| 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 | 47.4 | Very low | 76.4 | Confident | 252 Ų | 252 | 108.2 Ų | 108.2 | 100% | 1.241 | 66% | 0.664 | S | S | * | * | 0 | 127.6 | 0 | -64.4 | -179 | 176.3 | 0 | 0 | 108.2 | |||||
| 2 | G | 55.3 | Low | 77.8 | Confident | 84 Ų | 84 | 113.1 Ų | 113.1 | 87% | 0.866 | 66% | 0.661 | S | S | * | * | trans | -141.3 | 52.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G4 | G2-G4 PolarHBondContact O-N 2.65Š| ||
| 3 | G | 60 | Low | 78.9 | Confident | 87 Ų | 87 | 106.2 Ų | 106.2 | 90% | 0.897 | 62% | 0.619 | S | S | * | * | trans | -87.9 | 72.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 4 | G | 75.6 | Confident | 79.8 | Confident | 63 Ų | 63 | 105 Ų | 105 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | trans | -76 | 133.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | G2 L6 | G2-G4 PolarHBondContact O-N 2.65Å; G4-L6 PolarHBondContact O-N 3.48Å; G4-L6 VanDerWaalsContact O-N 3.14Å | ||
| 5 | D | 81.4 | Confident | 80.5 | Confident | 78 Ų | 78 | 106.5 Ų | 106.5 | 42% | 0.417 | 62% | 0.615 | S | S | . | * | trans | -56.2 | 118.6 | -177.6 | 172.7 | 19.2 | 0 | 0 | 0 | 111.7 | N7 L8 | D5-N7 PolarHBondContact O-N 3.22Å; D5-N7 WeakPolarHBondContact OD1-CB 3.48Å; D5-N7 PolarHBondContact OD1-N 3.43Å; D5-N7 PolarHBondContact OD1-ND2 3.07Å; D5-L8 HydrophobicContact CB-CD1 3.63Å; D5-L8 PolarHBondContact O-N 2.98Å; D5-L8 WeakPolarHBondContact OD2-CD1 3.46Å | ||
| 6 | L | 84.7 | Confident | 81.1 | Confident | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -62.4 | -22.9 | -177 | -175.2 | 60.7 | 0 | 0 | 0 | 112.4 | G4 K9 | G4-L6 PolarHBondContact O-N 3.48Å; G4-L6 VanDerWaalsContact O-N 3.14Å; L6-K9 HydrophobicContact CD1-CD 4.3Å; L6-K9 WeakPolarHBondContact O-CB 3.4Å; L6-K9 PolarHBondContact O-N 3.22Å |
| 7 | N | 85 | Confident | 81.7 | Confident | 66 Ų | 66 | 103.1 Ų | 103.1 | 35% | 0.353 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -68.2 | -32.1 | 179.4 | -61.6 | -58 | 0 | 0 | 0 | 112.5 | D5 K9 K10 H13 | D5-N7 PolarHBondContact O-N 3.22Å; D5-N7 WeakPolarHBondContact OD1-CB 3.48Å; D5-N7 PolarHBondContact OD1-N 3.43Å; D5-N7 PolarHBondContact OD1-ND2 3.07Å; N7-K9 PolarHBondContact O-N 3.33Å; N7-K9 VanDerWaalsContact O-N 3.13Å; N7-K10 WeakPolarHBondContact O-CB 3.33Å; N7-K10 PolarHBondContact O-N 2.88Å; N7-H13 WeakPolarHBondContact O-CB 3.39Å |
| 8 | L | 84.4 | Confident | 82.3 | Confident | 92 Ų | 92 | 106.1 Ų | 106.1 | 48% | 0.482 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -65.8 | -14.9 | 174.4 | -73.2 | 94.3 | 0 | 0 | 0 | 113.4 | D5 K10 T16 | D5-L8 HydrophobicContact CB-CD1 3.63Å; D5-L8 PolarHBondContact O-N 2.98Å; D5-L8 WeakPolarHBondContact OD2-CD1 3.46Å; L8-K10 VanDerWaalsContact C-N 3.35Å; L8-T16 VanDerWaalsContact O-CG2 3.31Å; L8-T16 WeakPolarHBondContact O-CG2 3.39Å |
| 9 | K | 85.6 | Confident | 82.9 | Confident | 173 Ų | 173 | 101.2 Ų | 101.2 | 75% | 0.752 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -85.7 | -5.4 | 171.6 | -58.8 | -175.8 | -177.5 | 177 | 0 | 113 | L6 N7 | L6-K9 HydrophobicContact CD1-CD 4.3Å; L6-K9 WeakPolarHBondContact O-CB 3.4Å; L6-K9 PolarHBondContact O-N 3.22Å; N7-K9 PolarHBondContact O-N 3.33Å; N7-K9 VanDerWaalsContact O-N 3.13Å |
| 10 | K | 92.6 | Very high | 83.4 | Confident | 87 Ų | 87 | 100.2 Ų | 100.2 | 38% | 0.378 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -93.3 | 130.5 | -178.1 | -53.9 | -61.2 | -178.7 | 176.8 | 0 | 110.8 | N7 L8 W12 H13 | N7-K10 WeakPolarHBondContact O-CB 3.33Å; N7-K10 PolarHBondContact O-N 2.88Å; L8-K10 VanDerWaalsContact C-N 3.35Å; K10-W12 HydrophobicContact CB-CD2 4.21Å; K10-W12 HydrophobicContact CB-CG 4.39Å; K10-W12 HydrophobicContact CB-CZ2 4.02Å; K10-W12 HydrophobicContact CG-CZ2 4.01Å; K10-W12 PolarHBondContact O-N 3.26Å; K10-W12 VanDerWaalsContact O-N 3.14Å; K10-H13 PolarHBondContact O-N 3.46Å; K10-H13 VanDerWaalsContact O-N 3.1Å |
| 11 | S | 89.1 | Confident | 84 | Confident | 102 Ų | 102 | 99.6 Ų | 99.6 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -20 | -177.6 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | N19 | S11-N19 PolarHBondContact O-ND2 3.46Å; S11-N19 PolarHBondContact O-OD1 3.08Å |
| 12 | W | 92.3 | Very high | 86.2 | Confident | 167 Ų | 167 | 94.6 Ų | 94.6 | 63% | 0.633 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -14.8 | 177.2 | 57.7 | -105.7 | 0 | 0 | 0 | 113.8 | K10 N19 | K10-W12 HydrophobicContact CB-CD2 4.21Å; K10-W12 HydrophobicContact CB-CG 4.39Å; K10-W12 HydrophobicContact CB-CZ2 4.02Å; K10-W12 HydrophobicContact CG-CZ2 4.01Å; K10-W12 PolarHBondContact O-N 3.26Å; K10-W12 VanDerWaalsContact O-N 3.14Å; W12-N19 VanDerWaalsContact C-ND2 3.33Å; W12-N19 PolarHBondContact O-ND2 3.24Å |
| 13 | H | 92.5 | Very high | 88.2 | Confident | 24 Ų | 24 | 94.3 Ų | 94.3 | 11% | 0.111 | 50% | 0.501 | C | S | . | . | trans | -69.7 | 122.5 | -173.2 | -175.6 | 61.1 | 0 | 0 | 0 | 110.9 | N7 K10 Q15 T16 N19 | N7-H13 WeakPolarHBondContact O-CB 3.39Å; K10-H13 PolarHBondContact O-N 3.46Å; K10-H13 VanDerWaalsContact O-N 3.1Å; H13-Q15 PolarHBondContact NE2-OE1 3.41Å; H13-Q15 PolarHBondContact O-N 3.39Å; H13-T16 HydrophobicContact CB-CG2 4.14Å; H13-T16 WeakPolarHBondContact O-CG2 3.19Å; H13-T16 PolarHBondContact O-N 3.04Å; H13-T16 VanDerWaalsContact O-N 3.1Å; H13-T16 PolarHBondContact O-OG1 3.05Å; H13-N19 PolarHBondContact O-ND2 2.95Å | ||
| 14 | P | 91.1 | Very high | 89.9 | Confident | 89 Ų | 89 | 96.8 Ų | 96.8 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24 | -167.9 | 23.7 | -35 | 0 | 0 | 0 | 114 | T16 I20 | P14-T16 VanDerWaalsContact C-N 3.27Å; P14-T16 PolarHBondContact O-N 2.93Å; P14-I20 WeakPolarHBondContact O-CG1 3.39Å |
| 15 | Q | 90.8 | Very high | 90.8 | Very high | 128 Ų | 128 | 99 Ų | 99 | 60% | 0.598 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 1 | 178.1 | -61.9 | 173.9 | -38.7 | 0 | 0 | 113.9 | H13 I20 | H13-Q15 PolarHBondContact NE2-OE1 3.41Å; H13-Q15 PolarHBondContact O-N 3.39Å; Q15-I20 WeakPolarHBondContact O-CD1 3.48Å |
| 16 | T | 90.5 | Very high | 91.5 | Very high | 22 Ų | 22 | 98 Ų | 98 | 14% | 0.135 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -71.7 | 137.3 | 171.6 | 59.2 | 0 | 0 | 0 | 0 | 110.1 | L8 H13 P14 K18 N19 I20 | L8-T16 VanDerWaalsContact O-CG2 3.31Å; L8-T16 WeakPolarHBondContact O-CG2 3.39Å; H13-T16 HydrophobicContact CB-CG2 4.14Å; H13-T16 WeakPolarHBondContact O-CG2 3.19Å; H13-T16 PolarHBondContact O-N 3.04Å; H13-T16 VanDerWaalsContact O-N 3.1Å; H13-T16 PolarHBondContact O-OG1 3.05Å; P14-T16 VanDerWaalsContact C-N 3.27Å; P14-T16 PolarHBondContact O-N 2.93Å; T16-K18 PolarHBondContact O-N 3.15Å; T16-K18 VanDerWaalsContact O-N 3.11Å; T16-N19 WeakPolarHBondContact O-CA 3.36Å; T16-N19 WeakPolarHBondContact O-CB 3.48Å; T16-N19 PolarHBondContact O-N 3.41Å; T16-N19 WeakPolarHBondContact OG1-CB 3.46Å; T16-N19 PolarHBondContact OG1-ND2 3.31Å; T16-N19 VanDerWaalsContact OG1-ND2 3.16Å; T16-I20 PolarHBondContact O-N 3.34Å |
| 17 | M | 91.4 | Very high | 91.9 | Very high | 133 Ų | 133 | 98.1 Ų | 98.1 | 66% | 0.655 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -49.7 | -42.9 | -177.4 | -65.6 | -59.9 | -67.3 | 0 | 0 | 112.8 | N19 I20 E21 | M17-N19 VanDerWaalsContact C-N 3.26Å; M17-N19 PolarHBondContact O-N 3.22Å; M17-I20 PolarHBondContact O-N 3.16Å; M17-I20 HydrophobicContact SD-CD1 4.45Å; M17-E21 WeakPolarHBondContact O-CB 3.47Å; M17-E21 WeakPolarHBondContact O-CG 3.45Å; M17-E21 PolarHBondContact O-N 2.97Å |
| 18 | K | 92.5 | Very high | 92.4 | Very high | 156 Ų | 156 | 99 Ų | 99 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -27.5 | 177.7 | -63.5 | -176.6 | 178.2 | -178.6 | 0 | 114.1 | T16 R22 | T16-K18 PolarHBondContact O-N 3.15Å; T16-K18 VanDerWaalsContact O-N 3.11Å; K18-R22 PolarHBondContact O-N 3.4Å; K18-R22 PolarHBondContact O-NE 2.96Å; K18-R22 PolarHBondContact O-NH2 3.3Å |
| 19 | N | 92.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 101.6 Ų | 101.6 | 8% | 0.075 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -85.2 | -42.2 | 176.2 | -70.7 | -5.6 | 0 | 0 | 0 | 110.6 | S11 W12 H13 T16 M17 E21 R22 V23 | S11-N19 PolarHBondContact O-ND2 3.46Å; S11-N19 PolarHBondContact O-OD1 3.08Å; W12-N19 VanDerWaalsContact C-ND2 3.33Å; W12-N19 PolarHBondContact O-ND2 3.24Å; H13-N19 PolarHBondContact O-ND2 2.95Å; T16-N19 WeakPolarHBondContact O-CA 3.36Å; T16-N19 WeakPolarHBondContact O-CB 3.48Å; T16-N19 PolarHBondContact O-N 3.41Å; T16-N19 WeakPolarHBondContact OG1-CB 3.46Å; T16-N19 PolarHBondContact OG1-ND2 3.31Å; T16-N19 VanDerWaalsContact OG1-ND2 3.16Å; M17-N19 VanDerWaalsContact C-N 3.26Å; M17-N19 PolarHBondContact O-N 3.22Å; N19-E21 VanDerWaalsContact C-N 3.34Å; N19-E21 PolarHBondContact O-N 3.02Å; N19-R22 PolarHBondContact O-N 2.97Å; N19-R22 VanDerWaalsContact O-N 3.1Å; N19-R22 PolarHBondContact OD1-NH1 3.44Å; N19-R22 PolarHBondContact OD1-NH2 3.41Å; N19-V23 WeakPolarHBondContact O-CG2 3.29Å; N19-V23 PolarHBondContact O-N 3.19Å |
| 20 | I | 93.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 42% | 0.415 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.4 | -48.1 | 173.1 | -60.9 | 170.5 | 0 | 0 | 0 | 110.5 | P14 Q15 T16 M17 R22 V23 W24 | P14-I20 WeakPolarHBondContact O-CG1 3.39Å; Q15-I20 WeakPolarHBondContact O-CD1 3.48Å; T16-I20 PolarHBondContact O-N 3.34Å; M17-I20 PolarHBondContact O-N 3.16Å; M17-I20 HydrophobicContact SD-CD1 4.45Å; I20-R22 VanDerWaalsContact C-N 3.31Å; I20-R22 PolarHBondContact O-N 3Å; I20-V23 PolarHBondContact O-N 3.05Å; I20-W24 WeakPolarHBondContact O-CB 3.38Å; I20-W24 PolarHBondContact O-N 3.14Å |
| 21 | E | 94.8 | Very high | 93.1 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 41% | 0.407 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -36.2 | 175.3 | -76 | 174.9 | -134.2 | 0 | 0 | 113.5 | M17 N19 K25 | M17-E21 WeakPolarHBondContact O-CB 3.47Å; M17-E21 WeakPolarHBondContact O-CG 3.45Å; M17-E21 PolarHBondContact O-N 2.97Å; N19-E21 VanDerWaalsContact C-N 3.34Å; N19-E21 PolarHBondContact O-N 3.02Å; E21-K25 WeakPolarHBondContact O-CB 3.46Å; E21-K25 WeakPolarHBondContact O-CD 3.47Å; E21-K25 VanDerWaalsContact O-CG 3.24Å; E21-K25 WeakPolarHBondContact O-CG 3.45Å; E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 IonicContact OE2-NZ 3.58Å |
| 22 | R | 95.5 | Very high | 93.3 | Very high | 148 Ų | 148 | 98.5 Ų | 98.5 | 56% | 0.558 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71 | -40.1 | 178.2 | -92.7 | -173.5 | -94.7 | 110.1 | 5.4 | 111.7 | K18 N19 I20 A26 | K18-R22 PolarHBondContact O-N 3.4Å; K18-R22 PolarHBondContact O-NE 2.96Å; K18-R22 PolarHBondContact O-NH2 3.3Å; N19-R22 PolarHBondContact O-N 2.97Å; N19-R22 VanDerWaalsContact O-N 3.1Å; N19-R22 PolarHBondContact OD1-NH1 3.44Å; N19-R22 PolarHBondContact OD1-NH2 3.41Å; I20-R22 VanDerWaalsContact C-N 3.31Å; I20-R22 PolarHBondContact O-N 3Å; R22-A26 PolarHBondContact O-N 2.94Å; R22-A26 VanDerWaalsContact O-N 3.11Å |
| 23 | V | 96 | Very high | 93.3 | Very high | 78 Ų | 78 | 96.3 Ų | 96.3 | 47% | 0.473 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -50.6 | 172.9 | 173 | 0 | 0 | 0 | 0 | 109.9 | N19 I20 K25 A26 E27 | N19-V23 WeakPolarHBondContact O-CG2 3.29Å; N19-V23 PolarHBondContact O-N 3.19Å; I20-V23 PolarHBondContact O-N 3.05Å; V23-K25 VanDerWaalsContact C-N 3.35Å; V23-K25 PolarHBondContact O-N 3.44Å; V23-A26 CarbonylContact O-C 3.48Å; V23-A26 WeakPolarHBondContact O-CA 3.45Å; V23-A26 WeakPolarHBondContact O-CB 3.4Å; V23-A26 PolarHBondContact O-N 3.19Å; V23-E27 HydrophobicContact CG1-CG 4.2Å; V23-E27 WeakPolarHBondContact CG1-OE1 3.47Å; V23-E27 WeakPolarHBondContact O-CG 3.48Å; V23-E27 PolarHBondContact O-N 3.24Å |
| 24 | W | 94.9 | Very high | 93.2 | Very high | 139 Ų | 139 | 101.8 Ų | 101.8 | 53% | 0.527 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 178.3 | 179.9 | 72.2 | 0 | 0 | 0 | 113 | I20 A26 E27 Q28 | I20-W24 WeakPolarHBondContact O-CB 3.38Å; I20-W24 PolarHBondContact O-N 3.14Å; W24-A26 VanDerWaalsContact C-N 3.28Å; W24-A26 PolarHBondContact O-N 2.89Å; W24-E27 PolarHBondContact O-N 3.43Å; W24-Q28 HydrophobicContact CD2-CG 4.23Å; W24-Q28 HydrophobicContact CZ2-CG 3.91Å; W24-Q28 WeakPolarHBondContact O-CB 3.49Å; W24-Q28 WeakPolarHBondContact O-CG 3.49Å; W24-Q28 PolarHBondContact O-N 3.29Å |
| 25 | K | 96.1 | Very high | 93.4 | Very high | 110 Ų | 110 | 104.3 Ų | 104.3 | 48% | 0.478 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -27.5 | 174.3 | -75.7 | 166.5 | -177.4 | 160.7 | 0 | 113.2 | E21 V23 K29 | E21-K25 WeakPolarHBondContact O-CB 3.46Å; E21-K25 WeakPolarHBondContact O-CD 3.47Å; E21-K25 VanDerWaalsContact O-CG 3.24Å; E21-K25 WeakPolarHBondContact O-CG 3.45Å; E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 IonicContact OE2-NZ 3.58Å; V23-K25 VanDerWaalsContact C-N 3.35Å; V23-K25 PolarHBondContact O-N 3.44Å; K25-K29 WeakPolarHBondContact O-CG 3.38Å; K25-K29 PolarHBondContact O-N 2.99Å |
| 26 | A | 95.1 | Very high | 93.5 | Very high | 57 Ų | 57 | 104.5 Ų | 104.5 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -78.6 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R22 V23 W24 K29 Y30 | R22-A26 PolarHBondContact O-N 2.94Å; R22-A26 VanDerWaalsContact O-N 3.11Å; V23-A26 CarbonylContact O-C 3.48Å; V23-A26 WeakPolarHBondContact O-CA 3.45Å; V23-A26 WeakPolarHBondContact O-CB 3.4Å; V23-A26 PolarHBondContact O-N 3.19Å; W24-A26 VanDerWaalsContact C-N 3.28Å; W24-A26 PolarHBondContact O-N 2.89Å; A26-K29 PolarHBondContact O-N 3.29Å; A26-Y30 WeakPolarHBondContact O-CB 3.22Å; A26-Y30 PolarHBondContact O-N 2.83Å |
| 27 | E | 93.7 | Very high | 93.2 | Very high | 107 Ų | 107 | 107.8 Ų | 107.8 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 174.9 | -70.7 | 172.2 | 163.2 | 0 | 0 | 111.3 | V23 W24 K29 Y30 E31 | V23-E27 HydrophobicContact CG1-CG 4.2Å; V23-E27 WeakPolarHBondContact CG1-OE1 3.47Å; V23-E27 WeakPolarHBondContact O-CG 3.48Å; V23-E27 PolarHBondContact O-N 3.24Å; W24-E27 PolarHBondContact O-N 3.43Å; E27-K29 VanDerWaalsContact C-N 3.33Å; E27-K29 PolarHBondContact O-N 3.37Å; E27-Y30 PolarHBondContact O-N 3.05Å; E27-Y30 VanDerWaalsContact O-N 3.17Å; E27-E31 WeakPolarHBondContact O-CG 3.36Å; E27-E31 PolarHBondContact O-N 3.15Å |
| 28 | Q | 94.8 | Very high | 93.2 | Very high | 85 Ų | 85 | 106.9 Ų | 106.9 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 176.9 | -75 | -59.9 | -67.5 | 0 | 0 | 113.3 | W24 E31 A32 | W24-Q28 HydrophobicContact CD2-CG 4.23Å; W24-Q28 HydrophobicContact CZ2-CG 3.91Å; W24-Q28 WeakPolarHBondContact O-CB 3.49Å; W24-Q28 WeakPolarHBondContact O-CG 3.49Å; W24-Q28 PolarHBondContact O-N 3.29Å; Q28-E31 PolarHBondContact NE2-OE2 3.14Å; Q28-A32 PolarHBondContact O-N 2.88Å; Q28-A32 VanDerWaalsContact O-N 3.11Å |
| 29 | K | 93.6 | Very high | 93.2 | Very high | 146 Ų | 146 | 105.2 Ų | 105.2 | 64% | 0.635 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.6 | -45 | 173.2 | -75.6 | 177.6 | 178.3 | -169.6 | 0 | 111.6 | K25 A26 E27 E31 A32 E33 | K25-K29 WeakPolarHBondContact O-CG 3.38Å; K25-K29 PolarHBondContact O-N 2.99Å; A26-K29 PolarHBondContact O-N 3.29Å; E27-K29 VanDerWaalsContact C-N 3.33Å; E27-K29 PolarHBondContact O-N 3.37Å; K29-E31 VanDerWaalsContact C-N 3.34Å; K29-E31 PolarHBondContact O-N 2.97Å; K29-A32 PolarHBondContact O-N 3.01Å; K29-E33 WeakPolarHBondContact O-CG 3.43Å; K29-E33 PolarHBondContact O-N 3.17Å |
| 30 | Y | 93.4 | Very high | 93 | Very high | 152 Ų | 152 | 108.5 Ų | 108.5 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 177.8 | -179.4 | -102.3 | 0 | 0 | 0 | 112.2 | A26 E27 E33 R34 | A26-Y30 WeakPolarHBondContact O-CB 3.22Å; A26-Y30 PolarHBondContact O-N 2.83Å; E27-Y30 PolarHBondContact O-N 3.05Å; E27-Y30 VanDerWaalsContact O-N 3.17Å; Y30-E33 PolarHBondContact O-N 3.41Å; Y30-R34 VanDerWaalsContact O-CB 3.28Å; Y30-R34 WeakPolarHBondContact O-CB 3.48Å; Y30-R34 PolarHBondContact O-N 3.27Å |
| 31 | E | 90.3 | Very high | 92.5 | Very high | 85 Ų | 85 | 109.4 Ų | 109.4 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 173.7 | -74.9 | -178.4 | 170.9 | 0 | 0 | 112.4 | E27 Q28 K29 R34 K35 | E27-E31 WeakPolarHBondContact O-CG 3.36Å; E27-E31 PolarHBondContact O-N 3.15Å; Q28-E31 PolarHBondContact NE2-OE2 3.14Å; K29-E31 VanDerWaalsContact C-N 3.34Å; K29-E31 PolarHBondContact O-N 2.97Å; E31-R34 PolarHBondContact O-N 3.15Å; E31-K35 WeakPolarHBondContact O-CG 3.4Å; E31-K35 PolarHBondContact O-N 3.28Å |
| 32 | A | 93.9 | Very high | 92.3 | Very high | 61 Ų | 61 | 111.2 Ų | 111.2 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q28 K29 K35 K36 | Q28-A32 PolarHBondContact O-N 2.88Å; Q28-A32 VanDerWaalsContact O-N 3.11Å; K29-A32 PolarHBondContact O-N 3.01Å; A32-K35 PolarHBondContact O-N 3.33Å; A32-K36 WeakPolarHBondContact O-CB 3.49Å; A32-K36 PolarHBondContact O-N 3.02Å |
| 33 | E | 91.9 | Very high | 91.8 | Very high | 121 Ų | 121 | 109.3 Ų | 109.3 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 173.5 | -73.7 | 173.6 | -167.1 | 0 | 0 | 111.5 | K29 Y30 K35 K36 I37 | K29-E33 WeakPolarHBondContact O-CG 3.43Å; K29-E33 PolarHBondContact O-N 3.17Å; Y30-E33 PolarHBondContact O-N 3.41Å; E33-K35 PolarHBondContact O-N 2.89Å; E33-K36 PolarHBondContact O-N 2.79Å; E33-I37 WeakPolarHBondContact O-CD1 3.38Å; E33-I37 VanDerWaalsContact O-CG1 3.25Å; E33-I37 WeakPolarHBondContact O-CG1 3.44Å; E33-I37 PolarHBondContact O-N 3.17Å |
| 34 | R | 90.9 | Very high | 91 | Very high | 139 Ų | 139 | 109.8 Ų | 109.8 | 53% | 0.525 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 178.5 | -160.3 | -170.4 | 91 | -166.1 | 7 | 112 | Y30 E31 I37 E38 | Y30-R34 VanDerWaalsContact O-CB 3.28Å; Y30-R34 WeakPolarHBondContact O-CB 3.48Å; Y30-R34 PolarHBondContact O-N 3.27Å; E31-R34 PolarHBondContact O-N 3.15Å; R34-I37 PolarHBondContact O-N 2.89Å; R34-E38 WeakPolarHBondContact O-CB 3.42Å; R34-E38 PolarHBondContact O-N 3.02Å |
| 35 | K | 94 | Very high | 90.2 | Very high | 141 Ų | 141 | 109.2 Ų | 109.2 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 175.1 | -76.3 | 176.1 | 179.3 | 177.3 | 0 | 111.6 | E31 A32 E33 I37 E38 E39 | E31-K35 WeakPolarHBondContact O-CG 3.4Å; E31-K35 PolarHBondContact O-N 3.28Å; A32-K35 PolarHBondContact O-N 3.33Å; E33-K35 PolarHBondContact O-N 2.89Å; K35-I37 VanDerWaalsContact C-N 3.33Å; K35-I37 PolarHBondContact O-N 3.49Å; K35-E38 WeakPolarHBondContact O-CB 3.43Å; K35-E38 PolarHBondContact O-N 2.84Å; K35-E39 WeakPolarHBondContact O-CB 3.39Å; K35-E39 PolarHBondContact O-N 2.99Å |
| 36 | K | 94.5 | Very high | 89.5 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | 176.8 | -173.1 | 170.1 | -175.1 | 170.8 | 0 | 112.7 | A32 E33 L40 | A32-K36 WeakPolarHBondContact O-CB 3.49Å; A32-K36 PolarHBondContact O-N 3.02Å; E33-K36 PolarHBondContact O-N 2.79Å; K36-L40 HydrophobicContact CG-CD1 4.35Å; K36-L40 WeakPolarHBondContact O-CB 3.43Å; K36-L40 VanDerWaalsContact O-CG 3.29Å; K36-L40 WeakPolarHBondContact O-CG 3.42Å; K36-L40 PolarHBondContact O-N 2.69Å |
| 37 | I | 83.9 | Confident | 88.7 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 174.4 | -68.5 | 162.6 | 0 | 0 | 0 | 110.9 | E33 R34 K35 Q41 | E33-I37 WeakPolarHBondContact O-CD1 3.38Å; E33-I37 VanDerWaalsContact O-CG1 3.25Å; E33-I37 WeakPolarHBondContact O-CG1 3.44Å; E33-I37 PolarHBondContact O-N 3.17Å; R34-I37 PolarHBondContact O-N 2.89Å; K35-I37 VanDerWaalsContact C-N 3.33Å; K35-I37 PolarHBondContact O-N 3.49Å; I37-Q41 HydrophobicContact CG2-CG 4.46Å; I37-Q41 WeakPolarHBondContact O-CB 3.44Å; I37-Q41 VanDerWaalsContact O-CG 3.25Å; I37-Q41 WeakPolarHBondContact O-CG 3.33Å; I37-Q41 PolarHBondContact O-N 2.62Å |
| 38 | E | 92 | Very high | 88.1 | Confident | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 176.9 | -177.4 | 166.6 | -160.4 | 0 | 0 | 112 | R34 K35 Q41 K42 | R34-E38 WeakPolarHBondContact O-CB 3.42Å; R34-E38 PolarHBondContact O-N 3.02Å; K35-E38 WeakPolarHBondContact O-CB 3.43Å; K35-E38 PolarHBondContact O-N 2.84Å; E38-Q41 PolarHBondContact O-N 3.1Å; E38-K42 WeakPolarHBondContact O-CB 3.4Å; E38-K42 PolarHBondContact O-N 2.95Å |
| 39 | E | 91.7 | Very high | 87.3 | Confident | 121 Ų | 121 | 108.4 Ų | 108.4 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -53.5 | 172.2 | -175.7 | 169.3 | -134.1 | 0 | 0 | 111.7 | K35 Q41 K42 E43 | K35-E39 WeakPolarHBondContact O-CB 3.39Å; K35-E39 PolarHBondContact O-N 2.99Å; E39-Q41 VanDerWaalsContact C-N 3.27Å; E39-Q41 PolarHBondContact O-N 2.97Å; E39-K42 CarbonylContact O-C 3.57Å; E39-K42 WeakPolarHBondContact O-CA 3.33Å; E39-K42 VanDerWaalsContact O-CB 3.27Å; E39-K42 WeakPolarHBondContact O-CB 3.47Å; E39-K42 PolarHBondContact O-N 3.43Å; E39-E43 PolarHBondContact O-N 2.97Å |
| 40 | L | 88.3 | Confident | 86.3 | Confident | 84 Ų | 84 | 109.5 Ų | 109.5 | 44% | 0.44 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.5 | -36.6 | 174.7 | -71.4 | 166.8 | 0 | 0 | 0 | 112.7 | K36 K42 L44 | K36-L40 HydrophobicContact CG-CD1 4.35Å; K36-L40 WeakPolarHBondContact O-CB 3.43Å; K36-L40 VanDerWaalsContact O-CG 3.29Å; K36-L40 WeakPolarHBondContact O-CG 3.42Å; K36-L40 PolarHBondContact O-N 2.69Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 WeakPolarHBondContact O-CG 3.21Å; L40-L44 PolarHBondContact O-N 2.89Å |
| 41 | Q | 82.6 | Confident | 85.6 | Confident | 100 Ų | 100 | 107.4 Ų | 107.4 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70 | -25.8 | 173.6 | -78.3 | -177.8 | 25.5 | 0 | 0 | 113.2 | I37 E38 E39 K45 | I37-Q41 HydrophobicContact CG2-CG 4.46Å; I37-Q41 WeakPolarHBondContact O-CB 3.44Å; I37-Q41 VanDerWaalsContact O-CG 3.25Å; I37-Q41 WeakPolarHBondContact O-CG 3.33Å; I37-Q41 PolarHBondContact O-N 2.62Å; E38-Q41 PolarHBondContact O-N 3.1Å; E39-Q41 VanDerWaalsContact C-N 3.27Å; E39-Q41 PolarHBondContact O-N 2.97Å; Q41-K45 VanDerWaalsContact O-CD 3.27Å; Q41-K45 WeakPolarHBondContact O-CD 3.47Å; Q41-K45 WeakPolarHBondContact O-CG 3.26Å; Q41-K45 PolarHBondContact O-N 3.27Å |
| 42 | K | 91.5 | Very high | 85.1 | Confident | 125 Ų | 125 | 109.1 Ų | 109.1 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.1 | -47 | 174 | -169.6 | -173.7 | 178.2 | -104.5 | 0 | 109.7 | E38 E39 L40 L44 K45 E46 | E38-K42 WeakPolarHBondContact O-CB 3.4Å; E38-K42 PolarHBondContact O-N 2.95Å; E39-K42 CarbonylContact O-C 3.57Å; E39-K42 WeakPolarHBondContact O-CA 3.33Å; E39-K42 VanDerWaalsContact O-CB 3.27Å; E39-K42 WeakPolarHBondContact O-CB 3.47Å; E39-K42 PolarHBondContact O-N 3.43Å; L40-K42 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 3.05Å; K42-K45 WeakPolarHBondContact O-CA 3.43Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 3.24Å; K42-E46 WeakPolarHBondContact CE-OE1 3.09Å; K42-E46 IonicContact NZ-OE1 2.76Å; K42-E46 PolarHBondContact NZ-OE1 2.95Å; K42-E46 WeakPolarHBondContact O-CG 3.46Å; K42-E46 PolarHBondContact O-N 3.42Å |
| 43 | E | 83.9 | Confident | 84.4 | Confident | 107 Ų | 107 | 110.4 Ų | 110.4 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.6 | -50.8 | 173.2 | -68.2 | 178.2 | 157.6 | 0 | 0 | 111.3 | E39 K45 E46 E47 | E39-E43 PolarHBondContact O-N 2.97Å; E43-K45 PolarHBondContact O-N 3.34Å; E43-K45 VanDerWaalsContact O-N 3.12Å; E43-E46 PolarHBondContact O-N 3.46Å; E43-E47 WeakPolarHBondContact O-CB 3.43Å; E43-E47 PolarHBondContact O-N 3.44Å |
| 44 | L | 78.9 | Confident | 83.6 | Confident | 88 Ų | 88 | 108.2 Ų | 108.2 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -17 | 175.2 | -79 | 166.8 | 0 | 0 | 0 | 115.1 | L40 K42 R48 | L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 WeakPolarHBondContact O-CG 3.21Å; L40-L44 PolarHBondContact O-N 2.89Å; K42-L44 PolarHBondContact O-N 3.05Å; L44-R48 WeakPolarHBondContact O-CB 3.41Å; L44-R48 PolarHBondContact O-NH1 2.98Å; L44-R48 VanDerWaalsContact O-NH1 3.1Å |
| 45 | K | 80.1 | Confident | 83.1 | Confident | 127 Ų | 127 | 110 Ų | 110 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -88.3 | -39 | 171.8 | -75.1 | 165 | -169.6 | 160.6 | 0 | 110.9 | Q41 K42 E43 A49 | Q41-K45 VanDerWaalsContact O-CD 3.27Å; Q41-K45 WeakPolarHBondContact O-CD 3.47Å; Q41-K45 WeakPolarHBondContact O-CG 3.26Å; Q41-K45 PolarHBondContact O-N 3.27Å; K42-K45 WeakPolarHBondContact O-CA 3.43Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 3.24Å; E43-K45 PolarHBondContact O-N 3.34Å; E43-K45 VanDerWaalsContact O-N 3.12Å; K45-A49 VanDerWaalsContact O-CB 3.27Å; K45-A49 WeakPolarHBondContact O-CB 3.36Å; K45-A49 PolarHBondContact O-N 3.41Å |
| 46 | E | 80.4 | Confident | 82.3 | Confident | 76 Ų | 76 | 104.4 Ų | 104.4 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 176.3 | -69.9 | 179.8 | -163.8 | 0 | 0 | 111.7 | K42 E43 A49 R50 | K42-E46 WeakPolarHBondContact CE-OE1 3.09Å; K42-E46 IonicContact NZ-OE1 2.76Å; K42-E46 PolarHBondContact NZ-OE1 2.95Å; K42-E46 WeakPolarHBondContact O-CG 3.46Å; K42-E46 PolarHBondContact O-N 3.42Å; E43-E46 PolarHBondContact O-N 3.46Å; E46-A49 PolarHBondContact O-N 3.42Å; E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 2.99Å |
| 47 | E | 79.1 | Confident | 81.5 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.3 | -56.3 | 171.1 | -178.3 | 179.8 | -137.6 | 0 | 0 | 110.7 | E43 A49 R50 E51 | E43-E47 WeakPolarHBondContact O-CB 3.43Å; E43-E47 PolarHBondContact O-N 3.44Å; E47-A49 VanDerWaalsContact C-N 3.25Å; E47-A49 PolarHBondContact O-N 3.5Å; E47-R50 WeakPolarHBondContact O-CA 3.16Å; E47-R50 WeakPolarHBondContact O-CB 3.23Å; E47-R50 PolarHBondContact O-N 3.04Å; E47-E51 WeakPolarHBondContact O-CG 3.25Å; E47-E51 PolarHBondContact O-N 3.44Å |
| 48 | R | 79.7 | Confident | 81.3 | Confident | 123 Ų | 123 | 96.3 Ų | 96.3 | 46% | 0.464 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.9 | -38.3 | 176.2 | -175.1 | -179 | -63.3 | 92.5 | 9.9 | 112.3 | L44 R50 E51 E52 | L44-R48 WeakPolarHBondContact O-CB 3.41Å; L44-R48 PolarHBondContact O-NH1 2.98Å; L44-R48 VanDerWaalsContact O-NH1 3.1Å; R48-R50 VanDerWaalsContact C-N 3.35Å; R48-E51 PolarHBondContact O-N 3.31Å; R48-E52 WeakPolarHBondContact CD-OE1 3.22Å; R48-E52 HydrophobicContact CG-CG 4.28Å; R48-E52 WeakPolarHBondContact CG-OE1 3.42Å; R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 VanDerWaalsContact O-CG 3.27Å; R48-E52 WeakPolarHBondContact O-CG 3.5Å; R48-E52 PolarHBondContact O-N 2.94Å |
| 49 | A | 79.1 | Confident | 80.5 | Confident | 42 Ų | 42 | 96.4 Ų | 96.4 | 35% | 0.347 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K45 E46 E47 I53 | K45-A49 VanDerWaalsContact O-CB 3.27Å; K45-A49 WeakPolarHBondContact O-CB 3.36Å; K45-A49 PolarHBondContact O-N 3.41Å; E46-A49 PolarHBondContact O-N 3.42Å; E47-A49 VanDerWaalsContact C-N 3.25Å; E47-A49 PolarHBondContact O-N 3.5Å; A49-I53 WeakPolarHBondContact O-CD1 3.32Å; A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.48Å; A49-I53 PolarHBondContact O-N 3.2Å |
| 50 | R | 71.3 | Confident | 79.8 | Confident | 170 Ų | 170 | 94.1 Ų | 94.1 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.8 | -47.2 | 171.6 | -71.5 | 174.4 | -177.3 | 141.4 | 4.5 | 111.2 | E46 E47 R48 E52 I53 T54 | E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 2.99Å; E47-R50 WeakPolarHBondContact O-CA 3.16Å; E47-R50 WeakPolarHBondContact O-CB 3.23Å; E47-R50 PolarHBondContact O-N 3.04Å; R48-R50 VanDerWaalsContact C-N 3.35Å; R50-E52 VanDerWaalsContact C-N 3.31Å; R50-E52 PolarHBondContact O-N 3Å; R50-I53 PolarHBondContact O-N 3.01Å; R50-I53 VanDerWaalsContact O-N 3.15Å; R50-T54 PolarHBondContact O-N 3.05Å; R50-T54 PolarHBondContact O-OG1 3.24Å |
| 51 | E | 79 | Confident | 78.9 | Confident | 108 Ų | 108 | 93 Ų | 93 | 51% | 0.505 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 175.3 | -68.6 | -179.2 | 156.8 | 0 | 0 | 112.3 | E47 R48 I53 T54 R55 | E47-E51 WeakPolarHBondContact O-CG 3.25Å; E47-E51 PolarHBondContact O-N 3.44Å; R48-E51 PolarHBondContact O-N 3.31Å; E51-I53 VanDerWaalsContact C-N 3.32Å; E51-I53 PolarHBondContact O-N 3Å; E51-T54 WeakPolarHBondContact CA-OG1 3.41Å; E51-T54 PolarHBondContact O-N 2.99Å; E51-T54 PolarHBondContact O-OG1 2.95Å; E51-T54 VanDerWaalsContact O-OG1 3.11Å; E51-R55 WeakPolarHBondContact O-CB 3.28Å; E51-R55 PolarHBondContact O-N 3.29Å |
| 52 | E | 80.5 | Confident | 78.2 | Confident | 121 Ų | 121 | 91.7 Ų | 91.7 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.8 | -36.2 | 176.8 | -78.8 | 172.1 | -172.5 | 0 | 0 | 111.6 | R48 R50 Y56 | R48-E52 WeakPolarHBondContact CD-OE1 3.22Å; R48-E52 HydrophobicContact CG-CG 4.28Å; R48-E52 WeakPolarHBondContact CG-OE1 3.42Å; R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 VanDerWaalsContact O-CG 3.27Å; R48-E52 WeakPolarHBondContact O-CG 3.5Å; R48-E52 PolarHBondContact O-N 2.94Å; R50-E52 VanDerWaalsContact C-N 3.31Å; R50-E52 PolarHBondContact O-N 3Å; E52-Y56 WeakPolarHBondContact O-CB 3.42Å; E52-Y56 PolarHBondContact O-N 3.38Å |
| 53 | I | 78.8 | Confident | 76.9 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 45% | 0.451 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.8 | -46.2 | 175.5 | -67.4 | 164.1 | 0 | 0 | 0 | 111.5 | A49 R50 E51 Y56 A57 I134 | A49-I53 WeakPolarHBondContact O-CD1 3.32Å; A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.48Å; A49-I53 PolarHBondContact O-N 3.2Å; R50-I53 PolarHBondContact O-N 3.01Å; R50-I53 VanDerWaalsContact O-N 3.15Å; E51-I53 VanDerWaalsContact C-N 3.32Å; E51-I53 PolarHBondContact O-N 3Å; I53-Y56 PolarHBondContact O-N 3.45Å; I53-A57 PolarHBondContact O-N 3.21Å; I53-I134 HydrophobicContact CG2-CD1 4.15Å |
| 54 | T | 74.9 | Confident | 76.3 | Confident | 75 Ų | 75 | 92.6 Ų | 92.6 | 46% | 0.46 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 178.6 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | R50 E51 Y56 A57 E58 | R50-T54 PolarHBondContact O-N 3.05Å; R50-T54 PolarHBondContact O-OG1 3.24Å; E51-T54 WeakPolarHBondContact CA-OG1 3.41Å; E51-T54 PolarHBondContact O-N 2.99Å; E51-T54 PolarHBondContact O-OG1 2.95Å; E51-T54 VanDerWaalsContact O-OG1 3.11Å; T54-Y56 VanDerWaalsContact C-N 3.3Å; T54-Y56 PolarHBondContact O-N 3.47Å; T54-A57 PolarHBondContact O-N 2.89Å; T54-A57 VanDerWaalsContact O-N 3.12Å; T54-E58 PolarHBondContact O-N 3.37Å |
| 55 | R | 80.8 | Confident | 76 | Confident | 176 Ų | 176 | 96 Ų | 96 | 66% | 0.664 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.8 | -35.4 | 175.1 | -176.1 | -178.6 | 168.8 | -162 | -4.7 | 112.4 | E51 E58 E59 | E51-R55 WeakPolarHBondContact O-CB 3.28Å; E51-R55 PolarHBondContact O-N 3.29Å; R55-E58 PolarHBondContact O-N 2.92Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.98Å |
| 56 | Y | 76.5 | Confident | 75.4 | Confident | 23 Ų | 23 | 97.6 Ų | 97.6 | 9% | 0.09 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 172.7 | 176.7 | -104.7 | 0 | 0 | 0 | 111.2 | E52 I53 T54 E58 E59 T60 I134 D137 F140 | E52-Y56 WeakPolarHBondContact O-CB 3.42Å; E52-Y56 PolarHBondContact O-N 3.38Å; I53-Y56 PolarHBondContact O-N 3.45Å; T54-Y56 VanDerWaalsContact C-N 3.3Å; T54-Y56 PolarHBondContact O-N 3.47Å; Y56-E58 VanDerWaalsContact C-N 3.27Å; Y56-E58 PolarHBondContact O-N 3.26Å; Y56-E59 PolarHBondContact O-N 3Å; Y56-E59 VanDerWaalsContact O-N 3.13Å; Y56-T60 HydrophobicContact CD1-CG2 4.41Å; Y56-T60 HydrophobicContact CD2-CG2 4.21Å; Y56-T60 HydrophobicContact CE1-CG2 3.91Å; Y56-T60 HydrophobicContact CE2-CG2 3.67Å; Y56-T60 VanDerWaalsContact CZ-CG2 3.49Å; Y56-T60 WeakPolarHBondContact O-CG2 3.4Å; Y56-T60 PolarHBondContact O-N 3.09Å; Y56-T60 PolarHBondContact O-OG1 3.5Å; Y56-T60 VanDerWaalsContact O-OG1 3.08Å; Y56-I134 HydrophobicContact CD1-CG2 3.98Å; Y56-I134 HydrophobicContact CE1-CG2 4.09Å; Y56-D137 PolarHBondContact OH-OD2 3.04Å; Y56-F140 AromaticContact CD1-CD2 4Å; Y56-F140 HydrophobicContact CD1-CD2 4Å; Y56-F140 HydrophobicContact CD1-CE2 4.4Å; Y56-F140 HydrophobicContact CE1-CB 4.08Å; Y56-F140 AromaticContact CE1-CD2 3.58Å; Y56-F140 HydrophobicContact CE1-CD2 3.58Å; Y56-F140 HydrophobicContact CE1-CE2 4.41Å; Y56-F140 HydrophobicContact CE1-CG 4.17Å; Y56-F140 HydrophobicContact CE2-CD2 4.21Å; Y56-F140 HydrophobicContact CG-CD2 4.46Å; Y56-F140 AromaticContact CZ-CD2 3.7Å; Y56-F140 PolarHBondContact OH-N 2.98Å |
| 57 | A | 77.8 | Confident | 74.7 | Confident | 1 Ų | 1 | 100.2 Ų | 100.2 | 1% | 0.008 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.4 | -27.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I53 T54 T60 G61 A62 I63 I134 | I53-A57 PolarHBondContact O-N 3.21Å; T54-A57 PolarHBondContact O-N 2.89Å; T54-A57 VanDerWaalsContact O-N 3.12Å; A57-T60 PolarHBondContact O-OG1 2.9Å; A57-G61 PolarHBondContact O-N 3.24Å; A57-A62 PolarHBondContact O-N 3.38Å; A57-I63 HydrophobicContact CB-CD1 3.52Å; A57-I63 HydrophobicContact CB-CG1 3.81Å; A57-I63 PolarHBondContact O-N 3.43Å; A57-I134 HydrophobicContact CB-CD1 4.04Å |
| 58 | E | 80.1 | Confident | 74.1 | Confident | 52 Ų | 52 | 101.5 Ų | 101.5 | 24% | 0.243 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -75.5 | -39.4 | 168.2 | -68.8 | -176.3 | 175 | 0 | 0 | 113.2 | T54 R55 Y56 T60 G61 K65 | T54-E58 PolarHBondContact O-N 3.37Å; R55-E58 PolarHBondContact O-N 2.92Å; Y56-E58 VanDerWaalsContact C-N 3.27Å; Y56-E58 PolarHBondContact O-N 3.26Å; E58-T60 VanDerWaalsContact C-N 3.34Å; E58-G61 PolarHBondContact O-N 3.22Å; E58-G61 VanDerWaalsContact O-N 3.12Å; E58-K65 HydrophobicContact CB-CG 4.31Å; E58-K65 HydrophobicContact CG-CG 4.2Å; E58-K65 WeakPolarHBondContact OE1-CA 3.24Å; E58-K65 WeakPolarHBondContact OE2-CG 3.44Å |
| 59 | E | 76.1 | Confident | 73.4 | Confident | 116 Ų | 116 | 105.5 Ų | 105.5 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 177.8 | -179.5 | 171.8 | -106.5 | 0 | 0 | 111.5 | R55 Y56 G61 R143 | R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.98Å; Y56-E59 PolarHBondContact O-N 3Å; Y56-E59 VanDerWaalsContact O-N 3.13Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-R143 IonicContact OE2-CZ 3.91Å; E59-R143 IonicContact OE2-NH1 2.92Å; E59-R143 PolarHBondContact OE2-NH1 2.89Å; E59-R143 IonicContact OE2-NH2 3.53Å; E59-R143 PolarHBondContact OE2-NH2 3.43Å |
| 60 | T | 75.6 | Confident | 72.6 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -5.3 | 171.9 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | Y56 A57 E58 A62 | Y56-T60 HydrophobicContact CD1-CG2 4.41Å; Y56-T60 HydrophobicContact CD2-CG2 4.21Å; Y56-T60 HydrophobicContact CE1-CG2 3.91Å; Y56-T60 HydrophobicContact CE2-CG2 3.67Å; Y56-T60 VanDerWaalsContact CZ-CG2 3.49Å; Y56-T60 WeakPolarHBondContact O-CG2 3.4Å; Y56-T60 PolarHBondContact O-N 3.09Å; Y56-T60 PolarHBondContact O-OG1 3.5Å; Y56-T60 VanDerWaalsContact O-OG1 3.08Å; A57-T60 PolarHBondContact O-OG1 2.9Å; E58-T60 VanDerWaalsContact C-N 3.34Å; T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 2.97Å |
| 61 | G | 69.3 | Low | 72.4 | Confident | 62 Ų | 62 | 104 Ų | 104 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 10.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A57 E58 E59 I63 | A57-G61 PolarHBondContact O-N 3.24Å; E58-G61 PolarHBondContact O-N 3.22Å; E58-G61 VanDerWaalsContact O-N 3.12Å; E59-G61 VanDerWaalsContact C-N 3.28Å; G61-I63 VanDerWaalsContact C-N 3.31Å |
| 62 | A | 68.9 | Low | 72.1 | Confident | 72 Ų | 72 | 108.2 Ų | 108.2 | 60% | 0.595 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -70.7 | -26.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A57 T60 | A57-A62 PolarHBondContact O-N 3.38Å; T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 2.97Å |
| 63 | I | 63.6 | Low | 71.3 | Confident | 56 Ų | 56 | 107.4 Ų | 107.4 | 29% | 0.287 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -125.7 | 138.3 | 176.2 | -52.3 | 176.7 | 0 | 0 | 0 | 109.4 | A57 G61 L130 | A57-I63 HydrophobicContact CB-CD1 3.52Å; A57-I63 HydrophobicContact CB-CG1 3.81Å; A57-I63 PolarHBondContact O-N 3.43Å; G61-I63 VanDerWaalsContact C-N 3.31Å; I63-L130 HydrophobicContact CD1-CD2 3.97Å |
| 64 | K | 72.8 | Confident | 70.5 | Confident | 194 Ų | 194 | 111.1 Ų | 111.1 | 84% | 0.843 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 131.9 | 169.5 | -66.7 | -178.3 | -179.1 | 177.5 | 0 | 109.6 | K66 | K64-K66 PolarHBondContact O-N 2.92Š|
| 65 | K | 72.6 | Confident | 70 | Confident | 160 Ų | 160 | 113.1 Ų | 113.1 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 131.8 | 178.8 | -55.8 | -162.9 | 170.1 | -175.6 | 0 | 111.8 | E58 | E58-K65 HydrophobicContact CB-CG 4.31Å; E58-K65 HydrophobicContact CG-CG 4.2Å; E58-K65 WeakPolarHBondContact OE1-CA 3.24Å; E58-K65 WeakPolarHBondContact OE2-CG 3.44Å |
| 66 | K | 66.1 | Low | 68.8 | Low | 161 Ų | 161 | 106.3 Ų | 106.3 | 70% | 0.7 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 138.3 | 172.7 | -64.8 | -173.9 | 175.1 | -175.9 | 0 | 109.7 | K64 D68 | K64-K66 PolarHBondContact O-N 2.92Å; K66-D68 PolarHBondContact O-N 3.29Å |
| 67 | D | 65.3 | Low | 67.9 | Low | 131 Ų | 131 | 111.4 Ų | 111.4 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | trans | -84.9 | 82.2 | 172.7 | -93.8 | -38.2 | 0 | 0 | 0 | 109.6 | R69 L70 | D67-R69 PolarHBondContact O-N 3.04Å; D67-L70 PolarHBondContact O-N 2.87Å | ||
| 68 | D | 67.6 | Low | 66.8 | Low | 127 Ų | 127 | 115.2 Ų | 115.2 | 68% | 0.679 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -51.7 | -24.3 | -179.7 | -57.9 | -28.7 | 0 | 0 | 0 | 113.4 | K66 L70 D71 | K66-D68 PolarHBondContact O-N 3.29Å; D68-L70 PolarHBondContact O-N 2.83Å; D68-D71 PolarHBondContact O-N 3.44Å |
| 69 | R | 64.8 | Low | 65.7 | Low | 207 Ų | 207 | 113.9 Ų | 113.9 | 78% | 0.781 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.3 | -24.4 | 175.7 | -177.7 | 175 | 177 | -176.9 | -1.1 | 113.9 | D67 W72 | D67-R69 PolarHBondContact O-N 3.04Å; R69-W72 VanDerWaalsContact O-CD1 3.29Å; R69-W72 PolarHBondContact O-NE1 3.35Å |
| 70 | L | 62.3 | Low | 64.4 | Low | 70 Ų | 70 | 116.7 Ų | 116.7 | 37% | 0.366 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -99.7 | -22.3 | -176 | -94.3 | 57.9 | 0 | 0 | 0 | 112.7 | D67 D68 W72 M73 Y74 | D67-L70 PolarHBondContact O-N 2.87Å; D68-L70 PolarHBondContact O-N 2.83Å; L70-W72 PolarHBondContact O-N 3.4Å; L70-M73 HydrophobicContact CG-CE 4.34Å; L70-M73 WeakPolarHBondContact O-CA 3.47Å; L70-M73 WeakPolarHBondContact O-CB 3.48Å; L70-M73 PolarHBondContact O-N 2.95Å; L70-Y74 HydrophobicContact CB-CD2 3.95Å; L70-Y74 HydrophobicContact CB-CE2 3.86Å; L70-Y74 HydrophobicContact CD2-CE2 3.87Å; L70-Y74 HydrophobicContact CG-CD2 4.43Å; L70-Y74 HydrophobicContact CG-CE2 3.84Å; L70-Y74 VanDerWaalsContact O-CD2 3.26Å; L70-Y74 WeakPolarHBondContact O-CD2 3.47Å; L70-Y74 PolarHBondContact O-N 3.14Å; L70-Y74 VanDerWaalsContact O-N 3.1Å |
| 71 | D | 67.6 | Low | 63.4 | Low | 110 Ų | 110 | 116.3 Ų | 116.3 | 59% | 0.588 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.6 | -46.2 | -168.6 | -146.3 | 39.8 | 0 | 0 | 0 | 112.4 | D68 M73 Y74 Q75 | D68-D71 PolarHBondContact O-N 3.44Å; D71-M73 PolarHBondContact O-N 3.22Å; D71-M73 VanDerWaalsContact O-N 3.07Å; D71-Y74 PolarHBondContact O-N 3.43Å; D71-Y74 VanDerWaalsContact O-N 3.14Å; D71-Q75 PolarHBondContact O-N 2.94Å |
| 72 | W | 72.9 | Confident | 62.8 | Low | 197 Ų | 197 | 115.3 Ų | 115.3 | 75% | 0.746 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.6 | -17.8 | 175.2 | 74.5 | -84 | 0 | 0 | 0 | 114.5 | R69 L70 | R69-W72 VanDerWaalsContact O-CD1 3.29Å; R69-W72 PolarHBondContact O-NE1 3.35Å; L70-W72 PolarHBondContact O-N 3.4Å |
| 73 | M | 62.3 | Low | 62.4 | Low | 104 Ų | 104 | 121.3 Ų | 121.3 | 51% | 0.512 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -93.6 | -30.3 | 178.2 | -173.6 | -172.8 | 72.1 | 0 | 0 | 112 | L70 D71 | L70-M73 HydrophobicContact CG-CE 4.34Å; L70-M73 WeakPolarHBondContact O-CA 3.47Å; L70-M73 WeakPolarHBondContact O-CB 3.48Å; L70-M73 PolarHBondContact O-N 2.95Å; D71-M73 PolarHBondContact O-N 3.22Å; D71-M73 VanDerWaalsContact O-N 3.07Å |
| 74 | Y | 63 | Low | 62.3 | Low | 167 Ų | 167 | 124.1 Ų | 124.1 | 66% | 0.655 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -87.3 | -9.7 | 173.8 | -69.6 | -74.5 | 0 | 0 | 0 | 113.5 | L70 D71 G76 | L70-Y74 HydrophobicContact CB-CD2 3.95Å; L70-Y74 HydrophobicContact CB-CE2 3.86Å; L70-Y74 HydrophobicContact CD2-CE2 3.87Å; L70-Y74 HydrophobicContact CG-CD2 4.43Å; L70-Y74 HydrophobicContact CG-CE2 3.84Å; L70-Y74 VanDerWaalsContact O-CD2 3.26Å; L70-Y74 WeakPolarHBondContact O-CD2 3.47Å; L70-Y74 PolarHBondContact O-N 3.14Å; L70-Y74 VanDerWaalsContact O-N 3.1Å; D71-Y74 PolarHBondContact O-N 3.43Å; D71-Y74 VanDerWaalsContact O-N 3.14Å; Y74-G76 PolarHBondContact O-N 2.74Å |
| 75 | Q | 63.2 | Low | 62 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | trans | -67.7 | 62.6 | 161.3 | -153.8 | 74.5 | 10.1 | 0 | 0 | 111.1 | D71 G79 | D71-Q75 PolarHBondContact O-N 2.94Å; Q75-G79 PolarHBondContact NE2-O 2.96Å | ||
| 76 | G | 57.2 | Low | 62 | Low | 33 Ų | 33 | 114.2 Ų | 114.2 | 34% | 0.34 | 57% | 0.565 | S | S | . | * | trans | -65.1 | -176.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y74 A78 G79 | Y74-G76 PolarHBondContact O-N 2.74Å; G76-A78 PolarHBondContact O-N 2.96Å; G76-G79 WeakPolarHBondContact O-CA 3.43Å; G76-G79 PolarHBondContact O-N 2.8Å | ||
| 77 | P | 57.8 | Low | 62.3 | Low | 129 Ų | 129 | 112.7 Ų | 112.7 | 84% | 0.838 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -55.8 | -25.4 | -176.5 | -28.3 | 36.5 | 0 | 0 | 0 | 115.4 | G79 | P77-G79 VanDerWaalsContact C-N 3.31Š|
| 78 | A | 53.3 | Low | 62.5 | Low | 81 Ų | 81 | 113.7 Ų | 113.7 | 67% | 0.669 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -71.1 | -21.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G76 Q80 V81 | G76-A78 PolarHBondContact O-N 2.96Å; A78-Q80 PolarHBondContact O-N 2.78Å; A78-V81 VanDerWaalsContact O-CB 3.26Å; A78-V81 WeakPolarHBondContact O-CB 3.5Å; A78-V81 PolarHBondContact O-N 3.2Å |
| 79 | G | 56.3 | Low | 62.3 | Low | 24 Ų | 24 | 110.6 Ų | 110.6 | 25% | 0.247 | 57% | 0.566 | C | S | . | * | G | 310 helix | trans | -76 | 1.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q75 G76 P77 V81 | Q75-G79 PolarHBondContact NE2-O 2.96Å; G76-G79 WeakPolarHBondContact O-CA 3.43Å; G76-G79 PolarHBondContact O-N 2.8Å; P77-G79 VanDerWaalsContact C-N 3.31Å; G79-V81 VanDerWaalsContact C-N 3.28Å |
| 80 | Q | 50.7 | Low | 62.9 | Low | 175 Ų | 175 | 107.5 Ų | 107.5 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -76.4 | -18.5 | 161.5 | -77.6 | -82.9 | -90.2 | 0 | 0 | 112 | A78 S82 | A78-Q80 PolarHBondContact O-N 2.78Å; Q80-S82 VanDerWaalsContact C-N 3.33Å; Q80-S82 PolarHBondContact O-N 3.3Å |
| 81 | V | 54.4 | Low | 63.2 | Low | 65 Ų | 65 | 109.5 Ų | 109.5 | 39% | 0.394 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -80.1 | 86.6 | 172 | -175.5 | 0 | 0 | 0 | 0 | 107 | A78 G79 R83 Y86 I96 | A78-V81 VanDerWaalsContact O-CB 3.26Å; A78-V81 WeakPolarHBondContact O-CB 3.5Å; A78-V81 PolarHBondContact O-N 3.2Å; G79-V81 VanDerWaalsContact C-N 3.28Å; V81-R83 PolarHBondContact O-N 3.13Å; V81-Y86 HydrophobicContact CB-CE2 4.32Å; V81-Y86 HydrophobicContact CG1-CD2 3.81Å; V81-Y86 HydrophobicContact CG1-CE2 3.28Å; V81-I96 HydrophobicContact CG1-CD1 4.01Å |
| 82 | S | 56.1 | Low | 63 | Low | 41 Ų | 41 | 109.3 Ų | 109.3 | 29% | 0.287 | 57% | 0.57 | S | S | . | * | trans | -59.6 | 94.5 | 176.9 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | Q80 D84 E85 Y86 | Q80-S82 VanDerWaalsContact C-N 3.33Å; Q80-S82 PolarHBondContact O-N 3.3Å; S82-D84 PolarHBondContact O-N 2.93Å; S82-D84 VanDerWaalsContact O-N 3.15Å; S82-E85 WeakPolarHBondContact CB-OE1 3.31Å; S82-E85 WeakPolarHBondContact O-CB 3.37Å; S82-E85 PolarHBondContact O-N 2.98Å; S82-E85 WeakPolarHBondContact OG-CG 3.03Å; S82-E85 PolarHBondContact OG-OE1 2.93Å; S82-Y86 VanDerWaalsContact O-CD2 3.25Å; S82-Y86 WeakPolarHBondContact O-CD2 3.45Å; S82-Y86 PolarHBondContact O-N 2.72Å | ||
| 83 | R | 61.2 | Low | 62.6 | Low | 198 Ų | 198 | 103.9 Ų | 103.9 | 75% | 0.747 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -56.4 | -34 | -174.9 | -176.4 | 167.7 | 178.6 | 148.9 | -0.3 | 111.7 | V81 Y86 L87 | V81-R83 PolarHBondContact O-N 3.13Å; R83-Y86 PolarHBondContact O-N 2.82Å; R83-L87 HydrophobicContact CG-CD1 4.28Å; R83-L87 WeakPolarHBondContact O-CD1 3.43Å; R83-L87 PolarHBondContact O-N 3.34Å; R83-L87 VanDerWaalsContact O-N 3.08Å |
| 84 | D | 60.4 | Low | 62.5 | Low | 116 Ų | 116 | 106.7 Ų | 106.7 | 62% | 0.62 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.6 | -33.9 | 177.5 | -58.7 | -17.8 | 0 | 0 | 0 | 111.8 | S82 L87 L88 | S82-D84 PolarHBondContact O-N 2.93Å; S82-D84 VanDerWaalsContact O-N 3.15Å; D84-L87 PolarHBondContact O-N 3.08Å; D84-L88 WeakPolarHBondContact O-CB 3.49Å; D84-L88 WeakPolarHBondContact O-CD1 3.23Å; D84-L88 WeakPolarHBondContact O-CG 3.32Å; D84-L88 PolarHBondContact O-N 2.89Å |
| 85 | E | 67.7 | Low | 62.3 | Low | 84 Ų | 84 | 106 Ų | 106 | 39% | 0.393 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.8 | -37.3 | 174 | -75 | 170.8 | -126.8 | 0 | 0 | 112.8 | S82 L88 G89 R90 | S82-E85 WeakPolarHBondContact CB-OE1 3.31Å; S82-E85 WeakPolarHBondContact O-CB 3.37Å; S82-E85 PolarHBondContact O-N 2.98Å; S82-E85 WeakPolarHBondContact OG-CG 3.03Å; S82-E85 PolarHBondContact OG-OE1 2.93Å; E85-L88 CarbonylContact O-C 3.45Å; E85-L88 PolarHBondContact O-N 3.12Å; E85-G89 PolarHBondContact O-N 3.4Å; E85-R90 HydrophobicContact CB-CB 4.31Å; E85-R90 VanDerWaalsContact O-CB 3.27Å; E85-R90 WeakPolarHBondContact O-CB 3.35Å; E85-R90 PolarHBondContact O-N 3.44Å; E85-R90 WeakPolarHBondContact OE2-CD 3.46Å; E85-R90 IonicContact OE2-CZ 2.7Å; E85-R90 IonicContact OE2-NE 3.68Å; E85-R90 PolarHBondContact OE2-NE 3.16Å; E85-R90 IonicContact OE2-NH2 2.72Å |
| 86 | Y | 71.2 | Confident | 62.1 | Low | 61 Ų | 61 | 103.4 Ų | 103.4 | 24% | 0.239 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -70.1 | -36.4 | 174.8 | -67.4 | -79.3 | 0 | 0 | 0 | 111.7 | V81 S82 R83 L88 G89 R90 I92 | V81-Y86 HydrophobicContact CB-CE2 4.32Å; V81-Y86 HydrophobicContact CG1-CD2 3.81Å; V81-Y86 HydrophobicContact CG1-CE2 3.28Å; S82-Y86 VanDerWaalsContact O-CD2 3.25Å; S82-Y86 WeakPolarHBondContact O-CD2 3.45Å; S82-Y86 PolarHBondContact O-N 2.72Å; R83-Y86 PolarHBondContact O-N 2.82Å; Y86-L88 PolarHBondContact O-N 3.37Å; Y86-G89 PolarHBondContact O-N 3.25Å; Y86-R90 HydrophobicContact CD1-CB 4.45Å; Y86-R90 WeakPolarHBondContact CD1-O 3.27Å; Y86-I92 HydrophobicContact CD1-CG1 4.18Å |
| 87 | L | 73.4 | Confident | 62.1 | Low | 129 Ų | 129 | 104.9 Ų | 104.9 | 68% | 0.675 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.7 | -28.5 | 169.6 | -97.9 | 71.7 | 0 | 0 | 0 | 112.7 | R83 D84 G89 | R83-L87 HydrophobicContact CG-CD1 4.28Å; R83-L87 WeakPolarHBondContact O-CD1 3.43Å; R83-L87 PolarHBondContact O-N 3.34Å; R83-L87 VanDerWaalsContact O-N 3.08Å; D84-L87 PolarHBondContact O-N 3.08Å; L87-G89 VanDerWaalsContact C-N 3.29Å |
| 88 | L | 68.8 | Low | 62 | Low | 153 Ų | 153 | 104.9 Ų | 104.9 | 80% | 0.801 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 11.2 | 175.5 | -69.2 | 168.1 | 0 | 0 | 0 | 113.7 | D84 E85 Y86 | D84-L88 WeakPolarHBondContact O-CB 3.49Å; D84-L88 WeakPolarHBondContact O-CD1 3.23Å; D84-L88 WeakPolarHBondContact O-CG 3.32Å; D84-L88 PolarHBondContact O-N 2.89Å; E85-L88 CarbonylContact O-C 3.45Å; E85-L88 PolarHBondContact O-N 3.12Å; Y86-L88 PolarHBondContact O-N 3.37Å |
| 89 | G | 63.4 | Low | 62 | Low | 61 Ų | 61 | 108.5 Ų | 108.5 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.1 | 15.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116 | E85 Y86 L87 | E85-G89 PolarHBondContact O-N 3.4Å; Y86-G89 PolarHBondContact O-N 3.25Å; L87-G89 VanDerWaalsContact C-N 3.29Å |
| 90 | R | 78 | Confident | 61.9 | Low | 143 Ų | 143 | 116.7 Ų | 116.7 | 54% | 0.54 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 128.1 | 166.2 | -150.4 | -169.4 | -143.9 | -86.2 | 0.9 | 108.4 | E85 Y86 I92 | E85-R90 HydrophobicContact CB-CB 4.31Å; E85-R90 VanDerWaalsContact O-CB 3.27Å; E85-R90 WeakPolarHBondContact O-CB 3.35Å; E85-R90 PolarHBondContact O-N 3.44Å; E85-R90 WeakPolarHBondContact OE2-CD 3.46Å; E85-R90 IonicContact OE2-CZ 2.7Å; E85-R90 IonicContact OE2-NE 3.68Å; E85-R90 PolarHBondContact OE2-NE 3.16Å; E85-R90 IonicContact OE2-NH2 2.72Å; Y86-R90 HydrophobicContact CD1-CB 4.45Å; Y86-R90 WeakPolarHBondContact CD1-O 3.27Å; R90-I92 PolarHBondContact O-N 3.09Å |
| 91 | P | 67.8 | Low | 61.7 | Low | 112 Ų | 112 | 116.7 Ų | 116.7 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 135.1 | -177.6 | 23.9 | -33.7 | 0 | 0 | 0 | 110.8 | D93 | P91-D93 PolarHBondContact O-N 3.39Š|
| 92 | I | 63.5 | Low | 61.1 | Low | 106 Ų | 106 | 121.9 Ų | 121.9 | 54% | 0.544 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 131.2 | -179 | -58.5 | 173.4 | 0 | 0 | 0 | 109.2 | Y86 R90 I96 T97 | Y86-I92 HydrophobicContact CD1-CG1 4.18Å; R90-I92 PolarHBondContact O-N 3.09Å; I92-I96 HydrophobicContact CG2-CB 4.02Å; I92-I96 HydrophobicContact CG2-CG2 4.28Å; I92-T97 HydrophobicContact CG2-CG2 4.19Å |
| 93 | D | 64 | Low | 60.8 | Low | 83 Ų | 83 | 125.8 Ų | 125.8 | 44% | 0.444 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 137.2 | 173.5 | -163.8 | -12.2 | 0 | 0 | 0 | 109.7 | P91 Q95 I96 | P91-D93 PolarHBondContact O-N 3.39Å; D93-Q95 PolarHBondContact O-N 3.18Å; D93-I96 WeakPolarHBondContact O-CB 3.39Å; D93-I96 PolarHBondContact O-N 3.41Å |
| 94 | K | 61.2 | Low | 60 | Low | 163 Ų | 163 | 126 Ų | 126 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.4 | -19.9 | -173.8 | -62.8 | -176.5 | 179.3 | -170.6 | 0 | 112.9 | I96 T97 D98 | K94-I96 PolarHBondContact O-N 2.6Å; K94-T97 PolarHBondContact O-N 3.07Å; K94-T97 PolarHBondContact O-OG1 3.15Å; K94-D98 PolarHBondContact O-N 3.41Å |
| 95 | Q | 57.8 | Low | 59.3 | Low | 152 Ų | 152 | 126.5 Ų | 126.5 | 71% | 0.71 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.8 | -17.2 | 174.3 | -54.9 | -170.4 | -1.7 | 0 | 0 | 113.6 | D93 | D93-Q95 PolarHBondContact O-N 3.18Å |
| 96 | I | 59.1 | Low | 58.3 | Low | 63 Ų | 63 | 125.3 Ų | 125.3 | 32% | 0.323 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -91.8 | -35 | 178.3 | -60.8 | 173.1 | 0 | 0 | 0 | 111 | V81 I92 D93 K94 | V81-I96 HydrophobicContact CG1-CD1 4.01Å; I92-I96 HydrophobicContact CG2-CB 4.02Å; I92-I96 HydrophobicContact CG2-CG2 4.28Å; D93-I96 WeakPolarHBondContact O-CB 3.39Å; D93-I96 PolarHBondContact O-N 3.41Å; K94-I96 PolarHBondContact O-N 2.6Å |
| 97 | T | 57.7 | Low | 57.1 | Low | 63 Ų | 63 | 129.4 Ų | 129.4 | 39% | 0.387 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -66.6 | -45.2 | 179.6 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | I92 K94 Q99 Y100 E101 | I92-T97 HydrophobicContact CG2-CG2 4.19Å; K94-T97 PolarHBondContact O-N 3.07Å; K94-T97 PolarHBondContact O-OG1 3.15Å; T97-Q99 PolarHBondContact O-N 3.01Å; T97-Y100 PolarHBondContact O-N 3.32Å; T97-Y100 VanDerWaalsContact O-N 3.09Å; T97-E101 PolarHBondContact O-N 2.83Å |
| 98 | D | 55.5 | Low | 55.9 | Low | 129 Ų | 129 | 126.5 Ų | 126.5 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -9.2 | -174.9 | -59.6 | 8.1 | 0 | 0 | 0 | 113.5 | K94 | K94-D98 PolarHBondContact O-N 3.41Š|
| 99 | Q | 53.9 | Low | 55.1 | Low | 158 Ų | 158 | 124 Ų | 124 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -10.8 | 177.2 | -69.5 | -99.9 | -62.5 | 0 | 0 | 113.5 | T97 | T97-Q99 PolarHBondContact O-N 3.01Š|
| 100 | Y | 53.5 | Low | 54.3 | Low | 195 Ų | 195 | 130.4 Ų | 130.4 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 15.2 | -170.7 | -74.4 | -82.5 | 0 | 0 | 0 | 114.7 | T97 E102 | T97-Y100 PolarHBondContact O-N 3.32Å; T97-Y100 VanDerWaalsContact O-N 3.09Å; Y100-E102 PolarHBondContact O-N 2.96Å |
| 101 | E | 46.3 | Very low | 53.1 | Low | 175 Ų | 175 | 128.9 Ų | 128.9 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -70.6 | 79.7 | 162.4 | -74.1 | -161.6 | 158.7 | 0 | 0 | 110.6 | T97 | T97-E101 PolarHBondContact O-N 2.83Š| ||
| 102 | E | 43.3 | Very low | 52.5 | Low | 175 Ų | 175 | 127.1 Ų | 127.1 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -82.7 | 140.3 | 148.7 | -74.1 | -152.7 | 150.7 | 0 | 0 | 109.2 | Y100 E104 | Y100-E102 PolarHBondContact O-N 2.96Å; E102-E104 PolarHBondContact O-N 3.47Å | ||
| 103 | P | 48.8 | Very low | 51.8 | Low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | -70.2 | 112.7 | 179 | 28 | -33.4 | 0 | 0 | 0 | 110.8 | S105 | P103-S105 PolarHBondContact O-N 3.27Š| ||
| 104 | E | 45 | Very low | 51.2 | Low | 204 Ų | 204 | 131 Ų | 131 | 95% | 0.953 | 73% | 0.725 | S | S | * | * | trans | -58.3 | 110.6 | 170.9 | -79.7 | -164.2 | 133.8 | 0 | 0 | 110.8 | E102 | E102-E104 PolarHBondContact O-N 3.47Š| ||
| 105 | S | 45.2 | Very low | 50.4 | Low | 126 Ų | 126 | 129.8 Ų | 129.8 | 88% | 0.881 | 73% | 0.734 | S | S | * | * | trans | -128.3 | 86.9 | 163.8 | -171 | 0 | 0 | 0 | 0 | 108.5 | P103 | P103-S105 PolarHBondContact O-N 3.27Š| ||
| 106 | G | 47.6 | Very low | 50 | Low | 59 Ų | 59 | 124.5 Ų | 124.5 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | trans | -152.5 | 128.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S108 | G106-S108 PolarHBondContact O-N 3.12Š| ||
| 107 | P | 45.8 | Very low | 49.7 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 96% | 0.955 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -80.3 | 81.6 | -173.8 | 32.7 | -35.3 | 0 | 0 | 0 | 111.3 | ||
| 108 | S | 47.6 | Very low | 49.7 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 47% | 0.469 | 75% | 0.754 | S | S | . | * | trans | -133.4 | 21.6 | 178.4 | -168.8 | 0 | 0 | 0 | 0 | 114.1 | G106 L114 | G106-S108 PolarHBondContact O-N 3.12Å; S108-L114 WeakPolarHBondContact OG-CD2 3.32Å | ||
| 109 | A | 52.3 | Low | 49.5 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -86.6 | -26.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 110 | E | 47.6 | Very low | 49.3 | Very low | 195 Ų | 195 | 129.7 Ų | 129.7 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -99.8 | -9.7 | -164.7 | -71.1 | -169.7 | 135.8 | 0 | 0 | 116.6 | ||
| 111 | T | 52.3 | Low | 49.3 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -119.8 | -7.4 | -175.3 | 24.7 | 0 | 0 | 0 | 0 | 116 | L113 | T111-L113 PolarHBondContact O-N 2.89Š|
| 112 | G | 54.5 | Low | 49.6 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 60.7 | -1.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 113 | L | 48.8 | Very low | 50 | Low | 145 Ų | 145 | 117 Ų | 117 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | -131.9 | 105.3 | -175.2 | -68.4 | 175.5 | 0 | 0 | 0 | 108.8 | T111 P115 | T111-L113 PolarHBondContact O-N 2.89Å; L113-P115 VanDerWaalsContact O-CD 3.23Å; L113-P115 WeakPolarHBondContact O-CD 3.47Å | ||
| 114 | L | 50.9 | Low | 50.2 | Low | 124 Ų | 124 | 116.8 Ų | 116.8 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | trans | -66.2 | 116.1 | 172.2 | -67.7 | 169.5 | 0 | 0 | 0 | 109.6 | S108 G116 S117 | S108-L114 WeakPolarHBondContact OG-CD2 3.32Å; L114-G116 VanDerWaalsContact C-N 3.27Å; L114-G116 PolarHBondContact O-N 3.32Å; L114-S117 PolarHBondContact O-N 3.48Å | ||
| 115 | P | 45 | Very low | 50.4 | Low | 139 Ų | 139 | 110.3 Ų | 110.3 | 90% | 0.903 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 85.8 | 174 | 29.8 | -33.7 | 0 | 0 | 0 | 109.6 | L113 | L113-P115 VanDerWaalsContact O-CD 3.23Å; L113-P115 WeakPolarHBondContact O-CD 3.47Å |
| 116 | G | 50.5 | Low | 51 | Low | 40 Ų | 40 | 107.6 Ų | 107.6 | 41% | 0.412 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 167.4 | -20.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L114 I118 F119 N120 | L114-G116 VanDerWaalsContact C-N 3.27Å; L114-G116 PolarHBondContact O-N 3.32Å; G116-I118 PolarHBondContact O-N 3.18Å; G116-I118 VanDerWaalsContact O-N 3.14Å; G116-F119 PolarHBondContact O-N 3.43Å; G116-N120 PolarHBondContact O-N 2.81Å |
| 117 | S | 52 | Low | 51.4 | Low | 82 Ų | 82 | 107.3 Ų | 107.3 | 57% | 0.573 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -28.8 | -176.5 | -167.3 | 0 | 0 | 0 | 0 | 114.5 | L114 | L114-S117 PolarHBondContact O-N 3.48Š|
| 118 | I | 56.7 | Low | 51.8 | Low | 164 Ų | 164 | 107.6 Ų | 107.6 | 84% | 0.841 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -25.2 | 179 | -58.5 | 174.5 | 0 | 0 | 0 | 112.3 | G116 | G116-I118 PolarHBondContact O-N 3.18Å; G116-I118 VanDerWaalsContact O-N 3.14Å |
| 119 | F | 52.3 | Low | 52.5 | Low | 193 Ų | 193 | 107.8 Ų | 107.8 | 85% | 0.846 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 3.8 | -176.5 | -82 | -81.8 | 0 | 0 | 0 | 113.9 | G116 P121 | G116-F119 PolarHBondContact O-N 3.43Å; F119-P121 VanDerWaalsContact O-CD 3.23Å; F119-P121 WeakPolarHBondContact O-CD 3.31Å |
| 120 | N | 49.1 | Very low | 53.2 | Low | 84 Ų | 84 | 105.6 Ų | 105.6 | 45% | 0.449 | 65% | 0.645 | S | S | . | * | trans | -90.8 | 106.4 | 178.7 | -170.5 | 1.9 | 0 | 0 | 0 | 111.2 | G116 A122 | G116-N120 PolarHBondContact O-N 2.81Å; N120-A122 PolarHBondContact O-N 3.12Å; N120-A122 WeakPolarHBondContact OD1-CB 3.41Å; N120-A122 PolarHBondContact OD1-N 2.79Å | ||
| 121 | P | 54.5 | Low | 53.9 | Low | 130 Ų | 130 | 99 Ų | 99 | 84% | 0.844 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 1.4 | -178.2 | 32.4 | -37.9 | 0 | 0 | 0 | 113.9 | F119 | F119-P121 VanDerWaalsContact O-CD 3.23Å; F119-P121 WeakPolarHBondContact O-CD 3.31Å |
| 122 | A | 52 | Low | 55.1 | Low | 80 Ų | 80 | 95.5 Ų | 95.5 | 66% | 0.661 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 18.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N120 | N120-A122 PolarHBondContact O-N 3.12Å; N120-A122 WeakPolarHBondContact OD1-CB 3.41Å; N120-A122 PolarHBondContact OD1-N 2.79Å |
| 123 | T | 51.9 | Low | 56.2 | Low | 67 Ų | 67 | 97.8 Ų | 97.8 | 41% | 0.411 | 60% | 0.595 | S | S | . | * | trans | -90.1 | 137.4 | 177.9 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | A125 | T123-A125 PolarHBondContact O-N 3.39Š| ||
| 124 | P | 52.4 | Low | 57.4 | Low | 118 Ų | 118 | 91.8 Ų | 91.8 | 77% | 0.766 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 16.1 | -172.1 | 32.5 | -36.8 | 0 | 0 | 0 | 115.2 | S126 | P124-S126 PolarHBondContact O-N 2.64Š|
| 125 | A | 49.6 | Very low | 58.7 | Low | 68 Ų | 68 | 92.6 Ų | 92.6 | 56% | 0.562 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -25 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T123 G127 L128 D129 | T123-A125 PolarHBondContact O-N 3.39Å; A125-G127 VanDerWaalsContact C-N 3.25Å; A125-G127 PolarHBondContact O-N 3.24Å; A125-G127 VanDerWaalsContact O-N 3.09Å; A125-L128 PolarHBondContact O-N 2.85Å; A125-D129 VanDerWaalsContact O-CB 3.23Å; A125-D129 WeakPolarHBondContact O-CB 3.19Å; A125-D129 PolarHBondContact O-N 2.84Å; A125-D129 VanDerWaalsContact O-N 3.11Å |
| 126 | S | 58.3 | Low | 60.5 | Low | 70 Ų | 70 | 90.6 Ų | 90.6 | 49% | 0.49 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -44.5 | -36.9 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 115.2 | P124 L130 | P124-S126 PolarHBondContact O-N 2.64Å; S126-L130 WeakPolarHBondContact O-CA 3.28Å; S126-L130 WeakPolarHBondContact O-CB 3.45Å; S126-L130 PolarHBondContact O-N 3.48Å |
| 127 | G | 55.9 | Low | 62.1 | Low | 52 Ų | 52 | 90.5 Ų | 90.5 | 54% | 0.536 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -52.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A125 A131 | A125-G127 VanDerWaalsContact C-N 3.25Å; A125-G127 PolarHBondContact O-N 3.24Å; A125-G127 VanDerWaalsContact O-N 3.09Å; G127-A131 WeakPolarHBondContact O-CB 3.15Å; G127-A131 PolarHBondContact O-N 2.94Å; G127-A131 VanDerWaalsContact O-N 3.12Å |
| 128 | L | 53.9 | Low | 63.8 | Low | 154 Ų | 154 | 90.6 Ų | 90.6 | 81% | 0.806 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.4 | -36.4 | 178.2 | -72.8 | 172.4 | 0 | 0 | 0 | 111.7 | A125 A131 A132 | A125-L128 PolarHBondContact O-N 2.85Å; L128-A131 PolarHBondContact O-N 3.31Å; L128-A132 VanDerWaalsContact O-CB 3.32Å; L128-A132 WeakPolarHBondContact O-CB 3.33Å; L128-A132 PolarHBondContact O-N 3.47Å |
| 129 | D | 63 | Low | 65.1 | Low | 71 Ų | 71 | 88.5 Ų | 88.5 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 176.8 | -178.7 | 29.8 | 0 | 0 | 0 | 111.7 | A125 A132 K133 | A125-D129 VanDerWaalsContact O-CB 3.23Å; A125-D129 WeakPolarHBondContact O-CB 3.19Å; A125-D129 PolarHBondContact O-N 2.84Å; A125-D129 VanDerWaalsContact O-N 3.11Å; D129-A132 PolarHBondContact O-N 3.15Å; D129-K133 VanDerWaalsContact CG-NZ 3.25Å; D129-K133 VanDerWaalsContact O-CB 3.31Å; D129-K133 WeakPolarHBondContact O-CB 3.07Å; D129-K133 WeakPolarHBondContact O-CD 3.28Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 3.2Å; D129-K133 WeakPolarHBondContact OD1-CE 3.3Å; D129-K133 IonicContact OD1-NZ 2.6Å; D129-K133 PolarHBondContact OD1-NZ 3.13Å; D129-K133 WeakPolarHBondContact OD2-CE 3.22Å; D129-K133 IonicContact OD2-NZ 3.75Å; D129-K133 PolarHBondContact OD2-NZ 2.85Å |
| 130 | L | 65.8 | Low | 66.5 | Low | 55 Ų | 55 | 81.8 Ų | 81.8 | 29% | 0.288 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 173.3 | -175.4 | 63.7 | 0 | 0 | 0 | 112.1 | I63 S126 A132 K133 I134 | I63-L130 HydrophobicContact CD1-CD2 3.97Å; S126-L130 WeakPolarHBondContact O-CA 3.28Å; S126-L130 WeakPolarHBondContact O-CB 3.45Å; S126-L130 PolarHBondContact O-N 3.48Å; L130-A132 VanDerWaalsContact C-N 3.31Å; L130-A132 PolarHBondContact O-N 3.12Å; L130-K133 PolarHBondContact O-N 2.93Å; L130-I134 HydrophobicContact CD1-CD1 4.2Å; L130-I134 HydrophobicContact CD1-CG1 4.39Å; L130-I134 HydrophobicContact CG-CD1 3.95Å; L130-I134 WeakPolarHBondContact O-CB 3.28Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.43Å; L130-I134 PolarHBondContact O-N 3.36Å |
| 131 | A | 63.2 | Low | 68.3 | Low | 55 Ų | 55 | 80.4 Ų | 80.4 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G127 L128 R135 | G127-A131 WeakPolarHBondContact O-CB 3.15Å; G127-A131 PolarHBondContact O-N 2.94Å; G127-A131 VanDerWaalsContact O-N 3.12Å; L128-A131 PolarHBondContact O-N 3.31Å; A131-R135 VanDerWaalsContact O-CB 3.28Å; A131-R135 WeakPolarHBondContact O-CB 3.45Å; A131-R135 PolarHBondContact O-N 3.42Å |
| 132 | A | 76.3 | Confident | 69.8 | Low | 40 Ų | 40 | 78.5 Ų | 78.5 | 33% | 0.331 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L128 D129 L130 I134 R135 E136 | L128-A132 VanDerWaalsContact O-CB 3.32Å; L128-A132 WeakPolarHBondContact O-CB 3.33Å; L128-A132 PolarHBondContact O-N 3.47Å; D129-A132 PolarHBondContact O-N 3.15Å; L130-A132 VanDerWaalsContact C-N 3.31Å; L130-A132 PolarHBondContact O-N 3.12Å; A132-I134 PolarHBondContact O-N 3.02Å; A132-R135 PolarHBondContact O-N 3.37Å; A132-R135 VanDerWaalsContact O-N 3.12Å; A132-E136 WeakPolarHBondContact O-CB 3.46Å; A132-E136 WeakPolarHBondContact O-CG 3.43Å; A132-E136 PolarHBondContact O-N 3.34Å |
| 133 | K | 78.9 | Confident | 71.4 | Confident | 122 Ų | 122 | 81 Ų | 81 | 53% | 0.53 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.2 | -77 | 162.8 | 175.4 | 166.4 | 0 | 112.7 | D129 L130 D137 | D129-K133 VanDerWaalsContact CG-NZ 3.25Å; D129-K133 VanDerWaalsContact O-CB 3.31Å; D129-K133 WeakPolarHBondContact O-CB 3.07Å; D129-K133 WeakPolarHBondContact O-CD 3.28Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 3.2Å; D129-K133 WeakPolarHBondContact OD1-CE 3.3Å; D129-K133 IonicContact OD1-NZ 2.6Å; D129-K133 PolarHBondContact OD1-NZ 3.13Å; D129-K133 WeakPolarHBondContact OD2-CE 3.22Å; D129-K133 IonicContact OD2-NZ 3.75Å; D129-K133 PolarHBondContact OD2-NZ 2.85Å; L130-K133 PolarHBondContact O-N 2.93Å; K133-D137 WeakPolarHBondContact O-CB 3.4Å; K133-D137 PolarHBondContact O-N 2.88Å |
| 134 | I | 72.8 | Confident | 73.1 | Confident | 19 Ų | 19 | 83.7 Ų | 83.7 | 10% | 0.097 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 174.1 | -67.4 | 166.2 | 0 | 0 | 0 | 110.7 | I53 Y56 A57 L130 A132 F140 | I53-I134 HydrophobicContact CG2-CD1 4.15Å; Y56-I134 HydrophobicContact CD1-CG2 3.98Å; Y56-I134 HydrophobicContact CE1-CG2 4.09Å; A57-I134 HydrophobicContact CB-CD1 4.04Å; L130-I134 HydrophobicContact CD1-CD1 4.2Å; L130-I134 HydrophobicContact CD1-CG1 4.39Å; L130-I134 HydrophobicContact CG-CD1 3.95Å; L130-I134 WeakPolarHBondContact O-CB 3.28Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.43Å; L130-I134 PolarHBondContact O-N 3.36Å; A132-I134 PolarHBondContact O-N 3.02Å; I134-F140 HydrophobicContact CG2-CD1 4.5Å; I134-F140 HydrophobicContact CG2-CD2 4.36Å; I134-F140 HydrophobicContact CG2-CE2 4.44Å; I134-F140 HydrophobicContact CG2-CG 4.38Å; I134-F140 WeakPolarHBondContact O-CB 3.32Å; I134-F140 WeakPolarHBondContact O-CD1 3.44Å; I134-F140 VanDerWaalsContact O-CG 3.31Å; I134-F140 WeakPolarHBondContact O-CG 3.48Å |
| 135 | R | 78.7 | Confident | 74.8 | Confident | 141 Ų | 141 | 83.8 Ų | 83.8 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.5 | -35.3 | 178.5 | -168.5 | 179 | 64.9 | 63.7 | 4.3 | 113 | A131 A132 | A131-R135 VanDerWaalsContact O-CB 3.28Å; A131-R135 WeakPolarHBondContact O-CB 3.45Å; A131-R135 PolarHBondContact O-N 3.42Å; A132-R135 PolarHBondContact O-N 3.37Å; A132-R135 VanDerWaalsContact O-N 3.12Å |
| 136 | E | 81.9 | Confident | 76.7 | Confident | 97 Ų | 97 | 85.3 Ų | 85.3 | 45% | 0.453 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -96 | 1.3 | 179.9 | -56.3 | -62.6 | -176.4 | 0 | 0 | 113.7 | A132 P138 Q141 | A132-E136 WeakPolarHBondContact O-CB 3.46Å; A132-E136 WeakPolarHBondContact O-CG 3.43Å; A132-E136 PolarHBondContact O-N 3.34Å; E136-P138 WeakPolarHBondContact O-CD 3.48Å; E136-Q141 PolarHBondContact OE2-NE2 3.06Å; E136-Q141 VanDerWaalsContact OE2-NE2 3.13Å |
| 137 | D | 85.8 | Confident | 77.9 | Confident | 38 Ų | 38 | 87.3 Ų | 87.3 | 20% | 0.203 | 44% | 0.439 | C | S | . | . | trans | -62.1 | 120.1 | 170.5 | 165.7 | 28.3 | 0 | 0 | 0 | 110 | Y56 K133 L139 F140 Q141 | Y56-D137 PolarHBondContact OH-OD2 3.04Å; K133-D137 WeakPolarHBondContact O-CB 3.4Å; K133-D137 PolarHBondContact O-N 2.88Å; D137-L139 PolarHBondContact O-N 3.02Å; D137-L139 WeakPolarHBondContact OD1-CB 3.32Å; D137-L139 PolarHBondContact OD1-N 3.33Å; D137-F140 HydrophobicContact CB-CB 3.91Å; D137-F140 PolarHBondContact O-N 3.39Å; D137-F140 WeakPolarHBondContact OD2-CB 3.33Å; D137-F140 PolarHBondContact OD2-N 3.31Å; D137-Q141 WeakPolarHBondContact O-CG 3.45Å; D137-Q141 PolarHBondContact O-N 2.91Å | ||
| 138 | P | 86.8 | Confident | 79.5 | Confident | 85 Ų | 85 | 91 Ų | 91 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.8 | -30.2 | 179.2 | 24.4 | -34.7 | 0 | 0 | 0 | 113 | E136 Q141 I142 | E136-P138 WeakPolarHBondContact O-CD 3.48Å; P138-Q141 PolarHBondContact O-N 3.28Å; P138-I142 WeakPolarHBondContact O-CD1 3.42Å; P138-I142 VanDerWaalsContact O-CG1 3.22Å; P138-I142 WeakPolarHBondContact O-CG1 3.3Å; P138-I142 PolarHBondContact O-N 2.94Å |
| 139 | L | 84 | Confident | 81.3 | Confident | 120 Ų | 120 | 90.3 Ų | 90.3 | 63% | 0.628 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -71.6 | -46.1 | 177.1 | -65.1 | 175.7 | 0 | 0 | 0 | 111.3 | D137 Q141 I142 R143 | D137-L139 PolarHBondContact O-N 3.02Å; D137-L139 WeakPolarHBondContact OD1-CB 3.32Å; D137-L139 PolarHBondContact OD1-N 3.33Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 2.94Å; L139-I142 PolarHBondContact O-N 3.46Å; L139-R143 PolarHBondContact O-N 3.24Å |
| 140 | F | 82.3 | Confident | 82.4 | Confident | 52 Ų | 52 | 93 Ų | 93 | 23% | 0.228 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -55.5 | -45.3 | 170.1 | -174.1 | -108.5 | 0 | 0 | 0 | 111.7 | Y56 I134 D137 I142 R143 K144 | Y56-F140 AromaticContact CD1-CD2 4Å; Y56-F140 HydrophobicContact CD1-CD2 4Å; Y56-F140 HydrophobicContact CD1-CE2 4.4Å; Y56-F140 HydrophobicContact CE1-CB 4.08Å; Y56-F140 AromaticContact CE1-CD2 3.58Å; Y56-F140 HydrophobicContact CE1-CD2 3.58Å; Y56-F140 HydrophobicContact CE1-CE2 4.41Å; Y56-F140 HydrophobicContact CE1-CG 4.17Å; Y56-F140 HydrophobicContact CE2-CD2 4.21Å; Y56-F140 HydrophobicContact CG-CD2 4.46Å; Y56-F140 AromaticContact CZ-CD2 3.7Å; Y56-F140 PolarHBondContact OH-N 2.98Å; I134-F140 HydrophobicContact CG2-CD1 4.5Å; I134-F140 HydrophobicContact CG2-CD2 4.36Å; I134-F140 HydrophobicContact CG2-CE2 4.44Å; I134-F140 HydrophobicContact CG2-CG 4.38Å; I134-F140 WeakPolarHBondContact O-CB 3.32Å; I134-F140 WeakPolarHBondContact O-CD1 3.44Å; I134-F140 VanDerWaalsContact O-CG 3.31Å; I134-F140 WeakPolarHBondContact O-CG 3.48Å; D137-F140 HydrophobicContact CB-CB 3.91Å; D137-F140 PolarHBondContact O-N 3.39Å; D137-F140 WeakPolarHBondContact OD2-CB 3.33Å; D137-F140 PolarHBondContact OD2-N 3.31Å; F140-I142 PolarHBondContact O-N 2.84Å; F140-R143 PolarHBondContact O-N 2.97Å; F140-K144 HydrophobicContact CE1-CD 4.37Å; F140-K144 VanDerWaalsContact O-CB 3.24Å; F140-K144 WeakPolarHBondContact O-CB 3.14Å; F140-K144 PolarHBondContact O-N 2.88Å |
| 141 | Q | 85.8 | Confident | 83.5 | Confident | 55 Ų | 55 | 98.4 Ų | 98.4 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176.8 | -68.7 | -172.9 | 10.3 | 0 | 0 | 113 | E136 D137 P138 L139 R145 | E136-Q141 PolarHBondContact OE2-NE2 3.06Å; E136-Q141 VanDerWaalsContact OE2-NE2 3.13Å; D137-Q141 WeakPolarHBondContact O-CG 3.45Å; D137-Q141 PolarHBondContact O-N 2.91Å; P138-Q141 PolarHBondContact O-N 3.28Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 2.94Å; Q141-R145 VanDerWaalsContact C-NH1 3.33Å; Q141-R145 WeakPolarHBondContact O-CG 3.47Å; Q141-R145 PolarHBondContact O-N 3.42Å; Q141-R145 PolarHBondContact O-NH1 3.1Å |
| 142 | I | 87.6 | Confident | 84.8 | Confident | 89 Ų | 89 | 100.1 Ų | 100.1 | 46% | 0.456 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.2 | -50.5 | 175.6 | -71.2 | 162.4 | 0 | 0 | 0 | 110.1 | P138 L139 F140 K144 R145 E146 | P138-I142 WeakPolarHBondContact O-CD1 3.42Å; P138-I142 VanDerWaalsContact O-CG1 3.22Å; P138-I142 WeakPolarHBondContact O-CG1 3.3Å; P138-I142 PolarHBondContact O-N 2.94Å; L139-I142 PolarHBondContact O-N 3.46Å; F140-I142 PolarHBondContact O-N 2.84Å; I142-K144 VanDerWaalsContact C-N 3.32Å; I142-K144 PolarHBondContact O-N 3.29Å; I142-R145 PolarHBondContact O-N 2.88Å; I142-E146 PolarHBondContact O-N 3.38Å |
| 143 | R | 83.9 | Confident | 85.2 | Confident | 134 Ų | 134 | 100.3 Ų | 100.3 | 51% | 0.506 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 179.1 | -171.4 | 170.4 | 175.9 | 173 | -6 | 111.9 | E59 L139 F140 E146 E147 | E59-R143 IonicContact OE2-CZ 3.91Å; E59-R143 IonicContact OE2-NH1 2.92Å; E59-R143 PolarHBondContact OE2-NH1 2.89Å; E59-R143 IonicContact OE2-NH2 3.53Å; E59-R143 PolarHBondContact OE2-NH2 3.43Å; L139-R143 PolarHBondContact O-N 3.24Å; F140-R143 PolarHBondContact O-N 2.97Å; R143-E146 WeakPolarHBondContact O-CB 3.27Å; R143-E146 PolarHBondContact O-N 3.4Å; R143-E147 PolarHBondContact O-N 3.43Å |
| 144 | K | 88.5 | Confident | 85.4 | Confident | 123 Ų | 123 | 99.8 Ų | 99.8 | 54% | 0.535 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 174.4 | -173.7 | 176.1 | 179.2 | -179.2 | 0 | 112.2 | F140 I142 E146 E147 E148 | F140-K144 HydrophobicContact CE1-CD 4.37Å; F140-K144 VanDerWaalsContact O-CB 3.24Å; F140-K144 WeakPolarHBondContact O-CB 3.14Å; F140-K144 PolarHBondContact O-N 2.88Å; I142-K144 VanDerWaalsContact C-N 3.32Å; I142-K144 PolarHBondContact O-N 3.29Å; K144-E146 VanDerWaalsContact C-N 3.31Å; K144-E146 PolarHBondContact O-N 3.03Å; K144-E147 PolarHBondContact O-N 3.47Å; K144-E148 VanDerWaalsContact O-CB 3.32Å; K144-E148 WeakPolarHBondContact O-CB 3.23Å; K144-E148 PolarHBondContact O-N 2.91Å |
| 145 | R | 88.8 | Confident | 86.1 | Confident | 120 Ų | 120 | 104.1 Ų | 104.1 | 45% | 0.453 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -35 | 174.6 | -71 | -179 | -154.2 | 97.8 | -1.6 | 112.3 | Q141 I142 K149 | Q141-R145 VanDerWaalsContact C-NH1 3.33Å; Q141-R145 WeakPolarHBondContact O-CG 3.47Å; Q141-R145 PolarHBondContact O-N 3.42Å; Q141-R145 PolarHBondContact O-NH1 3.1Å; I142-R145 PolarHBondContact O-N 2.88Å; R145-K149 WeakPolarHBondContact O-CB 3.26Å; R145-K149 WeakPolarHBondContact O-CG 2.93Å; R145-K149 PolarHBondContact O-N 3.09Å |
| 146 | E | 87.7 | Confident | 86.6 | Confident | 99 Ų | 99 | 99.7 Ų | 99.7 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 173.4 | -77.3 | -166.9 | -164.5 | 0 | 0 | 112.5 | I142 R143 K144 K149 K150 | I142-E146 PolarHBondContact O-N 3.38Å; R143-E146 WeakPolarHBondContact O-CB 3.27Å; R143-E146 PolarHBondContact O-N 3.4Å; K144-E146 VanDerWaalsContact C-N 3.31Å; K144-E146 PolarHBondContact O-N 3.03Å; E146-K149 PolarHBondContact O-N 2.86Å; E146-K150 WeakPolarHBondContact O-CB 3.48Å; E146-K150 WeakPolarHBondContact O-CD 3.43Å; E146-K150 VanDerWaalsContact O-CG 3.26Å; E146-K150 WeakPolarHBondContact O-CG 3.37Å; E146-K150 PolarHBondContact O-N 3.09Å; E146-K150 IonicContact OE2-NZ 3.36Å; E146-K150 PolarHBondContact OE2-NZ 3.11Å |
| 147 | E | 84.7 | Confident | 86.9 | Confident | 113 Ų | 113 | 99.2 Ų | 99.2 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 178.7 | -176.5 | 166.9 | -165.6 | 0 | 0 | 111.8 | R143 K144 K150 R151 | R143-E147 PolarHBondContact O-N 3.43Å; K144-E147 PolarHBondContact O-N 3.47Å; E147-K150 CarbonylContact O-C 3.59Å; E147-K150 WeakPolarHBondContact O-CB 3.23Å; E147-K150 PolarHBondContact O-N 3.12Å; E147-R151 PolarHBondContact O-N 2.67Å |
| 148 | E | 90.2 | Very high | 87.1 | Confident | 128 Ų | 128 | 102.6 Ų | 102.6 | 60% | 0.598 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.2 | -46.1 | 173.2 | -175.5 | 169.3 | -147.7 | 0 | 0 | 111.4 | K144 K150 R151 E152 | K144-E148 VanDerWaalsContact O-CB 3.32Å; K144-E148 WeakPolarHBondContact O-CB 3.23Å; K144-E148 PolarHBondContact O-N 2.91Å; E148-K150 PolarHBondContact O-N 2.79Å; E148-R151 CarbonylContact O-C 3.59Å; E148-R151 WeakPolarHBondContact O-CB 3.29Å; E148-R151 PolarHBondContact O-N 2.89Å; E148-E152 WeakPolarHBondContact O-CB 3.36Å; E148-E152 PolarHBondContact O-N 3.49Å |
| 149 | K | 91.1 | Very high | 87 | Confident | 141 Ų | 141 | 102.4 Ų | 102.4 | 61% | 0.613 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.1 | -38.8 | 172.8 | -76.1 | 178 | 178.3 | -179.7 | 0 | 112.7 | R145 E146 R151 E152 V153 | R145-K149 WeakPolarHBondContact O-CB 3.26Å; R145-K149 WeakPolarHBondContact O-CG 2.93Å; R145-K149 PolarHBondContact O-N 3.09Å; E146-K149 PolarHBondContact O-N 2.86Å; K149-R151 VanDerWaalsContact C-N 3.35Å; K149-E152 PolarHBondContact O-N 3.43Å; K149-V153 WeakPolarHBondContact O-CB 3.44Å; K149-V153 WeakPolarHBondContact O-CG2 3.27Å; K149-V153 PolarHBondContact O-N 3.39Å |
| 150 | K | 86.4 | Confident | 87 | Confident | 128 Ų | 128 | 98.1 Ų | 98.1 | 56% | 0.557 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 173.5 | -74.3 | 161.1 | -172.7 | 152.2 | 0 | 110.9 | E146 E147 E148 L154 | E146-K150 WeakPolarHBondContact O-CB 3.48Å; E146-K150 WeakPolarHBondContact O-CD 3.43Å; E146-K150 VanDerWaalsContact O-CG 3.26Å; E146-K150 WeakPolarHBondContact O-CG 3.37Å; E146-K150 PolarHBondContact O-N 3.09Å; E146-K150 IonicContact OE2-NZ 3.36Å; E146-K150 PolarHBondContact OE2-NZ 3.11Å; E147-K150 CarbonylContact O-C 3.59Å; E147-K150 WeakPolarHBondContact O-CB 3.23Å; E147-K150 PolarHBondContact O-N 3.12Å; E148-K150 PolarHBondContact O-N 2.79Å; K150-L154 WeakPolarHBondContact O-CB 3.45Å; K150-L154 PolarHBondContact O-N 2.92Å; K150-L154 VanDerWaalsContact O-N 3.09Å |
| 151 | R | 87.6 | Confident | 87.2 | Confident | 167 Ų | 167 | 103 Ų | 103 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -46.5 | 172.7 | -85 | -169.1 | 174.9 | -168.7 | 1.9 | 111.9 | E147 E148 K149 V153 L154 T155 | E147-R151 PolarHBondContact O-N 2.67Å; E148-R151 CarbonylContact O-C 3.59Å; E148-R151 WeakPolarHBondContact O-CB 3.29Å; E148-R151 PolarHBondContact O-N 2.89Å; K149-R151 VanDerWaalsContact C-N 3.35Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 2.88Å; R151-L154 CarbonylContact O-C 3.58Å; R151-L154 WeakPolarHBondContact O-CA 3.42Å; R151-L154 WeakPolarHBondContact O-CB 3.23Å; R151-L154 PolarHBondContact O-N 2.69Å; R151-T155 WeakPolarHBondContact O-CG2 3.42Å; R151-T155 PolarHBondContact O-N 2.93Å; R151-T155 PolarHBondContact O-OG1 3.34Å |
| 152 | E | 90.8 | Very high | 87.3 | Confident | 91 Ų | 91 | 107 Ų | 107 | 43% | 0.425 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | 178.3 | -168.2 | -120.5 | 120.1 | 0 | 0 | 111.8 | E148 K149 L154 T155 N156 K159 | E148-E152 WeakPolarHBondContact O-CB 3.36Å; E148-E152 PolarHBondContact O-N 3.49Å; K149-E152 PolarHBondContact O-N 3.43Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.2Å; E152-T155 WeakPolarHBondContact CA-OG1 3.24Å; E152-T155 PolarHBondContact O-OG1 2.94Å; E152-N156 WeakPolarHBondContact O-CB 3.48Å; E152-N156 PolarHBondContact O-N 3.23Å; E152-K159 IonicContact OE1-NZ 2.62Å; E152-K159 PolarHBondContact OE1-NZ 3.39Å; E152-K159 IonicContact OE2-NZ 3.71Å |
| 153 | V | 85.7 | Confident | 87.3 | Confident | 45 Ų | 45 | 106 Ų | 106 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -30.8 | 172.4 | 171 | 0 | 0 | 0 | 0 | 112.5 | K149 R151 K159 M160 I163 | K149-V153 WeakPolarHBondContact O-CB 3.44Å; K149-V153 WeakPolarHBondContact O-CG2 3.27Å; K149-V153 PolarHBondContact O-N 3.39Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 2.88Å; V153-K159 HydrophobicContact CB-CD 4.47Å; V153-K159 HydrophobicContact CG1-CB 4.31Å; V153-K159 HydrophobicContact CG2-CD 4.08Å; V153-M160 HydrophobicContact CG1-CE 4.06Å; V153-M160 WeakPolarHBondContact O-CE 3.48Å; V153-I163 HydrophobicContact CG1-CD1 3.43Å; V153-I163 VanDerWaalsContact CG1-CD1 3.43Å |
| 154 | L | 82 | Confident | 87.3 | Confident | 111 Ų | 111 | 106 Ų | 106 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -83.5 | -37 | 179.1 | -179.6 | 60.3 | 0 | 0 | 0 | 113.6 | K150 R151 E152 M160 | K150-L154 WeakPolarHBondContact O-CB 3.45Å; K150-L154 PolarHBondContact O-N 2.92Å; K150-L154 VanDerWaalsContact O-N 3.09Å; R151-L154 CarbonylContact O-C 3.58Å; R151-L154 WeakPolarHBondContact O-CA 3.42Å; R151-L154 WeakPolarHBondContact O-CB 3.23Å; R151-L154 PolarHBondContact O-N 2.69Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.2Å; L154-M160 HydrophobicContact CB-CE 4.38Å; L154-M160 HydrophobicContact CD1-CE 4.04Å; L154-M160 HydrophobicContact CD1-CG 3.96Å; L154-M160 HydrophobicContact CD1-SD 3.51Å; L154-M160 VanDerWaalsContact CD1-SD 3.51Å; L154-M160 WeakPolarHBondContact O-CG 3.45Å |
| 155 | T | 87.8 | Confident | 87.4 | Confident | 109 Ų | 109 | 105.1 Ų | 105.1 | 67% | 0.669 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.6 | -32.4 | 175.5 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | R151 E152 P157 | R151-T155 WeakPolarHBondContact O-CG2 3.42Å; R151-T155 PolarHBondContact O-N 2.93Å; R151-T155 PolarHBondContact O-OG1 3.34Å; E152-T155 WeakPolarHBondContact CA-OG1 3.24Å; E152-T155 PolarHBondContact O-OG1 2.94Å; T155-P157 VanDerWaalsContact O-CD 3.23Å; T155-P157 WeakPolarHBondContact O-CD 3.41Å |
| 156 | N | 89.9 | Confident | 87.4 | Confident | 48 Ų | 48 | 103.9 Ų | 103.9 | 26% | 0.257 | 50% | 0.499 | S | S | . | . | trans | -67.7 | 111.6 | 175 | -175.6 | -49.1 | 0 | 0 | 0 | 111 | E152 V158 K159 M160 | E152-N156 WeakPolarHBondContact O-CB 3.48Å; E152-N156 PolarHBondContact O-N 3.23Å; N156-V158 VanDerWaalsContact C-N 3.27Å; N156-V158 PolarHBondContact O-N 3.34Å; N156-V158 WeakPolarHBondContact OD1-CB 3.45Å; N156-V158 PolarHBondContact OD1-N 2.82Å; N156-K159 HydrophobicContact CB-CB 4.11Å; N156-K159 HydrophobicContact CB-CD 4Å; N156-K159 HydrophobicContact CB-CG 4.13Å; N156-K159 PolarHBondContact O-N 2.85Å; N156-K159 PolarHBondContact OD1-N 3.39Å; N156-M160 WeakPolarHBondContact O-CB 3.27Å; N156-M160 PolarHBondContact O-N 3.42Å | ||
| 157 | P | 87.1 | Confident | 87.4 | Confident | 88 Ų | 88 | 104.5 Ų | 104.5 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.3 | -23.4 | -172.7 | 29 | -35.3 | 0 | 0 | 0 | 113 | T155 K161 | T155-P157 VanDerWaalsContact O-CD 3.23Å; T155-P157 WeakPolarHBondContact O-CD 3.41Å; P157-K161 WeakPolarHBondContact O-CB 3.47Å; P157-K161 VanDerWaalsContact O-CG 3.25Å; P157-K161 WeakPolarHBondContact O-CG 3.27Å; P157-K161 PolarHBondContact O-N 2.88Å |
| 158 | V | 90.7 | Very high | 87.4 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 66% | 0.661 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.8 | -48.5 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 110 | N156 M160 K161 K162 | N156-V158 VanDerWaalsContact C-N 3.27Å; N156-V158 PolarHBondContact O-N 3.34Å; N156-V158 WeakPolarHBondContact OD1-CB 3.45Å; N156-V158 PolarHBondContact OD1-N 2.82Å; V158-M160 VanDerWaalsContact C-N 3.3Å; V158-M160 PolarHBondContact O-N 2.93Å; V158-K161 PolarHBondContact O-N 2.99Å; V158-K162 PolarHBondContact O-N 2.96Å |
| 159 | K | 84 | Confident | 87.3 | Confident | 81 Ų | 81 | 105.7 Ų | 105.7 | 35% | 0.352 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 173.7 | -65.9 | 179.9 | -177.6 | 177 | 0 | 110.5 | E152 V153 N156 K162 I163 | E152-K159 IonicContact OE1-NZ 2.62Å; E152-K159 PolarHBondContact OE1-NZ 3.39Å; E152-K159 IonicContact OE2-NZ 3.71Å; V153-K159 HydrophobicContact CB-CD 4.47Å; V153-K159 HydrophobicContact CG1-CB 4.31Å; V153-K159 HydrophobicContact CG2-CD 4.08Å; N156-K159 HydrophobicContact CB-CB 4.11Å; N156-K159 HydrophobicContact CB-CD 4Å; N156-K159 HydrophobicContact CB-CG 4.13Å; N156-K159 PolarHBondContact O-N 2.85Å; N156-K159 PolarHBondContact OD1-N 3.39Å; K159-K162 PolarHBondContact O-N 3.11Å; K159-I163 WeakPolarHBondContact O-CG1 3.5Å; K159-I163 PolarHBondContact O-N 3.49Å |
| 160 | M | 85.2 | Confident | 87.1 | Confident | 30 Ų | 30 | 103.6 Ų | 103.6 | 15% | 0.148 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 174.8 | -92 | -57.7 | 109.5 | 0 | 0 | 114.8 | V153 L154 N156 V158 K162 I163 K164 | V153-M160 HydrophobicContact CG1-CE 4.06Å; V153-M160 WeakPolarHBondContact O-CE 3.48Å; L154-M160 HydrophobicContact CB-CE 4.38Å; L154-M160 HydrophobicContact CD1-CE 4.04Å; L154-M160 HydrophobicContact CD1-CG 3.96Å; L154-M160 HydrophobicContact CD1-SD 3.51Å; L154-M160 VanDerWaalsContact CD1-SD 3.51Å; L154-M160 WeakPolarHBondContact O-CG 3.45Å; N156-M160 WeakPolarHBondContact O-CB 3.27Å; N156-M160 PolarHBondContact O-N 3.42Å; V158-M160 VanDerWaalsContact C-N 3.3Å; V158-M160 PolarHBondContact O-N 2.93Å; M160-K162 VanDerWaalsContact C-N 3.35Å; M160-I163 HydrophobicContact CE-CB 4.24Å; M160-I163 HydrophobicContact CE-CD1 3.56Å; M160-I163 HydrophobicContact CE-CG1 4.49Å; M160-I163 HydrophobicContact CE-CG2 4.3Å; M160-I163 PolarHBondContact O-N 3.43Å; M160-K164 WeakPolarHBondContact O-CB 3.02Å; M160-K164 VanDerWaalsContact O-CG 3.28Å; M160-K164 WeakPolarHBondContact O-CG 3.19Å; M160-K164 PolarHBondContact O-N 3.43Å |
| 161 | K | 85.8 | Confident | 87.1 | Confident | 154 Ų | 154 | 101.7 Ų | 101.7 | 67% | 0.67 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60 | -46.3 | 174 | -81.3 | 173.4 | 179.8 | -177.7 | 0 | 110.8 | P157 V158 I163 K164 E165 | P157-K161 WeakPolarHBondContact O-CB 3.47Å; P157-K161 VanDerWaalsContact O-CG 3.25Å; P157-K161 WeakPolarHBondContact O-CG 3.27Å; P157-K161 PolarHBondContact O-N 2.88Å; V158-K161 PolarHBondContact O-N 2.99Å; K161-I163 PolarHBondContact O-N 3.1Å; K161-K164 PolarHBondContact O-N 2.8Å; K161-E165 WeakPolarHBondContact O-CB 3.4Å; K161-E165 PolarHBondContact O-N 2.9Å |
| 162 | K | 88 | Confident | 87 | Confident | 138 Ų | 138 | 98.8 Ų | 98.8 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -39 | 178.9 | -168.9 | 144.7 | -176 | 166.1 | 0 | 113 | V158 K159 M160 E165 M166 | V158-K162 PolarHBondContact O-N 2.96Å; K159-K162 PolarHBondContact O-N 3.11Å; M160-K162 VanDerWaalsContact C-N 3.35Å; K162-E165 PolarHBondContact O-N 3.16Å; K162-M166 WeakPolarHBondContact O-CG 3.49Å; K162-M166 PolarHBondContact O-N 3.07Å |
| 163 | I | 86.8 | Confident | 86.9 | Confident | 70 Ų | 70 | 100.8 Ų | 100.8 | 36% | 0.359 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 174.3 | -72.6 | 164.8 | 0 | 0 | 0 | 111.4 | V153 K159 M160 K161 E165 M166 L167 | V153-I163 HydrophobicContact CG1-CD1 3.43Å; V153-I163 VanDerWaalsContact CG1-CD1 3.43Å; K159-I163 WeakPolarHBondContact O-CG1 3.5Å; K159-I163 PolarHBondContact O-N 3.49Å; M160-I163 HydrophobicContact CE-CB 4.24Å; M160-I163 HydrophobicContact CE-CD1 3.56Å; M160-I163 HydrophobicContact CE-CG1 4.49Å; M160-I163 HydrophobicContact CE-CG2 4.3Å; M160-I163 PolarHBondContact O-N 3.43Å; K161-I163 PolarHBondContact O-N 3.1Å; I163-E165 VanDerWaalsContact C-N 3.31Å; I163-E165 PolarHBondContact O-N 2.93Å; I163-M166 HydrophobicContact CG1-CE 4.12Å; I163-M166 PolarHBondContact O-N 2.84Å; I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 2.79Å |
| 164 | K | 85.3 | Confident | 87.1 | Confident | 133 Ų | 133 | 105.7 Ų | 105.7 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62 | -37.2 | 175.2 | -73.2 | 171.5 | -178.5 | 178.1 | 0 | 112.4 | M160 K161 L167 R168 | M160-K164 WeakPolarHBondContact O-CB 3.02Å; M160-K164 VanDerWaalsContact O-CG 3.28Å; M160-K164 WeakPolarHBondContact O-CG 3.19Å; M160-K164 PolarHBondContact O-N 3.43Å; K161-K164 PolarHBondContact O-N 2.8Å; K164-L167 PolarHBondContact O-N 2.8Å; K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 2.99Å |
| 165 | E | 89.7 | Confident | 87.3 | Confident | 105 Ų | 105 | 104.7 Ų | 104.7 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -50.5 | 175.9 | -169.2 | -170.9 | 166.2 | 0 | 0 | 111.8 | K161 K162 I163 L167 R168 Q169 | K161-E165 WeakPolarHBondContact O-CB 3.4Å; K161-E165 PolarHBondContact O-N 2.9Å; K162-E165 PolarHBondContact O-N 3.16Å; I163-E165 VanDerWaalsContact C-N 3.31Å; I163-E165 PolarHBondContact O-N 2.93Å; E165-L167 PolarHBondContact O-N 2.96Å; E165-R168 WeakPolarHBondContact O-CB 3.44Å; E165-R168 PolarHBondContact O-N 3.43Å; E165-R168 VanDerWaalsContact O-N 3.15Å; E165-Q169 WeakPolarHBondContact O-CG 3.42Å; E165-Q169 PolarHBondContact O-N 2.91Å; E165-Q169 PolarHBondContact OE1-NE2 3.18Å |
| 166 | M | 88.6 | Confident | 87.4 | Confident | 93 Ų | 93 | 107.6 Ų | 107.6 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.5 | -36.2 | 175.4 | -71.2 | -171.8 | -59.7 | 0 | 0 | 112.2 | K162 I163 N170 | K162-M166 WeakPolarHBondContact O-CG 3.49Å; K162-M166 PolarHBondContact O-N 3.07Å; I163-M166 HydrophobicContact CG1-CE 4.12Å; I163-M166 PolarHBondContact O-N 2.84Å; M166-N170 PolarHBondContact O-N 3.4Å; M166-N170 PolarHBondContact O-ND2 3.34Å |
| 167 | L | 88.5 | Confident | 87.4 | Confident | 112 Ų | 112 | 113.3 Ų | 113.3 | 59% | 0.586 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.5 | -43.5 | 176.7 | -163.2 | 71.3 | 0 | 0 | 0 | 111.7 | I163 K164 E165 N170 L171 | I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 2.79Å; K164-L167 PolarHBondContact O-N 2.8Å; E165-L167 PolarHBondContact O-N 2.96Å; L167-N170 PolarHBondContact O-N 3.05Å; L167-L171 WeakPolarHBondContact O-CG 3.25Å; L167-L171 PolarHBondContact O-N 3.36Å |
| 168 | R | 85.4 | Confident | 87.5 | Confident | 178 Ų | 178 | 116.4 Ų | 116.4 | 67% | 0.672 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57.9 | -51.5 | 173.3 | -77.5 | 175.3 | 173.4 | -90.8 | 1.9 | 111.6 | K164 E165 N170 L171 D172 | K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 2.99Å; E165-R168 WeakPolarHBondContact O-CB 3.44Å; E165-R168 PolarHBondContact O-N 3.43Å; E165-R168 VanDerWaalsContact O-N 3.15Å; R168-N170 PolarHBondContact O-N 3.3Å; R168-N170 VanDerWaalsContact O-N 3.15Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 2.8Å; R168-D172 VanDerWaalsContact O-CG 3.31Å; R168-D172 PolarHBondContact O-N 3.21Å |
| 169 | Q | 87.9 | Confident | 87.5 | Confident | 88 Ų | 88 | 118.8 Ų | 118.8 | 41% | 0.411 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.4 | -33.4 | 178.9 | -67 | -178.3 | 15.4 | 0 | 0 | 113 | E165 K173 | E165-Q169 WeakPolarHBondContact O-CG 3.42Å; E165-Q169 PolarHBondContact O-N 2.91Å; E165-Q169 PolarHBondContact OE1-NE2 3.18Å; Q169-K173 WeakPolarHBondContact O-CB 2.95Å; Q169-K173 WeakPolarHBondContact O-CD 3.5Å; Q169-K173 WeakPolarHBondContact O-CG 3.4Å; Q169-K173 PolarHBondContact O-N 3.14Å; Q169-K173 VanDerWaalsContact O-N 3.14Å |
| 170 | N | 87.3 | Confident | 87.8 | Confident | 98 Ų | 98 | 124.4 Ų | 124.4 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.6 | -36.9 | 175.7 | -82.2 | -66.7 | 0 | 0 | 0 | 113.1 | M166 L167 R168 K174 | M166-N170 PolarHBondContact O-N 3.4Å; M166-N170 PolarHBondContact O-ND2 3.34Å; L167-N170 PolarHBondContact O-N 3.05Å; R168-N170 PolarHBondContact O-N 3.3Å; R168-N170 VanDerWaalsContact O-N 3.15Å; N170-K174 WeakPolarHBondContact O-CB 3.31Å; N170-K174 PolarHBondContact O-N 3.05Å |
| 171 | L | 86.2 | Confident | 88.1 | Confident | 88 Ų | 88 | 131 Ų | 131 | 46% | 0.461 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -46.5 | 172.3 | -69.2 | 169.1 | 0 | 0 | 0 | 111 | L167 R168 K173 K174 D175 | L167-L171 WeakPolarHBondContact O-CG 3.25Å; L167-L171 PolarHBondContact O-N 3.36Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 2.8Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.36Å; L171-K174 CarbonylContact O-C 3.57Å; L171-K174 WeakPolarHBondContact O-CA 3.38Å; L171-K174 WeakPolarHBondContact O-CB 3.47Å; L171-K174 PolarHBondContact O-N 2.92Å; L171-D175 PolarHBondContact O-N 2.97Å |
| 172 | D | 85.3 | Confident | 88.3 | Confident | 105 Ų | 105 | 130.8 Ų | 130.8 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.1 | -41.5 | 177.3 | -63.6 | -35 | 0 | 0 | 0 | 111.8 | R168 D175 K176 | R168-D172 VanDerWaalsContact O-CG 3.31Å; R168-D172 PolarHBondContact O-N 3.21Å; D172-D175 PolarHBondContact O-N 2.7Å; D172-K176 VanDerWaalsContact O-CB 3.22Å; D172-K176 WeakPolarHBondContact O-CB 3.15Å; D172-K176 PolarHBondContact O-N 2.72Å |
| 173 | K | 88.9 | Confident | 88.3 | Confident | 133 Ų | 133 | 128.4 Ų | 128.4 | 58% | 0.578 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.9 | -42.2 | 172.5 | -74.8 | 167.4 | -173.3 | 173.3 | 0 | 111.9 | Q169 L171 K177 | Q169-K173 WeakPolarHBondContact O-CB 2.95Å; Q169-K173 WeakPolarHBondContact O-CD 3.5Å; Q169-K173 WeakPolarHBondContact O-CG 3.4Å; Q169-K173 PolarHBondContact O-N 3.14Å; Q169-K173 VanDerWaalsContact O-N 3.14Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.36Å; K173-K177 WeakPolarHBondContact O-CB 3.47Å; K173-K177 PolarHBondContact O-N 2.88Å |
| 174 | K | 88.1 | Confident | 88.6 | Confident | 149 Ų | 149 | 131.7 Ų | 131.7 | 65% | 0.648 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66 | -42.9 | 178.6 | -171.2 | 178.4 | -178.3 | 179.3 | 0 | 111.6 | N170 L171 K177 K178 | N170-K174 WeakPolarHBondContact O-CB 3.31Å; N170-K174 PolarHBondContact O-N 3.05Å; L171-K174 CarbonylContact O-C 3.57Å; L171-K174 WeakPolarHBondContact O-CA 3.38Å; L171-K174 WeakPolarHBondContact O-CB 3.47Å; L171-K174 PolarHBondContact O-N 2.92Å; K174-K177 WeakPolarHBondContact O-CB 3.35Å; K174-K177 PolarHBondContact O-N 3.01Å; K174-K178 WeakPolarHBondContact O-CB 3.25Å; K174-K178 PolarHBondContact O-N 2.95Å |
| 175 | D | 86.5 | Confident | 88.7 | Confident | 89 Ų | 89 | 133.4 Ų | 133.4 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74 | -36.7 | 179.4 | -74.6 | -30.9 | 0 | 0 | 0 | 112.4 | L171 D172 K177 K178 K179 | L171-D175 PolarHBondContact O-N 2.97Å; D172-D175 PolarHBondContact O-N 2.7Å; D175-K177 VanDerWaalsContact C-N 3.31Å; D175-K177 PolarHBondContact O-N 3.12Å; D175-K178 PolarHBondContact O-N 3.39Å; D175-K179 WeakPolarHBondContact O-CB 3.27Å; D175-K179 PolarHBondContact O-N 2.94Å |
| 176 | K | 90 | Very high | 88.6 | Confident | 170 Ų | 170 | 133.8 Ų | 133.8 | 74% | 0.739 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.7 | -39.6 | 169.5 | -163.4 | 167.6 | -173.9 | 172.6 | 0 | 111.4 | D172 R180 | D172-K176 VanDerWaalsContact O-CB 3.22Å; D172-K176 WeakPolarHBondContact O-CB 3.15Å; D172-K176 PolarHBondContact O-N 2.72Å; K176-R180 WeakPolarHBondContact O-CB 3.38Å; K176-R180 PolarHBondContact O-N 2.67Å |
| 177 | K | 90.4 | Very high | 88.5 | Confident | 168 Ų | 168 | 135.8 Ų | 135.8 | 73% | 0.73 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.5 | -41.2 | 172.6 | -171.4 | 174.7 | -177.4 | 175.5 | 0 | 112.1 | K173 K174 D175 K181 | K173-K177 WeakPolarHBondContact O-CB 3.47Å; K173-K177 PolarHBondContact O-N 2.88Å; K174-K177 WeakPolarHBondContact O-CB 3.35Å; K174-K177 PolarHBondContact O-N 3.01Å; D175-K177 VanDerWaalsContact C-N 3.31Å; D175-K177 PolarHBondContact O-N 3.12Å; K177-K181 PolarHBondContact O-N 2.65Å |
| 178 | K | 89.1 | Confident | 88.3 | Confident | 153 Ų | 153 | 138.9 Ų | 138.9 | 67% | 0.665 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.8 | -45.1 | 176.7 | -169.5 | 178.8 | 178.2 | -174.5 | 0 | 111.9 | K174 D175 K181 K182 | K174-K178 WeakPolarHBondContact O-CB 3.25Å; K174-K178 PolarHBondContact O-N 2.95Å; D175-K178 PolarHBondContact O-N 3.39Å; K178-K181 PolarHBondContact O-N 3.45Å; K178-K182 PolarHBondContact O-N 2.79Å |
| 179 | K | 89.9 | Confident | 88.2 | Confident | 160 Ų | 160 | 131.6 Ų | 131.6 | 70% | 0.696 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.3 | -49.8 | 175.3 | -171.8 | 173.2 | -179.1 | 176.6 | 0 | 111.2 | D175 K181 K182 E183 | D175-K179 WeakPolarHBondContact O-CB 3.27Å; D175-K179 PolarHBondContact O-N 2.94Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.89Å; K179-K182 PolarHBondContact O-N 3.07Å; K179-K182 VanDerWaalsContact O-N 3.1Å; K179-E183 PolarHBondContact O-N 2.89Å |
| 180 | R | 91.3 | Very high | 87.9 | Confident | 199 Ų | 199 | 131.8 Ų | 131.8 | 75% | 0.751 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.6 | -33.8 | 176.1 | -167.7 | 176.5 | -179.9 | -167.9 | 0.1 | 112.8 | K176 K184 | K176-R180 WeakPolarHBondContact O-CB 3.38Å; K176-R180 PolarHBondContact O-N 2.67Å; R180-K184 WeakPolarHBondContact O-CB 3.34Å; R180-K184 PolarHBondContact O-N 2.99Å; R180-K184 VanDerWaalsContact O-N 3.16Å |
| 181 | K | 90.8 | Very high | 87.7 | Confident | 168 Ų | 168 | 134.4 Ų | 134.4 | 73% | 0.73 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.7 | -39.5 | 173.5 | -172.3 | 175.2 | -178.3 | -178.8 | 0 | 112.3 | K177 K178 K179 K185 | K177-K181 PolarHBondContact O-N 2.65Å; K178-K181 PolarHBondContact O-N 3.45Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.89Å; K181-K185 PolarHBondContact O-N 2.9Å; K181-K185 VanDerWaalsContact O-N 3.15Å |
| 182 | K | 90 | Very high | 87.3 | Confident | 150 Ų | 150 | 136.8 Ų | 136.8 | 65% | 0.652 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.1 | -52.6 | 175.3 | -174 | -178.4 | 175.1 | -173.7 | 0 | 110.8 | K178 K179 K184 K185 E186 | K178-K182 PolarHBondContact O-N 2.79Å; K179-K182 PolarHBondContact O-N 3.07Å; K179-K182 VanDerWaalsContact O-N 3.1Å; K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 3.39Å; K182-K185 WeakPolarHBondContact O-CA 3.33Å; K182-K185 WeakPolarHBondContact O-CB 3.39Å; K182-K185 PolarHBondContact O-N 3.19Å; K182-E186 PolarHBondContact O-N 3.2Å |
| 183 | E | 89.4 | Confident | 86.9 | Confident | 88 Ų | 88 | 139.7 Ų | 139.7 | 41% | 0.411 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.3 | -39.5 | 179.5 | -166.1 | -162.1 | 144.8 | 0 | 0 | 112.3 | K179 K185 E186 K187 | K179-E183 PolarHBondContact O-N 2.89Å; E183-K185 VanDerWaalsContact C-N 3.33Å; E183-K185 PolarHBondContact O-N 3.12Å; E183-E186 PolarHBondContact O-N 3.48Å; E183-K187 HydrophobicContact CG-CD 4.43Å; E183-K187 WeakPolarHBondContact O-CB 3.38Å; E183-K187 WeakPolarHBondContact O-CG 3.1Å; E183-K187 PolarHBondContact O-N 2.89Å; E183-K187 WeakPolarHBondContact OE1-CE 3.45Å; E183-K187 IonicContact OE1-NZ 2.65Å; E183-K187 PolarHBondContact OE1-NZ 2.85Å |
| 184 | K | 91.7 | Very high | 86.4 | Confident | 138 Ų | 138 | 141.6 Ų | 141.6 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.5 | -29.5 | 174.7 | -171 | 173.2 | -177.9 | 176.6 | 0 | 113.1 | R180 K182 R188 | R180-K184 WeakPolarHBondContact O-CB 3.34Å; R180-K184 PolarHBondContact O-N 2.99Å; R180-K184 VanDerWaalsContact O-N 3.16Å; K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 3.39Å; K184-R188 WeakPolarHBondContact O-CG 3.44Å; K184-R188 PolarHBondContact O-N 2.99Å |
| 185 | K | 88.8 | Confident | 85.7 | Confident | 169 Ų | 169 | 140.8 Ų | 140.8 | 74% | 0.735 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.8 | -42.9 | 174.1 | -168.4 | -176.2 | 178.5 | -174.8 | 0 | 110.7 | K181 K182 E183 R188 G189 | K181-K185 PolarHBondContact O-N 2.9Å; K181-K185 VanDerWaalsContact O-N 3.15Å; K182-K185 WeakPolarHBondContact O-CA 3.33Å; K182-K185 WeakPolarHBondContact O-CB 3.39Å; K182-K185 PolarHBondContact O-N 3.19Å; E183-K185 VanDerWaalsContact C-N 3.33Å; E183-K185 PolarHBondContact O-N 3.12Å; K185-R188 WeakPolarHBondContact O-CB 3.4Å; K185-R188 PolarHBondContact O-N 2.87Å; K185-G189 PolarHBondContact O-N 3.43Å |
| 186 | E | 86.4 | Confident | 84.9 | Confident | 113 Ų | 113 | 141.3 Ų | 141.3 | 53% | 0.528 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.5 | -51.8 | 178.7 | -164.9 | 158.6 | -151.1 | 0 | 0 | 111.4 | K182 E183 R188 G189 D190 | K182-E186 PolarHBondContact O-N 3.2Å; E183-E186 PolarHBondContact O-N 3.48Å; E186-R188 PolarHBondContact O-N 2.88Å; E186-R188 VanDerWaalsContact O-N 3.14Å; E186-G189 PolarHBondContact O-N 3.31Å; E186-D190 PolarHBondContact O-N 2.98Å |
| 187 | K | 87.5 | Confident | 84 | Confident | 136 Ų | 136 | 140.8 Ų | 140.8 | 59% | 0.591 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.1 | -25.8 | 173.3 | -73.6 | 176.1 | 174.2 | 171.9 | 0 | 114.1 | E183 K191 | E183-K187 HydrophobicContact CG-CD 4.43Å; E183-K187 WeakPolarHBondContact O-CB 3.38Å; E183-K187 WeakPolarHBondContact O-CG 3.1Å; E183-K187 PolarHBondContact O-N 2.89Å; E183-K187 WeakPolarHBondContact OE1-CE 3.45Å; E183-K187 IonicContact OE1-NZ 2.65Å; E183-K187 PolarHBondContact OE1-NZ 2.85Å; K187-K191 PolarHBondContact O-N 3.47Å |
| 188 | R | 83.6 | Confident | 82.9 | Confident | 176 Ų | 176 | 140 Ų | 140 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75.7 | -46.7 | 172 | -83.5 | -177.5 | 169.5 | -167.6 | -4.6 | 111.5 | K184 K185 E186 D190 K191 E192 | K184-R188 WeakPolarHBondContact O-CG 3.44Å; K184-R188 PolarHBondContact O-N 2.99Å; K185-R188 WeakPolarHBondContact O-CB 3.4Å; K185-R188 PolarHBondContact O-N 2.87Å; E186-R188 PolarHBondContact O-N 2.88Å; E186-R188 VanDerWaalsContact O-N 3.14Å; R188-D190 PolarHBondContact O-N 3.22Å; R188-K191 PolarHBondContact O-N 3.27Å; R188-E192 PolarHBondContact O-N 3.18Å |
| 189 | G | 83.4 | Confident | 81.5 | Confident | 25 Ų | 25 | 138.7 Ų | 138.7 | 26% | 0.258 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.4 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K185 E186 E192 R193 | K185-G189 PolarHBondContact O-N 3.43Å; E186-G189 PolarHBondContact O-N 3.31Å; G189-E192 WeakPolarHBondContact O-CB 3.44Å; G189-E192 PolarHBondContact O-N 2.93Å; G189-R193 WeakPolarHBondContact O-CG 3.35Å; G189-R193 PolarHBondContact O-N 3.29Å |
| 190 | D | 82 | Confident | 80 | Confident | 93 Ų | 93 | 137.2 Ų | 137.2 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.1 | -36.5 | 175.2 | -77.5 | -22.5 | 0 | 0 | 0 | 112.8 | E186 R188 E192 K194 | E186-D190 PolarHBondContact O-N 2.98Å; R188-D190 PolarHBondContact O-N 3.22Å; D190-E192 VanDerWaalsContact C-N 3.26Å; D190-E192 PolarHBondContact O-N 2.9Å; D190-K194 VanDerWaalsContact O-CB 3.29Å; D190-K194 WeakPolarHBondContact O-CB 3.46Å; D190-K194 PolarHBondContact O-N 2.85Å |
| 191 | K | 81.6 | Confident | 78.4 | Confident | 152 Ų | 152 | 138.1 Ų | 138.1 | 66% | 0.661 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.2 | -33.6 | 174.6 | -167.5 | 170.6 | -174.4 | 173.7 | 0 | 111.6 | K187 R188 K195 | K187-K191 PolarHBondContact O-N 3.47Å; R188-K191 PolarHBondContact O-N 3.27Å; K191-K195 WeakPolarHBondContact O-CG 3.28Å; K191-K195 PolarHBondContact O-N 3.17Å |
| 192 | E | 77.7 | Confident | 76.6 | Confident | 139 Ų | 139 | 139.6 Ų | 139.6 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.6 | -50.3 | 176.1 | -169.6 | 161.6 | -140.2 | 0 | 0 | 111.8 | R188 G189 D190 K194 K195 E196 | R188-E192 PolarHBondContact O-N 3.18Å; G189-E192 WeakPolarHBondContact O-CB 3.44Å; G189-E192 PolarHBondContact O-N 2.93Å; D190-E192 VanDerWaalsContact C-N 3.26Å; D190-E192 PolarHBondContact O-N 2.9Å; E192-K194 VanDerWaalsContact C-N 3.25Å; E192-K194 PolarHBondContact O-N 2.69Å; E192-K195 WeakPolarHBondContact O-CA 3.5Å; E192-K195 WeakPolarHBondContact O-CB 3.43Å; E192-K195 PolarHBondContact O-N 2.6Å; E192-E196 PolarHBondContact O-N 3.39Å |
| 193 | R | 78.4 | Confident | 74.7 | Confident | 166 Ų | 166 | 137.7 Ų | 137.7 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -55.4 | -38 | 172 | -74.1 | 171.8 | 166.9 | -176.9 | -6.5 | 112.8 | G189 E196 K197 | G189-R193 WeakPolarHBondContact O-CG 3.35Å; G189-R193 PolarHBondContact O-N 3.29Å; R193-E196 PolarHBondContact O-N 3.39Å; R193-K197 WeakPolarHBondContact O-CG 3.42Å; R193-K197 PolarHBondContact O-N 3.34Å |
| 194 | K | 76.9 | Confident | 72.5 | Confident | 172 Ų | 172 | 138.5 Ų | 138.5 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.5 | -31.6 | 176.2 | -167.9 | 170.1 | -176.2 | 174 | 0 | 112.6 | D190 E192 K198 | D190-K194 VanDerWaalsContact O-CB 3.29Å; D190-K194 WeakPolarHBondContact O-CB 3.46Å; D190-K194 PolarHBondContact O-N 2.85Å; E192-K194 VanDerWaalsContact C-N 3.25Å; E192-K194 PolarHBondContact O-N 2.69Å; K194-K198 PolarHBondContact O-N 2.8Å |
| 195 | K | 74.4 | Confident | 70.2 | Confident | 133 Ų | 133 | 137 Ų | 137 | 58% | 0.578 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.9 | -50 | 169.5 | -74.7 | -179.8 | 174 | -168.1 | 0 | 110.9 | K191 E192 K197 K198 H199 | K191-K195 WeakPolarHBondContact O-CG 3.28Å; K191-K195 PolarHBondContact O-N 3.17Å; E192-K195 WeakPolarHBondContact O-CA 3.5Å; E192-K195 WeakPolarHBondContact O-CB 3.43Å; E192-K195 PolarHBondContact O-N 2.6Å; K195-K197 VanDerWaalsContact C-N 3.33Å; K195-K197 PolarHBondContact O-N 2.83Å; K195-K198 WeakPolarHBondContact O-CA 3.23Å; K195-K198 WeakPolarHBondContact O-CB 3.11Å; K195-K198 PolarHBondContact O-N 3.21Å; K195-H199 PolarHBondContact O-CD2 3.14Å; K195-H199 PolarHBondContact O-N 3.45Å; K195-H199 VanDerWaalsContact O-N 3.07Å |
| 196 | E | 69.9 | Low | 67.9 | Low | 100 Ų | 100 | 134.5 Ų | 134.5 | 47% | 0.467 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -56.6 | -45.4 | -178.3 | -162.6 | -156.3 | 140 | 0 | 0 | 111.9 | E192 R193 K198 H199 K200 | E192-E196 PolarHBondContact O-N 3.39Å; R193-E196 PolarHBondContact O-N 3.39Å; E196-K198 PolarHBondContact O-N 3.26Å; E196-H199 PolarHBondContact O-N 3.32Å; E196-H199 VanDerWaalsContact O-N 3.08Å; E196-K200 PolarHBondContact O-N 2.98Å; E196-K200 WeakPolarHBondContact OE1-CE 3.41Å; E196-K200 IonicContact OE1-NZ 2.69Å; E196-K200 PolarHBondContact OE1-NZ 2.91Å |
| 197 | K | 71.6 | Confident | 65.5 | Low | 159 Ų | 159 | 135 Ų | 135 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.2 | -29 | 173.2 | -73.7 | -175.4 | 176.5 | -173.1 | 0 | 113.7 | R193 K195 R201 | R193-K197 WeakPolarHBondContact O-CG 3.42Å; R193-K197 PolarHBondContact O-N 3.34Å; K195-K197 VanDerWaalsContact C-N 3.33Å; K195-K197 PolarHBondContact O-N 2.83Å; K197-R201 PolarHBondContact O-N 2.89Å |
| 198 | K | 66.1 | Low | 62.9 | Low | 151 Ų | 151 | 134.1 Ų | 134.1 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76 | -31 | 174.9 | -168.3 | 175.4 | 175.9 | 176.7 | 0 | 112.2 | K194 K195 E196 | K194-K198 PolarHBondContact O-N 2.8Å; K195-K198 WeakPolarHBondContact O-CA 3.23Å; K195-K198 WeakPolarHBondContact O-CB 3.11Å; K195-K198 PolarHBondContact O-N 3.21Å; E196-K198 PolarHBondContact O-N 3.26Å |
| 199 | H | 59.7 | Low | 60.6 | Low | 125 Ų | 125 | 134 Ų | 134 | 58% | 0.579 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74 | -43.2 | 173.7 | -72.1 | -80.3 | 0 | 0 | 0 | 112 | K195 E196 R201 R202 | K195-H199 PolarHBondContact O-CD2 3.14Å; K195-H199 PolarHBondContact O-N 3.45Å; K195-H199 VanDerWaalsContact O-N 3.07Å; E196-H199 PolarHBondContact O-N 3.32Å; E196-H199 VanDerWaalsContact O-N 3.08Å; H199-R201 VanDerWaalsContact C-N 3.26Å; H199-R201 PolarHBondContact O-N 3.41Å; H199-R202 WeakPolarHBondContact O-CB 3.48Å; H199-R202 PolarHBondContact O-N 2.88Å |
| 200 | K | 58.8 | Low | 58.3 | Low | 129 Ų | 129 | 141.9 Ų | 141.9 | 56% | 0.561 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -60.8 | -29.3 | 176.8 | -81.9 | 173.4 | 170.2 | 162 | 0 | 114.3 | E196 R202 T203 | E196-K200 PolarHBondContact O-N 2.98Å; E196-K200 WeakPolarHBondContact OE1-CE 3.41Å; E196-K200 IonicContact OE1-NZ 2.69Å; E196-K200 PolarHBondContact OE1-NZ 2.91Å; K200-R202 PolarHBondContact O-N 3.44Å; K200-T203 PolarHBondContact O-OG1 3.29Å |
| 201 | R | 56.6 | Low | 56.1 | Low | 218 Ų | 218 | 146.3 Ų | 146.3 | 82% | 0.823 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -6.4 | 172.4 | -77.7 | -172.7 | 173.3 | -170.5 | -3.3 | 114.8 | K197 H199 | K197-R201 PolarHBondContact O-N 2.89Å; H199-R201 VanDerWaalsContact C-N 3.26Å; H199-R201 PolarHBondContact O-N 3.41Å |
| 202 | R | 54.3 | Low | 54.1 | Low | 199 Ų | 199 | 142 Ų | 142 | 75% | 0.751 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -5.6 | 176.5 | -81.9 | -176.6 | 153.2 | -176.5 | -9.8 | 113.7 | H199 K200 | H199-R202 WeakPolarHBondContact O-CB 3.48Å; H199-R202 PolarHBondContact O-N 2.88Å; K200-R202 PolarHBondContact O-N 3.44Å |
| 203 | T | 49.1 | Very low | 52 | Low | 110 Ų | 110 | 142 Ų | 142 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -113.1 | 6.3 | -175.8 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | K200 S205 | K200-T203 PolarHBondContact O-OG1 3.29Å; T203-S205 VanDerWaalsContact C-N 3.28Å; T203-S205 PolarHBondContact O-N 3.2Å |
| 204 | S | 44.7 | Very low | 50.3 | Low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -92.7 | 31.9 | 177.9 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 205 | S | 43.4 | Very low | 48.2 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -142.1 | 52.7 | 178 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | T203 | T203-S205 VanDerWaalsContact C-N 3.28Å; T203-S205 PolarHBondContact O-N 3.2Å |
| 206 | S | 39.6 | Very low | 46.3 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -156.4 | 99.1 | 159.2 | -167.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 207 | S | 35.6 | Very low | 44.7 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | trans | -103.3 | 116.5 | 176.1 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 208 | S | 33 | Very low | 43 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -157.2 | 150.2 | 160.9 | -162.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 209 | E | 36.1 | Very low | 41.5 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | -96 | 155 | -158.5 | -53 | 176.4 | 146.3 | 0 | 0 | 112.2 | ||||
| 210 | E | 35.2 | Very low | 40.4 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | 172 | 155.3 | 110.3 | -90.1 | -151.6 | 133.4 | 0 | 0 | 113.5 | |||||
| 211 | E | 36.3 | Very low | 39.3 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -60.1 | 170.5 | 160.2 | -63.6 | -75.8 | 160.5 | 0 | 0 | 110.6 | ||||
| 212 | G | 38 | Very low | 38.2 | Very low | 62 Ų | 62 | 146.3 Ų | 146.3 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | cis | 159.7 | 173.5 | 2.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 213 | D | 35.1 | Very low | 37.1 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 84 | 171.5 | 164.4 | -131.4 | -18.4 | 0 | 0 | 0 | 121.8 | ||||
| 214 | K | 41.6 | Very low | 36.5 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -112.5 | -178.1 | -140.7 | -66.4 | 165.2 | -149.1 | 80.9 | 0 | 116.1 | ||||
| 215 | H | 33.3 | Very low | 36 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 100.9 | 158.6 | 153.4 | -61.7 | -69.1 | 0 | 0 | 0 | 118 | ||||
| 216 | R | 34.8 | Very low | 35.5 | Very low | 208 Ų | 208 | 148.4 Ų | 148.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | cis | -178.5 | 135.6 | -33.3 | -173.4 | -174.1 | -162.6 | 162.9 | 0.8 | 107.9 | ||||
| 217 | S | 36.8 | Very low | 35.3 | Very low | 85 Ų | 85 | 152.6 Ų | 152.6 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | trans | 57.4 | 132.5 | 164.2 | 48.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 218 | H | 33.9 | Very low | 35.2 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | -178.4 | -178.4 | 78.4 | -93.3 | -75.3 | 0 | 0 | 0 | 108.8 | |||||
| 219 | L | 35.5 | Very low | 35.3 | Very low | 153 Ų | 153 | 157 Ų | 157 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | cis | -144.4 | -125.7 | 4.5 | -141.8 | 171 | 0 | 0 | 0 | 111.2 | ||||
| 220 | R | 36.3 | Very low | 35.1 | Very low | 218 Ų | 218 | 153.5 Ų | 153.5 | 82% | 0.823 | 75% | 0.754 | S | S | * | * | trans | -149.8 | 155.9 | 172.3 | -98.8 | 177.3 | 152.1 | -132.6 | 1.6 | 106.9 | ||||
| 221 | D | 35.8 | Very low | 35.2 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -153.6 | 170.1 | 141.7 | -136.3 | -25.7 | 0 | 0 | 0 | 113.3 | ||||
| 222 | E | 34.5 | Very low | 35 | Very low | 137 Ų | 137 | 154.2 Ų | 154.2 | 64% | 0.64 | 75% | 0.747 | S | S | * | * | trans | -96.6 | 170.1 | -160 | -75.1 | -160.4 | 119.3 | 0 | 0 | 118.4 | ||||
| 223 | F | 30.8 | Very low | 35 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | 13.9 | 155.1 | 144.7 | -68.3 | -65.6 | 0 | 0 | 0 | 121.2 | ||||
| 224 | K | 37 | Very low | 35.6 | Very low | 172 Ų | 172 | 156.8 Ų | 156.8 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -164.9 | 135.8 | 16.5 | -113.3 | 151.1 | -165.9 | 173.4 | 0 | 106.7 | ||||
| 225 | D | 32.4 | Very low | 35.1 | Very low | 148 Ų | 148 | 152.8 Ų | 152.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | 101 | 146 | 84.5 | -168.3 | 28.2 | 0 | 0 | 0 | 116.2 | |||||
| 226 | S | 33.4 | Very low | 35.3 | Very low | 83 Ų | 83 | 157 Ų | 157 | 58% | 0.58 | 77% | 0.766 | S | S | * | * | trans | 75.6 | 106.9 | 163.3 | 81.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 227 | K | 34.9 | Very low | 35.4 | Very low | 204 Ų | 204 | 150.5 Ų | 150.5 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | -168.9 | 168.8 | 113.3 | -124 | 74.7 | 177.8 | -172.1 | 0 | 111.5 | |||||
| 228 | S | 34.8 | Very low | 35.7 | Very low | 99 Ų | 99 | 155.1 Ų | 155.1 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -133.6 | 169.2 | -154.4 | 57.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 229 | R | 34 | Very low | 35.8 | Very low | 234 Ų | 234 | 155.9 Ų | 155.9 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | 90 | 103.2 | 159.4 | -67.3 | 175.7 | 165.9 | 151.9 | -4 | 121.1 | ||||
| 230 | S | 32.8 | Very low | 35.7 | Very low | 100 Ų | 100 | 156.7 Ų | 156.7 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | 77.7 | 109.5 | 111.9 | -160.7 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 231 | R | 36.7 | Very low | 36 | Very low | 230 Ų | 230 | 152.7 Ų | 152.7 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | 178.4 | 116.1 | 106.8 | -98.3 | 174.2 | -89.8 | -153.4 | -1.5 | 115.7 | |||||
| 232 | H | 32.1 | Very low | 36 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | 60.3 | 123.5 | 126.5 | -136.7 | 37 | 0 | 0 | 0 | 124.7 | |||||
| 233 | L | 37.8 | Very low | 36.1 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 71% | 0.707 | 80% | 0.798 | S | S | * | * | trans | 72.9 | 154.5 | 149.9 | -65.5 | 171.3 | 0 | 0 | 0 | 121.3 | ||||
| 234 | P | 48 | Very low | 36.3 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | -140.9 | 170.4 | -52.2 | 37.9 | -20.6 | 0 | 0 | 0 | 114.3 | |||||
| 235 | G | 31.7 | Very low | 36.1 | Very low | 72 Ų | 72 | 147.7 Ų | 147.7 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 151 | 61.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 236 | Y | 36.3 | Very low | 36.2 | Very low | 242 Ų | 242 | 148 Ų | 148 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | trans | 45.8 | 105.8 | 158.1 | -91.1 | -93 | 0 | 0 | 0 | 120.4 | ||||
| 237 | G | 37.6 | Very low | 36.2 | Very low | 71 Ų | 71 | 152.7 Ų | 152.7 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -133.6 | 137 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 238 | L | 42.5 | Very low | 36 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | -87.7 | 122.4 | 169.3 | -89.9 | 159.5 | 0 | 0 | 0 | 109.1 | ||||
| 239 | Q | 36.3 | Very low | 36 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -118.8 | 134.1 | 171.2 | -73.5 | -179.8 | -8.9 | 0 | 0 | 109.9 | ||||
| 240 | L | 34.7 | Very low | 35.9 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -113.3 | 131.8 | 166.5 | -71.3 | 171 | 0 | 0 | 0 | 108 | ||||
| 241 | P | 41.9 | Very low | 35.9 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -83.4 | 154.5 | -175.9 | 33.2 | -35.1 | 0 | 0 | 0 | 112.9 | ||||
| 242 | S | 36.7 | Very low | 35.6 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -117.7 | 130.9 | -178.6 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 243 | G | 35.9 | Very low | 35.6 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | 90 | 162 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 244 | R | 34.1 | Very low | 35.3 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | cis | -166.8 | 147.3 | -8.6 | -159.9 | -175.6 | 170.3 | -164.1 | -8.7 | 111.4 | ||||
| 245 | H | 32.8 | Very low | 34.7 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 52% | 0.523 | 78% | 0.784 | S | S | . | * | trans | 73.2 | 128.2 | 156.1 | -83.1 | -50.4 | 0 | 0 | 0 | 125.2 | ||||
| 246 | H | 34.1 | Very low | 34.8 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 42.4 | 129.5 | 136 | -57.5 | -29.6 | 0 | 0 | 0 | 120.9 | ||||
| 247 | Q | 34.9 | Very low | 34.6 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | -153.7 | 175.7 | 61.1 | -101.5 | -68.3 | 15.4 | 0 | 0 | 113.1 | |||||
| 248 | A | 31.2 | Very low | 34.6 | Very low | 79 Ų | 79 | 140.1 Ų | 140.1 | 65% | 0.653 | 77% | 0.774 | S | S | * | * | trans | -90.2 | 169.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 249 | S | 33.1 | Very low | 34.2 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 121 | 120.8 | 134.9 | 78 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 250 | V | 32.6 | Very low | 33.9 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | 74.5 | 111.7 | 126.2 | 174 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 251 | M | 32.6 | Very low | 33.8 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | 64.6 | 165 | 147.6 | -63.6 | -67.2 | 105.1 | 0 | 0 | 116.5 | ||||
| 252 | S | 31.2 | Very low | 33.5 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | cis | 180 | 147.7 | -18.4 | 167.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 253 | S | 30.9 | Very low | 33.5 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | 148.7 | 152.4 | 127.7 | 62.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 254 | N | 32.8 | Very low | 33.3 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 61.7 | 112.3 | 155.5 | -90.6 | 14.1 | 0 | 0 | 0 | 119.8 | ||||
| 255 | S | 34.6 | Very low | 33.4 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 88.9 | 137.6 | 69.6 | 74.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 256 | G | 33.7 | Very low | 34.3 | Very low | 64 Ų | 64 | 144.6 Ų | 144.6 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | cis | 151.2 | 154.6 | -0 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 257 | R | 33.6 | Very low | 34.4 | Very low | 217 Ų | 217 | 144.6 Ų | 144.6 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | trans | 70.5 | 153.5 | -178.9 | -53.8 | -177.6 | 173.2 | -156.8 | -1 | 114.2 | ||||
| 258 | R | 35.8 | Very low | 34.3 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | cis | -165.3 | 137.6 | -8.2 | -118.3 | 178.7 | -172 | 179.2 | -1.8 | 104.4 | ||||
| 259 | E | 34.3 | Very low | 34.7 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | 164.5 | 150.8 | 77.8 | -93.2 | -122.8 | 171.4 | 0 | 0 | 108.3 | |||||
| 260 | R | 30.3 | Very low | 34.8 | Very low | 228 Ų | 228 | 153.4 Ų | 153.4 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | -176.7 | 115.1 | 116.7 | -151.2 | 86 | -172.3 | -169.8 | 3.4 | 112.9 | |||||
| 261 | S | 33.8 | Very low | 35.1 | Very low | 102 Ų | 102 | 156 Ų | 156 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 47 | 133.1 | 148.9 | 60.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 262 | R | 34.2 | Very low | 35.2 | Very low | 243 Ų | 243 | 154 Ų | 154 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | -107.9 | 153.9 | 159.8 | -73.6 | 173.4 | 164.7 | 143.7 | -8 | 111.7 | ||||
| 263 | S | 38.2 | Very low | 35.4 | Very low | 112 Ų | 112 | 155.3 Ų | 155.3 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | 171.1 | 157.8 | 141.6 | 42.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 264 | R | 31.9 | Very low | 35.8 | Very low | 230 Ų | 230 | 161.1 Ų | 161.1 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | cis | -158.9 | 126.1 | 3.1 | -124.7 | 163.3 | 175.5 | 161.2 | -5.6 | 104.6 | ||||
| 265 | S | 35.8 | Very low | 35.8 | Very low | 110 Ų | 110 | 159.9 Ų | 159.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 154.4 | 166.8 | 93.3 | -83.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 266 | P | 51.2 | Low | 35.8 | Very low | 117 Ų | 117 | 165.1 Ų | 165.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -126.9 | 170.3 | -153.9 | 43.3 | -30.4 | 0 | 0 | 0 | 117.7 | ||||
| 267 | H | 36.7 | Very low | 35.8 | Very low | 156 Ų | 156 | 165.2 Ų | 165.2 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 58.2 | 130 | 148.8 | -125.3 | -64 | 0 | 0 | 0 | 121.2 | ||||
| 268 | R | 32.2 | Very low | 35.8 | Very low | 241 Ų | 241 | 160 Ų | 160 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -153.5 | 109.6 | 141.8 | -116.3 | 175.6 | -172.6 | -170.1 | 1.2 | 111.8 | ||||
| 269 | N | 40.6 | Very low | 35.8 | Very low | 128 Ų | 128 | 156 Ų | 156 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | trans | -83.4 | 146.3 | 154.2 | -83.6 | -24.4 | 0 | 0 | 0 | 107.2 | ||||
| 270 | H | 33.7 | Very low | 36 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -148.3 | 135 | 145.7 | -128.5 | -75.5 | 0 | 0 | 0 | 112.1 | ||||
| 271 | K | 40 | Very low | 36.5 | Very low | 177 Ų | 177 | 157.8 Ų | 157.8 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -79.9 | 166.9 | 166.1 | -83 | -176.8 | 170.3 | -176.5 | 0 | 110.8 | ||||
| 272 | D | 35.1 | Very low | 37.1 | Very low | 131 Ų | 131 | 163.2 Ų | 163.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | 75.4 | 116.2 | 154.1 | -78.6 | -58.4 | 0 | 0 | 0 | 119.3 | ||||
| 273 | S | 35.1 | Very low | 37.3 | Very low | 123 Ų | 123 | 157.8 Ų | 157.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | -157.2 | 139.1 | 109 | 18.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 274 | R | 38.1 | Very low | 37.4 | Very low | 226 Ų | 226 | 161.2 Ų | 161.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -97.7 | 166.1 | 174.7 | -80.9 | 173.6 | 161.9 | 170.5 | -6.7 | 110.5 | ||||
| 275 | S | 34.3 | Very low | 38 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 74.2 | 153.2 | 166.1 | 83.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 276 | Y | 34 | Very low | 38.2 | Very low | 214 Ų | 214 | 161.5 Ų | 161.5 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | cis | -148.6 | 143.9 | 11.5 | 175.8 | -107.2 | 0 | 0 | 0 | 112.3 | ||||
| 277 | A | 32.5 | Very low | 38.1 | Very low | 66 Ų | 66 | 162.4 Ų | 162.4 | 55% | 0.545 | 80% | 0.804 | S | S | . | * | trans | 19.9 | 153.5 | 158 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 278 | S | 33.5 | Very low | 38.9 | Very low | 109 Ų | 109 | 160.9 Ų | 160.9 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 76.2 | 110.8 | 141.5 | -156.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 279 | S | 36 | Very low | 39.7 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | -178.9 | 153.6 | 85.2 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | K281 | S279-K281 PolarHBondContact O-N 2.89Š| |||
| 280 | Y | 38.5 | Very low | 40.4 | Very low | 221 Ų | 221 | 154.1 Ų | 154.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -67.3 | 122.7 | -177.5 | -67.8 | -106.2 | 0 | 0 | 0 | 112.5 | ||||
| 281 | K | 40.5 | Very low | 41.2 | Very low | 198 Ų | 198 | 154.5 Ų | 154.5 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -136 | 109.6 | 144.2 | -84.1 | -160.6 | 174.8 | 179.4 | 0 | 112.2 | S279 V283 | S279-K281 PolarHBondContact O-N 2.89Å; K281-V283 PolarHBondContact O-N 3.27Å | ||
| 282 | K | 47.3 | Very low | 41.6 | Very low | 215 Ų | 215 | 157.2 Ų | 157.2 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -60.1 | 114.9 | 165.1 | -174.5 | -179.4 | -176 | -178.1 | 0 | 108.5 | ||||
| 283 | V | 39.2 | Very low | 42.3 | Very low | 129 Ų | 129 | 158.5 Ų | 158.5 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -126.3 | 138.9 | 168 | -172.6 | 0 | 0 | 0 | 0 | 107.1 | K281 | K281-V283 PolarHBondContact O-N 3.27Š| ||
| 284 | E | 40.3 | Very low | 43 | Very low | 184 Ų | 184 | 158.5 Ų | 158.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -63.5 | 152 | -164.1 | -62.6 | 169.2 | 133.8 | 0 | 0 | 113.5 | R286 | E284-R286 PolarHBondContact O-N 2.97Š| ||
| 285 | A | 43.3 | Very low | 43.5 | Very low | 104 Ų | 104 | 157.6 Ų | 157.6 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -66.2 | 98.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 286 | R | 40.1 | Very low | 44.6 | Very low | 242 Ų | 242 | 160 Ų | 160 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -80.4 | 127.5 | 173.4 | -163.1 | 170.8 | -171.3 | 165.5 | 2.7 | 108.6 | E284 | E284-R286 PolarHBondContact O-N 2.97Š| ||
| 287 | D | 48.7 | Very low | 45.6 | Very low | 137 Ų | 137 | 160.9 Ų | 160.9 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -50.8 | 146 | -174.7 | -66.7 | -67.1 | 0 | 0 | 0 | 113.2 | S289 | D287-S289 PolarHBondContact O-N 3.42Š| ||
| 288 | P | 53.1 | Low | 46.7 | Very low | 123 Ų | 123 | 164.6 Ų | 164.6 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -55.8 | 115.3 | 174.3 | -22.3 | 32.9 | 0 | 0 | 0 | 110.1 | ||||
| 289 | S | 51 | Low | 47.8 | Very low | 107 Ų | 107 | 170.3 Ų | 170.3 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.7 | 171.7 | -65.9 | 0 | 0 | 0 | 0 | 108.7 | D287 Q291 | D287-S289 PolarHBondContact O-N 3.42Å; S289-Q291 PolarHBondContact O-N 3.46Å |
| 290 | P | 54.1 | Low | 48.6 | Very low | 120 Ų | 120 | 172.1 Ų | 172.1 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.4 | -178.6 | 23.6 | -33.2 | 0 | 0 | 0 | 108.8 | R292 | P290-R292 PolarHBondContact O-N 3.46Š|
| 291 | Q | 49.8 | Very low | 49.4 | Very low | 191 Ų | 191 | 169.6 Ų | 169.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.7 | 177.1 | -73.2 | -168.5 | -1.3 | 0 | 0 | 108.1 | S289 E293 | S289-Q291 PolarHBondContact O-N 3.46Å; Q291-E293 PolarHBondContact O-N 2.84Å |
| 292 | R | 49.1 | Very low | 50.2 | Low | 235 Ų | 235 | 167.1 Ų | 167.1 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -60.8 | 112 | 165.1 | -82.6 | -173.8 | 168.9 | -144 | -1.5 | 106.4 | P290 T294 | P290-R292 PolarHBondContact O-N 3.46Å; R292-T294 VanDerWaalsContact C-N 3.31Å; R292-T294 PolarHBondContact O-N 3.32Å; R292-T294 PolarHBondContact O-OG1 2.83Å | ||
| 293 | E | 49.9 | Very low | 50.8 | Low | 158 Ų | 158 | 161.6 Ų | 161.6 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -51.6 | 104.1 | 165.7 | -73.4 | -168.2 | 157.5 | 0 | 0 | 107.4 | Q291 Y295 | Q291-E293 PolarHBondContact O-N 2.84Å; E293-Y295 VanDerWaalsContact C-N 3.28Å; E293-Y295 PolarHBondContact O-N 2.9Å | ||
| 294 | T | 49.7 | Very low | 52.3 | Low | 123 Ų | 123 | 164.9 Ų | 164.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -72.2 | 97.7 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 104.3 | R292 Q296 | R292-T294 VanDerWaalsContact C-N 3.31Å; R292-T294 PolarHBondContact O-N 3.32Å; R292-T294 PolarHBondContact O-OG1 2.83Å; T294-Q296 VanDerWaalsContact C-N 3.26Å; T294-Q296 PolarHBondContact O-N 3.28Å | ||
| 295 | Y | 49.7 | Very low | 53.7 | Low | 207 Ų | 207 | 166 Ų | 166 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -51.8 | 95.7 | 174.3 | -75.4 | -79.4 | 0 | 0 | 0 | 108.3 | E293 R297 | E293-Y295 VanDerWaalsContact C-N 3.28Å; E293-Y295 PolarHBondContact O-N 2.9Å; Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 3.03Å | ||
| 296 | Q | 57 | Low | 55 | Low | 168 Ų | 168 | 165.3 Ų | 165.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -62.7 | 104.8 | 172.6 | -73.5 | -168.5 | -0.8 | 0 | 0 | 105.2 | T294 Q298 | T294-Q296 VanDerWaalsContact C-N 3.26Å; T294-Q296 PolarHBondContact O-N 3.28Å; Q296-Q298 VanDerWaalsContact C-N 3.27Å; Q296-Q298 PolarHBondContact O-N 3.49Å | ||
| 297 | R | 55.3 | Low | 56.9 | Low | 234 Ų | 234 | 156.2 Ų | 156.2 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -62.8 | 96.6 | 179.8 | -167.5 | 178 | -158.5 | -115.9 | 5.8 | 106.6 | Y295 R299 | Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 3.03Å; R297-R299 PolarHBondContact O-N 3.46Å | ||
| 298 | Q | 55.3 | Low | 58.3 | Low | 144 Ų | 144 | 154 Ų | 154 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | trans | -45.3 | 116 | -177.7 | -78.5 | -67.7 | -12.8 | 0 | 0 | 107.8 | Q296 N300 | Q296-Q298 VanDerWaalsContact C-N 3.27Å; Q296-Q298 PolarHBondContact O-N 3.49Å; Q298-N300 PolarHBondContact O-N 2.9Å | ||
| 299 | R | 55.2 | Low | 59.7 | Low | 228 Ų | 228 | 155.9 Ų | 155.9 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -78.6 | 82.8 | -165.7 | -162.3 | -178.9 | -164.5 | -137.8 | 6.4 | 106.9 | R297 H301 | R297-R299 PolarHBondContact O-N 3.46Å; R299-H301 PolarHBondContact O-N 3.04Å | ||
| 300 | N | 54.2 | Low | 61.3 | Low | 147 Ų | 147 | 155.6 Ų | 155.6 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -32.9 | 106.3 | -172.7 | -75.7 | -17.9 | 0 | 0 | 0 | 110.6 | Q298 V302 | Q298-N300 PolarHBondContact O-N 2.9Å; N300-V302 PolarHBondContact O-N 3.44Å | ||
| 301 | H | 55.1 | Low | 62.5 | Low | 167 Ų | 167 | 155 Ų | 155 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -54.2 | 129.7 | 178.3 | -55.2 | -70.9 | 0 | 0 | 0 | 107.8 | R299 S303 | R299-H301 PolarHBondContact O-N 3.04Å; H301-S303 PolarHBondContact O-N 2.93Å | ||
| 302 | V | 57.3 | Low | 64.2 | Low | 146 Ų | 146 | 150.4 Ų | 150.4 | 89% | 0.885 | 72% | 0.719 | S | S | * | * | trans | -52.8 | 111.7 | -177.9 | -179.9 | 0 | 0 | 0 | 0 | 107.1 | N300 K304 | N300-V302 PolarHBondContact O-N 3.44Å; V302-K304 PolarHBondContact O-N 2.82Å | ||
| 303 | S | 59.8 | Low | 66.2 | Low | 99 Ų | 99 | 147 Ų | 147 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | trans | -58.9 | 132.1 | -172.7 | 48.6 | 0 | 0 | 0 | 0 | 108.9 | H301 K305 | H301-S303 PolarHBondContact O-N 2.93Å; S303-K305 PolarHBondContact O-N 2.92Å; S303-K305 VanDerWaalsContact O-N 3.11Å | ||
| 304 | K | 69.8 | Low | 68.1 | Low | 198 Ų | 198 | 145.1 Ų | 145.1 | 86% | 0.861 | 70% | 0.695 | S | S | * | * | trans | -46.9 | 125.6 | 165.5 | -100.5 | 177.7 | 172.5 | 177.3 | 0 | 107 | V302 L306 | V302-K304 PolarHBondContact O-N 2.82Å; K304-L306 PolarHBondContact O-N 3.23Å | ||
| 305 | K | 71.4 | Confident | 69.8 | Low | 207 Ų | 207 | 147.2 Ų | 147.2 | 90% | 0.9 | 69% | 0.689 | S | S | * | * | trans | -60.4 | 109.3 | 175.7 | -65 | -179.2 | -178.7 | 179.7 | 0 | 106.4 | S303 | S303-K305 PolarHBondContact O-N 2.92Å; S303-K305 VanDerWaalsContact O-N 3.11Å | ||
| 306 | L | 69.3 | Low | 71.9 | Confident | 91 Ų | 91 | 144.6 Ų | 144.6 | 48% | 0.476 | 68% | 0.678 | S | S | . | * | trans | -51.4 | 143 | 177.1 | -72 | 154.2 | 0 | 0 | 0 | 108.9 | K304 E310 | K304-L306 PolarHBondContact O-N 3.23Å; L306-E310 WeakPolarHBondContact CA-OE2 3.4Å; L306-E310 HydrophobicContact CB-CB 4.26Å; L306-E310 HydrophobicContact CD2-CB 4.17Å | ||
| 307 | S | 80.6 | Confident | 73.6 | Confident | 51 Ų | 51 | 140.2 Ų | 140.2 | 36% | 0.357 | 66% | 0.658 | S | S | . | * | trans | -60.9 | 156.4 | 176.4 | 88.2 | 0 | 0 | 0 | 0 | 110 | E309 E310 L311 | S307-E309 PolarHBondContact O-N 2.97Å; S307-E309 PolarHBondContact OG-N 2.99Å; S307-E310 PolarHBondContact N-OE2 3.15Å; S307-E310 PolarHBondContact O-N 3.4Å; S307-E310 WeakPolarHBondContact OG-CG 3.49Å; S307-E310 PolarHBondContact OG-N 3.32Å; S307-E310 VanDerWaalsContact OG-N 3.07Å; S307-L311 WeakPolarHBondContact O-CB 3.39Å; S307-L311 PolarHBondContact O-N 3Å | ||
| 308 | A | 78.8 | Confident | 75.3 | Confident | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -58.2 | -33.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E312 | A308-E312 PolarHBondContact O-N 3.29Å; A308-E312 VanDerWaalsContact O-N 3.08Å |
| 309 | E | 81.8 | Confident | 77 | Confident | 163 Ų | 163 | 133.1 Ų | 133.1 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.6 | -43.7 | 176.8 | -172.8 | 176.6 | -176.5 | 0 | 0 | 112.3 | S307 L311 E312 R313 | S307-E309 PolarHBondContact O-N 2.97Å; S307-E309 PolarHBondContact OG-N 2.99Å; E309-L311 VanDerWaalsContact C-N 3.29Å; E309-L311 PolarHBondContact O-N 3.04Å; E309-E312 PolarHBondContact O-N 3.29Å; E309-R313 PolarHBondContact O-N 3.43Å |
| 310 | E | 83.4 | Confident | 78.8 | Confident | 101 Ų | 101 | 125.9 Ų | 125.9 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.9 | -38.5 | 173.5 | -71.6 | 170.9 | 159.3 | 0 | 0 | 111.8 | L306 S307 R313 K314 | L306-E310 WeakPolarHBondContact CA-OE2 3.4Å; L306-E310 HydrophobicContact CB-CB 4.26Å; L306-E310 HydrophobicContact CD2-CB 4.17Å; S307-E310 PolarHBondContact N-OE2 3.15Å; S307-E310 PolarHBondContact O-N 3.4Å; S307-E310 WeakPolarHBondContact OG-CG 3.49Å; S307-E310 PolarHBondContact OG-N 3.32Å; S307-E310 VanDerWaalsContact OG-N 3.07Å; E310-R313 PolarHBondContact O-N 3.02Å; E310-K314 WeakPolarHBondContact O-CB 3.43Å; E310-K314 PolarHBondContact O-N 3.02Å |
| 311 | L | 81.1 | Confident | 80.7 | Confident | 108 Ų | 108 | 124.7 Ų | 124.7 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.2 | -42.6 | 175.7 | -164.8 | 82.8 | 0 | 0 | 0 | 111.2 | S307 E309 R315 | S307-L311 WeakPolarHBondContact O-CB 3.39Å; S307-L311 PolarHBondContact O-N 3Å; E309-L311 VanDerWaalsContact C-N 3.29Å; E309-L311 PolarHBondContact O-N 3.04Å; L311-R315 WeakPolarHBondContact O-CB 3.46Å; L311-R315 PolarHBondContact O-N 2.97Å |
| 312 | E | 85.1 | Confident | 82.4 | Confident | 94 Ų | 94 | 118.8 Ų | 118.8 | 44% | 0.439 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.8 | -41.8 | 176.1 | -162.4 | -173.2 | 151.1 | 0 | 0 | 111.7 | A308 E309 K314 R315 R316 | A308-E312 PolarHBondContact O-N 3.29Å; A308-E312 VanDerWaalsContact O-N 3.08Å; E309-E312 PolarHBondContact O-N 3.29Å; E312-K314 VanDerWaalsContact C-N 3.35Å; E312-K314 PolarHBondContact O-N 3.01Å; E312-R315 WeakPolarHBondContact O-CB 3.44Å; E312-R315 PolarHBondContact O-N 2.92Å; E312-R315 VanDerWaalsContact O-N 3.12Å; E312-R316 WeakPolarHBondContact O-CG 3.37Å; E312-R316 PolarHBondContact O-N 3.29Å; E312-R316 IonicContact OE1-CZ 2.79Å; E312-R316 VanDerWaalsContact OE1-CZ 3.28Å; E312-R316 IonicContact OE1-NE 3.11Å; E312-R316 PolarHBondContact OE1-NE 2.94Å; E312-R316 VanDerWaalsContact OE1-NE 3.08Å; E312-R316 IonicContact OE1-NH2 2.8Å; E312-R316 PolarHBondContact OE1-NH2 3.11Å |
| 313 | R | 90.7 | Very high | 84.2 | Confident | 164 Ų | 164 | 117.2 Ų | 117.2 | 62% | 0.619 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.5 | -47.6 | 175.8 | -153.8 | -168.7 | 90.7 | -167.2 | 6.2 | 111.1 | E309 E310 R315 R316 E317 | E309-R313 PolarHBondContact O-N 3.43Å; E310-R313 PolarHBondContact O-N 3.02Å; R313-R315 VanDerWaalsContact C-N 3.29Å; R313-R315 PolarHBondContact O-N 3.4Å; R313-R316 PolarHBondContact O-N 2.67Å; R313-R316 VanDerWaalsContact O-N 3.13Å; R313-E317 IonicContact CZ-OE1 3.94Å; R313-E317 VanDerWaalsContact CZ-OE1 3.26Å; R313-E317 IonicContact NE-OE1 2.88Å; R313-E317 PolarHBondContact NE-OE1 3.2Å; R313-E317 IonicContact NH2-OE1 3.77Å; R313-E317 PolarHBondContact NH2-OE1 3.46Å; R313-E317 WeakPolarHBondContact O-CG 3.28Å; R313-E317 PolarHBondContact O-N 3.15Å |
| 314 | K | 89.6 | Confident | 85.7 | Confident | 118 Ų | 118 | 118.4 Ų | 118.4 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -32.4 | 176.2 | -169.3 | 169 | -174.1 | 170.4 | 0 | 112.8 | E310 E312 M318 | E310-K314 WeakPolarHBondContact O-CB 3.43Å; E310-K314 PolarHBondContact O-N 3.02Å; E312-K314 VanDerWaalsContact C-N 3.35Å; E312-K314 PolarHBondContact O-N 3.01Å; K314-M318 WeakPolarHBondContact O-CB 3.48Å; K314-M318 PolarHBondContact O-N 3.23Å |
| 315 | R | 86.1 | Confident | 86.8 | Confident | 167 Ų | 167 | 115.9 Ų | 115.9 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.5 | -40.3 | 172.5 | -174.6 | -176.8 | 178.1 | -146.6 | 0.1 | 111.8 | L311 E312 R313 M318 M319 | L311-R315 WeakPolarHBondContact O-CB 3.46Å; L311-R315 PolarHBondContact O-N 2.97Å; E312-R315 WeakPolarHBondContact O-CB 3.44Å; E312-R315 PolarHBondContact O-N 2.92Å; E312-R315 VanDerWaalsContact O-N 3.12Å; R313-R315 VanDerWaalsContact C-N 3.29Å; R313-R315 PolarHBondContact O-N 3.4Å; R315-M318 PolarHBondContact O-N 3.46Å; R315-M319 VanDerWaalsContact O-CG 3.3Å; R315-M319 WeakPolarHBondContact O-CG 3.25Å; R315-M319 PolarHBondContact O-N 2.96Å |
| 316 | R | 92.6 | Very high | 87.6 | Confident | 152 Ų | 152 | 111.8 Ų | 111.8 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -49.1 | 174.5 | -66.8 | 178.9 | -172.9 | -163.6 | 5.4 | 111 | E312 R313 M318 M319 D320 | E312-R316 WeakPolarHBondContact O-CG 3.37Å; E312-R316 PolarHBondContact O-N 3.29Å; E312-R316 IonicContact OE1-CZ 2.79Å; E312-R316 VanDerWaalsContact OE1-CZ 3.28Å; E312-R316 IonicContact OE1-NE 3.11Å; E312-R316 PolarHBondContact OE1-NE 2.94Å; E312-R316 VanDerWaalsContact OE1-NE 3.08Å; E312-R316 IonicContact OE1-NH2 2.8Å; E312-R316 PolarHBondContact OE1-NH2 3.11Å; R313-R316 PolarHBondContact O-N 2.67Å; R313-R316 VanDerWaalsContact O-N 3.13Å; R316-M318 VanDerWaalsContact C-N 3.29Å; R316-M318 PolarHBondContact O-N 3.08Å; R316-M319 WeakPolarHBondContact O-CB 3.44Å; R316-M319 PolarHBondContact O-N 3.36Å; R316-D320 PolarHBondContact O-N 3.3Å |
| 317 | E | 93.4 | Very high | 88.8 | Confident | 77 Ų | 77 | 112.8 Ų | 112.8 | 36% | 0.36 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -52.8 | -44.9 | 173.7 | -70.7 | 169.1 | -167.7 | 0 | 0 | 111.8 | R313 D320 Q321 | R313-E317 IonicContact CZ-OE1 3.94Å; R313-E317 VanDerWaalsContact CZ-OE1 3.26Å; R313-E317 IonicContact NE-OE1 2.88Å; R313-E317 PolarHBondContact NE-OE1 3.2Å; R313-E317 IonicContact NH2-OE1 3.77Å; R313-E317 PolarHBondContact NH2-OE1 3.46Å; R313-E317 WeakPolarHBondContact O-CG 3.28Å; R313-E317 PolarHBondContact O-N 3.15Å; E317-D320 PolarHBondContact O-N 2.87Å; E317-Q321 WeakPolarHBondContact O-CB 3.29Å; E317-Q321 VanDerWaalsContact O-CG 3.3Å; E317-Q321 WeakPolarHBondContact O-CG 3.5Å; E317-Q321 PolarHBondContact O-N 3.37Å |
| 318 | M | 90.3 | Very high | 89.3 | Confident | 125 Ų | 125 | 115 Ų | 115 | 62% | 0.616 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -38.9 | 176 | -174.3 | -175.2 | -64.7 | 0 | 0 | 113.1 | K314 R315 R316 A322 | K314-M318 WeakPolarHBondContact O-CB 3.48Å; K314-M318 PolarHBondContact O-N 3.23Å; R315-M318 PolarHBondContact O-N 3.46Å; R316-M318 VanDerWaalsContact C-N 3.29Å; R316-M318 PolarHBondContact O-N 3.08Å; M318-A322 WeakPolarHBondContact O-CB 3.46Å; M318-A322 PolarHBondContact O-N 2.91Å |
| 319 | M | 91.8 | Very high | 90 | Very high | 104 Ų | 104 | 117.6 Ų | 117.6 | 51% | 0.512 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 176.2 | -74.2 | -67 | -164.3 | 0 | 0 | 112 | R315 R316 A322 K323 | R315-M319 VanDerWaalsContact O-CG 3.3Å; R315-M319 WeakPolarHBondContact O-CG 3.25Å; R315-M319 PolarHBondContact O-N 2.96Å; R316-M319 WeakPolarHBondContact O-CB 3.44Å; R316-M319 PolarHBondContact O-N 3.36Å; M319-A322 WeakPolarHBondContact O-CB 3.15Å; M319-A322 PolarHBondContact O-N 3.37Å; M319-K323 WeakPolarHBondContact O-CG 3.26Å; M319-K323 PolarHBondContact O-N 3.46Å |
| 320 | D | 93.9 | Very high | 90.6 | Very high | 76 Ų | 76 | 114.8 Ų | 114.8 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.2 | -35.9 | -179.6 | -65 | -33.4 | 0 | 0 | 0 | 111.7 | R316 E317 A322 K323 Q324 | R316-D320 PolarHBondContact O-N 3.3Å; E317-D320 PolarHBondContact O-N 2.87Å; D320-A322 VanDerWaalsContact C-N 3.29Å; D320-A322 PolarHBondContact O-N 3.37Å; D320-K323 PolarHBondContact O-N 3.28Å; D320-K323 IonicContact OD1-NZ 2.64Å; D320-K323 PolarHBondContact OD1-NZ 2.84Å; D320-Q324 WeakPolarHBondContact O-CG 3.44Å; D320-Q324 PolarHBondContact O-N 3.23Å |
| 321 | Q | 93.4 | Very high | 91.1 | Very high | 121 Ų | 121 | 114.2 Ų | 114.2 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -34.3 | 167 | -73.1 | 176 | 4.9 | 0 | 0 | 112.7 | E317 R325 | E317-Q321 WeakPolarHBondContact O-CB 3.29Å; E317-Q321 VanDerWaalsContact O-CG 3.3Å; E317-Q321 WeakPolarHBondContact O-CG 3.5Å; E317-Q321 PolarHBondContact O-N 3.37Å; Q321-R325 PolarHBondContact O-N 3.11Å; Q321-R325 VanDerWaalsContact O-N 3.15Å |
| 322 | A | 90.5 | Very high | 91.6 | Very high | 44 Ų | 44 | 113 Ų | 113 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M318 M319 D320 R325 E326 | M318-A322 WeakPolarHBondContact O-CB 3.46Å; M318-A322 PolarHBondContact O-N 2.91Å; M319-A322 WeakPolarHBondContact O-CB 3.15Å; M319-A322 PolarHBondContact O-N 3.37Å; D320-A322 VanDerWaalsContact C-N 3.29Å; D320-A322 PolarHBondContact O-N 3.37Å; A322-R325 PolarHBondContact O-N 2.93Å; A322-E326 PolarHBondContact O-N 2.89Å |
| 323 | K | 94.6 | Very high | 92 | Very high | 113 Ų | 113 | 112 Ų | 112 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 174.1 | -66.8 | 169.3 | -166 | 160.4 | 0 | 112.1 | M319 D320 R325 E326 E327 | M319-K323 WeakPolarHBondContact O-CG 3.26Å; M319-K323 PolarHBondContact O-N 3.46Å; D320-K323 PolarHBondContact O-N 3.28Å; D320-K323 IonicContact OD1-NZ 2.64Å; D320-K323 PolarHBondContact OD1-NZ 2.84Å; K323-R325 VanDerWaalsContact C-N 3.3Å; K323-R325 PolarHBondContact O-N 3.17Å; K323-E326 WeakPolarHBondContact O-CA 3.3Å; K323-E326 VanDerWaalsContact O-CB 3.28Å; K323-E326 WeakPolarHBondContact O-CB 3.49Å; K323-E326 PolarHBondContact O-N 3.39Å; K323-E327 WeakPolarHBondContact O-CG 3.46Å; K323-E327 PolarHBondContact O-N 2.95Å |
| 324 | Q | 91.8 | Very high | 92.2 | Very high | 123 Ų | 123 | 108.9 Ų | 108.9 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.7 | -44 | 177.2 | -73.8 | 178.9 | -8.4 | 0 | 0 | 111.7 | D320 E326 E327 D328 | D320-Q324 WeakPolarHBondContact O-CG 3.44Å; D320-Q324 PolarHBondContact O-N 3.23Å; Q324-E326 VanDerWaalsContact C-N 3.31Å; Q324-E326 PolarHBondContact O-N 3.07Å; Q324-E327 PolarHBondContact O-N 3.14Å; Q324-D328 PolarHBondContact O-N 3.1Å |
| 325 | R | 92.9 | Very high | 92.4 | Very high | 146 Ų | 146 | 109.5 Ų | 109.5 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.2 | -28 | 174.4 | -74.1 | -158.6 | -72.4 | 111.3 | -8.4 | 114 | Q321 A322 K323 R329 | Q321-R325 PolarHBondContact O-N 3.11Å; Q321-R325 VanDerWaalsContact O-N 3.15Å; A322-R325 PolarHBondContact O-N 2.93Å; K323-R325 VanDerWaalsContact C-N 3.3Å; K323-R325 PolarHBondContact O-N 3.17Å; R325-R329 WeakPolarHBondContact O-CB 3.39Å; R325-R329 VanDerWaalsContact O-CD 3.26Å; R325-R329 WeakPolarHBondContact O-CD 3.4Å; R325-R329 WeakPolarHBondContact O-CG 3.35Å; R325-R329 PolarHBondContact O-N 3.01Å |
| 326 | E | 88.8 | Confident | 92.6 | Very high | 120 Ų | 120 | 108.2 Ų | 108.2 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.1 | -45.2 | 172.4 | -152.4 | 83 | -95 | 0 | 0 | 110.8 | A322 K323 Q324 R329 E330 | A322-E326 PolarHBondContact O-N 2.89Å; K323-E326 WeakPolarHBondContact O-CA 3.3Å; K323-E326 VanDerWaalsContact O-CB 3.28Å; K323-E326 WeakPolarHBondContact O-CB 3.49Å; K323-E326 PolarHBondContact O-N 3.39Å; Q324-E326 VanDerWaalsContact C-N 3.31Å; Q324-E326 PolarHBondContact O-N 3.07Å; E326-R329 WeakPolarHBondContact O-CB 3.18Å; E326-R329 PolarHBondContact O-N 3.18Å; E326-R329 IonicContact OE1-NH1 2.8Å; E326-E330 PolarHBondContact O-N 2.94Å |
| 327 | E | 93.7 | Very high | 92.6 | Very high | 113 Ų | 113 | 107.2 Ų | 107.2 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.8 | -70.1 | 172.7 | -170.1 | 0 | 0 | 111.7 | K323 Q324 R329 E330 N331 | K323-E327 WeakPolarHBondContact O-CG 3.46Å; K323-E327 PolarHBondContact O-N 2.95Å; Q324-E327 PolarHBondContact O-N 3.14Å; E327-R329 VanDerWaalsContact C-N 3.33Å; E327-R329 PolarHBondContact O-N 3.42Å; E327-E330 PolarHBondContact O-N 2.93Å; E327-N331 WeakPolarHBondContact O-CB 3.41Å; E327-N331 VanDerWaalsContact O-CG 3.23Å; E327-N331 PolarHBondContact O-N 2.93Å; E327-N331 PolarHBondContact O-ND2 3.49Å; E327-N331 VanDerWaalsContact O-ND2 3.17Å |
| 328 | D | 91.6 | Very high | 92.5 | Very high | 96 Ų | 96 | 111.3 Ų | 111.3 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 174.2 | -77.4 | -27 | 0 | 0 | 0 | 112.4 | Q324 N332 | Q324-D328 PolarHBondContact O-N 3.1Å; D328-N332 WeakPolarHBondContact O-CB 3.46Å; D328-N332 PolarHBondContact O-N 2.98Å; D328-N332 PolarHBondContact O-ND2 2.96Å |
| 329 | R | 92.9 | Very high | 92.4 | Very high | 144 Ų | 144 | 109.4 Ų | 109.4 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 174.2 | -75.8 | 164.9 | 174.1 | -176.3 | -5.8 | 111 | R325 E326 E327 N331 N332 V333 | R325-R329 WeakPolarHBondContact O-CB 3.39Å; R325-R329 VanDerWaalsContact O-CD 3.26Å; R325-R329 WeakPolarHBondContact O-CD 3.4Å; R325-R329 WeakPolarHBondContact O-CG 3.35Å; R325-R329 PolarHBondContact O-N 3.01Å; E326-R329 WeakPolarHBondContact O-CB 3.18Å; E326-R329 PolarHBondContact O-N 3.18Å; E326-R329 IonicContact OE1-NH1 2.8Å; E327-R329 VanDerWaalsContact C-N 3.33Å; E327-R329 PolarHBondContact O-N 3.42Å; R329-N331 VanDerWaalsContact C-N 3.34Å; R329-N331 PolarHBondContact O-N 3.44Å; R329-N332 PolarHBondContact O-N 2.9Å; R329-V333 WeakPolarHBondContact O-CB 3.41Å; R329-V333 WeakPolarHBondContact O-CG2 3.48Å; R329-V333 PolarHBondContact O-N 3.37Å |
| 330 | E | 94.6 | Very high | 92.2 | Very high | 104 Ų | 104 | 109.7 Ų | 109.7 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 179.9 | -152.3 | -155.4 | 164.2 | 0 | 0 | 111.3 | E326 E327 V333 K334 | E326-E330 PolarHBondContact O-N 2.94Å; E327-E330 PolarHBondContact O-N 2.93Å; E330-V333 PolarHBondContact O-N 3.11Å; E330-K334 WeakPolarHBondContact O-CB 3.45Å; E330-K334 VanDerWaalsContact O-CG 3.25Å; E330-K334 WeakPolarHBondContact O-CG 3.38Å; E330-K334 PolarHBondContact O-N 3.12Å; E330-K334 WeakPolarHBondContact OE1-CE 3.46Å; E330-K334 IonicContact OE1-NZ 2.6Å; E330-K334 PolarHBondContact OE1-NZ 2.81Å; E330-K334 IonicContact OE2-NZ 3.24Å; E330-K334 PolarHBondContact OE2-NZ 3.44Å |
| 331 | N | 94.4 | Very high | 92 | Very high | 90 Ų | 90 | 111.4 Ų | 111.4 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 175.8 | -73.2 | -30.4 | 0 | 0 | 0 | 112.2 | E327 R329 K334 R335 | E327-N331 WeakPolarHBondContact O-CB 3.41Å; E327-N331 VanDerWaalsContact O-CG 3.23Å; E327-N331 PolarHBondContact O-N 2.93Å; E327-N331 PolarHBondContact O-ND2 3.49Å; E327-N331 VanDerWaalsContact O-ND2 3.17Å; R329-N331 VanDerWaalsContact C-N 3.34Å; R329-N331 PolarHBondContact O-N 3.44Å; N331-K334 PolarHBondContact O-N 2.95Å; N331-R335 WeakPolarHBondContact O-CB 3.39Å; N331-R335 PolarHBondContact O-N 3.24Å |
| 332 | N | 91.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 109.8 Ų | 109.8 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 173.2 | -80.9 | -56.7 | 0 | 0 | 0 | 112 | D328 R329 K334 R335 Y336 | D328-N332 WeakPolarHBondContact O-CB 3.46Å; D328-N332 PolarHBondContact O-N 2.98Å; D328-N332 PolarHBondContact O-ND2 2.96Å; R329-N332 PolarHBondContact O-N 2.9Å; N332-K334 PolarHBondContact O-N 3.13Å; N332-R335 WeakPolarHBondContact O-CB 3.49Å; N332-R335 PolarHBondContact O-N 2.9Å; N332-Y336 WeakPolarHBondContact O-CD2 3.41Å; N332-Y336 PolarHBondContact O-N 3.08Å |
| 333 | V | 93.9 | Very high | 91.2 | Very high | 73 Ų | 73 | 110.8 Ų | 110.8 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.7 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | R329 E330 Y336 K337 | R329-V333 WeakPolarHBondContact O-CB 3.41Å; R329-V333 WeakPolarHBondContact O-CG2 3.48Å; R329-V333 PolarHBondContact O-N 3.37Å; E330-V333 PolarHBondContact O-N 3.11Å; V333-Y336 PolarHBondContact O-N 3.44Å; V333-K337 HydrophobicContact CG1-CD 4.1Å; V333-K337 HydrophobicContact CG1-CG 4.46Å; V333-K337 WeakPolarHBondContact O-CB 3.44Å; V333-K337 WeakPolarHBondContact O-CG 3.42Å; V333-K337 PolarHBondContact O-N 2.88Å |
| 334 | K | 94.1 | Very high | 90.7 | Very high | 99 Ų | 99 | 111.1 Ų | 111.1 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 173.4 | -74.8 | 164.7 | -177.6 | 161.3 | 0 | 111.5 | E330 N331 N332 R338 | E330-K334 WeakPolarHBondContact O-CB 3.45Å; E330-K334 VanDerWaalsContact O-CG 3.25Å; E330-K334 WeakPolarHBondContact O-CG 3.38Å; E330-K334 PolarHBondContact O-N 3.12Å; E330-K334 WeakPolarHBondContact OE1-CE 3.46Å; E330-K334 IonicContact OE1-NZ 2.6Å; E330-K334 PolarHBondContact OE1-NZ 2.81Å; E330-K334 IonicContact OE2-NZ 3.24Å; E330-K334 PolarHBondContact OE2-NZ 3.44Å; N331-K334 PolarHBondContact O-N 2.95Å; N332-K334 PolarHBondContact O-N 3.13Å; K334-R338 WeakPolarHBondContact O-CB 3.48Å; K334-R338 PolarHBondContact O-N 3.27Å |
| 335 | R | 93.8 | Very high | 90.2 | Very high | 132 Ų | 132 | 110.8 Ų | 110.8 | 50% | 0.498 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 176.1 | -179.9 | 177.9 | 178.1 | -87.3 | -0.3 | 111.7 | N331 N332 R338 Q339 | N331-R335 WeakPolarHBondContact O-CB 3.39Å; N331-R335 PolarHBondContact O-N 3.24Å; N332-R335 WeakPolarHBondContact O-CB 3.49Å; N332-R335 PolarHBondContact O-N 2.9Å; R335-R338 PolarHBondContact O-N 3.41Å; R335-Q339 PolarHBondContact O-N 2.93Å; R335-Q339 VanDerWaalsContact O-N 3.07Å |
| 336 | Y | 90.6 | Very high | 89.6 | Confident | 140 Ų | 140 | 111.3 Ų | 111.3 | 55% | 0.549 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 178.4 | -71.5 | -60.5 | 0 | 0 | 0 | 112.6 | N332 V333 R338 Q339 D340 | N332-Y336 WeakPolarHBondContact O-CD2 3.41Å; N332-Y336 PolarHBondContact O-N 3.08Å; V333-Y336 PolarHBondContact O-N 3.44Å; Y336-R338 PolarHBondContact O-N 3.22Å; Y336-Q339 PolarHBondContact O-N 3.4Å; Y336-Q339 VanDerWaalsContact O-N 3.16Å; Y336-D340 PolarHBondContact O-N 3.08Å |
| 337 | K | 91.7 | Very high | 89 | Confident | 131 Ų | 131 | 110 Ų | 110 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.3 | -45.2 | 174.7 | -76.4 | 178.5 | 177.6 | 179.4 | 0 | 112.3 | V333 Q339 D340 E341 | V333-K337 HydrophobicContact CG1-CD 4.1Å; V333-K337 HydrophobicContact CG1-CG 4.46Å; V333-K337 WeakPolarHBondContact O-CB 3.44Å; V333-K337 WeakPolarHBondContact O-CG 3.42Å; V333-K337 PolarHBondContact O-N 2.88Å; K337-Q339 VanDerWaalsContact C-N 3.29Å; K337-Q339 PolarHBondContact O-N 3.03Å; K337-D340 PolarHBondContact O-N 3.2Å; K337-E341 WeakPolarHBondContact O-CB 3.26Å; K337-E341 WeakPolarHBondContact O-CG 3.34Å; K337-E341 PolarHBondContact O-N 3.39Å |
| 338 | R | 92.6 | Very high | 88.2 | Confident | 163 Ų | 163 | 110 Ų | 110 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -35.6 | 177 | -170.1 | -179.1 | 71.2 | 175.4 | 1.6 | 112.2 | K334 R335 Y336 Q342 | K334-R338 WeakPolarHBondContact O-CB 3.48Å; K334-R338 PolarHBondContact O-N 3.27Å; R335-R338 PolarHBondContact O-N 3.41Å; Y336-R338 PolarHBondContact O-N 3.22Å; R338-Q342 VanDerWaalsContact O-CG 3.27Å; R338-Q342 WeakPolarHBondContact O-CG 3.39Å; R338-Q342 PolarHBondContact O-N 2.99Å; R338-Q342 VanDerWaalsContact O-N 3.09Å |
| 339 | Q | 87.9 | Confident | 87.3 | Confident | 85 Ų | 85 | 110.9 Ų | 110.9 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.6 | -47.1 | 176.7 | -173.9 | 172.4 | -11.8 | 0 | 0 | 111.4 | R335 Y336 K337 E341 Q342 D343 | R335-Q339 PolarHBondContact O-N 2.93Å; R335-Q339 VanDerWaalsContact O-N 3.07Å; Y336-Q339 PolarHBondContact O-N 3.4Å; Y336-Q339 VanDerWaalsContact O-N 3.16Å; K337-Q339 VanDerWaalsContact C-N 3.29Å; K337-Q339 PolarHBondContact O-N 3.03Å; Q339-E341 VanDerWaalsContact C-N 3.34Å; Q339-E341 PolarHBondContact O-N 2.93Å; Q339-Q342 WeakPolarHBondContact O-CB 3.45Å; Q339-Q342 PolarHBondContact O-N 3.1Å; Q339-Q342 VanDerWaalsContact O-N 3.1Å; Q339-D343 PolarHBondContact O-N 3.06Å |
| 340 | D | 87.4 | Confident | 86.2 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.8 | -41.6 | 175.9 | -171.7 | 65.7 | 0 | 0 | 0 | 111.9 | Y336 K337 Q342 D343 K344 | Y336-D340 PolarHBondContact O-N 3.08Å; K337-D340 PolarHBondContact O-N 3.2Å; D340-Q342 PolarHBondContact O-N 3.35Å; D340-D343 PolarHBondContact O-N 2.84Å; D340-K344 WeakPolarHBondContact O-CB 3.43Å; D340-K344 PolarHBondContact O-N 3.29Å |
| 341 | E | 89.7 | Confident | 84.7 | Confident | 113 Ų | 113 | 107.3 Ų | 107.3 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 172.8 | -76.1 | 175.7 | -172.1 | 0 | 0 | 112.7 | K337 Q339 Q345 | K337-E341 WeakPolarHBondContact O-CB 3.26Å; K337-E341 WeakPolarHBondContact O-CG 3.34Å; K337-E341 PolarHBondContact O-N 3.39Å; Q339-E341 VanDerWaalsContact C-N 3.34Å; Q339-E341 PolarHBondContact O-N 2.93Å; E341-Q345 WeakPolarHBondContact O-CB 3.36Å; E341-Q345 VanDerWaalsContact O-CG 3.26Å; E341-Q345 WeakPolarHBondContact O-CG 3.48Å; E341-Q345 PolarHBondContact O-N 2.87Å |
| 342 | Q | 87.5 | Confident | 83.2 | Confident | 86 Ų | 86 | 110.8 Ų | 110.8 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 176.5 | -77.6 | 176.7 | 10.4 | 0 | 0 | 112.2 | R338 Q339 D340 K344 Q345 R346 | R338-Q342 VanDerWaalsContact O-CG 3.27Å; R338-Q342 WeakPolarHBondContact O-CG 3.39Å; R338-Q342 PolarHBondContact O-N 2.99Å; R338-Q342 VanDerWaalsContact O-N 3.09Å; Q339-Q342 WeakPolarHBondContact O-CB 3.45Å; Q339-Q342 PolarHBondContact O-N 3.1Å; Q339-Q342 VanDerWaalsContact O-N 3.1Å; D340-Q342 PolarHBondContact O-N 3.35Å; Q342-K344 VanDerWaalsContact C-N 3.34Å; Q342-Q345 PolarHBondContact O-N 2.95Å; Q342-R346 WeakPolarHBondContact O-CG 3.15Å; Q342-R346 PolarHBondContact O-N 2.99Å |
| 343 | D | 79.6 | Confident | 82.1 | Confident | 65 Ų | 65 | 111.3 Ų | 111.3 | 35% | 0.348 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.5 | -34.7 | 179.3 | -70 | -31.7 | 0 | 0 | 0 | 111.1 | Q339 D340 R346 E347 | Q339-D343 PolarHBondContact O-N 3.06Å; D340-D343 PolarHBondContact O-N 2.84Å; D343-R346 WeakPolarHBondContact O-CB 3.37Å; D343-R346 PolarHBondContact O-N 2.86Å; D343-R346 WeakPolarHBondContact OD1-CD 3.45Å; D343-R346 IonicContact OD1-CZ 2.65Å; D343-R346 IonicContact OD1-NH1 2.69Å; D343-R346 PolarHBondContact OD1-NH1 3.06Å; D343-E347 WeakPolarHBondContact O-CB 3.32Å; D343-E347 PolarHBondContact O-N 3.44Å |
| 344 | K | 82.9 | Confident | 80.7 | Confident | 120 Ų | 120 | 119.1 Ų | 119.1 | 52% | 0.522 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.4 | -30.5 | 170.5 | -170.7 | 173.6 | -171.5 | 166.5 | 0 | 114 | D340 Q342 Q348 | D340-K344 WeakPolarHBondContact O-CB 3.43Å; D340-K344 PolarHBondContact O-N 3.29Å; Q342-K344 VanDerWaalsContact C-N 3.34Å; K344-Q348 WeakPolarHBondContact O-CG 3.3Å; K344-Q348 PolarHBondContact O-N 3.27Å; K344-Q348 VanDerWaalsContact O-N 3.12Å; K344-Q348 PolarHBondContact O-NE2 2.96Å |
| 345 | Q | 82.8 | Confident | 79 | Confident | 116 Ų | 116 | 121 Ų | 121 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 169.9 | -76.8 | 174 | 26.6 | 0 | 0 | 111.2 | E341 Q342 E347 Q348 N349 | E341-Q345 WeakPolarHBondContact O-CB 3.36Å; E341-Q345 VanDerWaalsContact O-CG 3.26Å; E341-Q345 WeakPolarHBondContact O-CG 3.48Å; E341-Q345 PolarHBondContact O-N 2.87Å; Q342-Q345 PolarHBondContact O-N 2.95Å; Q345-E347 VanDerWaalsContact C-N 3.34Å; Q345-E347 PolarHBondContact O-N 2.76Å; Q345-Q348 PolarHBondContact O-N 3.26Å; Q345-N349 WeakPolarHBondContact O-CB 3.39Å; Q345-N349 VanDerWaalsContact O-CG 3.23Å; Q345-N349 PolarHBondContact O-N 3.32Å |
| 346 | R | 80.1 | Confident | 77.5 | Confident | 157 Ų | 157 | 116.6 Ų | 116.6 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.9 | -43.1 | 173.1 | -72.5 | 163.8 | 169.4 | 176.3 | -5.2 | 111.7 | Q342 D343 N349 A350 | Q342-R346 WeakPolarHBondContact O-CG 3.15Å; Q342-R346 PolarHBondContact O-N 2.99Å; D343-R346 WeakPolarHBondContact O-CB 3.37Å; D343-R346 PolarHBondContact O-N 2.86Å; D343-R346 WeakPolarHBondContact OD1-CD 3.45Å; D343-R346 IonicContact OD1-CZ 2.65Å; D343-R346 IonicContact OD1-NH1 2.69Å; D343-R346 PolarHBondContact OD1-NH1 3.06Å; R346-N349 PolarHBondContact O-N 2.79Å; R346-A350 VanDerWaalsContact O-CB 3.3Å; R346-A350 WeakPolarHBondContact O-CB 3.38Å; R346-A350 PolarHBondContact O-N 3.26Å |
| 347 | E | 75.7 | Confident | 76.3 | Confident | 92 Ų | 92 | 111.2 Ų | 111.2 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.9 | -162.9 | -157.6 | 173.9 | 0 | 0 | 111.8 | D343 Q345 A350 K351 | D343-E347 WeakPolarHBondContact O-CB 3.32Å; D343-E347 PolarHBondContact O-N 3.44Å; Q345-E347 VanDerWaalsContact C-N 3.34Å; Q345-E347 PolarHBondContact O-N 2.76Å; E347-A350 PolarHBondContact O-N 3.14Å; E347-K351 WeakPolarHBondContact O-CB 3.46Å; E347-K351 VanDerWaalsContact O-CG 3.27Å; E347-K351 WeakPolarHBondContact O-CG 3.4Å; E347-K351 PolarHBondContact O-N 3.19Å; E347-K351 VanDerWaalsContact OE1-CE 3.23Å; E347-K351 WeakPolarHBondContact OE1-CE 3.37Å; E347-K351 IonicContact OE1-NZ 2.82Å; E347-K351 PolarHBondContact OE1-NZ 3.16Å; E347-K351 IonicContact OE2-NZ 3.25Å |
| 348 | Q | 76.3 | Confident | 75.3 | Confident | 113 Ų | 113 | 111.6 Ų | 111.6 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 174.2 | -79.5 | 173.2 | 72.2 | 0 | 0 | 112.6 | K344 Q345 K351 H352 | K344-Q348 WeakPolarHBondContact O-CG 3.3Å; K344-Q348 PolarHBondContact O-N 3.27Å; K344-Q348 VanDerWaalsContact O-N 3.12Å; K344-Q348 PolarHBondContact O-NE2 2.96Å; Q345-Q348 PolarHBondContact O-N 3.26Å; Q348-K351 PolarHBondContact O-N 3.25Å; Q348-H352 PolarHBondContact O-N 2.87Å; Q348-H352 VanDerWaalsContact O-N 3.15Å |
| 349 | N | 74.3 | Confident | 74.4 | Confident | 115 Ų | 115 | 106.3 Ų | 106.3 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 176.8 | -68.1 | -11.3 | 0 | 0 | 0 | 111.4 | Q345 R346 K351 H352 D353 | Q345-N349 WeakPolarHBondContact O-CB 3.39Å; Q345-N349 VanDerWaalsContact O-CG 3.23Å; Q345-N349 PolarHBondContact O-N 3.32Å; R346-N349 PolarHBondContact O-N 2.79Å; N349-K351 VanDerWaalsContact C-N 3.29Å; N349-K351 PolarHBondContact O-N 3.11Å; N349-H352 WeakPolarHBondContact O-CA 3.27Å; N349-H352 WeakPolarHBondContact O-CB 3.43Å; N349-H352 PolarHBondContact O-N 2.99Å; N349-D353 PolarHBondContact O-N 3.1Å; N349-D353 VanDerWaalsContact O-N 3.07Å |
| 350 | A | 68.7 | Low | 73.5 | Confident | 49 Ų | 49 | 107 Ų | 107 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -29.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R346 E347 H352 | R346-A350 VanDerWaalsContact O-CB 3.3Å; R346-A350 WeakPolarHBondContact O-CB 3.38Å; R346-A350 PolarHBondContact O-N 3.26Å; E347-A350 PolarHBondContact O-N 3.14Å; A350-H352 VanDerWaalsContact C-N 3.31Å |
| 351 | K | 63.6 | Low | 72.9 | Confident | 124 Ų | 124 | 105.6 Ų | 105.6 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.1 | -21 | 169.9 | -74.8 | 169.4 | -176.4 | 172.2 | 0 | 113.3 | E347 Q348 N349 | E347-K351 WeakPolarHBondContact O-CB 3.46Å; E347-K351 VanDerWaalsContact O-CG 3.27Å; E347-K351 WeakPolarHBondContact O-CG 3.4Å; E347-K351 PolarHBondContact O-N 3.19Å; E347-K351 VanDerWaalsContact OE1-CE 3.23Å; E347-K351 WeakPolarHBondContact OE1-CE 3.37Å; E347-K351 IonicContact OE1-NZ 2.82Å; E347-K351 PolarHBondContact OE1-NZ 3.16Å; E347-K351 IonicContact OE2-NZ 3.25Å; Q348-K351 PolarHBondContact O-N 3.25Å; N349-K351 VanDerWaalsContact C-N 3.29Å; N349-K351 PolarHBondContact O-N 3.11Å |
| 352 | H | 63.2 | Low | 72.2 | Confident | 164 Ų | 164 | 104 Ų | 104 | 76% | 0.759 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -88 | -21.4 | 175.2 | -160 | 68.6 | 0 | 0 | 0 | 112.9 | Q348 N349 A350 R354 | Q348-H352 PolarHBondContact O-N 2.87Å; Q348-H352 VanDerWaalsContact O-N 3.15Å; N349-H352 WeakPolarHBondContact O-CA 3.27Å; N349-H352 WeakPolarHBondContact O-CB 3.43Å; N349-H352 PolarHBondContact O-N 2.99Å; A350-H352 VanDerWaalsContact C-N 3.31Å; H352-R354 PolarHBondContact O-N 2.83Å |
| 353 | D | 68.2 | Low | 71.6 | Confident | 92 Ų | 92 | 106.6 Ų | 106.6 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -73.8 | 112.1 | 171.7 | -173.7 | -2.2 | 0 | 0 | 0 | 110.8 | N349 H355 A356 G357 | N349-D353 PolarHBondContact O-N 3.1Å; N349-D353 VanDerWaalsContact O-N 3.07Å; D353-H355 PolarHBondContact O-N 3.1Å; D353-H355 PolarHBondContact OD1-N 3.36Å; D353-A356 HydrophobicContact CB-CB 4.05Å; D353-A356 PolarHBondContact O-N 3.32Å; D353-A356 VanDerWaalsContact O-N 3.16Å; D353-G357 PolarHBondContact O-N 3.47Å; D353-G357 VanDerWaalsContact O-N 3.09Å |
| 354 | R | 63.2 | Low | 71.4 | Confident | 236 Ų | 236 | 108 Ų | 108 | 89% | 0.891 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -29 | -169.6 | -55.7 | -178.5 | -164.3 | 174.3 | 5.8 | 112.6 | H352 | H352-R354 PolarHBondContact O-N 2.83Å |
| 355 | H | 59.9 | Low | 71.2 | Confident | 140 Ų | 140 | 107.6 Ų | 107.6 | 65% | 0.648 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -84.9 | -34.9 | 179.4 | -163.3 | -37.5 | 0 | 0 | 0 | 112.2 | D353 | D353-H355 PolarHBondContact O-N 3.1Å; D353-H355 PolarHBondContact OD1-N 3.36Å |
| 356 | A | 62.7 | Low | 70.6 | Confident | 38 Ų | 38 | 105 Ų | 105 | 31% | 0.314 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.2 | -41.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | D353 F358 I359 H360 | D353-A356 HydrophobicContact CB-CB 4.05Å; D353-A356 PolarHBondContact O-N 3.32Å; D353-A356 VanDerWaalsContact O-N 3.16Å; A356-F358 PolarHBondContact O-N 3.1Å; A356-I359 PolarHBondContact O-N 2.83Å; A356-H360 WeakPolarHBondContact O-CB 3.25Å; A356-H360 PolarHBondContact O-N 3.23Å |
| 357 | G | 63.7 | Low | 70.2 | Confident | 27 Ų | 27 | 100.2 Ų | 100.2 | 28% | 0.278 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D353 H360 N361 | D353-G357 PolarHBondContact O-N 3.47Å; D353-G357 VanDerWaalsContact O-N 3.09Å; G357-H360 PolarHBondContact O-N 3.19Å; G357-N361 WeakPolarHBondContact O-CB 3.36Å; G357-N361 PolarHBondContact O-N 2.95Å |
| 358 | F | 70.9 | Confident | 70.2 | Confident | 139 Ų | 139 | 100.2 Ų | 100.2 | 61% | 0.61 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -50.5 | 178.6 | 178.3 | -102.2 | 0 | 0 | 0 | 112.2 | A356 H360 N361 M362 | A356-F358 PolarHBondContact O-N 3.1Å; F358-H360 VanDerWaalsContact C-N 3.29Å; F358-H360 PolarHBondContact O-N 3.14Å; F358-N361 PolarHBondContact O-N 2.91Å; F358-M362 HydrophobicContact CE1-SD 4.11Å; F358-M362 HydrophobicContact CZ-SD 4.31Å; F358-M362 VanDerWaalsContact O-CB 3.3Å; F358-M362 WeakPolarHBondContact O-CB 3.24Å; F358-M362 PolarHBondContact O-N 3.13Å |
| 359 | I | 73.6 | Confident | 70.1 | Confident | 53 Ų | 53 | 99.4 Ų | 99.4 | 27% | 0.272 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 178.7 | -60.6 | -60.9 | 0 | 0 | 0 | 111.3 | A356 M362 K363 | A356-I359 PolarHBondContact O-N 2.83Å; I359-M362 HydrophobicContact CD1-CE 3.77Å; I359-K363 HydrophobicContact CG2-CD 4.08Å; I359-K363 WeakPolarHBondContact O-CB 3.03Å; I359-K363 WeakPolarHBondContact O-CG 3.26Å; I359-K363 PolarHBondContact O-N 2.86Å |
| 360 | H | 70.5 | Confident | 70.1 | Confident | 98 Ų | 98 | 95 Ų | 95 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -46.9 | 175.7 | -176.2 | 16.3 | 0 | 0 | 0 | 112 | A356 G357 F358 K363 L364 | A356-H360 WeakPolarHBondContact O-CB 3.25Å; A356-H360 PolarHBondContact O-N 3.23Å; G357-H360 PolarHBondContact O-N 3.19Å; F358-H360 VanDerWaalsContact C-N 3.29Å; F358-H360 PolarHBondContact O-N 3.14Å; H360-K363 PolarHBondContact O-N 2.76Å; H360-L364 VanDerWaalsContact CE1-CD1 3.46Å; H360-L364 WeakPolarHBondContact CE1-CD1 3.45Å; H360-L364 WeakPolarHBondContact O-CG 3.43Å; H360-L364 PolarHBondContact O-N 2.73Å |
| 361 | N | 74.2 | Confident | 70.7 | Confident | 81 Ų | 81 | 95.8 Ų | 95.8 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 178.9 | -165.6 | 60.4 | 0 | 0 | 0 | 111.2 | G357 F358 K363 L364 E365 | G357-N361 WeakPolarHBondContact O-CB 3.36Å; G357-N361 PolarHBondContact O-N 2.95Å; F358-N361 PolarHBondContact O-N 2.91Å; N361-K363 VanDerWaalsContact C-N 3.28Å; N361-K363 PolarHBondContact O-N 3.43Å; N361-L364 WeakPolarHBondContact O-CB 3.44Å; N361-L364 PolarHBondContact O-N 2.9Å; N361-E365 VanDerWaalsContact ND2-CD 3.25Å; N361-E365 PolarHBondContact ND2-OE1 3.46Å; N361-E365 WeakPolarHBondContact O-CG 3.32Å; N361-E365 PolarHBondContact O-N 3.07Å |
| 362 | M | 74.1 | Confident | 71 | Confident | 79 Ų | 79 | 96 Ų | 96 | 39% | 0.389 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.2 | -36 | 175.2 | -173.5 | 179.6 | 69.4 | 0 | 0 | 112.6 | F358 I359 S366 | F358-M362 HydrophobicContact CE1-SD 4.11Å; F358-M362 HydrophobicContact CZ-SD 4.31Å; F358-M362 VanDerWaalsContact O-CB 3.3Å; F358-M362 WeakPolarHBondContact O-CB 3.24Å; F358-M362 PolarHBondContact O-N 3.13Å; I359-M362 HydrophobicContact CD1-CE 3.77Å; M362-S366 VanDerWaalsContact O-CB 3.23Å; M362-S366 WeakPolarHBondContact O-CB 3.31Å; M362-S366 PolarHBondContact O-N 2.85Å; M362-S366 PolarHBondContact O-OG 3.19Å |
| 363 | K | 74.9 | Confident | 71.7 | Confident | 141 Ų | 141 | 93.5 Ų | 93.5 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69 | -39.6 | 172.7 | -79.5 | 173.9 | 179.7 | 178.8 | 0 | 112.7 | I359 H360 N361 A367 | I359-K363 HydrophobicContact CG2-CD 4.08Å; I359-K363 WeakPolarHBondContact O-CB 3.03Å; I359-K363 WeakPolarHBondContact O-CG 3.26Å; I359-K363 PolarHBondContact O-N 2.86Å; H360-K363 PolarHBondContact O-N 2.76Å; N361-K363 VanDerWaalsContact C-N 3.28Å; N361-K363 PolarHBondContact O-N 3.43Å; K363-A367 VanDerWaalsContact O-CB 3.24Å; K363-A367 WeakPolarHBondContact O-CB 3.5Å; K363-A367 PolarHBondContact O-N 3.03Å |
| 364 | L | 76.3 | Confident | 72.1 | Confident | 94 Ų | 94 | 92.1 Ų | 92.1 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 175.5 | -73.7 | 170.9 | 0 | 0 | 0 | 111.2 | H360 N361 A367 A368 | H360-L364 VanDerWaalsContact CE1-CD1 3.46Å; H360-L364 WeakPolarHBondContact CE1-CD1 3.45Å; H360-L364 WeakPolarHBondContact O-CG 3.43Å; H360-L364 PolarHBondContact O-N 2.73Å; N361-L364 WeakPolarHBondContact O-CB 3.44Å; N361-L364 PolarHBondContact O-N 2.9Å; L364-A367 PolarHBondContact O-N 3.18Å; L364-A368 WeakPolarHBondContact O-CB 3.32Å; L364-A368 PolarHBondContact O-N 2.76Å |
| 365 | E | 77.9 | Confident | 72.7 | Confident | 111 Ų | 111 | 87 Ų | 87 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177 | -71.8 | 170.7 | 173.5 | 0 | 0 | 111.6 | N361 A367 A368 S369 | N361-E365 VanDerWaalsContact ND2-CD 3.25Å; N361-E365 PolarHBondContact ND2-OE1 3.46Å; N361-E365 WeakPolarHBondContact O-CG 3.32Å; N361-E365 PolarHBondContact O-N 3.07Å; E365-A367 VanDerWaalsContact C-N 3.34Å; E365-A367 PolarHBondContact O-N 3.47Å; E365-A368 PolarHBondContact O-N 3.19Å; E365-S369 VanDerWaalsContact O-CB 3.29Å; E365-S369 WeakPolarHBondContact O-CB 3.43Å; E365-S369 PolarHBondContact O-N 3.4Å; E365-S369 PolarHBondContact O-OG 2.9Å |
| 366 | S | 70.1 | Confident | 73.4 | Confident | 63 Ų | 63 | 84 Ų | 84 | 44% | 0.441 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 172.8 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | M362 S370 | M362-S366 VanDerWaalsContact O-CB 3.23Å; M362-S366 WeakPolarHBondContact O-CB 3.31Å; M362-S366 PolarHBondContact O-N 2.85Å; M362-S366 PolarHBondContact O-OG 3.19Å; S366-S370 VanDerWaalsContact O-CB 3.31Å; S366-S370 WeakPolarHBondContact O-CB 3.48Å; S366-S370 PolarHBondContact O-N 2.88Å; S366-S370 VanDerWaalsContact O-N 3.12Å; S366-S370 PolarHBondContact O-OG 3.15Å |
| 367 | A | 72.4 | Confident | 74 | Confident | 55 Ų | 55 | 87.1 Ų | 87.1 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.9 | -31.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K363 L364 E365 R375 | K363-A367 VanDerWaalsContact O-CB 3.24Å; K363-A367 WeakPolarHBondContact O-CB 3.5Å; K363-A367 PolarHBondContact O-N 3.03Å; L364-A367 PolarHBondContact O-N 3.18Å; E365-A367 VanDerWaalsContact C-N 3.34Å; E365-A367 PolarHBondContact O-N 3.47Å; A367-R375 PolarHBondContact O-NH2 3.03Å |
| 368 | A | 75.4 | Confident | 74.5 | Confident | 92 Ų | 92 | 93 Ų | 93 | 76% | 0.76 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -81.1 | -33.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L364 E365 | L364-A368 WeakPolarHBondContact O-CB 3.32Å; L364-A368 PolarHBondContact O-N 2.76Å; E365-A368 PolarHBondContact O-N 3.19Å |
| 369 | S | 75.4 | Confident | 74.4 | Confident | 97 Ų | 97 | 91.3 Ų | 91.3 | 68% | 0.678 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -86.2 | -27.6 | -179.3 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | E365 | E365-S369 VanDerWaalsContact O-CB 3.29Å; E365-S369 WeakPolarHBondContact O-CB 3.43Å; E365-S369 PolarHBondContact O-N 3.4Å; E365-S369 PolarHBondContact O-OG 2.9Å |
| 370 | S | 74.1 | Confident | 74.3 | Confident | 22 Ų | 22 | 93.4 Ų | 93.4 | 15% | 0.154 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -85.4 | 116.5 | -179.4 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | S366 R375 | S366-S370 VanDerWaalsContact O-CB 3.31Å; S366-S370 WeakPolarHBondContact O-CB 3.48Å; S366-S370 PolarHBondContact O-N 2.88Å; S366-S370 VanDerWaalsContact O-N 3.12Å; S366-S370 PolarHBondContact O-OG 3.15Å; S370-R375 PolarHBondContact O-NH2 2.92Å; S370-R375 PolarHBondContact OG-NE 2.67Å; S370-R375 PolarHBondContact OG-NH2 3.29Å |
| 371 | S | 80.4 | Confident | 73.8 | Confident | 66 Ų | 66 | 95.9 Ų | 95.9 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | trans | -58.6 | 149.3 | 166.6 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E373 D374 R375 | S371-E373 VanDerWaalsContact C-N 3.28Å; S371-E373 PolarHBondContact O-N 2.86Å; S371-E373 PolarHBondContact OG-N 2.95Å; S371-D374 WeakPolarHBondContact O-CB 3.34Å; S371-D374 PolarHBondContact O-N 3.41Å; S371-D374 VanDerWaalsContact O-N 3.14Å; S371-R375 PolarHBondContact O-N 3.03Å | ||
| 372 | L | 70 | Confident | 73.1 | Confident | 127 Ų | 127 | 96.2 Ų | 96.2 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.6 | -40 | 176.8 | -165.6 | 153.3 | 0 | 0 | 0 | 111.2 | D374 R375 V376 | L372-D374 VanDerWaalsContact C-N 3.33Å; L372-D374 PolarHBondContact O-N 3.43Å; L372-R375 WeakPolarHBondContact O-CB 3.44Å; L372-R375 PolarHBondContact O-N 3.26Å; L372-V376 HydrophobicContact CD2-CG2 4.22Å; L372-V376 WeakPolarHBondContact O-CG2 3.45Å; L372-V376 PolarHBondContact O-N 2.98Å |
| 373 | E | 78.4 | Confident | 72.4 | Confident | 113 Ų | 113 | 98 Ų | 98 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 173.5 | -177.4 | -172.9 | 177.3 | 0 | 0 | 111.8 | S371 R375 V376 K377 | S371-E373 VanDerWaalsContact C-N 3.28Å; S371-E373 PolarHBondContact O-N 2.86Å; S371-E373 PolarHBondContact OG-N 2.95Å; E373-R375 VanDerWaalsContact C-N 3.34Å; E373-V376 PolarHBondContact O-N 3.42Å; E373-K377 HydrophobicContact CG-CD 4.26Å; E373-K377 WeakPolarHBondContact O-CG 3.5Å; E373-K377 PolarHBondContact O-N 2.89Å; E373-K377 WeakPolarHBondContact OE1-CE 3.34Å; E373-K377 IonicContact OE1-NZ 3.78Å; E373-K377 PolarHBondContact OE1-NZ 3.15Å |
| 374 | D | 76.6 | Confident | 71.4 | Confident | 62 Ų | 62 | 99.9 Ų | 99.9 | 33% | 0.332 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.7 | -30.6 | -178.3 | -172.6 | 38.9 | 0 | 0 | 0 | 111.4 | S371 L372 R378 | S371-D374 WeakPolarHBondContact O-CB 3.34Å; S371-D374 PolarHBondContact O-N 3.41Å; S371-D374 VanDerWaalsContact O-N 3.14Å; L372-D374 VanDerWaalsContact C-N 3.33Å; L372-D374 PolarHBondContact O-N 3.43Å; D374-R378 WeakPolarHBondContact O-CG 3.43Å; D374-R378 PolarHBondContact O-N 2.9Å; D374-R378 PolarHBondContact O-NH1 3.11Å; D374-R378 IonicContact OD1-CZ 3.08Å; D374-R378 IonicContact OD1-NH1 3.26Å; D374-R378 PolarHBondContact OD1-NH1 3.09Å; D374-R378 IonicContact OD1-NH2 2.85Å; D374-R378 IonicContact OD2-CZ 3.65Å; D374-R378 IonicContact OD2-NH1 2.67Å; D374-R378 PolarHBondContact OD2-NH1 3.04Å; D374-R378 IonicContact OD2-NH2 3.28Å; D374-R378 PolarHBondContact OD2-NH2 2.93Å |
| 375 | R | 74.9 | Confident | 70.5 | Confident | 128 Ų | 128 | 104.9 Ų | 104.9 | 48% | 0.483 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 169.1 | -125.5 | 176.8 | -82.4 | 165.3 | -2 | 111.8 | A367 S370 S371 L372 E373 | A367-R375 PolarHBondContact O-NH2 3.03Å; S370-R375 PolarHBondContact O-NH2 2.92Å; S370-R375 PolarHBondContact OG-NE 2.67Å; S370-R375 PolarHBondContact OG-NH2 3.29Å; S371-R375 PolarHBondContact O-N 3.03Å; L372-R375 WeakPolarHBondContact O-CB 3.44Å; L372-R375 PolarHBondContact O-N 3.26Å; E373-R375 VanDerWaalsContact C-N 3.34Å |
| 376 | V | 74.6 | Confident | 69.7 | Low | 77 Ų | 77 | 103.9 Ų | 103.9 | 47% | 0.467 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.1 | -49 | 174.3 | 172 | 0 | 0 | 0 | 0 | 110.9 | L372 E373 R378 N379 I380 | L372-V376 HydrophobicContact CD2-CG2 4.22Å; L372-V376 WeakPolarHBondContact O-CG2 3.45Å; L372-V376 PolarHBondContact O-N 2.98Å; E373-V376 PolarHBondContact O-N 3.42Å; V376-R378 VanDerWaalsContact C-N 3.34Å; V376-R378 PolarHBondContact O-N 3.28Å; V376-N379 CarbonylContact O-C 3.58Å; V376-N379 WeakPolarHBondContact O-CA 3.44Å; V376-N379 WeakPolarHBondContact O-CB 3.32Å; V376-N379 PolarHBondContact O-N 2.79Å; V376-I380 HydrophobicContact CG1-CD1 4.17Å; V376-I380 HydrophobicContact CG1-CG1 4.19Å; V376-I380 WeakPolarHBondContact O-CG1 3.4Å; V376-I380 PolarHBondContact O-N 3.23Å |
| 377 | K | 75.7 | Confident | 69.2 | Low | 104 Ų | 104 | 105.9 Ų | 105.9 | 45% | 0.452 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.3 | -37.1 | -178.2 | -76.4 | 179 | -177.3 | 173.6 | 0 | 114.2 | E373 N379 I380 H381 | E373-K377 HydrophobicContact CG-CD 4.26Å; E373-K377 WeakPolarHBondContact O-CG 3.5Å; E373-K377 PolarHBondContact O-N 2.89Å; E373-K377 WeakPolarHBondContact OE1-CE 3.34Å; E373-K377 IonicContact OE1-NZ 3.78Å; E373-K377 PolarHBondContact OE1-NZ 3.15Å; K377-N379 PolarHBondContact O-N 2.93Å; K377-I380 HydrophobicContact CG-CD1 4.37Å; K377-I380 PolarHBondContact O-N 2.86Å; K377-H381 PolarHBondContact O-ND1 2.92Å; K377-H381 VanDerWaalsContact O-ND1 3.11Å |
| 378 | R | 73.5 | Confident | 68.5 | Low | 152 Ų | 152 | 106.7 Ų | 106.7 | 57% | 0.574 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.3 | -32.9 | 171.2 | -73.2 | -178.5 | -169.3 | 86.1 | -2.1 | 112.6 | D374 V376 | D374-R378 WeakPolarHBondContact O-CG 3.43Å; D374-R378 PolarHBondContact O-N 2.9Å; D374-R378 PolarHBondContact O-NH1 3.11Å; D374-R378 IonicContact OD1-CZ 3.08Å; D374-R378 IonicContact OD1-NH1 3.26Å; D374-R378 PolarHBondContact OD1-NH1 3.09Å; D374-R378 IonicContact OD1-NH2 2.85Å; D374-R378 IonicContact OD2-CZ 3.65Å; D374-R378 IonicContact OD2-NH1 2.67Å; D374-R378 PolarHBondContact OD2-NH1 3.04Å; D374-R378 IonicContact OD2-NH2 3.28Å; D374-R378 PolarHBondContact OD2-NH2 2.93Å; V376-R378 VanDerWaalsContact C-N 3.34Å; V376-R378 PolarHBondContact O-N 3.28Å |
| 379 | N | 70.4 | Confident | 67.8 | Low | 102 Ų | 102 | 105.2 Ų | 105.2 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -86.9 | -26 | -178.4 | -151.2 | 0.4 | 0 | 0 | 0 | 113.1 | V376 K377 H381 S382 | V376-N379 CarbonylContact O-C 3.58Å; V376-N379 WeakPolarHBondContact O-CA 3.44Å; V376-N379 WeakPolarHBondContact O-CB 3.32Å; V376-N379 PolarHBondContact O-N 2.79Å; K377-N379 PolarHBondContact O-N 2.93Å; N379-H381 PolarHBondContact O-N 2.76Å; N379-S382 WeakPolarHBondContact O-CB 3.46Å; N379-S382 PolarHBondContact O-N 2.8Å |
| 380 | I | 70.1 | Confident | 67 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -52.2 | -42.7 | 175.9 | -71.6 | 176.6 | 0 | 0 | 0 | 111.8 | V376 K377 | V376-I380 HydrophobicContact CG1-CD1 4.17Å; V376-I380 HydrophobicContact CG1-CG1 4.19Å; V376-I380 WeakPolarHBondContact O-CG1 3.4Å; V376-I380 PolarHBondContact O-N 3.23Å; K377-I380 HydrophobicContact CG-CD1 4.37Å; K377-I380 PolarHBondContact O-N 2.86Å |
| 381 | H | 60.8 | Low | 66.2 | Low | 150 Ų | 150 | 111.4 Ų | 111.4 | 69% | 0.694 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -10.7 | -174.4 | -56.4 | 92.6 | 0 | 0 | 0 | 113.9 | K377 N379 I383 | K377-H381 PolarHBondContact O-ND1 2.92Å; K377-H381 VanDerWaalsContact O-ND1 3.11Å; N379-H381 PolarHBondContact O-N 2.76Å; H381-I383 PolarHBondContact O-N 2.99Å |
| 382 | S | 59.1 | Low | 65.1 | Low | 88 Ų | 88 | 114.9 Ų | 114.9 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -22.2 | 173.7 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | N379 Q384 | N379-S382 WeakPolarHBondContact O-CB 3.46Å; N379-S382 PolarHBondContact O-N 2.8Å; S382-Q384 PolarHBondContact O-N 2.7Å; S382-Q384 VanDerWaalsContact O-N 3.1Å |
| 383 | I | 58.8 | Low | 64.5 | Low | 116 Ų | 116 | 118 Ų | 118 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -85.6 | 79.3 | 176 | -50.9 | 174.2 | 0 | 0 | 0 | 108.7 | H381 R385 | H381-I383 PolarHBondContact O-N 2.99Å; I383-R385 PolarHBondContact O-N 3.01Å |
| 384 | Q | 54.8 | Low | 63.3 | Low | 181 Ų | 181 | 121.1 Ų | 121.1 | 85% | 0.846 | 61% | 0.614 | S | S | * | * | trans | -61.1 | 106.1 | 170.6 | -71.2 | -172.6 | -10.7 | 0 | 0 | 109.7 | S382 T386 | S382-Q384 PolarHBondContact O-N 2.7Å; S382-Q384 VanDerWaalsContact O-N 3.1Å; Q384-T386 PolarHBondContact O-N 2.99Å | ||
| 385 | R | 57.1 | Low | 62.2 | Low | 199 Ų | 199 | 126.9 Ų | 126.9 | 75% | 0.751 | 64% | 0.636 | S | S | * | * | trans | -74.7 | 109.9 | 176.9 | -65.8 | 177.2 | -177.2 | -113.6 | 2.5 | 108.9 | I383 | I383-R385 PolarHBondContact O-N 3.01Š| ||
| 386 | T | 61.4 | Low | 60.7 | Low | 90 Ų | 90 | 136.2 Ų | 136.2 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | trans | -69.1 | 150.1 | 170.2 | 55.3 | 0 | 0 | 0 | 0 | 109.9 | Q384 A388 S389 | Q384-T386 PolarHBondContact O-N 2.99Å; T386-A388 PolarHBondContact O-N 3.48Å; T386-A388 VanDerWaalsContact O-N 3.15Å; T386-S389 WeakPolarHBondContact O-CB 3.48Å; T386-S389 PolarHBondContact O-N 3.25Å; T386-S389 PolarHBondContact O-OG 3.02Å | ||
| 387 | P | 58.2 | Low | 60 | Low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -57.8 | -33 | -175.6 | 19.6 | -32.1 | 0 | 0 | 0 | 113.1 | S389 L390 | P387-S389 PolarHBondContact O-N 2.94Å; P387-L390 PolarHBondContact O-N 3.48Å |
| 388 | A | 59.4 | Low | 59.2 | Low | 71 Ų | 71 | 141 Ų | 141 | 59% | 0.587 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -59.6 | -11 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T386 | T386-A388 PolarHBondContact O-N 3.48Å; T386-A388 VanDerWaalsContact O-N 3.15Å |
| 389 | S | 60.4 | Low | 58.4 | Low | 61 Ų | 61 | 140.4 Ų | 140.4 | 43% | 0.427 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -88.6 | -6.2 | 175.1 | 68.8 | 0 | 0 | 0 | 0 | 114.5 | T386 P387 | T386-S389 WeakPolarHBondContact O-CB 3.48Å; T386-S389 PolarHBondContact O-N 3.25Å; T386-S389 PolarHBondContact O-OG 3.02Å; P387-S389 PolarHBondContact O-N 2.94Å |
| 390 | L | 58.3 | Low | 57.7 | Low | 117 Ų | 117 | 142.6 Ų | 142.6 | 61% | 0.613 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -30.9 | -178.7 | -62.9 | 175.9 | 0 | 0 | 0 | 113.5 | P387 N392 | P387-L390 PolarHBondContact O-N 3.48Å; L390-N392 PolarHBondContact O-N 3.35Å; L390-N392 VanDerWaalsContact O-N 3.15Å |
| 391 | D | 57 | Low | 56.9 | Low | 132 Ų | 132 | 145.5 Ų | 145.5 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -13.1 | -171.6 | -71.1 | -25.2 | 0 | 0 | 0 | 115.6 | ||
| 392 | N | 57.9 | Low | 56.7 | Low | 139 Ų | 139 | 145.2 Ų | 145.2 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 2.3 | -170.8 | -72.7 | -50.7 | 0 | 0 | 0 | 115.2 | L390 | L390-N392 PolarHBondContact O-N 3.35Å; L390-N392 VanDerWaalsContact O-N 3.15Å |
| 393 | F | 57.8 | Low | 56.5 | Low | 193 Ų | 193 | 149.3 Ų | 149.3 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -92.6 | -14 | -173.9 | -159 | -101.5 | 0 | 0 | 0 | 115.2 | ||
| 394 | M | 52 | Low | 56.3 | Low | 178 Ų | 178 | 151.8 Ų | 151.8 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -110.3 | 21.7 | -175.2 | -76.7 | -71.6 | -156.7 | 0 | 0 | 114.3 | ||
| 395 | K | 55 | Low | 56.4 | Low | 184 Ų | 184 | 149.4 Ų | 149.4 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -133.8 | 73.7 | 176.8 | -77.6 | -174 | 176.9 | 174.1 | 0 | 113.3 | ||||
| 396 | R | 42.8 | Very low | 56.4 | Low | 323 Ų | 323 | 144.9 Ų | 144.9 | 100% | 1.219 | 73% | 0.733 | S | S | * | * | trans | 179.9 | 0 | 133.7 | -99.8 | 163.2 | -169.7 | -123.3 | 0.8 | 111.5 |
Retrieved 396 of 396 residues in 53.9 ms
(Link to these results)