD2 3.82Å; M79-L91 HydrophobicContact CE-CD2 3.63Å; M79-L91 HydrophobicContact SD-CB 4.47Å; M79-L91 HydrophobicContact SD-CD2 3.56Å; M79-L91 VanDerWaalsContact SD-CD2 3.56Å; T87-L91 VanDerWaalsContact O-CB 3.24Å; T87-L91 WeakPolarHBondContact O-CB 3.35Å; T87-L91 PolarHBondContact O-N 3.23Å; L88-L91 PolarHBondContact O-N 3.36Å; L91-D93 PolarHBondContact O-N 3.27Å; L91-E94 PolarHBondContact O-N 3.47Å; L91-A95 HydrophobicContact CD1-CB 3.94Å; L91-A95 HydrophobicContact CG-CB 4.46Å; L91-A95 WeakPolarHBondContact O-CA 3.43Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 2.76Å; L91-M97 HydrophobicContact CD1-CE 3.96Å; L91-M97 HydrophobicContact CD2-CE 3.73Å; L91-M97 HydrophobicContact CG-CE 3.54Å |
| 92 | M | 90.8 | Very high | 89.8 | Confident | 24 Ų | 24 | 87 Ų | 87 | 12% | 0.118 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.6 | -31.8 | 177.6 | -74 | -65.6 | 97.9 | 0 | 0 | 112.4 | V76 L88 N89 V90 Q96 M97 K98 L102 | V76-M92 HydrophobicContact CG2-CE 3.43Å; V76-M92 VanDerWaalsContact CG2-CE 3.43Å; V76-M92 HydrophobicContact CG2-SD 4.41Å; L88-M92 HydrophobicContact CD1-CE 3.84Å; L88-M92 HydrophobicContact CD1-CG 4.15Å; L88-M92 HydrophobicContact CD1-SD 4.5Å; L88-M92 HydrophobicContact CG-CG 4.36Å; L88-M92 WeakPolarHBondContact O-CB 3.43Å; L88-M92 VanDerWaalsContact O-CG 3.23Å; L88-M92 WeakPolarHBondContact O-CG 3.23Å; L88-M92 PolarHBondContact O-N 3.41Å; N89-M92 PolarHBondContact O-N 3.25Å; V90-M92 PolarHBondContact O-N 2.79Å; M92-Q96 CarbonylContact O-C 3.59Å; M92-Q96 WeakPolarHBondContact O-CA 3.29Å; M92-Q96 PolarHBondContact O-N 2.83Å; M92-M97 HydrophobicContact CE-CB 3.52Å; M92-M97 HydrophobicContact CE-CE 3.42Å; M92-M97 VanDerWaalsContact CE-CE 3.42Å; M92-M97 HydrophobicContact CE-CG 4.08Å; M92-M97 HydrophobicContact CE-SD 3.65Å; M92-M97 PolarHBondContact O-N 2.88Å; M92-M97 HydrophobicContact SD-CB 3.69Å; M92-K98 HydrophobicContact CB-CG 4.24Å; M92-K98 PolarHBondContact O-N 3.16Å; M92-L102 HydrophobicContact SD-CD1 4.32Å |
| 93 | D | 87.8 | Confident | 89.6 | Confident | 85 Ų | 85 | 83.9 Ų | 83.9 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -85.7 | -48.7 | -178.9 | -72.8 | 25.1 | 0 | 0 | 0 | 111.1 | N89 V90 L91 Q96 K98 | N89-D93 PolarHBondContact O-N 2.87Å; V90-D93 PolarHBondContact O-N 3.4Å; L91-D93 PolarHBondContact O-N 3.27Å; D93-Q96 PolarHBondContact O-N 3.3Å; D93-K98 WeakPolarHBondContact OD1-CD 3.43Å; D93-K98 WeakPolarHBondContact OD1-CE 3.47Å; D93-K98 IonicContact OD1-NZ 3.21Å; D93-K98 PolarHBondContact OD1-NZ 2.78Å; D93-K98 IonicContact OD2-NZ 2.78Å; D93-K98 PolarHBondContact OD2-NZ 2.88Å |
| 94 | E | 87 | Confident | 89.3 | Confident | 147 Ų | 147 | 80.2 Ų | 80.2 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67 | -43.4 | -179 | -171.8 | 176.1 | 177.9 | 0 | 0 | 112.2 | V90 L91 Q96 | V90-E94 WeakPolarHBondContact O-CB 3.08Å; V90-E94 PolarHBondContact O-N 2.9Å; L91-E94 PolarHBondContact O-N 3.47Å; E94-Q96 VanDerWaalsContact C-N 3.29Å |
| 95 | A | 87.3 | Confident | 88.8 | Confident | 5 Ų | 5 | 79.7 Ų | 79.7 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I59 W63 L91 M97 | I59-A95 HydrophobicContact CD1-CB 3.63Å; W63-A95 HydrophobicContact CZ2-CB 4.24Å; W63-A95 PolarHBondContact NE1-O 3.4Å; L91-A95 HydrophobicContact CD1-CB 3.94Å; L91-A95 HydrophobicContact CG-CB 4.46Å; L91-A95 WeakPolarHBondContact O-CA 3.43Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 2.76Å; A95-M97 HydrophobicContact CB-CE 3.51Å; A95-M97 HydrophobicContact CB-CG 3.95Å; A95-M97 HydrophobicContact CB-SD 4.46Å; A95-M97 PolarHBondContact O-N 3.33Å |
| 96 | Q | 85 | Confident | 88.3 | Confident | 53 Ų | 53 | 79 Ų | 79 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 30.8 | 173.4 | -41.9 | -168.4 | -71.1 | 0 | 0 | 114 | L54 M92 D93 E94 | L54-Q96 PolarHBondContact O-NE2 3.42Å; M92-Q96 CarbonylContact O-C 3.59Å; M92-Q96 WeakPolarHBondContact O-CA 3.29Å; M92-Q96 PolarHBondContact O-N 2.83Å; D93-Q96 PolarHBondContact O-N 3.3Å; E94-Q96 VanDerWaalsContact C-N 3.29Å |
| 97 | M | 86.1 | Confident | 87.9 | Confident | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -83.8 | -10.1 | -173.8 | -65.7 | -164 | -99.3 | 0 | 0 | 114.4 | W63 A72 L91 M92 A95 H99 L100 | W63-M97 HydrophobicContact CH2-CE 4.41Å; W63-M97 HydrophobicContact CH2-SD 3.91Å; W63-M97 HydrophobicContact CZ2-CE 3.87Å; W63-M97 HydrophobicContact CZ2-CG 3.78Å; W63-M97 HydrophobicContact CZ2-SD 3.41Å; W63-M97 WeakPolarHBondContact CZ2-SD 3.35Å; A72-M97 HydrophobicContact CB-SD 3.76Å; L91-M97 HydrophobicContact CD1-CE 3.96Å; L91-M97 HydrophobicContact CD2-CE 3.73Å; L91-M97 HydrophobicContact CG-CE 3.54Å; M92-M97 HydrophobicContact CE-CB 3.52Å; M92-M97 HydrophobicContact CE-CE 3.42Å; M92-M97 VanDerWaalsContact CE-CE 3.42Å; M92-M97 HydrophobicContact CE-CG 4.08Å; M92-M97 HydrophobicContact CE-SD 3.65Å; M92-M97 PolarHBondContact O-N 2.88Å; M92-M97 HydrophobicContact SD-CB 3.69Å; A95-M97 HydrophobicContact CB-CE 3.51Å; A95-M97 HydrophobicContact CB-CG 3.95Å; A95-M97 HydrophobicContact CB-SD 4.46Å; A95-M97 PolarHBondContact O-N 3.33Å; M97-H99 PolarHBondContact O-N 2.98Å; M97-L100 HydrophobicContact CB-CD1 3.87Å; M97-L100 HydrophobicContact CG-CD1 3.66Å; M97-L100 PolarHBondContact O-N 2.9Å; M97-L100 HydrophobicContact SD-CD1 4.42Å |
| 98 | K | 83.5 | Confident | 87.4 | Confident | 132 Ų | 132 | 74.5 Ų | 74.5 | 57% | 0.574 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -50 | -17.4 | 177.8 | -87.5 | 179.8 | 157.3 | 157.2 | 0 | 116.7 | M92 D93 | M92-K98 HydrophobicContact CB-CG 4.24Å; M92-K98 PolarHBondContact O-N 3.16Å; D93-K98 WeakPolarHBondContact OD1-CD 3.43Å; D93-K98 WeakPolarHBondContact OD1-CE 3.47Å; D93-K98 IonicContact OD1-NZ 3.21Å; D93-K98 PolarHBondContact OD1-NZ 2.78Å; D93-K98 IonicContact OD2-NZ 2.78Å; D93-K98 PolarHBondContact OD2-NZ 2.88Å |
| 99 | H | 82.1 | Confident | 86.9 | Confident | 182 Ų | 182 | 76 Ų | 76 | 84% | 0.843 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -120 | 10.7 | -178 | -58.4 | -46.1 | 0 | 0 | 0 | 113.4 | M97 | M97-H99 PolarHBondContact O-N 2.98Š|
| 100 | L | 86.3 | Confident | 86.4 | Confident | 45 Ų | 45 | 75.3 Ų | 75.3 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -87.9 | 141.7 | 176.5 | -60.7 | 175.5 | 0 | 0 | 0 | 110.7 | W63 L69 M97 L102 | W63-L100 HydrophobicContact CB-CD1 3.84Å; W63-L100 HydrophobicContact CB-CD2 3.83Å; W63-L100 HydrophobicContact CD2-CD1 3.95Å; W63-L100 HydrophobicContact CG-CD1 3.54Å; W63-L100 HydrophobicContact CG-CD2 4.37Å; L69-L100 HydrophobicContact CD2-CB 4.3Å; L69-L100 HydrophobicContact CD2-CD1 4.45Å; L69-L100 HydrophobicContact CD2-CD2 4.2Å; M97-L100 HydrophobicContact CB-CD1 3.87Å; M97-L100 HydrophobicContact CG-CD1 3.66Å; M97-L100 PolarHBondContact O-N 2.9Å; M97-L100 HydrophobicContact SD-CD1 4.42Å; L100-L102 HydrophobicContact CB-CD2 4.33Å; L100-L102 HydrophobicContact CB-CG 4.38Å; L100-L102 PolarHBondContact O-N 2.72Å |
| 101 | E | 87 | Confident | 85.9 | Confident | 179 Ų | 179 | 74.7 Ų | 74.7 | 84% | 0.836 | 37% | 0.374 | S | S | * | . | trans | -78.1 | 79.4 | 168.5 | -66 | -175.7 | -173.3 | 0 | 0 | 109.1 | ||||
| 102 | L | 87.4 | Confident | 85.5 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 27% | 0.272 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 142.5 | 177.1 | -63.3 | 168.6 | 0 | 0 | 0 | 110.7 | A72 V76 M92 L100 | A72-L102 HydrophobicContact CB-CD2 3.66Å; V76-L102 HydrophobicContact CG1-CD1 4.32Å; V76-L102 HydrophobicContact CG2-CD1 3.91Å; V76-L102 HydrophobicContact CG2-CD2 4.4Å; M92-L102 HydrophobicContact SD-CD1 4.32Å; L100-L102 HydrophobicContact CB-CD2 4.33Å; L100-L102 HydrophobicContact CB-CG 4.38Å; L100-L102 PolarHBondContact O-N 2.72Å |
| 103 | L | 87.7 | Confident | 84.6 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 20% | 0.199 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 129.4 | -179.3 | -71 | 81.7 | 0 | 0 | 0 | 110.5 | L69 S73 K107 L108 I111 | L69-L103 HydrophobicContact CB-CD1 3.99Å; S73-L103 PolarHBondContact OG-N 3.44Å; L103-K107 HydrophobicContact CB-CB 4.26Å; L103-K107 HydrophobicContact CD2-CB 4.36Å; L103-L108 HydrophobicContact CB-CD2 4.22Å; L103-L108 HydrophobicContact CB-CG 4.08Å; L103-I111 HydrophobicContact CD2-CD1 3.33Å |
| 104 | D | 85.2 | Confident | 83.8 | Confident | 93 Ų | 93 | 75 Ų | 75 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 153.3 | 170.9 | -55.3 | -68.4 | 0 | 0 | 0 | 111.6 | D106 K107 L108 | D104-D106 PolarHBondContact O-N 3.17Å; D104-D106 VanDerWaalsContact O-N 3.12Å; D104-K107 HydrophobicContact CB-CD 4.28Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 WeakPolarHBondContact O-CA 3.5Å; D104-K107 WeakPolarHBondContact O-CB 3.42Å; D104-K107 PolarHBondContact O-N 3.5Å; D104-K107 WeakPolarHBondContact OD2-CE 3.47Å; D104-K107 IonicContact OD2-NZ 2.92Å; D104-K107 PolarHBondContact OD2-NZ 3.45Å; D104-L108 PolarHBondContact O-N 2.77Å |
| 105 | R | 84.2 | Confident | 82.8 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 22% | 0.223 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -52 | -38.2 | -179.7 | -168.9 | 173.8 | -175.9 | -95.7 | -1.4 | 113.4 | D77 L108 M109 S118 S121 V123 | D77-R105 VanDerWaalsContact OD1-CD 3.29Å; D77-R105 WeakPolarHBondContact OD1-CD 3.45Å; D77-R105 WeakPolarHBondContact OD1-CG 3.33Å; D77-R105 IonicContact OD1-NE 2.8Å; D77-R105 PolarHBondContact OD1-NE 3.49Å; R105-L108 PolarHBondContact O-N 3.15Å; R105-M109 HydrophobicContact CG-CE 4.31Å; R105-M109 WeakPolarHBondContact O-CG 3.45Å; R105-M109 PolarHBondContact O-N 3.44Å; R105-S118 PolarHBondContact NH2-O 2.82Å; R105-S121 PolarHBondContact NH2-O 2.93Å; R105-V123 HydrophobicContact CG-CG2 3.79Å |
| 106 | D | 83.2 | Confident | 81.6 | Confident | 118 Ų | 118 | 79.3 Ų | 79.3 | 63% | 0.631 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -71.2 | -34.8 | 178.7 | -59.5 | -36.7 | 0 | 0 | 0 | 112.5 | D104 M109 A110 | D104-D106 PolarHBondContact O-N 3.17Å; D104-D106 VanDerWaalsContact O-N 3.12Å; D106-M109 PolarHBondContact O-N 3.47Å; D106-M109 VanDerWaalsContact OD1-CE 3.24Å; D106-M109 WeakPolarHBondContact OD1-CE 3.21Å; D106-A110 WeakPolarHBondContact O-CB 3.42Å; D106-A110 PolarHBondContact O-N 3.48Å |
| 107 | K | 86.2 | Confident | 80.5 | Confident | 112 Ų | 112 | 83.5 Ų | 83.5 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 172.8 | -64.9 | 170.7 | -179.4 | 155.4 | 0 | 110.7 | L103 D104 A110 I111 | L103-K107 HydrophobicContact CB-CB 4.26Å; L103-K107 HydrophobicContact CD2-CB 4.36Å; D104-K107 HydrophobicContact CB-CD 4.28Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 WeakPolarHBondContact O-CA 3.5Å; D104-K107 WeakPolarHBondContact O-CB 3.42Å; D104-K107 PolarHBondContact O-N 3.5Å; D104-K107 WeakPolarHBondContact OD2-CE 3.47Å; D104-K107 IonicContact OD2-NZ 2.92Å; D104-K107 PolarHBondContact OD2-NZ 3.45Å; K107-A110 PolarHBondContact O-N 3.1Å; K107-I111 WeakPolarHBondContact O-CG1 3.41Å; K107-I111 PolarHBondContact O-N 2.87Å |
| 108 | L | 86.2 | Confident | 79.5 | Confident | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.005 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.2 | -75.7 | 173.2 | 0 | 0 | 0 | 112.3 | I70 L74 D77 L103 D104 R105 A110 I111 L112 V123 | I70-L108 HydrophobicContact CG2-CD2 4.1Å; L74-L108 HydrophobicContact CD2-CD1 4.47Å; L74-L108 HydrophobicContact CG-CD2 4.34Å; D77-L108 HydrophobicContact CB-CD1 4.45Å; L103-L108 HydrophobicContact CB-CD2 4.22Å; L103-L108 HydrophobicContact CB-CG 4.08Å; D104-L108 PolarHBondContact O-N 2.77Å; R105-L108 PolarHBondContact O-N 3.15Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 2.66Å; L108-I111 PolarHBondContact O-N 3.24Å; L108-L112 HydrophobicContact CD2-CD1 4.46Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 PolarHBondContact O-N 2.81Å; L108-V123 HydrophobicContact CB-CG1 4.34Å |
| 109 | M | 82.9 | Confident | 78.9 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 22% | 0.222 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -70.1 | -19.9 | 175.9 | -69.1 | -175.5 | -58 | 0 | 0 | 113.7 | R105 D106 V123 | R105-M109 HydrophobicContact CG-CE 4.31Å; R105-M109 WeakPolarHBondContact O-CG 3.45Å; R105-M109 PolarHBondContact O-N 3.44Å; D106-M109 PolarHBondContact O-N 3.47Å; D106-M109 VanDerWaalsContact OD1-CE 3.24Å; D106-M109 WeakPolarHBondContact OD1-CE 3.21Å; M109-V123 HydrophobicContact CG-CG1 4.5Å; M109-V123 HydrophobicContact CG-CG2 4.1Å |
| 110 | A | 83.3 | Confident | 78.6 | Confident | 85 Ų | 85 | 81 Ų | 81 | 70% | 0.702 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -81.5 | -34 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D106 K107 L108 | D106-A110 WeakPolarHBondContact O-CB 3.42Å; D106-A110 PolarHBondContact O-N 3.48Å; K107-A110 PolarHBondContact O-N 3.1Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 2.66Å |
| 111 | I | 83.3 | Confident | 78.5 | Confident | 79 Ų | 79 | 79.4 Ų | 79.4 | 41% | 0.405 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -82.7 | -41.2 | 179.3 | -65.4 | 164.2 | 0 | 0 | 0 | 111.2 | I70 L103 K107 L108 | I70-I111 HydrophobicContact CD1-CG2 3.88Å; L103-I111 HydrophobicContact CD2-CD1 3.33Å; K107-I111 WeakPolarHBondContact O-CG1 3.41Å; K107-I111 PolarHBondContact O-N 2.87Å; L108-I111 PolarHBondContact O-N 3.24Å |
| 112 | L | 82.2 | Confident | 78.5 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 13% | 0.131 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -93.3 | 125.2 | -177.4 | -63.4 | 169.4 | 0 | 0 | 0 | 110.3 | I70 L74 L108 T114 V123 L127 | I70-L112 HydrophobicContact CG2-CD1 4.19Å; I70-L112 HydrophobicContact CG2-CD2 4.32Å; I70-L112 HydrophobicContact CG2-CG 4.47Å; L74-L112 HydrophobicContact CD1-CD1 4Å; L74-L112 HydrophobicContact CD2-CD1 3.76Å; L74-L112 HydrophobicContact CG-CD1 4.17Å; L108-L112 HydrophobicContact CD2-CD1 4.46Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 PolarHBondContact O-N 2.81Å; L112-T114 HydrophobicContact CB-CG2 4.36Å; L112-T114 PolarHBondContact O-N 3.45Å; L112-V123 HydrophobicContact CD1-CG1 4.14Å; L112-L127 HydrophobicContact CD1-CD2 4.35Å; L112-L127 HydrophobicContact CD2-CD1 4.32Å; L112-L127 HydrophobicContact CD2-CD2 4.42Å |
| 113 | P | 72.4 | Confident | 78.5 | Confident | 98 Ų | 98 | 69 Ų | 69 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | trans | -67.9 | 100.2 | 174.1 | 28.1 | -33.3 | 0 | 0 | 0 | 109.3 | T130 | P113-T130 WeakPolarHBondContact O-CG2 3.38Š| ||
| 114 | T | 70.7 | Confident | 78.6 | Confident | 26 Ų | 26 | 70 Ų | 70 | 16% | 0.16 | 38% | 0.378 | C | S | . | . | trans | -121.3 | 116.1 | 175.2 | 56 | 0 | 0 | 0 | 0 | 110.8 | L112 R116 V123 N126 L127 | L112-T114 HydrophobicContact CB-CG2 4.36Å; L112-T114 PolarHBondContact O-N 3.45Å; T114-R116 PolarHBondContact O-N 2.97Å; T114-V123 HydrophobicContact CG2-CG1 4.45Å; T114-N126 HydrophobicContact CG2-CB 3.95Å; T114-L127 HydrophobicContact CG2-CB 4.38Å | ||
| 115 | E | 65.7 | Low | 78.7 | Confident | 116 Ų | 116 | 69.5 Ų | 69.5 | 54% | 0.542 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -70.3 | -16.7 | -175.4 | -65 | -179 | 168.2 | 0 | 0 | 114.1 | T130 H133 | E115-T130 HydrophobicContact CG-CG2 4.05Å; E115-T130 PolarHBondContact N-OG1 3.21Å; E115-H133 IonicContact OE2-CD2 3.48Å; E115-H133 PolarHBondContact OE2-CD2 3.26Å |
| 116 | R | 62.1 | Low | 78.8 | Confident | 127 Ų | 127 | 66.7 Ų | 66.7 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | trans | -120.5 | 109.6 | -176.7 | -78.8 | -172.4 | -96.8 | 147 | -5.3 | 112 | T114 S118 N126 E129 | T114-R116 PolarHBondContact O-N 2.97Å; R116-S118 PolarHBondContact O-N 3.31Å; R116-N126 PolarHBondContact O-ND2 2.94Å; R116-E129 VanDerWaalsContact CZ-CD 3.41Å; R116-E129 IonicContact CZ-OE1 3.82Å; R116-E129 IonicContact CZ-OE2 2.77Å; R116-E129 IonicContact NE-OE2 2.66Å; R116-E129 IonicContact NH1-OE1 3.96Å; R116-E129 PolarHBondContact NH1-OE1 3.15Å; R116-E129 IonicContact NH1-OE2 2.72Å; R116-E129 PolarHBondContact NH1-OE2 3.34Å; R116-E129 IonicContact NH2-OE1 3.49Å; R116-E129 PolarHBondContact NH2-OE1 3.42Å; R116-E129 IonicContact NH2-OE2 2.48Å; R116-E129 PolarHBondContact NH2-OE2 3.19Å | ||
| 117 | N | 63 | Low | 79 | Confident | 140 Ų | 140 | 62.6 Ų | 62.6 | 75% | 0.749 | 34% | 0.343 | S | S | * | . | trans | -77.8 | 37.9 | 170.1 | 60.4 | 0.3 | 0 | 0 | 0 | 112.9 | S119 | N117-S119 PolarHBondContact O-N 3.21Š| ||
| 118 | S | 64.6 | Low | 79.1 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | trans | -61 | 111.9 | 177.8 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | R105 R116 N120 S121 | R105-S118 PolarHBondContact NH2-O 2.82Å; R116-S118 PolarHBondContact O-N 3.31Å; S118-N120 PolarHBondContact O-N 2.81Å; S118-S121 PolarHBondContact O-N 3.44Å | ||
| 119 | S | 70.3 | Confident | 79.1 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 54% | 0.538 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.1 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | M81 N117 | M81-S119 WeakPolarHBondContact CE-O 3.38Å; N117-S119 PolarHBondContact O-N 3.21Å |
| 120 | N | 77.3 | Confident | 79.2 | Confident | 136 Ų | 136 | 62.2 Ų | 62.2 | 73% | 0.727 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 14.7 | -171.3 | -57.3 | -0.7 | 0 | 0 | 0 | 112.3 | S118 | S118-N120 PolarHBondContact O-N 2.81Š|
| 121 | S | 83.2 | Confident | 79.3 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -125.3 | 136.9 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | R105 S118 N126 | R105-S121 PolarHBondContact NH2-O 2.93Å; S118-S121 PolarHBondContact O-N 3.44Å; S121-N126 VanDerWaalsContact CB-OD1 3.28Å; S121-N126 WeakPolarHBondContact CB-OD1 3.26Å; S121-N126 PolarHBondContact OG-OD1 3.37Å |
| 122 | P | 87.7 | Confident | 79.5 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 8% | 0.078 | 35% | 0.345 | C | S | . | . | trans | -67.4 | 144.5 | 173.7 | 29.9 | -33.4 | 0 | 0 | 0 | 109.9 | D77 F78 M81 L124 L125 N126 | D77-P122 VanDerWaalsContact OD2-CA 3.31Å; D77-P122 WeakPolarHBondContact OD2-CA 3.5Å; F78-P122 HydrophobicContact CB-CB 4.29Å; F78-P122 HydrophobicContact CD2-CB 3.89Å; F78-P122 HydrophobicContact CD2-CG 3.76Å; F78-P122 HydrophobicContact CE2-CG 4.26Å; M81-P122 HydrophobicContact CB-CB 4.09Å; M81-P122 HydrophobicContact CG-CB 4.22Å; P122-L124 PolarHBondContact O-N 2.81Å; P122-L124 VanDerWaalsContact O-N 3.15Å; P122-L125 HydrophobicContact CG-CB 3.99Å; P122-L125 WeakPolarHBondContact O-CB 3.37Å; P122-L125 PolarHBondContact O-N 3.14Å; P122-N126 PolarHBondContact O-N 3.26Å | ||
| 123 | V | 87.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.7 | -35 | -176.2 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | L74 D77 R105 L108 M109 L112 T114 L125 N126 L127 | L74-V123 HydrophobicContact CD2-CB 3.86Å; L74-V123 HydrophobicContact CD2-CG1 3.72Å; D77-V123 PolarHBondContact OD2-N 3.43Å; R105-V123 HydrophobicContact CG-CG2 3.79Å; L108-V123 HydrophobicContact CB-CG1 4.34Å; M109-V123 HydrophobicContact CG-CG1 4.5Å; M109-V123 HydrophobicContact CG-CG2 4.1Å; L112-V123 HydrophobicContact CD1-CG1 4.14Å; T114-V123 HydrophobicContact CG2-CG1 4.45Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.15Å; V123-N126 PolarHBondContact O-N 2.84Å; V123-N126 VanDerWaalsContact O-N 3.16Å; V123-L127 PolarHBondContact O-N 3.46Å |
| 124 | L | 89.6 | Confident | 80.2 | Confident | 59 Ų | 59 | 68 Ų | 68 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.8 | -36.9 | 175.2 | -175 | 63.7 | 0 | 0 | 0 | 113.3 | L74 F78 P122 I128 | L74-L124 HydrophobicContact CD1-CD1 4.46Å; L74-L124 HydrophobicContact CD2-CB 4.44Å; F78-L124 HydrophobicContact CD2-CD2 4.46Å; P122-L124 PolarHBondContact O-N 2.81Å; P122-L124 VanDerWaalsContact O-N 3.15Å; L124-I128 HydrophobicContact CG-CD1 4.35Å; L124-I128 WeakPolarHBondContact O-CD1 3.38Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.32Å; L124-I128 PolarHBondContact O-N 2.94Å; L124-I128 VanDerWaalsContact O-N 3.16Å |
| 125 | L | 87.2 | Confident | 80.9 | Confident | 83 Ų | 83 | 75.1 Ų | 75.1 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.2 | -44.4 | 176.7 | 179.2 | 57.4 | 0 | 0 | 0 | 110.8 | P122 V123 L127 I128 E129 | P122-L125 HydrophobicContact CG-CB 3.99Å; P122-L125 WeakPolarHBondContact O-CB 3.37Å; P122-L125 PolarHBondContact O-N 3.14Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.15Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 2.64Å; L125-I128 PolarHBondContact O-N 3.36Å; L125-I128 VanDerWaalsContact O-N 3.16Å; L125-E129 HydrophobicContact CD1-CG 4.36Å; L125-E129 WeakPolarHBondContact O-CG 3.39Å; L125-E129 PolarHBondContact O-N 2.93Å |
| 126 | N | 85.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 178.5 | -54.5 | -14.4 | 0 | 0 | 0 | 111.3 | T114 R116 S121 P122 V123 T130 | T114-N126 HydrophobicContact CG2-CB 3.95Å; R116-N126 PolarHBondContact O-ND2 2.94Å; S121-N126 VanDerWaalsContact CB-OD1 3.28Å; S121-N126 WeakPolarHBondContact CB-OD1 3.26Å; S121-N126 PolarHBondContact OG-OD1 3.37Å; P122-N126 PolarHBondContact O-N 3.26Å; V123-N126 PolarHBondContact O-N 2.84Å; V123-N126 VanDerWaalsContact O-N 3.16Å; N126-T130 WeakPolarHBondContact O-CB 3.27Å; N126-T130 PolarHBondContact O-N 2.62Å; N126-T130 PolarHBondContact O-OG1 3.28Å |
| 127 | L | 88.1 | Confident | 82.3 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 173.1 | 179.7 | 63.3 | 0 | 0 | 0 | 111.6 | L74 L112 T114 V123 L125 E129 T130 L131 | L74-L127 HydrophobicContact CD1-CD2 4.29Å; L112-L127 HydrophobicContact CD1-CD2 4.35Å; L112-L127 HydrophobicContact CD2-CD1 4.32Å; L112-L127 HydrophobicContact CD2-CD2 4.42Å; T114-L127 HydrophobicContact CG2-CB 4.38Å; V123-L127 PolarHBondContact O-N 3.46Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 2.64Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact O-N 3.4Å; L127-T130 PolarHBondContact O-N 2.94Å; L127-L131 HydrophobicContact CD1-CD1 4.27Å; L127-L131 HydrophobicContact CD1-CG 4.32Å; L127-L131 HydrophobicContact CG-CD1 4.09Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.32Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 2.91Å |
| 128 | I | 88 | Confident | 82.7 | Confident | 85 Ų | 85 | 73.7 Ų | 73.7 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 177.5 | -68.7 | 164.7 | 0 | 0 | 0 | 111.3 | L124 L125 K132 | L124-I128 HydrophobicContact CG-CD1 4.35Å; L124-I128 WeakPolarHBondContact O-CD1 3.38Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.32Å; L124-I128 PolarHBondContact O-N 2.94Å; L124-I128 VanDerWaalsContact O-N 3.16Å; L125-I128 PolarHBondContact O-N 3.36Å; L125-I128 VanDerWaalsContact O-N 3.16Å; I128-K132 HydrophobicContact CG2-CD 4.05Å; I128-K132 WeakPolarHBondContact O-CB 3.38Å; I128-K132 VanDerWaalsContact O-CG 3.26Å; I128-K132 WeakPolarHBondContact O-CG 3.39Å; I128-K132 PolarHBondContact O-N 3.39Å |
| 129 | E | 86.3 | Confident | 82.7 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.8 | -70.5 | -172.2 | 114.1 | 0 | 0 | 112.2 | R116 L125 L127 K132 H133 | R116-E129 VanDerWaalsContact CZ-CD 3.41Å; R116-E129 IonicContact CZ-OE1 3.82Å; R116-E129 IonicContact CZ-OE2 2.77Å; R116-E129 IonicContact NE-OE2 2.66Å; R116-E129 IonicContact NH1-OE1 3.96Å; R116-E129 PolarHBondContact NH1-OE1 3.15Å; R116-E129 IonicContact NH1-OE2 2.72Å; R116-E129 PolarHBondContact NH1-OE2 3.34Å; R116-E129 IonicContact NH2-OE1 3.49Å; R116-E129 PolarHBondContact NH2-OE1 3.42Å; R116-E129 IonicContact NH2-OE2 2.48Å; R116-E129 PolarHBondContact NH2-OE2 3.19Å; L125-E129 HydrophobicContact CD1-CG 4.36Å; L125-E129 WeakPolarHBondContact O-CG 3.39Å; L125-E129 PolarHBondContact O-N 2.93Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact O-N 3.4Å; E129-K132 PolarHBondContact O-N 3.31Å; E129-H133 PolarHBondContact O-N 2.97Å |
| 130 | T | 85 | Confident | 82.2 | Confident | 11 Ų | 11 | 78.6 Ų | 78.6 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.2 | -45 | 178.4 | -51 | 0 | 0 | 0 | 0 | 110.9 | P113 E115 N126 L127 K132 H133 L134 | P113-T130 WeakPolarHBondContact O-CG2 3.38Å; E115-T130 HydrophobicContact CG-CG2 4.05Å; E115-T130 PolarHBondContact N-OG1 3.21Å; N126-T130 WeakPolarHBondContact O-CB 3.27Å; N126-T130 PolarHBondContact O-N 2.62Å; N126-T130 PolarHBondContact O-OG1 3.28Å; L127-T130 PolarHBondContact O-N 2.94Å; T130-K132 VanDerWaalsContact C-N 3.29Å; T130-K132 PolarHBondContact O-N 3.49Å; T130-H133 WeakPolarHBondContact O-CB 3.38Å; T130-H133 PolarHBondContact O-N 3.08Å; T130-L134 HydrophobicContact CG2-CD1 3.97Å; T130-L134 WeakPolarHBondContact O-CD1 3.48Å; T130-L134 PolarHBondContact O-N 2.93Å |
| 131 | L | 86.5 | Confident | 81.4 | Confident | 103 Ų | 103 | 79.9 Ų | 79.9 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.4 | -37.3 | 173.9 | -70.8 | 172.9 | 0 | 0 | 0 | 112.6 | L127 R135 | L127-L131 HydrophobicContact CD1-CD1 4.27Å; L127-L131 HydrophobicContact CD1-CG 4.32Å; L127-L131 HydrophobicContact CG-CD1 4.09Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.32Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 2.91Å; L131-R135 WeakPolarHBondContact O-CB 3.48Å; L131-R135 PolarHBondContact O-N 3.22Å |
| 132 | K | 87.6 | Confident | 80.1 | Confident | 130 Ų | 130 | 84.3 Ų | 84.3 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.4 | -37.5 | 172.9 | -75 | 170.7 | 66.8 | -176.5 | 0 | 112.1 | I128 E129 T130 R135 N136 | I128-K132 HydrophobicContact CG2-CD 4.05Å; I128-K132 WeakPolarHBondContact O-CB 3.38Å; I128-K132 VanDerWaalsContact O-CG 3.26Å; I128-K132 WeakPolarHBondContact O-CG 3.39Å; I128-K132 PolarHBondContact O-N 3.39Å; E129-K132 PolarHBondContact O-N 3.31Å; T130-K132 VanDerWaalsContact C-N 3.29Å; T130-K132 PolarHBondContact O-N 3.49Å; K132-R135 PolarHBondContact O-N 3.42Å; K132-N136 PolarHBondContact O-N 3.31Å; K132-N136 VanDerWaalsContact O-N 3.16Å; K132-N136 PolarHBondContact O-ND2 3.13Å; K132-N136 PolarHBondContact O-OD1 3.43Å |
| 133 | H | 84.3 | Confident | 78.4 | Confident | 87 Ų | 87 | 90.8 Ų | 90.8 | 40% | 0.403 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.1 | -48.2 | 175.8 | -162.6 | -18.9 | 0 | 0 | 0 | 111.5 | E115 E129 T130 R135 N136 Q137 | E115-H133 IonicContact OE2-CD2 3.48Å; E115-H133 PolarHBondContact OE2-CD2 3.26Å; E129-H133 PolarHBondContact O-N 2.97Å; T130-H133 WeakPolarHBondContact O-CB 3.38Å; T130-H133 PolarHBondContact O-N 3.08Å; H133-R135 VanDerWaalsContact C-N 3.32Å; H133-R135 PolarHBondContact O-N 2.92Å; H133-N136 PolarHBondContact O-N 3.41Å; H133-N136 VanDerWaalsContact O-N 3.16Å; H133-Q137 PolarHBondContact CE1-NE2 2.76Å; H133-Q137 VanDerWaalsContact CE1-NE2 3.28Å; H133-Q137 PolarHBondContact ND1-NE2 3.03Å; H133-Q137 PolarHBondContact O-N 2.95Å |
| 134 | L | 84.2 | Confident | 76.6 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 176.2 | -92.4 | 64.9 | 0 | 0 | 0 | 111.7 | T130 N136 Q137 K138 | T130-L134 HydrophobicContact CG2-CD1 3.97Å; T130-L134 WeakPolarHBondContact O-CD1 3.48Å; T130-L134 PolarHBondContact O-N 2.93Å; L134-N136 VanDerWaalsContact C-N 3.28Å; L134-N136 PolarHBondContact O-N 2.92Å; L134-Q137 PolarHBondContact O-N 3.37Å; L134-K138 PolarHBondContact O-N 3.45Å |
| 135 | R | 86 | Confident | 74.5 | Confident | 177 Ų | 177 | 98.3 Ų | 98.3 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -35.9 | 177.3 | -161.4 | -172.2 | 82.3 | 141.6 | 7.1 | 112.5 | L131 K132 H133 | L131-R135 WeakPolarHBondContact O-CB 3.48Å; L131-R135 PolarHBondContact O-N 3.22Å; K132-R135 PolarHBondContact O-N 3.42Å; H133-R135 VanDerWaalsContact C-N 3.32Å; H133-R135 PolarHBondContact O-N 2.92Å |
| 136 | N | 81.1 | Confident | 72.6 | Confident | 88 Ų | 88 | 100.6 Ų | 100.6 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.4 | -43 | 179.4 | -66.3 | -9.4 | 0 | 0 | 0 | 111.4 | K132 H133 L134 K138 I139 | K132-N136 PolarHBondContact O-N 3.31Å; K132-N136 VanDerWaalsContact O-N 3.16Å; K132-N136 PolarHBondContact O-ND2 3.13Å; K132-N136 PolarHBondContact O-OD1 3.43Å; H133-N136 PolarHBondContact O-N 3.41Å; H133-N136 VanDerWaalsContact O-N 3.16Å; L134-N136 VanDerWaalsContact C-N 3.28Å; L134-N136 PolarHBondContact O-N 2.92Å; N136-K138 VanDerWaalsContact C-N 3.26Å; N136-K138 PolarHBondContact O-N 2.95Å; N136-I139 PolarHBondContact O-N 2.92Å; N136-I139 VanDerWaalsContact O-N 3.13Å |
| 137 | Q | 75.7 | Confident | 70.6 | Confident | 99 Ų | 99 | 105.8 Ų | 105.8 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.5 | -38.6 | 177.1 | -70.5 | 179.2 | 21.3 | 0 | 0 | 112.3 | H133 L134 I139 D140 | H133-Q137 PolarHBondContact CE1-NE2 2.76Å; H133-Q137 VanDerWaalsContact CE1-NE2 3.28Å; H133-Q137 PolarHBondContact ND1-NE2 3.03Å; H133-Q137 PolarHBondContact O-N 2.95Å; L134-Q137 PolarHBondContact O-N 3.37Å; Q137-I139 PolarHBondContact O-N 3.27Å; Q137-I139 VanDerWaalsContact O-N 3.14Å; Q137-D140 PolarHBondContact O-N 3.49Å |
| 138 | K | 70.8 | Confident | 68.7 | Low | 166 Ų | 166 | 109 Ų | 109 | 72% | 0.722 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.6 | -15.9 | -179.1 | -165.2 | 172.7 | -179 | -179.4 | 0 | 114.2 | L134 N136 T142 | L134-K138 PolarHBondContact O-N 3.45Å; N136-K138 VanDerWaalsContact C-N 3.26Å; N136-K138 PolarHBondContact O-N 2.95Å; K138-T142 PolarHBondContact O-OG1 3.43Å |
| 139 | I | 64.2 | Low | 66.7 | Low | 102 Ų | 102 | 109.4 Ų | 109.4 | 52% | 0.523 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -80.4 | -40 | -179.5 | -64.1 | 170.9 | 0 | 0 | 0 | 110.7 | N136 Q137 E141 T142 | N136-I139 PolarHBondContact O-N 2.92Å; N136-I139 VanDerWaalsContact O-N 3.13Å; Q137-I139 PolarHBondContact O-N 3.27Å; Q137-I139 VanDerWaalsContact O-N 3.14Å; I139-E141 PolarHBondContact O-N 2.87Å; I139-T142 PolarHBondContact O-N 3.25Å |
| 140 | D | 60.7 | Low | 65.1 | Low | 126 Ų | 126 | 114.1 Ų | 114.1 | 67% | 0.674 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.4 | -24.5 | -174.6 | -66.2 | -34 | 0 | 0 | 0 | 113.8 | Q137 T142 | Q137-D140 PolarHBondContact O-N 3.49Å; D140-T142 VanDerWaalsContact C-N 3.29Å; D140-T142 PolarHBondContact O-N 3.05Å |
| 141 | E | 59.6 | Low | 63.4 | Low | 164 Ų | 164 | 121.4 Ų | 121.4 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -17.2 | 178.7 | -74 | -80.9 | 127.5 | 0 | 0 | 114 | I139 | I139-E141 PolarHBondContact O-N 2.87Š|
| 142 | T | 56.3 | Low | 61.7 | Low | 105 Ų | 105 | 122 Ų | 122 | 64% | 0.644 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -17.7 | -168.4 | -41.5 | 0 | 0 | 0 | 0 | 113.9 | K138 I139 D140 | K138-T142 PolarHBondContact O-OG1 3.43Å; I139-T142 PolarHBondContact O-N 3.25Å; D140-T142 VanDerWaalsContact C-N 3.29Å; D140-T142 PolarHBondContact O-N 3.05Å |
| 143 | D | 51.7 | Low | 59.9 | Low | 148 Ų | 148 | 126.7 Ų | 126.7 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -104.8 | -0.3 | -173 | -76.3 | -19.1 | 0 | 0 | 0 | 114.8 | ||
| 144 | S | 50.4 | Low | 58.3 | Low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -96.9 | 12.8 | -171 | -70.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 145 | S | 44.5 | Very low | 56.9 | Low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -121.7 | 47.9 | -177 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 146 | T | 48.7 | Very low | 55.2 | Low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -136.3 | 95.5 | 160.8 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 147 | S | 43.8 | Very low | 54 | Low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 22 | 117.1 | 140.6 | -56.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 148 | A | 47.6 | Very low | 52.7 | Low | 97 Ų | 97 | 140.4 Ų | 140.4 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 70.9 | 119.2 | 136 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 149 | S | 45.6 | Very low | 51.8 | Low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | 65.7 | 99.5 | 131.8 | -157.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 150 | N | 52.6 | Low | 51.2 | Low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | 177 | 150.6 | 99.2 | -93.9 | -62.4 | 0 | 0 | 0 | 113.3 | |||||
| 151 | N | 49 | Very low | 50.4 | Low | 163 Ų | 163 | 139.8 Ų | 139.8 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -58.5 | 132 | 164.1 | -93.9 | -44.3 | 0 | 0 | 0 | 111.1 | ||||
| 152 | S | 51.5 | Low | 49.9 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | -159.6 | 140.2 | 126.3 | -159.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 153 | R | 49.5 | Very low | 49.7 | Very low | 228 Ų | 228 | 141.5 Ų | 141.5 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -74.3 | 140 | 170.4 | -57.7 | 162.4 | -176.4 | 135.9 | 1.1 | 108.2 | ||||
| 154 | N | 51.3 | Low | 49.1 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -164.1 | 153.8 | 132 | -98.3 | -29.6 | 0 | 0 | 0 | 113.5 | ||||
| 155 | K | 54.6 | Low | 49 | Very low | 202 Ų | 202 | 146.1 Ų | 146.1 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -86.8 | 160.3 | -173.5 | -64.5 | 168.7 | 174.8 | 174 | 0 | 112.1 | ||||
| 156 | S | 51 | Low | 48.9 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 106.3 | 137.4 | 138 | -157.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 157 | S | 54.2 | Low | 48.9 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | 70.6 | 133.8 | 168.9 | 83.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 158 | R | 49.4 | Very low | 48.9 | Very low | 240 Ų | 240 | 148.8 Ų | 148.8 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | cis | -143.7 | 145.5 | 8.5 | -108.7 | 157.5 | -172.1 | 159.2 | 1.2 | 111.4 | ||||
| 159 | I | 52.3 | Low | 48.6 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | -89.7 | 149.8 | 164.8 | -69.6 | 169.6 | 0 | 0 | 0 | 105.1 | ||||
| 160 | P | 51.4 | Low | 48.2 | Very low | 107 Ų | 107 | 155.8 Ų | 155.8 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | -151.2 | 151.5 | 61.2 | 41.5 | -19.7 | 0 | 0 | 0 | 122.3 | |||||
| 161 | V | 43.2 | Very low | 47.5 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -61.2 | 132.8 | 149.6 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 162 | L | 48.9 | Very low | 47.4 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -129.9 | 97.6 | 161.6 | -79.2 | 160.8 | 0 | 0 | 0 | 106.5 | ||||
| 163 | Q | 53.2 | Low | 47 | Very low | 154 Ų | 154 | 154 Ų | 154 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | 53.5 | 96.6 | 82.7 | -66.3 | -167.9 | -22.1 | 0 | 0 | 114.2 | |||||
| 164 | S | 39.1 | Very low | 46.6 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 47.6 | 89.8 | 130.4 | -51.7 | 0 | 0 | 0 | 0 | 118.9 | K166 | S164-K166 PolarHBondContact O-N 2.94Š| ||
| 165 | R | 47.1 | Very low | 46.2 | Very low | 241 Ų | 241 | 145.2 Ų | 145.2 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -90.1 | 86.2 | 146.9 | -73 | -167.5 | -167.7 | 175.7 | 7.1 | 110.5 | T167 | R165-T167 PolarHBondContact O-N 3.45Š| ||
| 166 | K | 43.7 | Very low | 45.8 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -82 | 89.8 | 160.8 | -175.9 | -178.2 | -178.1 | -178 | 0 | 107.7 | S164 S168 | S164-K166 PolarHBondContact O-N 2.94Å; K166-S168 PolarHBondContact O-N 2.88Å | ||
| 167 | T | 47.1 | Very low | 45.2 | Very low | 123 Ų | 123 | 144 Ų | 144 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -81.6 | 104.8 | 166.2 | 48.9 | 0 | 0 | 0 | 0 | 108 | R165 F169 | R165-T167 PolarHBondContact O-N 3.45Å; T167-F169 PolarHBondContact O-N 3.47Å; T167-F169 VanDerWaalsContact O-N 3.16Å | ||
| 168 | S | 43.9 | Very low | 44.6 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | trans | -64.1 | 112.1 | 170 | -162.4 | 0 | 0 | 0 | 0 | 108.3 | K166 E170 | K166-S168 PolarHBondContact O-N 2.88Å; S168-E170 VanDerWaalsContact C-N 3.29Å; S168-E170 PolarHBondContact O-N 3.48Å | ||
| 169 | F | 41.1 | Very low | 44.1 | Very low | 202 Ų | 202 | 141.7 Ų | 141.7 | 89% | 0.886 | 75% | 0.749 | S | S | * | * | trans | -86.9 | 82.7 | 163.2 | -159.5 | -92 | 0 | 0 | 0 | 106.6 | T167 S171 | T167-F169 PolarHBondContact O-N 3.47Å; T167-F169 VanDerWaalsContact O-N 3.16Å; F169-S171 PolarHBondContact O-N 3Å | ||
| 170 | E | 37.1 | Very low | 43.5 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | trans | -76 | 116.4 | -177.8 | -166 | 162.4 | 136.6 | 0 | 0 | 109.5 | S168 Q172 | S168-E170 VanDerWaalsContact C-N 3.29Å; S168-E170 PolarHBondContact O-N 3.48Å; E170-Q172 PolarHBondContact O-N 3.38Å | ||
| 171 | S | 38.6 | Very low | 43.4 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -76 | 104 | 175.5 | -169.4 | 0 | 0 | 0 | 0 | 109 | F169 | F169-S171 PolarHBondContact O-N 3Š| ||
| 172 | Q | 47.5 | Very low | 43.2 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -117.5 | 133.3 | 164 | -73.4 | -122.3 | 25 | 0 | 0 | 109.9 | E170 | E170-Q172 PolarHBondContact O-N 3.38Š| ||
| 173 | V | 42.6 | Very low | 42.9 | Very low | 127 Ų | 127 | 145 Ų | 145 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -86.4 | 163 | -175.9 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 174 | S | 41.7 | Very low | 42.3 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | trans | 89 | 106.5 | 166 | -91.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 175 | D | 41.8 | Very low | 42.8 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | 86.5 | 123.7 | 123.3 | -76.3 | -71.5 | 0 | 0 | 0 | 121.4 | |||||
| 176 | K | 46.2 | Very low | 42.7 | Very low | 178 Ų | 178 | 138 Ų | 138 | 77% | 0.774 | 74% | 0.735 | S | S | * | * | trans | 80.5 | 105.6 | 141.3 | -70.1 | 168 | -172.1 | 171.1 | 0 | 119.6 | ||||
| 177 | T | 39.3 | Very low | 42.9 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | 92.5 | 106.2 | 113 | -59.6 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 178 | L | 42.3 | Very low | 42.6 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | 76.6 | 146.3 | 143.3 | -69.8 | 170.1 | 0 | 0 | 0 | 121.8 | ||||
| 179 | N | 37.6 | Very low | 42.9 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 78.6 | 94.8 | 155.7 | -64.1 | -4.7 | 0 | 0 | 0 | 120.1 | ||||
| 180 | T | 40.4 | Very low | 43.3 | Very low | 127 Ų | 127 | 134 Ų | 134 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -53.2 | 165.3 | 134.7 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 181 | P | 48.3 | Very low | 43.8 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | -163.2 | 175.7 | 51.5 | 46.9 | -24 | 0 | 0 | 0 | 121.7 | |||||
| 182 | N | 39.8 | Very low | 44.3 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 85.4 | 159.7 | 136.1 | -132.8 | -14.3 | 0 | 0 | 0 | 123.2 | ||||
| 183 | R | 41.9 | Very low | 43.8 | Very low | 209 Ų | 209 | 137.2 Ų | 137.2 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | trans | 78.4 | 134.7 | 172.3 | -75.1 | -177.2 | 83.8 | 165 | 1 | 116.1 | ||||
| 184 | N | 41.9 | Very low | 43.8 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 57% | 0.567 | 76% | 0.758 | S | S | * | * | cis | -163.3 | 148.5 | 3.6 | -145.9 | 25.6 | 0 | 0 | 0 | 112.5 | ||||
| 185 | V | 48.9 | Very low | 43.9 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 62% | 0.624 | 76% | 0.763 | S | S | * | * | trans | 33.9 | 152.7 | 143.9 | -59.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 186 | N | 44.4 | Very low | 44 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | cis | -160.8 | 150.4 | 0.7 | -113 | -8.6 | 0 | 0 | 0 | 108.5 | ||||
| 187 | G | 49.4 | Very low | 43.4 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | 178.2 | 88.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 188 | S | 40.9 | Very low | 43.5 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -91.2 | 133.9 | -176.7 | -62 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 189 | S | 49.7 | Very low | 43.6 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -158 | 149.3 | 140.9 | -86.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 190 | K | 48.6 | Very low | 43.8 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -63 | 154.4 | -177.1 | -61.9 | 169.7 | 176.8 | 178.1 | 0 | 110 | ||||
| 191 | V | 47.7 | Very low | 43.7 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | -159.1 | 153.6 | 73.2 | 163.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 192 | K | 49.1 | Very low | 43 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -21 | 132.6 | 167.7 | -76.1 | -175.4 | 171.4 | -165.1 | 0 | 118.3 | ||||
| 193 | E | 37.4 | Very low | 42.7 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | 77.6 | 122.7 | 70.1 | -169.2 | -178.9 | -144.1 | 0 | 0 | 110.9 | |||||
| 194 | A | 42.9 | Very low | 42.6 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -145.8 | 159.1 | 6.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 195 | I | 43.7 | Very low | 42.3 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -112.1 | 136.6 | 166.1 | -64.3 | 159.8 | 0 | 0 | 0 | 107.6 | ||||
| 196 | N | 42.8 | Very low | 41.9 | Very low | 172 Ų | 172 | 145 Ų | 145 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | -131.8 | 119.4 | 157.6 | -95.5 | -21.4 | 0 | 0 | 0 | 109.3 | ||||
| 197 | T | 34.4 | Very low | 41.7 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | trans | -125.8 | 155.2 | 175.5 | -60.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 198 | S | 41.7 | Very low | 41.6 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 84 | 139.9 | -168.5 | -35 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 199 | Q | 44 | Very low | 41.7 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | cis | -151.2 | 171.3 | 23 | -137.6 | 156.7 | 25.2 | 0 | 0 | 111.9 | ||||
| 200 | E | 42.2 | Very low | 41.7 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -91 | 169.8 | -169 | -49.6 | 170.6 | 104.5 | 0 | 0 | 115.1 | ||||
| 201 | T | 37.5 | Very low | 41.4 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 71.8 | 159.5 | 154.2 | 58.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 202 | P | 33.7 | Very low | 41.6 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | -134.5 | 165.9 | -75.2 | 33.6 | -13.1 | 0 | 0 | 0 | 114.9 | |||||
| 203 | L | 33.7 | Very low | 41.3 | Very low | 168 Ų | 168 | 145 Ų | 145 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | 24.4 | 108.1 | 159.2 | -59.3 | 179.9 | 0 | 0 | 0 | 118.6 | ||||
| 204 | Q | 40.7 | Very low | 41.9 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -149.1 | 140 | 142.8 | -124.8 | 153.6 | 96.2 | 0 | 0 | 113 | ||||
| 205 | E | 35.6 | Very low | 42.3 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 124 | -171.1 | 176.1 | -176.5 | 176.4 | 0 | 0 | 111.3 | ||||
| 206 | V | 40.7 | Very low | 42.7 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -138.6 | 111.2 | 164.6 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | T208 | V206-T208 HydrophobicContact CG1-CG2 4.45Š| ||
| 207 | V | 39.3 | Very low | 42.8 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | trans | -77.5 | 123.2 | 171.5 | 175.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 208 | T | 47.5 | Very low | 43.8 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -137.8 | 99.9 | 159.6 | 48.6 | 0 | 0 | 0 | 0 | 111.6 | V206 H210 | V206-T208 HydrophobicContact CG1-CG2 4.45Å; T208-H210 PolarHBondContact O-ND1 3.12Å | ||
| 209 | N | 42.4 | Very low | 44.1 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -66.4 | 135.9 | 169.5 | -69.9 | -43.6 | 0 | 0 | 0 | 110.6 | ||||
| 210 | H | 49.5 | Very low | 44.1 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -142.6 | 116.3 | 155.9 | 42.7 | -78.9 | 0 | 0 | 0 | 110.8 | T208 | T208-H210 PolarHBondContact O-ND1 3.12Š| ||
| 211 | S | 42.3 | Very low | 44.4 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -68.6 | 127 | 178.6 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 212 | S | 52.7 | Low | 44.4 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -134 | 77 | 161.6 | -81.9 | 0 | 0 | 0 | 0 | 111.3 | T214 | S212-T214 PolarHBondContact O-N 3.34Å; S212-T214 VanDerWaalsContact O-N 3.16Å | ||
| 213 | R | 42.9 | Very low | 45 | Very low | 220 Ų | 220 | 145.2 Ų | 145.2 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -34.4 | 105.4 | 160.3 | 176 | -172.4 | -174.3 | 171.9 | 1.6 | 113 | ||||
| 214 | T | 50.3 | Low | 45.5 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -115 | 125.5 | 162.4 | -59.6 | 0 | 0 | 0 | 0 | 109.5 | S212 | S212-T214 PolarHBondContact O-N 3.34Å; S212-T214 VanDerWaalsContact O-N 3.16Å | ||
| 215 | Q | 51.1 | Low | 45.7 | Very low | 142 Ų | 142 | 142 Ų | 142 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -88.2 | 128.7 | 179.3 | -59 | 173.4 | 48.9 | 0 | 0 | 109.4 | ||||
| 216 | M | 52.2 | Low | 46.2 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -129.6 | 117.7 | 158.7 | -80.4 | -65.4 | -176.3 | 0 | 0 | 108.5 | ||||
| 217 | R | 44 | Very low | 46.5 | Very low | 235 Ų | 235 | 138.6 Ų | 138.6 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -90.6 | 125.2 | 175.5 | -57.5 | 165.6 | 84.1 | -178.8 | 7.6 | 107 | ||||
| 218 | T | 55.3 | Low | 46.8 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -128.6 | 135.7 | 159.9 | 52 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 219 | S | 49.4 | Very low | 46.8 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -66.6 | 146.2 | -164.5 | -48.7 | 0 | 0 | 0 | 0 | 114 | I221 | S219-I221 PolarHBondContact O-N 2.94Š| ||
| 220 | V | 44.1 | Very low | 47.1 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -63.1 | 126.6 | 160.5 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 221 | I | 47.8 | Very low | 47.1 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -123.8 | 110 | 156.9 | -62 | 179.2 | 0 | 0 | 0 | 106.2 | S219 | S219-I221 PolarHBondContact O-N 2.94Š| ||
| 222 | G | 38.3 | Very low | 47.4 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | -83.1 | 133.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 223 | S | 45.2 | Very low | 47.1 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -139.7 | 114.2 | 161.7 | -74.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 224 | T | 45.3 | Very low | 47.1 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -73.2 | 124.8 | 166.4 | 47.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 225 | D | 43.8 | Very low | 46.9 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | -162.4 | 155.6 | 127.9 | -141.3 | -13.3 | 0 | 0 | 0 | 112.3 | |||||
| 226 | S | 45.6 | Very low | 46.4 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -112.4 | 155.7 | 166.2 | -70.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 227 | P | 48.1 | Very low | 46.2 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | -145.6 | 150.8 | 114.5 | 28.9 | -10.6 | 0 | 0 | 0 | 115.6 | |||||
| 228 | R | 45.8 | Very low | 46.2 | Very low | 221 Ų | 221 | 129.8 Ų | 129.8 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -102.9 | 140.8 | 172.8 | 179.2 | -169.1 | -169.1 | -157.5 | 6.9 | 110.1 | ||||
| 229 | P | 47.8 | Very low | 45.7 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | trans | -107.4 | 123.9 | 154.4 | 0.7 | 20.7 | 0 | 0 | 0 | 110.9 | ||||
| 230 | L | 46.8 | Very low | 45.5 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | 86.9 | 118.9 | 89.5 | -71.8 | 177.3 | 0 | 0 | 0 | 114.1 | |||||
| 231 | T | 49.8 | Very low | 45.5 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -87.8 | 171.2 | 168.6 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 232 | P | 48.8 | Very low | 45.4 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | -156.8 | 170.5 | 87.4 | 41.6 | -21.7 | 0 | 0 | 0 | 118.3 | |||||
| 233 | N | 46.7 | Very low | 46.1 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 81.3 | 110 | 151.9 | -60.5 | -19 | 0 | 0 | 0 | 122.8 | ||||
| 234 | S | 42.3 | Very low | 45.9 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -76.5 | -173.8 | 157.7 | -26.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 235 | P | 47 | Very low | 46.1 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | cis | -140.4 | -178.5 | 31 | 40.7 | -18.3 | 0 | 0 | 0 | 118.3 | ||||
| 236 | A | 40.2 | Very low | 46.3 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -79.7 | 160.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 237 | L | 49 | Very low | 46.1 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 94% | 0.942 | 79% | 0.786 | S | S | * | * | trans | -136.9 | 159.5 | 139.7 | -83.2 | -178.7 | 0 | 0 | 0 | 109.8 | ||||
| 238 | S | 43.7 | Very low | 45.9 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -129.2 | 149.5 | -151.6 | 53.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 239 | S | 44.4 | Very low | 46 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 68.4 | 157.9 | 151.8 | 83.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 240 | V | 45.4 | Very low | 45.7 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | cis | -163.4 | 154.2 | -12.8 | 120 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 241 | G | 42.8 | Very low | 45.6 | Very low | 61 Ų | 61 | 129.3 Ų | 129.3 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | 123.1 | 114.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 242 | K | 46.4 | Very low | 45.2 | Very low | 208 Ų | 208 | 127 Ų | 127 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | 55 | 126.1 | 73.8 | -80 | -162 | 170.4 | -172.5 | 0 | 112.6 | |||||
| 243 | V | 52.7 | Low | 44.6 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 67% | 0.667 | 80% | 0.804 | S | S | * | * | cis | -155.4 | -179.3 | -7.9 | -75.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 244 | E | 40.9 | Very low | 44.7 | Very low | 170 Ų | 170 | 124.7 Ų | 124.7 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | cis | -148.7 | -135.9 | 10 | -156.9 | 124.4 | 87.1 | 0 | 0 | 112 | ||||
| 245 | S | 49.7 | Very low | 45.3 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -127.2 | -168.2 | -171.7 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 246 | P | 49.3 | Very low | 45.9 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | -128.1 | 167.9 | -75.2 | 38.5 | -23.8 | 0 | 0 | 0 | 113.8 | |||||
| 247 | G | 40.4 | Very low | 46.6 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -157 | 97.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 248 | R | 45 | Very low | 47.3 | Very low | 242 Ų | 242 | 123.6 Ų | 123.6 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | 29.9 | 116.1 | 151.4 | -77.5 | 164 | 62.4 | 172.1 | -1 | 121.5 | ||||
| 249 | A | 46.6 | Very low | 47.9 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | 58.1 | 120.3 | 126.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 250 | N | 42.6 | Very low | 48.9 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | -152.9 | 154.8 | 110.1 | -156 | 11.8 | 0 | 0 | 0 | 112.5 | |||||
| 251 | S | 43.9 | Very low | 49.7 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -81.4 | 145.1 | 175.6 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 252 | G | 40.8 | Very low | 50.7 | Low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -172.8 | 105.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 253 | G | 37.1 | Very low | 51.7 | Low | 90 Ų | 90 | 127.9 Ų | 127.9 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | -69.6 | 136.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 254 | S | 47.5 | Very low | 52.3 | Low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -130.5 | 104.7 | 175.2 | -166.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 255 | S | 55.6 | Low | 53.4 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 138.1 | 175.2 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | S257 | S255-S257 PolarHBondContact O-N 3.49Š|
| 256 | P | 59.9 | Low | 54 | Low | 121 Ų | 121 | 131.5 Ų | 131.5 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 124 | -177.8 | 27.7 | -33.8 | 0 | 0 | 0 | 111.3 | I258 | P256-I258 PolarHBondContact O-N 3.27Š|
| 257 | S | 54.7 | Low | 54.6 | Low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.9 | 172.9 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | S255 V259 | S255-S257 PolarHBondContact O-N 3.49Å; S257-V259 PolarHBondContact O-N 3.3Å; S257-V259 VanDerWaalsContact O-N 3.15Å |
| 258 | I | 63.1 | Low | 55.4 | Low | 148 Ų | 148 | 140.8 Ų | 140.8 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -77.8 | 99.6 | 174.7 | -64.2 | 177.2 | 0 | 0 | 0 | 108.7 | P256 R260 | P256-I258 PolarHBondContact O-N 3.27Å; I258-R260 HydrophobicContact CG2-CG 4.34Å; I258-R260 PolarHBondContact O-N 2.96Å; I258-R260 VanDerWaalsContact O-N 3.14Å | ||
| 259 | V | 56.3 | Low | 55.8 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.715 | 80% | 0.803 | S | S | * | * | trans | -72 | 101.9 | 169.8 | -179 | 0 | 0 | 0 | 0 | 108.6 | S257 V261 | S257-V259 PolarHBondContact O-N 3.3Å; S257-V259 VanDerWaalsContact O-N 3.15Å; V259-V261 HydrophobicContact CG1-CG2 4.1Å; V259-V261 PolarHBondContact O-N 2.71Å; V259-V261 VanDerWaalsContact O-N 3.15Å | ||
| 260 | R | 66.7 | Low | 56.4 | Low | 201 Ų | 201 | 135.6 Ų | 135.6 | 76% | 0.758 | 81% | 0.805 | S | S | * | * | trans | -74.6 | 98.6 | 170 | -71.1 | -175.6 | 175.8 | -176.5 | -2.6 | 109.7 | I258 F262 | I258-R260 HydrophobicContact CG2-CG 4.34Å; I258-R260 PolarHBondContact O-N 2.96Å; I258-R260 VanDerWaalsContact O-N 3.14Å; R260-F262 HydrophobicContact CB-CE2 4.3Å; R260-F262 PolarHBondContact O-N 3.4Å | ||
| 261 | V | 62.3 | Low | 57 | Low | 127 Ų | 127 | 134.6 Ų | 134.6 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -77.1 | 107.1 | 171.4 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | V259 | V259-V261 HydrophobicContact CG1-CG2 4.1Å; V259-V261 PolarHBondContact O-N 2.71Å; V259-V261 VanDerWaalsContact O-N 3.15Å | ||
| 262 | F | 62.3 | Low | 58 | Low | 179 Ų | 179 | 136.3 Ų | 136.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 122.9 | 171.3 | -74.8 | -90.7 | 0 | 0 | 0 | 110.1 | R260 | R260-F262 HydrophobicContact CB-CE2 4.3Å; R260-F262 PolarHBondContact O-N 3.4Å |
| 263 | A | 68.6 | Low | 59 | Low | 87 Ų | 87 | 139.2 Ų | 139.2 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 139.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V265 | A263-V265 PolarHBondContact O-N 2.97Š|
| 264 | P | 64.6 | Low | 60.3 | Low | 128 Ų | 128 | 140.5 Ų | 140.5 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 124 | 179.5 | 29.6 | -33.4 | 0 | 0 | 0 | 111.3 | K266 | P264-K266 PolarHBondContact O-N 3.32Š|
| 265 | V | 63.7 | Low | 61 | Low | 139 Ų | 139 | 142.7 Ų | 142.7 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.7 | 170.5 | 175.4 | 0 | 0 | 0 | 0 | 109 | A263 K267 | A263-V265 PolarHBondContact O-N 2.97Å; V265-K267 PolarHBondContact O-N 2.84Å |
| 266 | K | 63 | Low | 61.6 | Low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 122.5 | 169.2 | -76.9 | -177.6 | 173.3 | -178.7 | 0 | 109.3 | P264 Q268 | P264-K266 PolarHBondContact O-N 3.32Å; K266-Q268 PolarHBondContact O-N 3.08Å |
| 267 | K | 62.9 | Low | 61.8 | Low | 208 Ų | 208 | 143.5 Ų | 143.5 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 127.7 | 166.8 | -69.5 | -175.4 | 175 | -176 | 0 | 109.1 | V265 | V265-K267 PolarHBondContact O-N 2.84Š|
| 268 | Q | 56.1 | Low | 62.6 | Low | 196 Ų | 196 | 143.5 Ų | 143.5 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 132.1 | 163.8 | -76.5 | 176.6 | -79.6 | 0 | 0 | 108.9 | K266 | K266-Q268 PolarHBondContact O-N 3.08Š|
| 269 | S | 52.8 | Low | 62.7 | Low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -78.5 | 115.2 | 170.1 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | L271 | S269-L271 PolarHBondContact O-N 2.94Š| ||
| 270 | S | 59.2 | Low | 63.6 | Low | 121 Ų | 121 | 144.8 Ų | 144.8 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -81.4 | 98.7 | 161.4 | 52.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 271 | L | 56.2 | Low | 63.7 | Low | 135 Ų | 135 | 141.5 Ų | 141.5 | 71% | 0.707 | 77% | 0.772 | S | S | * | * | trans | -75.3 | 138.5 | 161 | -141.4 | 90.8 | 0 | 0 | 0 | 108.2 | S269 | S269-L271 PolarHBondContact O-N 2.94Š| ||
| 272 | N | 63.8 | Low | 63.9 | Low | 146 Ų | 146 | 142.1 Ų | 142.1 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 175 | 104.7 | 160 | -81.1 | -24.8 | 0 | 0 | 0 | 103.1 | ||||
| 273 | D | 63 | Low | 64.2 | Low | 133 Ų | 133 | 141.1 Ų | 141.1 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | 62 | 134.1 | 70.2 | -56.3 | -36.1 | 0 | 0 | 0 | 112.2 | |||||
| 274 | D | 64.6 | Low | 64.1 | Low | 118 Ų | 118 | 143.9 Ų | 143.9 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | cis | -170.8 | 151 | -14.8 | -178 | 19.9 | 0 | 0 | 0 | 107.8 | ||||
| 275 | K | 61.7 | Low | 64.2 | Low | 164 Ų | 164 | 145.9 Ų | 145.9 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 64.8 | 159.5 | 157.5 | -91.5 | 164.6 | -157.5 | 69.6 | 0 | 124.8 | ||||
| 276 | S | 67.2 | Low | 64.2 | Low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | 60.2 | 112 | 175 | 49.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 277 | D | 65 | Low | 64.1 | Low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | cis | 62.6 | 84.7 | 16.5 | -132.3 | 35.5 | 0 | 0 | 0 | 112.8 | ||||
| 278 | V | 71.8 | Confident | 63.8 | Low | 107 Ų | 107 | 145.1 Ų | 145.1 | 65% | 0.648 | 79% | 0.79 | S | S | * | * | trans | -143 | 104.4 | 164.8 | 178.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 279 | D | 64.6 | Low | 64.2 | Low | 139 Ų | 139 | 142.6 Ų | 142.6 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -76.9 | 123.2 | 160.1 | -63.7 | -60.3 | 0 | 0 | 0 | 107.5 | ||||
| 280 | D | 75.7 | Confident | 64.8 | Low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -109.8 | 89.3 | 166.2 | -77.8 | -46.9 | 0 | 0 | 0 | 107.6 | ||||
| 281 | D | 69 | Low | 65.1 | Low | 132 Ų | 132 | 145.6 Ų | 145.6 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -68 | 163.2 | 164.4 | -78.9 | -53.2 | 0 | 0 | 0 | 111.1 | ||||
| 282 | D | 66.4 | Low | 65.6 | Low | 141 Ų | 141 | 146.2 Ų | 146.2 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 57.9 | 114.4 | 158.1 | -58.6 | -31.3 | 0 | 0 | 0 | 119.2 | ||||
| 283 | D | 67.9 | Low | 65.7 | Low | 157 Ų | 157 | 146.2 Ų | 146.2 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | -178.6 | 149.3 | 97.7 | -101.8 | -31.4 | 0 | 0 | 0 | 113.9 | |||||
| 284 | D | 66.7 | Low | 65.9 | Low | 145 Ų | 145 | 147.1 Ų | 147.1 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -45.8 | 151.9 | 176.8 | -68.6 | -52.5 | 0 | 0 | 0 | 117.1 | ||||
| 285 | I | 66.1 | Low | 66 | Low | 170 Ų | 170 | 149.1 Ų | 149.1 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | -175.1 | 145 | 110.8 | -96.7 | 160.7 | 0 | 0 | 0 | 113.7 | |||||
| 286 | E | 64.8 | Low | 66.3 | Low | 146 Ų | 146 | 148 Ų | 148 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | trans | -67.9 | 172.8 | -179.7 | -49.1 | -178.7 | 121 | 0 | 0 | 116.1 | ||||
| 287 | K | 60.8 | Low | 66.2 | Low | 172 Ų | 172 | 152.3 Ų | 152.3 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | 79.6 | 101.6 | 151.1 | -74 | 167.7 | 176.4 | 119.3 | 0 | 118.5 | ||||
| 288 | C | 56 | Low | 66.4 | Low | 210 Ų | 210 | 152.1 Ų | 152.1 | 100% | 1.419 | 82% | 0.819 | S | S | * | * | -140.9 | 0 | 108.4 | -85.5 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 288 of 288 residues in 172.2 ms
(Link to these results)