| 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 | 74.6 | Confident | 86 | Confident | 106 Ų | 106 | 90.1 Ų | 90.1 | 52% | 0.522 | 54% | 0.541 | S | S | . | . | 0 | -77 | 0 | -67.5 | -98.8 | -87.5 | 0 | 0 | 112.6 | T3 E4 L5 L481 | M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.46Å; M1-E4 VanDerWaalsContact CA-OE2 3.32Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.92Å; M1-E4 PolarHBondContact O-N 3.31Å; M1-L5 WeakPolarHBondContact O-CB 3.46Å; M1-L5 WeakPolarHBondContact O-CG 3.31Å; M1-L5 PolarHBondContact O-N 2.91Å; M1-L481 HydrophobicContact CE-CD1 4.19Å | |||
| 2 | A | 78.6 | Confident | 86.4 | Confident | 84 Ų | 84 | 93.6 Ų | 93.6 | 69% | 0.694 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | A6 | A2-A6 WeakPolarHBondContact O-CB 3.4Å; A2-A6 PolarHBondContact O-N 3.33Å |
| 3 | T | 81.7 | Confident | 86.8 | Confident | 106 Ų | 106 | 92.9 Ų | 92.9 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.5 | -42.7 | 174.1 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | M1 A6 T7 | M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.46Å; T3-A6 WeakPolarHBondContact O-CB 3.4Å; T3-A6 PolarHBondContact O-N 3.13Å; T3-T7 WeakPolarHBondContact O-CG2 3.26Å; T3-T7 PolarHBondContact O-N 3.41Å; T3-T7 PolarHBondContact O-OG1 3.42Å |
| 4 | E | 84.4 | Confident | 87.2 | Confident | 120 Ų | 120 | 89.6 Ų | 89.6 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.8 | -38.4 | 177.3 | -66.6 | 163.4 | 159.5 | 0 | 0 | 112.4 | M1 A6 T7 V8 | M1-E4 VanDerWaalsContact CA-OE2 3.32Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.92Å; M1-E4 PolarHBondContact O-N 3.31Å; E4-A6 VanDerWaalsContact C-N 3.33Å; E4-T7 WeakPolarHBondContact CA-OG1 3.45Å; E4-T7 PolarHBondContact O-N 3.29Å; E4-T7 PolarHBondContact O-OG1 3.09Å; E4-V8 VanDerWaalsContact O-CG2 3.32Å; E4-V8 WeakPolarHBondContact O-CG2 3.38Å; E4-V8 PolarHBondContact O-N 2.97Å |
| 5 | L | 87.5 | Confident | 87.5 | Confident | 115 Ų | 115 | 92.9 Ų | 92.9 | 60% | 0.602 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -38 | 171.7 | -75.1 | 169 | 0 | 0 | 0 | 110.7 | M1 V8 V9 | M1-L5 WeakPolarHBondContact O-CB 3.46Å; M1-L5 WeakPolarHBondContact O-CG 3.31Å; M1-L5 PolarHBondContact O-N 2.91Å; L5-V8 PolarHBondContact O-N 3.23Å; L5-V9 WeakPolarHBondContact O-CB 3.35Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 2.94Å |
| 6 | A | 88.1 | Confident | 87.7 | Confident | 60 Ų | 60 | 92.1 Ų | 92.1 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2 T3 E4 S10 | A2-A6 WeakPolarHBondContact O-CB 3.4Å; A2-A6 PolarHBondContact O-N 3.33Å; T3-A6 WeakPolarHBondContact O-CB 3.4Å; T3-A6 PolarHBondContact O-N 3.13Å; E4-A6 VanDerWaalsContact C-N 3.33Å; A6-S10 VanDerWaalsContact O-CB 3.23Å; A6-S10 WeakPolarHBondContact O-CB 3.33Å; A6-S10 PolarHBondContact O-N 2.9Å |
| 7 | T | 89.4 | Confident | 88 | Confident | 80 Ų | 80 | 92.6 Ų | 92.6 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 174.6 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | T3 E4 S10 D11 | T3-T7 WeakPolarHBondContact O-CG2 3.26Å; T3-T7 PolarHBondContact O-N 3.41Å; T3-T7 PolarHBondContact O-OG1 3.42Å; E4-T7 WeakPolarHBondContact CA-OG1 3.45Å; E4-T7 PolarHBondContact O-N 3.29Å; E4-T7 PolarHBondContact O-OG1 3.09Å; T7-S10 PolarHBondContact O-N 3.48Å; T7-D11 WeakPolarHBondContact O-CB 3.39Å; T7-D11 VanDerWaalsContact O-CG 3.3Å; T7-D11 PolarHBondContact O-N 3.41Å |
| 8 | V | 88.7 | Confident | 88.2 | Confident | 71 Ų | 71 | 94.9 Ų | 94.9 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | E4 L5 D11 Y12 | E4-V8 VanDerWaalsContact O-CG2 3.32Å; E4-V8 WeakPolarHBondContact O-CG2 3.38Å; E4-V8 PolarHBondContact O-N 2.97Å; L5-V8 PolarHBondContact O-N 3.23Å; V8-D11 PolarHBondContact O-N 3.31Å; V8-Y12 HydrophobicContact CG1-CD2 3.83Å; V8-Y12 HydrophobicContact CG1-CE2 3.92Å; V8-Y12 VanDerWaalsContact O-CD2 3.31Å; V8-Y12 WeakPolarHBondContact O-CD2 3.4Å; V8-Y12 PolarHBondContact O-N 2.98Å |
| 9 | V | 91 | Very high | 88.3 | Confident | 82 Ų | 82 | 91.4 Ų | 91.4 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | L5 D11 Y12 D13 | L5-V9 WeakPolarHBondContact O-CB 3.35Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 2.94Å; V9-D11 PolarHBondContact O-N 3.24Å; V9-Y12 PolarHBondContact O-N 2.83Å; V9-D13 PolarHBondContact O-N 2.82Å |
| 10 | S | 91.3 | Very high | 88.5 | Confident | 72 Ų | 72 | 94.3 Ų | 94.3 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 175.9 | -174.2 | 0 | 0 | 0 | 0 | 112.9 | A6 T7 D13 A14 | A6-S10 VanDerWaalsContact O-CB 3.23Å; A6-S10 WeakPolarHBondContact O-CB 3.33Å; A6-S10 PolarHBondContact O-N 2.9Å; T7-S10 PolarHBondContact O-N 3.48Å; S10-D13 PolarHBondContact O-N 2.96Å; S10-A14 WeakPolarHBondContact O-CB 3.36Å; S10-A14 PolarHBondContact O-N 3.44Å |
| 11 | D | 91.2 | Very high | 88.8 | Confident | 95 Ų | 95 | 96.2 Ų | 96.2 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 177.2 | -74.2 | -11.5 | 0 | 0 | 0 | 111.9 | T7 V8 V9 K15 | T7-D11 WeakPolarHBondContact O-CB 3.39Å; T7-D11 VanDerWaalsContact O-CG 3.3Å; T7-D11 PolarHBondContact O-N 3.41Å; V8-D11 PolarHBondContact O-N 3.31Å; V9-D11 PolarHBondContact O-N 3.24Å; D11-K15 WeakPolarHBondContact O-CG 3.47Å; D11-K15 PolarHBondContact O-N 3.38Å; D11-K15 VanDerWaalsContact O-N 3.12Å |
| 12 | Y | 90.8 | Very high | 89.7 | Confident | 132 Ų | 132 | 96 Ų | 96 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 173.2 | -93.5 | -78.7 | 0 | 0 | 0 | 111.7 | V8 V9 K15 L16 | V8-Y12 HydrophobicContact CG1-CD2 3.83Å; V8-Y12 HydrophobicContact CG1-CE2 3.92Å; V8-Y12 VanDerWaalsContact O-CD2 3.31Å; V8-Y12 WeakPolarHBondContact O-CD2 3.4Å; V8-Y12 PolarHBondContact O-N 2.98Å; V9-Y12 PolarHBondContact O-N 2.83Å; Y12-K15 PolarHBondContact O-N 2.87Å; Y12-L16 WeakPolarHBondContact O-CB 3.41Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 3.47Å |
| 13 | D | 91.5 | Very high | 90.2 | Very high | 85 Ų | 85 | 92.9 Ų | 92.9 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 176.6 | -74.3 | -19.1 | 0 | 0 | 0 | 111.5 | V9 S10 L16 N17 | V9-D13 PolarHBondContact O-N 2.82Å; S10-D13 PolarHBondContact O-N 2.96Å; D13-L16 PolarHBondContact O-N 3.34Å; D13-N17 WeakPolarHBondContact O-CB 3.28Å; D13-N17 VanDerWaalsContact O-CG 3.29Å; D13-N17 PolarHBondContact O-N 3.38Å; D13-N17 PolarHBondContact O-ND2 3.48Å |
| 14 | A | 91.8 | Very high | 90.7 | Very high | 46 Ų | 46 | 91 Ų | 91 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | S10 L16 N17 E18 | S10-A14 WeakPolarHBondContact O-CB 3.36Å; S10-A14 PolarHBondContact O-N 3.44Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 2.85Å; A14-N17 PolarHBondContact O-N 2.9Å; A14-E18 PolarHBondContact O-N 3.01Å |
| 15 | K | 92.5 | Very high | 91.1 | Very high | 139 Ų | 139 | 87.7 Ų | 87.7 | 60% | 0.604 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.3 | -34.9 | 177 | -73.3 | 173.5 | -175.7 | 169 | 0 | 113 | D11 Y12 A19 | D11-K15 WeakPolarHBondContact O-CG 3.47Å; D11-K15 PolarHBondContact O-N 3.38Å; D11-K15 VanDerWaalsContact O-N 3.12Å; Y12-K15 PolarHBondContact O-N 2.87Å; K15-A19 VanDerWaalsContact O-CB 3.32Å; K15-A19 WeakPolarHBondContact O-CB 3.29Å; K15-A19 PolarHBondContact O-N 3.23Å |
| 16 | L | 90.8 | Very high | 91.4 | Very high | 81 Ų | 81 | 85.4 Ų | 85.4 | 42% | 0.424 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 173.7 | -82.9 | 166.8 | 0 | 0 | 0 | 111 | Y12 D13 A14 A19 W20 F51 | Y12-L16 WeakPolarHBondContact O-CB 3.41Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 3.47Å; D13-L16 PolarHBondContact O-N 3.34Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 2.85Å; L16-A19 PolarHBondContact O-N 2.91Å; L16-W20 WeakPolarHBondContact O-CB 3.44Å; L16-W20 PolarHBondContact O-N 3.02Å; L16-F51 HydrophobicContact CD2-CZ 4.31Å |
| 17 | N | 91.8 | Very high | 91.5 | Very high | 101 Ų | 101 | 85 Ų | 85 | 54% | 0.54 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 175.4 | -73.5 | -22 | 0 | 0 | 0 | 112 | D13 A14 A19 W20 E21 | D13-N17 WeakPolarHBondContact O-CB 3.28Å; D13-N17 VanDerWaalsContact O-CG 3.29Å; D13-N17 PolarHBondContact O-N 3.38Å; D13-N17 PolarHBondContact O-ND2 3.48Å; A14-N17 PolarHBondContact O-N 2.9Å; N17-A19 VanDerWaalsContact C-N 3.33Å; N17-A19 PolarHBondContact O-N 3.45Å; N17-W20 WeakPolarHBondContact O-CB 3.32Å; N17-W20 PolarHBondContact O-N 3.42Å; N17-W20 VanDerWaalsContact O-N 3.12Å; N17-E21 WeakPolarHBondContact O-CG 3.36Å; N17-E21 PolarHBondContact O-N 2.96Å |
| 18 | E | 92.4 | Very high | 91.7 | Very high | 133 Ų | 133 | 85.4 Ų | 85.4 | 62% | 0.621 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.3 | -42.4 | 174.2 | -74 | 179.1 | -179.1 | 0 | 0 | 112 | A14 W20 E21 H22 | A14-E18 PolarHBondContact O-N 3.01Å; E18-W20 VanDerWaalsContact C-N 3.29Å; E18-W20 PolarHBondContact O-N 3.34Å; E18-E21 PolarHBondContact O-N 3.36Å; E18-H22 WeakPolarHBondContact O-CB 3.31Å; E18-H22 PolarHBondContact O-N 3.44Å |
| 19 | A | 89.9 | Confident | 91.9 | Very high | 28 Ų | 28 | 85.9 Ų | 85.9 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.9 | -33.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K15 L16 N17 M23 V50 | K15-A19 VanDerWaalsContact O-CB 3.32Å; K15-A19 WeakPolarHBondContact O-CB 3.29Å; K15-A19 PolarHBondContact O-N 3.23Å; L16-A19 PolarHBondContact O-N 2.91Å; N17-A19 VanDerWaalsContact C-N 3.33Å; N17-A19 PolarHBondContact O-N 3.45Å; A19-M23 WeakPolarHBondContact O-CB 3.26Å; A19-M23 PolarHBondContact O-N 3.48Å; A19-V50 HydrophobicContact CB-CG1 4.46Å |
| 20 | W | 91.8 | Very high | 91.9 | Very high | 149 Ų | 149 | 85.4 Ų | 85.4 | 56% | 0.564 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -71.2 | -42.6 | 176.6 | -165.1 | 73.5 | 0 | 0 | 0 | 111.8 | L16 N17 E18 M23 H24 | L16-W20 WeakPolarHBondContact O-CB 3.44Å; L16-W20 PolarHBondContact O-N 3.02Å; N17-W20 WeakPolarHBondContact O-CB 3.32Å; N17-W20 PolarHBondContact O-N 3.42Å; N17-W20 VanDerWaalsContact O-N 3.12Å; E18-W20 VanDerWaalsContact C-N 3.29Å; E18-W20 PolarHBondContact O-N 3.34Å; W20-M23 HydrophobicContact CG-CE 4.25Å; W20-M23 WeakPolarHBondContact O-CB 3.47Å; W20-M23 PolarHBondContact O-N 3.49Å; W20-H24 AromaticContact CD2-CD2 3.67Å; W20-H24 AromaticContact CD2-NE2 3.79Å; W20-H24 AromaticContact CE2-CD2 3.65Å; W20-H24 AromaticContact CE2-NE2 3.22Å; W20-H24 AromaticContact CE3-CD2 3.8Å; W20-H24 AromaticContact CH2-CD2 3.91Å; W20-H24 AromaticContact CH2-NE2 3.5Å; W20-H24 WeakPolarHBondContact CH2-NE2 3.29Å; W20-H24 AromaticContact CZ2-CD2 3.8Å; W20-H24 AromaticContact CZ2-NE2 3.08Å; W20-H24 WeakPolarHBondContact CZ2-NE2 3.33Å; W20-H24 AromaticContact CZ3-CD2 3.91Å; W20-H24 AromaticContact CZ3-NE2 4Å; W20-H24 AromaticContact NE1-NE2 3.71Å; W20-H24 PolarHBondContact O-CD2 3.08Å; W20-H24 PolarHBondContact O-N 3.3Å |
| 21 | E | 94 | Very high | 92 | Very high | 136 Ų | 136 | 87.7 Ų | 87.7 | 64% | 0.636 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.1 | -43.4 | 172.8 | -71.8 | -173 | 168.2 | 0 | 0 | 112 | N17 E18 M23 H24 A25 | N17-E21 WeakPolarHBondContact O-CG 3.36Å; N17-E21 PolarHBondContact O-N 2.96Å; E18-E21 PolarHBondContact O-N 3.36Å; E21-M23 VanDerWaalsContact C-N 3.29Å; E21-M23 PolarHBondContact O-N 3.46Å; E21-H24 PolarHBondContact O-N 2.85Å; E21-A25 PolarHBondContact O-N 3.24Å |
| 22 | H | 93.5 | Very high | 92.1 | Very high | 101 Ų | 101 | 90.7 Ų | 90.7 | 47% | 0.468 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.5 | -174 | -94.4 | 0 | 0 | 0 | 112 | E18 A25 L26 Y46 | E18-H22 WeakPolarHBondContact O-CB 3.31Å; E18-H22 PolarHBondContact O-N 3.44Å; H22-A25 PolarHBondContact O-N 3.46Å; H22-L26 WeakPolarHBondContact O-CG 3.4Å; H22-L26 PolarHBondContact O-N 3.43Å; H22-Y46 PolarHBondContact ND1-OH 3.09Å |
| 23 | M | 90.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 91.6 Ų | 91.6 | 9% | 0.089 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66 | -39.8 | 175.4 | -178 | 178.9 | 53.2 | 0 | 0 | 111.9 | A19 W20 E21 L26 E27 V43 Y46 L47 | A19-M23 WeakPolarHBondContact O-CB 3.26Å; A19-M23 PolarHBondContact O-N 3.48Å; W20-M23 HydrophobicContact CG-CE 4.25Å; W20-M23 WeakPolarHBondContact O-CB 3.47Å; W20-M23 PolarHBondContact O-N 3.49Å; E21-M23 VanDerWaalsContact C-N 3.29Å; E21-M23 PolarHBondContact O-N 3.46Å; M23-L26 PolarHBondContact O-N 2.96Å; M23-E27 PolarHBondContact O-N 3.39Å; M23-V43 HydrophobicContact SD-CG1 3.81Å; M23-Y46 HydrophobicContact CB-CD1 4.4Å; M23-Y46 HydrophobicContact CB-CE1 4.15Å; M23-Y46 HydrophobicContact CG-CD1 4.26Å; M23-Y46 HydrophobicContact CG-CE1 4.5Å; M23-Y46 HydrophobicContact SD-CD1 4.22Å; M23-L47 HydrophobicContact SD-CG 4.45Å |
| 24 | H | 91.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 90.6 Ų | 90.6 | 31% | 0.306 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 174.5 | -84.5 | -57.6 | 0 | 0 | 0 | 112.8 | W20 E21 L26 E27 D28 | W20-H24 AromaticContact CD2-CD2 3.67Å; W20-H24 AromaticContact CD2-NE2 3.79Å; W20-H24 AromaticContact CE2-CD2 3.65Å; W20-H24 AromaticContact CE2-NE2 3.22Å; W20-H24 AromaticContact CE3-CD2 3.8Å; W20-H24 AromaticContact CH2-CD2 3.91Å; W20-H24 AromaticContact CH2-NE2 3.5Å; W20-H24 WeakPolarHBondContact CH2-NE2 3.29Å; W20-H24 AromaticContact CZ2-CD2 3.8Å; W20-H24 AromaticContact CZ2-NE2 3.08Å; W20-H24 WeakPolarHBondContact CZ2-NE2 3.33Å; W20-H24 AromaticContact CZ3-CD2 3.91Å; W20-H24 AromaticContact CZ3-NE2 4Å; W20-H24 AromaticContact NE1-NE2 3.71Å; W20-H24 PolarHBondContact O-CD2 3.08Å; W20-H24 PolarHBondContact O-N 3.3Å; E21-H24 PolarHBondContact O-N 2.85Å; H24-L26 VanDerWaalsContact C-N 3.34Å; H24-L26 PolarHBondContact O-N 3.24Å; H24-E27 IonicContact CE1-OE2 3.5Å; H24-E27 IonicContact ND1-OE2 2.66Å; H24-E27 WeakPolarHBondContact O-CB 3.37Å; H24-E27 PolarHBondContact O-N 2.93Å; H24-E27 VanDerWaalsContact O-N 3.13Å; H24-D28 PolarHBondContact O-N 3.46Å |
| 25 | A | 93.1 | Very high | 92.4 | Very high | 51 Ų | 51 | 91.4 Ų | 91.4 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E21 H22 E27 D28 D29 | E21-A25 PolarHBondContact O-N 3.24Å; H22-A25 PolarHBondContact O-N 3.46Å; A25-E27 VanDerWaalsContact C-N 3.31Å; A25-E27 PolarHBondContact O-N 2.85Å; A25-D28 PolarHBondContact O-N 2.91Å; A25-D29 PolarHBondContact O-N 2.81Å |
| 26 | L | 92.9 | Very high | 92.2 | Very high | 68 Ų | 68 | 93.6 Ų | 93.6 | 36% | 0.356 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 173.4 | -73.5 | 175.7 | 0 | 0 | 0 | 112.3 | H22 M23 H24 F30 F38 Y46 | H22-L26 WeakPolarHBondContact O-CG 3.4Å; H22-L26 PolarHBondContact O-N 3.43Å; M23-L26 PolarHBondContact O-N 2.96Å; H24-L26 VanDerWaalsContact C-N 3.34Å; H24-L26 PolarHBondContact O-N 3.24Å; L26-F30 VanDerWaalsContact O-CB 3.24Å; L26-F30 WeakPolarHBondContact O-CB 3.38Å; L26-F30 PolarHBondContact O-N 3.23Å; L26-F38 HydrophobicContact CB-CE2 4.23Å; L26-F38 WeakPolarHBondContact O-CE2 3.49Å; L26-Y46 HydrophobicContact CD1-CE2 4.11Å |
| 27 | E | 91.4 | Very high | 92.1 | Very high | 50 Ų | 50 | 93.7 Ų | 93.7 | 23% | 0.234 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 177.2 | -172.3 | 170.5 | -164.3 | 0 | 0 | 111.6 | M23 H24 A25 F30 K31 F38 | M23-E27 PolarHBondContact O-N 3.39Å; H24-E27 IonicContact CE1-OE2 3.5Å; H24-E27 IonicContact ND1-OE2 2.66Å; H24-E27 WeakPolarHBondContact O-CB 3.37Å; H24-E27 PolarHBondContact O-N 2.93Å; H24-E27 VanDerWaalsContact O-N 3.13Å; A25-E27 VanDerWaalsContact C-N 3.31Å; A25-E27 PolarHBondContact O-N 2.85Å; E27-F30 PolarHBondContact O-N 3.49Å; E27-K31 WeakPolarHBondContact O-CB 3.43Å; E27-K31 PolarHBondContact O-N 2.84Å; E27-F38 VanDerWaalsContact CA-CE2 3.45Å; E27-F38 HydrophobicContact CB-CD2 3.7Å; E27-F38 HydrophobicContact CB-CE2 4.07Å; E27-F38 HydrophobicContact CG-CD2 3.8Å |
| 28 | D | 92.7 | Very high | 91.7 | Very high | 90 Ų | 90 | 91 Ų | 91 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.6 | -79.9 | -20.1 | 0 | 0 | 0 | 111.8 | H24 A25 K31 K32 | H24-D28 PolarHBondContact O-N 3.46Å; A25-D28 PolarHBondContact O-N 2.91Å; D28-K31 PolarHBondContact O-N 3.47Å; D28-K32 VanDerWaalsContact O-CG 3.25Å; D28-K32 WeakPolarHBondContact O-CG 3.23Å; D28-K32 PolarHBondContact O-N 2.81Å |
| 29 | D | 93.5 | Very high | 91.5 | Very high | 80 Ų | 80 | 86.6 Ų | 86.6 | 43% | 0.428 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.1 | -39.5 | 177.4 | -73.1 | -14.2 | 0 | 0 | 0 | 112.3 | A25 K31 K32 L33 | A25-D29 PolarHBondContact O-N 2.81Å; D29-K31 VanDerWaalsContact C-N 3.33Å; D29-K31 PolarHBondContact O-N 2.88Å; D29-K32 PolarHBondContact O-N 3.38Å; D29-K32 IonicContact OD1-NZ 2.69Å; D29-K32 PolarHBondContact OD1-NZ 3.42Å; D29-L33 WeakPolarHBondContact O-CB 3.44Å; D29-L33 WeakPolarHBondContact O-CG 3.3Å; D29-L33 PolarHBondContact O-N 2.83Å |
| 30 | F | 91.6 | Very high | 91.2 | Very high | 72 Ų | 72 | 96 Ų | 96 | 32% | 0.316 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 172.9 | -175.7 | -95.3 | 0 | 0 | 0 | 111.9 | L26 E27 L33 T34 R36 F38 | L26-F30 VanDerWaalsContact O-CB 3.24Å; L26-F30 WeakPolarHBondContact O-CB 3.38Å; L26-F30 PolarHBondContact O-N 3.23Å; E27-F30 PolarHBondContact O-N 3.49Å; F30-L33 PolarHBondContact O-N 2.8Å; F30-T34 HydrophobicContact CD1-CG2 4.44Å; F30-T34 HydrophobicContact CD2-CG2 4.1Å; F30-T34 HydrophobicContact CE1-CG2 4.07Å; F30-T34 VanDerWaalsContact CE1-OG1 3.31Å; F30-T34 WeakPolarHBondContact CE1-OG1 3.28Å; F30-T34 HydrophobicContact CE2-CG2 3.7Å; F30-T34 HydrophobicContact CG-CG2 4.46Å; F30-T34 HydrophobicContact CZ-CG2 3.69Å; F30-T34 WeakPolarHBondContact O-CB 3.47Å; F30-T34 PolarHBondContact O-N 3.32Å; F30-T34 PolarHBondContact O-OG1 3.41Å; F30-R36 WeakPolarHBondContact CD1-O 3.42Å; F30-F38 HydrophobicContact CB-CD2 4.37Å; F30-F38 HydrophobicContact CB-CE1 3.96Å; F30-F38 HydrophobicContact CB-CE2 3.75Å; F30-F38 HydrophobicContact CB-CZ 3.5Å; F30-F38 AromaticContact CD1-CD1 3.87Å; F30-F38 HydrophobicContact CD1-CD1 3.87Å; F30-F38 AromaticContact CD1-CE1 3.92Å; F30-F38 HydrophobicContact CD1-CE1 3.92Å; F30-F38 HydrophobicContact CD1-CG 4.21Å; F30-F38 HydrophobicContact CD1-CZ 4.3Å; F30-F38 HydrophobicContact CD2-CD1 4.34Å; F30-F38 AromaticContact CD2-CE1 3.61Å; F30-F38 HydrophobicContact CD2-CE1 3.61Å; F30-F38 AromaticContact CD2-CZ 3.92Å; F30-F38 HydrophobicContact CD2-CZ 3.92Å; F30-F38 HydrophobicContact CE1-CD1 4.11Å; F30-F38 HydrophobicContact CE1-CE1 4.33Å; F30-F38 HydrophobicContact CE2-CE1 4.04Å; F30-F38 AromaticContact CG-CD1 4Å; F30-F38 HydrophobicContact CG-CD1 4Å; F30-F38 AromaticContact CG-CE1 3.54Å; F30-F38 HydrophobicContact CG-CE1 3.54Å; F30-F38 HydrophobicContact CG-CE2 4.2Å; F30-F38 HydrophobicContact CG-CG 4.49Å; F30-F38 AromaticContact CG-CZ 3.65Å; F30-F38 HydrophobicContact CG-CZ 3.65Å; F30-F38 HydrophobicContact CZ-CD1 4.44Å; F30-F38 HydrophobicContact CZ-CE1 4.38Å |
| 31 | K | 93 | Very high | 90.8 | Very high | 120 Ų | 120 | 96.9 Ų | 96.9 | 52% | 0.522 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 176.6 | -172.4 | 178.4 | 178.3 | -176.1 | 0 | 111.8 | E27 D28 D29 G35 | E27-K31 WeakPolarHBondContact O-CB 3.43Å; E27-K31 PolarHBondContact O-N 2.84Å; D28-K31 PolarHBondContact O-N 3.47Å; D29-K31 VanDerWaalsContact C-N 3.33Å; D29-K31 PolarHBondContact O-N 2.88Å; K31-G35 WeakPolarHBondContact O-CA 3.31Å; K31-G35 PolarHBondContact O-N 3.23Å |
| 32 | K | 93.8 | Very high | 90.4 | Very high | 159 Ų | 159 | 93.8 Ų | 93.8 | 69% | 0.691 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 171.3 | -73.4 | 169.3 | -159.7 | 156 | 0 | 111.9 | D28 D29 | D28-K32 VanDerWaalsContact O-CG 3.25Å; D28-K32 WeakPolarHBondContact O-CG 3.23Å; D28-K32 PolarHBondContact O-N 2.81Å; D29-K32 PolarHBondContact O-N 3.38Å; D29-K32 IonicContact OD1-NZ 2.69Å; D29-K32 PolarHBondContact OD1-NZ 3.42Å |
| 33 | L | 93.7 | Very high | 89.9 | Confident | 150 Ų | 150 | 91 Ų | 91 | 79% | 0.785 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -76.7 | -39.5 | -177.6 | -74.5 | 167.6 | 0 | 0 | 0 | 113.5 | D29 F30 | D29-L33 WeakPolarHBondContact O-CB 3.44Å; D29-L33 WeakPolarHBondContact O-CG 3.3Å; D29-L33 PolarHBondContact O-N 2.83Å; F30-L33 PolarHBondContact O-N 2.8Å |
| 34 | T | 92 | Very high | 89.5 | Confident | 64 Ų | 64 | 96.4 Ų | 96.4 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -110 | -14.6 | -170.6 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | F30 R36 | F30-T34 HydrophobicContact CD1-CG2 4.44Å; F30-T34 HydrophobicContact CD2-CG2 4.1Å; F30-T34 HydrophobicContact CE1-CG2 4.07Å; F30-T34 VanDerWaalsContact CE1-OG1 3.31Å; F30-T34 WeakPolarHBondContact CE1-OG1 3.28Å; F30-T34 HydrophobicContact CE2-CG2 3.7Å; F30-T34 HydrophobicContact CG-CG2 4.46Å; F30-T34 HydrophobicContact CZ-CG2 3.69Å; F30-T34 WeakPolarHBondContact O-CB 3.47Å; F30-T34 PolarHBondContact O-N 3.32Å; F30-T34 PolarHBondContact O-OG1 3.41Å; T34-R36 PolarHBondContact O-N 2.84Å; T34-R36 PolarHBondContact OG1-N 3.47Å; T34-R36 PolarHBondContact OG1-O 2.83Å |
| 35 | G | 93.8 | Very high | 89.2 | Confident | 64 Ų | 64 | 96 Ų | 96 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 66.8 | 8.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | K31 | K31-G35 WeakPolarHBondContact O-CA 3.31Å; K31-G35 PolarHBondContact O-N 3.23Å |
| 36 | R | 89.2 | Confident | 88.8 | Confident | 185 Ų | 185 | 97 Ų | 97 | 70% | 0.698 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -123.6 | 142.3 | -178.4 | -63.1 | -174.9 | -178.7 | -150.7 | 0.5 | 110.6 | F30 T34 | F30-R36 WeakPolarHBondContact CD1-O 3.42Å; T34-R36 PolarHBondContact O-N 2.84Å; T34-R36 PolarHBondContact OG1-N 3.47Å; T34-R36 PolarHBondContact OG1-O 2.83Å |
| 37 | P | 87.7 | Confident | 88.2 | Confident | 82 Ų | 82 | 97 Ų | 97 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 160.3 | 171.9 | 30.4 | -34.2 | 0 | 0 | 0 | 110.6 | G39 | P37-G39 PolarHBondContact O-N 3.43Š|
| 38 | F | 84.5 | Confident | 87.8 | Confident | 45 Ų | 45 | 103.2 Ų | 103.2 | 20% | 0.197 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 131.7 | 172.9 | -87.1 | -58.5 | 0 | 0 | 0 | 110.4 | L26 E27 F30 V42 V43 | L26-F38 HydrophobicContact CB-CE2 4.23Å; L26-F38 WeakPolarHBondContact O-CE2 3.49Å; E27-F38 VanDerWaalsContact CA-CE2 3.45Å; E27-F38 HydrophobicContact CB-CD2 3.7Å; E27-F38 HydrophobicContact CB-CE2 4.07Å; E27-F38 HydrophobicContact CG-CD2 3.8Å; F30-F38 HydrophobicContact CB-CD2 4.37Å; F30-F38 HydrophobicContact CB-CE1 3.96Å; F30-F38 HydrophobicContact CB-CE2 3.75Å; F30-F38 HydrophobicContact CB-CZ 3.5Å; F30-F38 AromaticContact CD1-CD1 3.87Å; F30-F38 HydrophobicContact CD1-CD1 3.87Å; F30-F38 AromaticContact CD1-CE1 3.92Å; F30-F38 HydrophobicContact CD1-CE1 3.92Å; F30-F38 HydrophobicContact CD1-CG 4.21Å; F30-F38 HydrophobicContact CD1-CZ 4.3Å; F30-F38 HydrophobicContact CD2-CD1 4.34Å; F30-F38 AromaticContact CD2-CE1 3.61Å; F30-F38 HydrophobicContact CD2-CE1 3.61Å; F30-F38 AromaticContact CD2-CZ 3.92Å; F30-F38 HydrophobicContact CD2-CZ 3.92Å; F30-F38 HydrophobicContact CE1-CD1 4.11Å; F30-F38 HydrophobicContact CE1-CE1 4.33Å; F30-F38 HydrophobicContact CE2-CE1 4.04Å; F30-F38 AromaticContact CG-CD1 4Å; F30-F38 HydrophobicContact CG-CD1 4Å; F30-F38 AromaticContact CG-CE1 3.54Å; F30-F38 HydrophobicContact CG-CE1 3.54Å; F30-F38 HydrophobicContact CG-CE2 4.2Å; F30-F38 HydrophobicContact CG-CG 4.49Å; F30-F38 AromaticContact CG-CZ 3.65Å; F30-F38 HydrophobicContact CG-CZ 3.65Å; F30-F38 HydrophobicContact CZ-CD1 4.44Å; F30-F38 HydrophobicContact CZ-CE1 4.38Å; F38-V42 HydrophobicContact CD1-CB 3.76Å; F38-V42 HydrophobicContact CD1-CG1 3.5Å; F38-V42 HydrophobicContact CD1-CG2 4.17Å; F38-V42 HydrophobicContact CE1-CB 4.39Å; F38-V42 HydrophobicContact CE1-CG1 3.63Å; F38-V42 HydrophobicContact CG-CB 4.41Å; F38-V42 HydrophobicContact CG-CG1 4.34Å; F38-V43 HydrophobicContact CB-CG2 4.02Å |
| 39 | G | 87.3 | Confident | 87.3 | Confident | 41 Ų | 41 | 103.9 Ų | 103.9 | 42% | 0.423 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 141.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P37 H41 V42 | P37-G39 PolarHBondContact O-N 3.43Å; G39-H41 PolarHBondContact O-N 3.39Å; G39-V42 PolarHBondContact O-N 3.48Å |
| 40 | R | 83.4 | Confident | 86.7 | Confident | 226 Ų | 226 | 101.7 Ų | 101.7 | 85% | 0.853 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -49.6 | -30.3 | 179.4 | -70.4 | -176 | 179.3 | -172.5 | -0.7 | 113.3 | V42 H44 | R40-V42 PolarHBondContact O-N 2.88Å; R40-H44 WeakPolarHBondContact O-CB 2.86Å; R40-H44 PolarHBondContact O-N 2.89Å |
| 41 | H | 83.5 | Confident | 86.1 | Confident | 167 Ų | 167 | 103.3 Ų | 103.3 | 77% | 0.773 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -35 | 176 | -61 | -65.4 | 0 | 0 | 0 | 113.7 | G39 A45 | G39-H41 PolarHBondContact O-N 3.39Å; H41-A45 VanDerWaalsContact O-CB 3.24Å; H41-A45 WeakPolarHBondContact O-CB 3.36Å; H41-A45 PolarHBondContact O-N 2.74Å |
| 42 | V | 84.9 | Confident | 85.4 | Confident | 71 Ų | 71 | 100.9 Ų | 100.9 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.6 | -43.5 | 179.2 | -174 | 0 | 0 | 0 | 0 | 110.3 | F38 G39 R40 H44 A45 Y46 | F38-V42 HydrophobicContact CD1-CB 3.76Å; F38-V42 HydrophobicContact CD1-CG1 3.5Å; F38-V42 HydrophobicContact CD1-CG2 4.17Å; F38-V42 HydrophobicContact CE1-CB 4.39Å; F38-V42 HydrophobicContact CE1-CG1 3.63Å; F38-V42 HydrophobicContact CG-CB 4.41Å; F38-V42 HydrophobicContact CG-CG1 4.34Å; G39-V42 PolarHBondContact O-N 3.48Å; R40-V42 PolarHBondContact O-N 2.88Å; V42-H44 VanDerWaalsContact C-N 3.32Å; V42-H44 PolarHBondContact O-N 3.2Å; V42-A45 PolarHBondContact O-N 2.83Å; V42-Y46 WeakPolarHBondContact O-CB 3.45Å; V42-Y46 PolarHBondContact O-N 3.35Å |
| 43 | V | 84.2 | Confident | 84.3 | Confident | 41 Ų | 41 | 102.8 Ų | 102.8 | 25% | 0.248 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | M23 F38 A45 Y46 L47 | M23-V43 HydrophobicContact SD-CG1 3.81Å; F38-V43 HydrophobicContact CB-CG2 4.02Å; V43-A45 VanDerWaalsContact C-N 3.35Å; V43-A45 PolarHBondContact O-N 2.82Å; V43-Y46 PolarHBondContact O-N 3.37Å; V43-L47 HydrophobicContact CG1-CD1 4.03Å; V43-L47 WeakPolarHBondContact O-CB 3.18Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 2.88Å |
| 44 | H | 82.2 | Confident | 83.1 | Confident | 133 Ų | 133 | 99.8 Ų | 99.8 | 62% | 0.616 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.9 | -32.4 | -180 | -153.5 | -66.7 | 0 | 0 | 0 | 112.8 | R40 V42 R48 | R40-H44 WeakPolarHBondContact O-CB 2.86Å; R40-H44 PolarHBondContact O-N 2.89Å; V42-H44 VanDerWaalsContact C-N 3.32Å; V42-H44 PolarHBondContact O-N 3.2Å; H44-R48 VanDerWaalsContact O-CB 3.22Å; H44-R48 WeakPolarHBondContact O-CB 3.21Å; H44-R48 PolarHBondContact O-N 3.45Å |
| 45 | A | 83.9 | Confident | 81.8 | Confident | 57 Ų | 57 | 102.8 Ų | 102.8 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.4 | -43.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H41 V42 V43 R48 L49 | H41-A45 VanDerWaalsContact O-CB 3.24Å; H41-A45 WeakPolarHBondContact O-CB 3.36Å; H41-A45 PolarHBondContact O-N 2.74Å; V42-A45 PolarHBondContact O-N 2.83Å; V43-A45 VanDerWaalsContact C-N 3.35Å; V43-A45 PolarHBondContact O-N 2.82Å; A45-R48 PolarHBondContact O-N 3.24Å; A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 3.25Å |
| 46 | Y | 84.7 | Confident | 80 | Confident | 73 Ų | 73 | 103.4 Ų | 103.4 | 29% | 0.286 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 177 | -173.1 | -96 | 0 | 0 | 0 | 111.3 | H22 M23 L26 V42 V43 R48 L49 V50 | H22-Y46 PolarHBondContact ND1-OH 3.09Å; M23-Y46 HydrophobicContact CB-CD1 4.4Å; M23-Y46 HydrophobicContact CB-CE1 4.15Å; M23-Y46 HydrophobicContact CG-CD1 4.26Å; M23-Y46 HydrophobicContact CG-CE1 4.5Å; M23-Y46 HydrophobicContact SD-CD1 4.22Å; L26-Y46 HydrophobicContact CD1-CE2 4.11Å; V42-Y46 WeakPolarHBondContact O-CB 3.45Å; V42-Y46 PolarHBondContact O-N 3.35Å; V43-Y46 PolarHBondContact O-N 3.37Å; Y46-R48 VanDerWaalsContact C-N 3.32Å; Y46-R48 PolarHBondContact O-N 2.91Å; Y46-L49 CarbonylContact O-C 3.59Å; Y46-L49 WeakPolarHBondContact O-CB 3.3Å; Y46-L49 PolarHBondContact O-N 3.2Å; Y46-V50 HydrophobicContact CD1-CG2 3.92Å; Y46-V50 HydrophobicContact CE1-CG2 3.57Å; Y46-V50 WeakPolarHBondContact O-CG2 3.34Å; Y46-V50 PolarHBondContact O-N 3.44Å |
| 47 | L | 82.2 | Confident | 78.2 | Confident | 66 Ų | 66 | 104.4 Ų | 104.4 | 35% | 0.346 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 174.3 | -74.2 | 171.2 | 0 | 0 | 0 | 111.1 | M23 V43 L49 V50 F51 | M23-L47 HydrophobicContact SD-CG 4.45Å; V43-L47 HydrophobicContact CG1-CD1 4.03Å; V43-L47 WeakPolarHBondContact O-CB 3.18Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 2.88Å; L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 3.34Å; L47-V50 PolarHBondContact O-N 3.31Å; L47-F51 HydrophobicContact CB-CD2 4.48Å; L47-F51 WeakPolarHBondContact O-CB 3.17Å; L47-F51 WeakPolarHBondContact O-CD2 3.21Å; L47-F51 PolarHBondContact O-N 2.94Å |
| 48 | R | 82.9 | Confident | 76.4 | Confident | 182 Ų | 182 | 106.7 Ų | 106.7 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.5 | -40.2 | 175.7 | -166.9 | 174.6 | -171.3 | 173.1 | 1.4 | 111.4 | H44 A45 Y46 T52 | H44-R48 VanDerWaalsContact O-CB 3.22Å; H44-R48 WeakPolarHBondContact O-CB 3.21Å; H44-R48 PolarHBondContact O-N 3.45Å; A45-R48 PolarHBondContact O-N 3.24Å; Y46-R48 VanDerWaalsContact C-N 3.32Å; Y46-R48 PolarHBondContact O-N 2.91Å; R48-T52 WeakPolarHBondContact O-CB 3.39Å; R48-T52 WeakPolarHBondContact O-CG2 3.5Å; R48-T52 PolarHBondContact O-N 2.86Å; R48-T52 PolarHBondContact O-OG1 2.82Å |
| 49 | L | 82 | Confident | 74.8 | Confident | 103 Ų | 103 | 113 Ų | 113 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.7 | -44.8 | 179.3 | -147.9 | 141.5 | 0 | 0 | 0 | 111.2 | A45 Y46 L47 T52 R53 | A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 3.25Å; Y46-L49 CarbonylContact O-C 3.59Å; Y46-L49 WeakPolarHBondContact O-CB 3.3Å; Y46-L49 PolarHBondContact O-N 3.2Å; L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 3.34Å; L49-T52 WeakPolarHBondContact CA-OG1 3.29Å; L49-T52 PolarHBondContact O-N 2.92Å; L49-T52 PolarHBondContact O-OG1 3.17Å; L49-R53 VanDerWaalsContact O-CB 3.27Å; L49-R53 WeakPolarHBondContact O-CB 3.45Å; L49-R53 PolarHBondContact O-N 3.27Å |
| 50 | V | 80 | Confident | 73.2 | Confident | 34 Ų | 34 | 115 Ų | 115 | 21% | 0.206 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -62.5 | -49.1 | 174.5 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | A19 Y46 L47 T52 R53 C54 | A19-V50 HydrophobicContact CB-CG1 4.46Å; Y46-V50 HydrophobicContact CD1-CG2 3.92Å; Y46-V50 HydrophobicContact CE1-CG2 3.57Å; Y46-V50 WeakPolarHBondContact O-CG2 3.34Å; Y46-V50 PolarHBondContact O-N 3.44Å; L47-V50 PolarHBondContact O-N 3.31Å; V50-T52 VanDerWaalsContact C-N 3.34Å; V50-T52 PolarHBondContact O-N 3.45Å; V50-R53 PolarHBondContact O-N 3.17Å; V50-C54 WeakPolarHBondContact O-CB 3.14Å; V50-C54 PolarHBondContact O-N 2.82Å; V50-C54 PolarHBondContact O-SG 2.91Å; V50-C54 VanDerWaalsContact O-SG 3.34Å |
| 51 | F | 79.9 | Confident | 71.4 | Confident | 107 Ų | 107 | 116.6 Ų | 116.6 | 47% | 0.469 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.4 | -42.2 | 176.1 | -86.7 | -71.5 | 0 | 0 | 0 | 111.9 | L16 L47 R53 L55 | L16-F51 HydrophobicContact CD2-CZ 4.31Å; L47-F51 HydrophobicContact CB-CD2 4.48Å; L47-F51 WeakPolarHBondContact O-CB 3.17Å; L47-F51 WeakPolarHBondContact O-CD2 3.21Å; L47-F51 PolarHBondContact O-N 2.94Å; F51-R53 VanDerWaalsContact C-N 3.31Å; F51-R53 PolarHBondContact O-N 3.35Å; F51-L55 HydrophobicContact CD1-CD1 4.31Å; F51-L55 VanDerWaalsContact O-CB 3.22Å; F51-L55 WeakPolarHBondContact O-CB 3.27Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.49Å |
| 52 | T | 77 | Confident | 69.8 | Low | 68 Ų | 68 | 112.7 Ų | 112.7 | 42% | 0.417 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.1 | -31.3 | 174.9 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | R48 L49 V50 C56 | R48-T52 WeakPolarHBondContact O-CB 3.39Å; R48-T52 WeakPolarHBondContact O-CG2 3.5Å; R48-T52 PolarHBondContact O-N 2.86Å; R48-T52 PolarHBondContact O-OG1 2.82Å; L49-T52 WeakPolarHBondContact CA-OG1 3.29Å; L49-T52 PolarHBondContact O-N 2.92Å; L49-T52 PolarHBondContact O-OG1 3.17Å; V50-T52 VanDerWaalsContact C-N 3.34Å; V50-T52 PolarHBondContact O-N 3.45Å; T52-C56 VanDerWaalsContact O-CA 3.28Å; T52-C56 WeakPolarHBondContact O-CA 3.34Å; T52-C56 WeakPolarHBondContact O-CB 3.43Å; T52-C56 PolarHBondContact O-N 3.09Å; T52-C56 PolarHBondContact O-SG 3.32Å |
| 53 | R | 71.7 | Confident | 67.9 | Low | 199 Ų | 199 | 112.7 Ų | 112.7 | 75% | 0.751 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -81.7 | -31.4 | -179.6 | -151.5 | 172.2 | -175.4 | 169.4 | -0.9 | 112.2 | L49 V50 F51 | L49-R53 VanDerWaalsContact O-CB 3.27Å; L49-R53 WeakPolarHBondContact O-CB 3.45Å; L49-R53 PolarHBondContact O-N 3.27Å; V50-R53 PolarHBondContact O-N 3.17Å; F51-R53 VanDerWaalsContact C-N 3.31Å; F51-R53 PolarHBondContact O-N 3.35Å |
| 54 | C | 68.4 | Low | 66.2 | Low | 87 Ų | 87 | 119.3 Ų | 119.3 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.6 | -32.2 | 173.6 | -69 | 0 | 0 | 0 | 0 | 112.3 | V50 | V50-C54 WeakPolarHBondContact O-CB 3.14Å; V50-C54 PolarHBondContact O-N 2.82Å; V50-C54 PolarHBondContact O-SG 2.91Å; V50-C54 VanDerWaalsContact O-SG 3.34Å |
| 55 | L | 65.2 | Low | 64.5 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -98.8 | -15.1 | 179.8 | -62.7 | 171.4 | 0 | 0 | 0 | 113.9 | F51 | F51-L55 HydrophobicContact CD1-CD1 4.31Å; F51-L55 VanDerWaalsContact O-CB 3.22Å; F51-L55 WeakPolarHBondContact O-CB 3.27Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.49Å |
| 56 | C | 55.4 | Low | 62.8 | Low | 76 Ų | 76 | 121.6 Ų | 121.6 | 51% | 0.514 | 66% | 0.657 | S | S | . | * | trans | -125.7 | 112.3 | 179.2 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | T52 | T52-C56 VanDerWaalsContact O-CA 3.28Å; T52-C56 WeakPolarHBondContact O-CA 3.34Å; T52-C56 WeakPolarHBondContact O-CB 3.43Å; T52-C56 PolarHBondContact O-N 3.09Å; T52-C56 PolarHBondContact O-SG 3.32Å | ||
| 57 | R | 52.3 | Low | 60.8 | Low | 206 Ų | 206 | 130.5 Ų | 130.5 | 78% | 0.777 | 69% | 0.69 | S | S | * | * | trans | -54.2 | 140 | 159.7 | -109.1 | 178.1 | 171.4 | 172.4 | -1.3 | 109.3 | R59 | R57-R59 PolarHBondContact O-N 3Š| ||
| 58 | P | 48.9 | Very low | 59.1 | Low | 130 Ų | 130 | 131.1 Ų | 131.1 | 84% | 0.844 | 71% | 0.712 | S | S | * | * | trans | -68.6 | 114.2 | -169.4 | 26.7 | -32.5 | 0 | 0 | 0 | 111.7 | ||||
| 59 | R | 51.7 | Low | 57.3 | Low | 179 Ų | 179 | 134.9 Ų | 134.9 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 119.3 | 166.5 | -89.2 | -175.3 | 164.6 | 150.7 | 0.2 | 109.8 | R57 Q516 | R57-R59 PolarHBondContact O-N 3Å; R59-Q516 VanDerWaalsContact NH2-CG 3.3Å |
| 60 | G | 52.4 | Low | 55.7 | Low | 81 Ų | 81 | 133.2 Ų | 133.2 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 140.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 61 | R | 46.9 | Very low | 53.7 | Low | 261 Ų | 261 | 137.2 Ų | 137.2 | 99% | 0.985 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 132.9 | -179.6 | -83.4 | -175.9 | 175.1 | -143.2 | 1 | 112 | ||
| 62 | G | 49 | Very low | 52.1 | Low | 84 Ų | 84 | 139.4 Ų | 139.4 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | 154.3 | 131.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 63 | G | 45 | Very low | 50.7 | Low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | cis | 163.4 | 133 | 1.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 64 | L | 47.9 | Very low | 49.4 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | 72.1 | 95.3 | 158.9 | -62.7 | 164.3 | 0 | 0 | 0 | 121.2 | ||||
| 65 | A | 46.3 | Very low | 48.3 | Very low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | 30.9 | 122.4 | 127.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 66 | T | 49.8 | Very low | 47.5 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | -155.7 | 140.3 | 117.9 | 45 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 67 | R | 42.6 | Very low | 46.8 | Very low | 260 Ų | 260 | 153.6 Ų | 153.6 | 98% | 0.981 | 83% | 0.829 | S | S | * | * | trans | -77.7 | 139.1 | -175.6 | -72.5 | 171.7 | 166.2 | 174.5 | -4.1 | 112.5 | ||||
| 68 | G | 46.1 | Very low | 47 | Very low | 80 Ų | 80 | 155 Ų | 155 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -157.3 | 99.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 69 | R | 45.5 | Very low | 47.1 | Very low | 260 Ų | 260 | 154.7 Ų | 154.7 | 98% | 0.981 | 83% | 0.832 | S | S | * | * | trans | -82.7 | 126.8 | 174.2 | -74.5 | -175.5 | -178.5 | -141.1 | -0.8 | 109.7 | ||||
| 70 | G | 47.7 | Very low | 47.5 | Very low | 68 Ų | 68 | 153 Ų | 153 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | trans | -134.8 | 131.9 | 163 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 71 | P | 38.9 | Very low | 48 | Very low | 119 Ų | 119 | 156.7 Ų | 156.7 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | trans | -82.8 | 155.7 | 172.1 | 35 | -29.9 | 0 | 0 | 0 | 109.5 | ||||
| 72 | L | 46.3 | Very low | 49 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | trans | 167.9 | 119.3 | 136.2 | -85.7 | 160.8 | 0 | 0 | 0 | 113.4 | ||||
| 73 | N | 47.6 | Very low | 49.6 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 72% | 0.717 | 82% | 0.824 | S | S | * | * | 68.4 | 106.6 | 128.1 | -70.8 | 2.8 | 0 | 0 | 0 | 124.3 | |||||
| 74 | S | 43.6 | Very low | 50.3 | Low | 95 Ų | 95 | 154.5 Ų | 154.5 | 66% | 0.664 | 83% | 0.829 | S | S | * | * | 49.9 | 107.4 | 117.4 | 69.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 75 | F | 44.7 | Very low | 50.9 | Low | 202 Ų | 202 | 154.7 Ų | 154.7 | 89% | 0.886 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 137.2 | 165.4 | -86.4 | -89 | 0 | 0 | 0 | 113.2 | ||
| 76 | H | 48.8 | Very low | 50.8 | Low | 182 Ų | 182 | 159.7 Ų | 159.7 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74 | 133.4 | 172.9 | -78 | 10.4 | 0 | 0 | 0 | 112.2 | ||
| 77 | R | 41.9 | Very low | 51.3 | Low | 244 Ų | 244 | 156.8 Ų | 156.8 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 132.4 | 163.4 | -72.5 | -172 | 179 | -158.2 | -0.3 | 109.8 | ||
| 78 | R | 55.6 | Low | 51.5 | Low | 235 Ų | 235 | 153.3 Ų | 153.3 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 146.9 | 171.6 | -71.5 | -175.7 | 176.1 | -148.3 | 1 | 111.1 | ||
| 79 | P | 50.3 | Low | 52.1 | Low | 123 Ų | 123 | 160.5 Ų | 160.5 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 145.8 | 176.3 | 31.5 | -32.2 | 0 | 0 | 0 | 111.8 | ||
| 80 | V | 60.7 | Low | 52.9 | Low | 144 Ų | 144 | 151.3 Ų | 151.3 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 130.8 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 81 | L | 63.1 | Low | 53.2 | Low | 159 Ų | 159 | 154.5 Ų | 154.5 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 143 | 172.3 | -82.6 | 156.4 | 0 | 0 | 0 | 110.6 | ||
| 82 | P | 67.7 | Low | 54.1 | Low | 101 Ų | 101 | 157.6 Ų | 157.6 | 66% | 0.656 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 160.3 | 173.6 | 31.6 | -33.5 | 0 | 0 | 0 | 111.9 | ||
| 83 | P | 60.7 | Low | 54.6 | Low | 128 Ų | 128 | 159.1 Ų | 159.1 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 135.1 | -177.6 | 30 | -33.4 | 0 | 0 | 0 | 110.9 | ||
| 84 | V | 61.2 | Low | 54.6 | Low | 142 Ų | 142 | 162.1 Ų | 162.1 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 120.3 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 85 | E | 59.6 | Low | 55.4 | Low | 182 Ų | 182 | 163.2 Ų | 163.2 | 85% | 0.85 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 140.5 | 172.2 | -70.4 | 177.7 | 158.1 | 0 | 0 | 111.2 | A87 | E85-A87 PolarHBondContact O-N 2.91Š|
| 86 | E | 45.5 | Very low | 55.9 | Low | 196 Ų | 196 | 158.9 Ų | 158.9 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62 | 120.7 | -178.9 | -65.8 | 171.6 | 151.5 | 0 | 0 | 111.9 | ||
| 87 | A | 58.9 | Low | 55.8 | Low | 87 Ų | 87 | 157.9 Ų | 157.9 | 72% | 0.719 | 84% | 0.837 | S | S | * | * | trans | -121 | 110.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | E85 | E85-A87 PolarHBondContact O-N 2.91Š| ||
| 88 | H | 47.7 | Very low | 56.3 | Low | 186 Ų | 186 | 153.5 Ų | 153.5 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -57 | 126.6 | 169.2 | -74 | -32.8 | 0 | 0 | 0 | 112.4 | ||||
| 89 | Y | 58.8 | Low | 56 | Low | 231 Ų | 231 | 155 Ų | 155 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | trans | -140.2 | 131.2 | 155.7 | -91.9 | -83.7 | 0 | 0 | 0 | 110.5 | ||||
| 90 | G | 60.8 | Low | 55.7 | Low | 67 Ų | 67 | 153.6 Ų | 153.6 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | trans | -79.1 | -176.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 91 | P | 53.9 | Low | 55.4 | Low | 136 Ų | 136 | 155.5 Ų | 155.5 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -87 | 137 | -161.4 | 34.4 | -31.9 | 0 | 0 | 0 | 111.6 | ||||
| 92 | M | 59.7 | Low | 54.8 | Low | 183 Ų | 183 | 155.8 Ų | 155.8 | 90% | 0.901 | 84% | 0.838 | S | S | * | * | trans | -142.1 | 101.4 | 167.6 | -143.9 | 172.8 | -175.4 | 0 | 0 | 111.4 | ||||
| 93 | E | 55.1 | Low | 53.8 | Low | 185 Ų | 185 | 162.9 Ų | 162.9 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | trans | 16.9 | 127.4 | 149.4 | -59.2 | 179.2 | 169 | 0 | 0 | 120.9 | ||||
| 94 | Q | 48.2 | Very low | 53.3 | Low | 197 Ų | 197 | 168.1 Ų | 168.1 | 92% | 0.921 | 86% | 0.855 | S | S | * | * | trans | -74 | 154 | 167.7 | -68 | -178.5 | -32.2 | 0 | 0 | 112.5 | ||||
| 95 | P | 60.9 | Low | 52.8 | Low | 118 Ų | 118 | 168.7 Ų | 168.7 | 77% | 0.766 | 85% | 0.853 | S | S | * | * | trans | -124.7 | 127.9 | 143 | 31.4 | -17.4 | 0 | 0 | 0 | 113.5 | ||||
| 96 | S | 54.9 | Low | 52.4 | Low | 110 Ų | 110 | 172 Ų | 172 | 77% | 0.769 | 86% | 0.858 | S | S | * | * | trans | 7.6 | 131.6 | 152.3 | 58.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 97 | N | 47.4 | Very low | 52.8 | Low | 161 Ų | 161 | 171.6 Ų | 171.6 | 86% | 0.861 | 86% | 0.856 | S | S | * | * | trans | -45.4 | 136.5 | 157.6 | -70.6 | -35.4 | 0 | 0 | 0 | 114.4 | ||||
| 98 | D | 51 | Low | 52.5 | Low | 152 Ų | 152 | 172.9 Ų | 172.9 | 81% | 0.813 | 86% | 0.856 | S | S | * | * | trans | -169.2 | 57.5 | 161 | -110.7 | -7.8 | 0 | 0 | 0 | 114.2 | ||||
| 99 | W | 50.3 | Low | 52.7 | Low | 267 Ų | 267 | 172.9 Ų | 172.9 | 100% | 1.011 | 86% | 0.859 | S | S | * | * | trans | -138 | 34.4 | 177.3 | -88.9 | 73.3 | 0 | 0 | 0 | 115.5 | ||||
| 100 | A | 44.6 | Very low | 52.3 | Low | 93 Ų | 93 | 166.3 Ų | 166.3 | 77% | 0.769 | 85% | 0.847 | S | S | * | * | trans | -86.7 | 149.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 101 | E | 52.8 | Low | 51.6 | Low | 184 Ų | 184 | 169.2 Ų | 169.2 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | trans | 84.9 | 70.6 | 172.7 | -52 | -173 | 157.6 | 0 | 0 | 118.3 | ||||
| 102 | N | 51.7 | Low | 51.2 | Low | 166 Ų | 166 | 174.6 Ų | 174.6 | 89% | 0.888 | 85% | 0.854 | S | S | * | * | trans | -166.2 | 57.2 | 146.7 | -113.8 | -23.6 | 0 | 0 | 0 | 115.9 | ||||
| 103 | R | 47.1 | Very low | 50.5 | Low | 249 Ų | 249 | 170.9 Ų | 170.9 | 94% | 0.94 | 85% | 0.852 | S | S | * | * | trans | -144.5 | 70.1 | 164.4 | -70.1 | -165.3 | -172.7 | 178.6 | 5.8 | 112.6 | ||||
| 104 | R | 48.7 | Very low | 50.2 | Low | 238 Ų | 238 | 165.4 Ų | 165.4 | 90% | 0.898 | 85% | 0.846 | S | S | * | * | trans | -121.6 | 143.7 | 154.1 | -69 | -172.5 | -164.2 | -162.6 | 5.7 | 108.2 | ||||
| 105 | N | 51.2 | Low | 50.1 | Low | 155 Ų | 155 | 166 Ų | 166 | 83% | 0.829 | 85% | 0.845 | S | S | * | * | trans | 81 | 95.3 | 179.8 | -61.3 | -17.5 | 0 | 0 | 0 | 116.8 | ||||
| 106 | R | 51.7 | Low | 50 | Low | 252 Ų | 252 | 171.7 Ų | 171.7 | 95% | 0.951 | 85% | 0.852 | S | S | * | * | -167.3 | 112.2 | 124.6 | -101.6 | 166.6 | -152.8 | -158.2 | 7 | 110.8 | |||||
| 107 | H | 54.5 | Low | 49.7 | Very low | 187 Ų | 187 | 172.5 Ų | 172.5 | 87% | 0.866 | 85% | 0.854 | S | S | * | * | trans | -64.1 | 157.5 | 169.9 | -87.4 | -71.3 | 0 | 0 | 0 | 112.6 | ||||
| 108 | P | 51.8 | Low | 49.8 | Very low | 113 Ų | 113 | 176.9 Ų | 176.9 | 73% | 0.734 | 86% | 0.859 | S | S | * | * | trans | -92.5 | 141.4 | -173.9 | 36.1 | -30.7 | 0 | 0 | 0 | 112.2 | ||||
| 109 | M | 52.3 | Low | 49.7 | Very low | 187 Ų | 187 | 174.6 Ų | 174.6 | 92% | 0.921 | 86% | 0.855 | S | S | * | * | trans | -129 | 102.6 | 166.3 | -88.3 | -89.9 | 163.1 | 0 | 0 | 108.9 | ||||
| 110 | S | 49.3 | Very low | 49.3 | Very low | 93 Ų | 93 | 166.8 Ų | 166.8 | 65% | 0.65 | 84% | 0.841 | S | S | * | * | trans | 28.4 | 131.7 | 133.6 | -173.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 111 | T | 45.7 | Very low | 49.5 | Very low | 128 Ų | 128 | 174.2 Ų | 174.2 | 79% | 0.785 | 85% | 0.849 | S | S | * | * | trans | 67.3 | 112.7 | 148.8 | 49.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 112 | R | 45.9 | Very low | 49.3 | Very low | 248 Ų | 248 | 172.1 Ų | 172.1 | 94% | 0.936 | 84% | 0.844 | S | S | * | * | 161.9 | 134.7 | 103 | -169.8 | 167.3 | -176.3 | 175.5 | -0.4 | 110.3 | |||||
| 113 | A | 45.8 | Very low | 49.1 | Very low | 105 Ų | 105 | 170.7 Ų | 170.7 | 87% | 0.868 | 84% | 0.841 | S | S | * | * | trans | -48.2 | 141.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 114 | G | 48.8 | Very low | 49.1 | Very low | 70 Ų | 70 | 170.7 Ų | 170.7 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | trans | -173.4 | 99 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 115 | F | 46.2 | Very low | 48.9 | Very low | 209 Ų | 209 | 170.9 Ų | 170.9 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -29 | 133.8 | 163.3 | -96.8 | -115.1 | 0 | 0 | 0 | 114.3 | ||||
| 116 | R | 57.6 | Low | 48.7 | Very low | 239 Ų | 239 | 171.3 Ų | 171.3 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | trans | -126.9 | 128.1 | 158.1 | -74.9 | -166.6 | 176 | -145 | 0.5 | 110.4 | ||||
| 117 | P | 49.6 | Very low | 49.1 | Very low | 126 Ų | 126 | 168.5 Ų | 168.5 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 143.1 | 175.2 | 33.3 | -30.4 | 0 | 0 | 0 | 110.7 | ||
| 118 | R | 48.8 | Very low | 48.8 | Very low | 253 Ų | 253 | 169.1 Ų | 169.1 | 96% | 0.955 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 127.4 | 171.1 | -94.2 | -178.4 | 167.9 | -144.7 | -1 | 110.1 | ||
| 119 | S | 48.8 | Very low | 49.2 | Very low | 105 Ų | 105 | 169.3 Ų | 169.3 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 138.9 | 174.2 | 42.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 120 | S | 43.4 | Very low | 49.4 | Very low | 102 Ų | 102 | 169.2 Ų | 169.2 | 71% | 0.713 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 132.4 | 170.8 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 121 | W | 47.7 | Very low | 50 | Low | 249 Ų | 249 | 174.8 Ų | 174.8 | 94% | 0.943 | 84% | 0.837 | S | S | * | * | trans | -107 | 131.6 | 159.2 | -90 | 73.4 | 0 | 0 | 0 | 110.1 | ||||
| 122 | N | 49.4 | Very low | 51 | Low | 140 Ų | 140 | 173.8 Ų | 173.8 | 75% | 0.749 | 83% | 0.833 | S | S | * | * | trans | -72.8 | 143.6 | -165.4 | -79.5 | -41.6 | 0 | 0 | 0 | 113.9 | ||||
| 123 | T | 46.4 | Very low | 51.9 | Low | 137 Ų | 137 | 167.5 Ų | 167.5 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | -34.9 | 125.7 | 153.1 | 43.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 124 | R | 48.2 | Very low | 53.1 | Low | 248 Ų | 248 | 168.9 Ų | 168.9 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | trans | -127 | 93.4 | 156.6 | -162.6 | 174.3 | -168.1 | -179.3 | 2.3 | 110 | ||||
| 125 | R | 44.5 | Very low | 53.4 | Low | 243 Ų | 243 | 174 Ų | 174 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | 21.9 | 120.1 | 147.4 | -110.8 | 175.6 | -168 | -150.1 | 2.2 | 119.3 | ||||
| 126 | E | 46.4 | Very low | 53.5 | Low | 163 Ų | 163 | 167.7 Ų | 167.7 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -65.1 | 135.3 | 160.4 | -61.3 | 167.4 | 148.6 | 0 | 0 | 111.5 | Y128 | E126-Y128 HydrophobicContact CB-CD2 4.46Š| ||
| 127 | E | 60.1 | Low | 52.9 | Low | 193 Ų | 193 | 166.4 Ų | 166.4 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -122 | 110.2 | 153 | -95.9 | 179.9 | 176.6 | 0 | 0 | 107.3 | ||||
| 128 | Y | 48.1 | Very low | 52.9 | Low | 201 Ų | 201 | 172 Ų | 172 | 79% | 0.788 | 83% | 0.834 | S | S | * | * | trans | -77.8 | 126.2 | 171.5 | -94.7 | -102.1 | 0 | 0 | 0 | 109 | E126 | E126-Y128 HydrophobicContact CB-CD2 4.46Š| ||
| 129 | V | 60.4 | Low | 52.9 | Low | 116 Ų | 116 | 171.6 Ų | 171.6 | 70% | 0.703 | 83% | 0.833 | S | S | * | * | trans | -112.6 | 107.1 | 160.9 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | Y131 | V129-Y131 HydrophobicContact CG1-CD2 4.01Å; V129-Y131 HydrophobicContact CG1-CE2 3.63Å | ||
| 130 | E | 56.5 | Low | 52.8 | Low | 186 Ų | 186 | 173.2 Ų | 173.2 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | trans | -65.3 | 127.6 | 173.1 | -123.6 | 172.3 | 170.3 | 0 | 0 | 110.3 | ||||
| 131 | Y | 61.7 | Low | 53.4 | Low | 209 Ų | 209 | 177.7 Ų | 177.7 | 82% | 0.82 | 84% | 0.842 | S | S | * | * | trans | -125.3 | 140.3 | 162.2 | -85.4 | -82.2 | 0 | 0 | 0 | 110.2 | V129 | V129-Y131 HydrophobicContact CG1-CD2 4.01Å; V129-Y131 HydrophobicContact CG1-CE2 3.63Å | ||
| 132 | P | 67 | Low | 53.4 | Low | 108 Ų | 108 | 173.7 Ų | 173.7 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 156.4 | -165.2 | 33.5 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 133 | P | 64.6 | Low | 53.7 | Low | 116 Ų | 116 | 173.5 Ų | 173.5 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 144.3 | 178.9 | 31.5 | -33.2 | 0 | 0 | 0 | 111.8 | L135 | P133-L135 PolarHBondContact O-N 3.25Š|
| 134 | P | 71 | Confident | 53.9 | Low | 133 Ų | 133 | 176.1 Ų | 176.1 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 122.5 | 176.8 | 28.5 | -30.7 | 0 | 0 | 0 | 111.5 | ||
| 135 | L | 54.1 | Low | 54.5 | Low | 178 Ų | 178 | 175.3 Ų | 175.3 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 135.6 | 167.5 | -69.4 | 164.2 | 0 | 0 | 0 | 110.4 | P133 | P133-L135 PolarHBondContact O-N 3.25Š|
| 136 | G | 50 | Low | 55.7 | Low | 77 Ų | 77 | 169.8 Ų | 169.8 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | 170.9 | 54.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R138 | G136-R138 PolarHBondContact O-N 3.46Š| ||
| 137 | K | 45.1 | Very low | 56.5 | Low | 212 Ų | 212 | 173.2 Ų | 173.2 | 92% | 0.922 | 84% | 0.841 | S | S | * | * | trans | -72.8 | 117.3 | 163.7 | -67.3 | 179.5 | 179.7 | 179.4 | 0 | 109 | ||||
| 138 | R | 48 | Very low | 57 | Low | 244 Ų | 244 | 166.8 Ų | 166.8 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -133.9 | 110.2 | 156.8 | -83.1 | -170.7 | 175.4 | -176 | -0.6 | 110.1 | G136 | G136-R138 PolarHBondContact O-N 3.46Š| ||
| 139 | R | 50.2 | Low | 58.4 | Low | 244 Ų | 244 | 163.6 Ų | 163.6 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | 17.1 | 111.3 | 139.2 | -105.7 | 168.3 | 170.2 | 157.6 | -2.7 | 115.1 | ||||
| 140 | L | 46.7 | Very low | 59.3 | Low | 139 Ų | 139 | 162.2 Ų | 162.2 | 73% | 0.728 | 83% | 0.831 | S | S | * | * | 63.4 | 88.7 | 67.9 | -151.3 | 143.6 | 0 | 0 | 0 | 111.9 | |||||
| 141 | E | 55.2 | Low | 60.3 | Low | 195 Ų | 195 | 158.7 Ų | 158.7 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -137.2 | 131 | 147.8 | -79.8 | -172.1 | 174.7 | 0 | 0 | 108.7 | ||||
| 142 | E | 48 | Very low | 61.2 | Low | 165 Ų | 165 | 152.9 Ų | 152.9 | 77% | 0.771 | 81% | 0.812 | S | S | * | * | trans | -77.2 | 129.9 | -170 | -65.3 | 147.9 | 163.8 | 0 | 0 | 110.2 | ||||
| 143 | T | 56.4 | Low | 61.7 | Low | 136 Ų | 136 | 150.1 Ų | 150.1 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -137.3 | 103.3 | 154.2 | 35.3 | 0 | 0 | 0 | 0 | 108.8 | R145 | T143-R145 PolarHBondContact O-N 3.06Š| ||
| 144 | E | 48.9 | Very low | 62.1 | Low | 193 Ų | 193 | 150 Ų | 150 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -52.3 | 122.2 | 175.6 | -58.8 | 175.2 | 153.1 | 0 | 0 | 110.6 | ||||
| 145 | R | 61.8 | Low | 62.2 | Low | 230 Ų | 230 | 151.7 Ų | 151.7 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -111.7 | 130.6 | 158.5 | -80.6 | -171.5 | 179.3 | -177.8 | 2.4 | 108.5 | T143 Y147 | T143-R145 PolarHBondContact O-N 3.06Å; R145-Y147 PolarHBondContact O-N 3.05Å | ||
| 146 | P | 69.7 | Low | 62.9 | Low | 128 Ų | 128 | 148.9 Ų | 148.9 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.9 | -174.4 | 26.1 | -31.8 | 0 | 0 | 0 | 110.6 | G148 | P146-G148 PolarHBondContact O-N 3.23Š|
| 147 | Y | 63.6 | Low | 63.4 | Low | 235 Ų | 235 | 154.6 Ų | 154.6 | 92% | 0.922 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 122.2 | 174.8 | -81.8 | -97.2 | 0 | 0 | 0 | 110.5 | R145 | R145-Y147 PolarHBondContact O-N 3.05Š|
| 148 | G | 69.4 | Low | 64 | Low | 58 Ų | 58 | 152.2 Ų | 152.2 | 60% | 0.598 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 150.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P146 A150 | P146-G148 PolarHBondContact O-N 3.23Å; G148-A150 PolarHBondContact O-N 2.82Å |
| 149 | P | 78.2 | Confident | 64.3 | Low | 133 Ų | 133 | 150.9 Ų | 150.9 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.6 | -177.1 | 23.8 | -32.9 | 0 | 0 | 0 | 111 | ||
| 150 | A | 78.5 | Confident | 64.6 | Low | 88 Ų | 88 | 148.9 Ų | 148.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 139 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G148 | G148-A150 PolarHBondContact O-N 2.82Š|
| 151 | P | 78.3 | Confident | 64.9 | Low | 112 Ų | 112 | 154.1 Ų | 154.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 139.5 | 170.9 | 25.5 | -32 | 0 | 0 | 0 | 109.4 | ||
| 152 | P | 81.6 | Confident | 64.5 | Low | 86 Ų | 86 | 153.4 Ų | 153.4 | 56% | 0.558 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 143.2 | -178.3 | 23 | -32.3 | 0 | 0 | 0 | 111.5 | ||
| 153 | S | 75.6 | Confident | 64.5 | Low | 50 Ų | 50 | 151.8 Ų | 151.8 | 35% | 0.35 | 78% | 0.777 | S | S | . | * | P | Polyproline II helix | trans | -48.2 | 143.4 | 174.4 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | E155 D156 | S153-E155 PolarHBondContact O-N 3.19Å; S153-E155 VanDerWaalsContact O-N 3.07Å; S153-E155 PolarHBondContact OG-N 3.24Å; S153-D156 PolarHBondContact O-N 3.45Å; S153-D156 VanDerWaalsContact O-N 3.08Å |
| 154 | P | 74.5 | Confident | 64 | Low | 113 Ų | 113 | 150.4 Ų | 150.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -54.3 | -25.8 | 174.6 | -22.8 | 32.2 | 0 | 0 | 0 | 113.9 | ||
| 155 | E | 73.2 | Confident | 63.6 | Low | 169 Ų | 169 | 153.7 Ų | 153.7 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -76 | -22.3 | -179 | -68.7 | 175.7 | 163.8 | 0 | 0 | 113 | S153 R157 | S153-E155 PolarHBondContact O-N 3.19Å; S153-E155 VanDerWaalsContact O-N 3.07Å; S153-E155 PolarHBondContact OG-N 3.24Å; E155-R157 VanDerWaalsContact C-N 3.33Å; E155-R157 PolarHBondContact O-N 3.08Å |
| 156 | D | 68.7 | Low | 63.3 | Low | 119 Ų | 119 | 151.5 Ų | 151.5 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -83.4 | -5.6 | 179.1 | -68.8 | -36.6 | 0 | 0 | 0 | 113.6 | S153 H158 | S153-D156 PolarHBondContact O-N 3.45Å; S153-D156 VanDerWaalsContact O-N 3.08Å; D156-H158 PolarHBondContact O-N 3.29Å |
| 157 | R | 59.9 | Low | 62.6 | Low | 197 Ų | 197 | 153.7 Ų | 153.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -75 | -4.1 | 179.8 | -71.4 | -173.3 | -175.4 | -177.5 | 1.6 | 114.3 | E155 | E155-R157 VanDerWaalsContact C-N 3.33Å; E155-R157 PolarHBondContact O-N 3.08Å |
| 158 | H | 58.6 | Low | 62.2 | Low | 163 Ų | 163 | 149.1 Ų | 149.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -98.3 | 1.2 | -169.2 | -115.6 | -65.9 | 0 | 0 | 0 | 117 | D156 | D156-H158 PolarHBondContact O-N 3.29Š|
| 159 | Y | 53.9 | Low | 61.9 | Low | 216 Ų | 216 | 151.5 Ų | 151.5 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -138.5 | 73.5 | -177.4 | -83.9 | -86.2 | 0 | 0 | 0 | 113.7 | ||
| 160 | Q | 56.1 | Low | 60.9 | Low | 201 Ų | 201 | 154.2 Ų | 154.2 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -150.1 | 11.1 | 160.1 | -85.3 | -156.6 | -10.9 | 0 | 0 | 115.4 | ||
| 161 | R | 53.3 | Low | 60 | Low | 249 Ų | 249 | 154.4 Ų | 154.4 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -98.6 | 7.7 | -175 | -143.3 | 177.8 | -168.1 | -115.6 | 0.3 | 116.5 | ||
| 162 | E | 46.7 | Very low | 58.8 | Low | 180 Ų | 180 | 156 Ų | 156 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -139.4 | 96.3 | -179.8 | -65.5 | 179.8 | -172.1 | 0 | 0 | 109.4 | ||
| 163 | S | 47.8 | Very low | 57.4 | Low | 131 Ų | 131 | 160.2 Ų | 160.2 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | 160.1 | 70.2 | 156 | -75.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 164 | S | 45.5 | Very low | 56.4 | Low | 108 Ų | 108 | 166.8 Ų | 166.8 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -167.6 | 53.8 | 159.3 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 165 | W | 41.8 | Very low | 55.4 | Low | 262 Ų | 262 | 171.1 Ų | 171.1 | 99% | 0.992 | 82% | 0.821 | S | S | * | * | trans | -134.3 | 79.9 | 160.3 | -70.2 | 97 | 0 | 0 | 0 | 106.1 | ||||
| 166 | K | 54.9 | Low | 54.2 | Low | 183 Ų | 183 | 174.6 Ų | 174.6 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | -128.9 | 111.4 | 166.2 | -110.1 | -178.6 | 176 | -175.6 | 0 | 106.8 | ||||
| 167 | E | 54.3 | Low | 53.5 | Low | 175 Ų | 175 | 177.3 Ų | 177.3 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | 54.7 | 84.7 | 151.7 | -64.5 | 165.4 | -158.5 | 0 | 0 | 115.8 | ||||
| 168 | V | 55.2 | Low | 53.2 | Low | 138 Ų | 138 | 175 Ų | 175 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | -105.7 | 120.5 | 148.8 | -179 | 0 | 0 | 0 | 0 | 107 | ||||
| 169 | P | 63.8 | Low | 52.7 | Low | 109 Ų | 109 | 179 Ų | 179 | 71% | 0.708 | 84% | 0.842 | S | S | * | * | trans | -64.7 | 140.2 | -174.3 | 21.3 | -30 | 0 | 0 | 0 | 113 | A171 | P169-A171 PolarHBondContact O-N 3.5Š| ||
| 170 | E | 57.3 | Low | 52.8 | Low | 190 Ų | 190 | 174.3 Ų | 174.3 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -64.2 | 10.3 | -173.4 | -71.4 | 175.8 | 146 | 0 | 0 | 116.3 | N172 | E170-N172 PolarHBondContact O-N 2.87Š|
| 171 | A | 58.6 | Low | 52.6 | Low | 91 Ų | 91 | 175.1 Ų | 175.1 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 19.7 | -165 | 0 | 0 | 0 | 0 | 0 | 116.6 | P169 | P169-A171 PolarHBondContact O-N 3.5Š|
| 172 | N | 54.5 | Low | 52.6 | Low | 145 Ų | 145 | 171 Ų | 171 | 78% | 0.775 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | 22.4 | -173.6 | -104.8 | -10.5 | 0 | 0 | 0 | 116.7 | E170 | E170-N172 PolarHBondContact O-N 2.87Š|
| 173 | M | 51.6 | Low | 52.8 | Low | 175 Ų | 175 | 174 Ų | 174 | 86% | 0.862 | 84% | 0.836 | S | S | * | * | G | 310 helix | trans | -82.5 | -1.6 | 178.3 | -72.1 | -158.8 | -153.3 | 0 | 0 | 116 | ||
| 174 | E | 55.2 | Low | 53.5 | Low | 189 Ų | 189 | 173.3 Ų | 173.3 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | G | 310 helix | trans | -87.3 | -3.1 | -173.3 | -81.8 | -176.9 | 158.2 | 0 | 0 | 116.5 | ||
| 175 | W | 51.5 | Low | 53.7 | Low | 203 Ų | 203 | 174.3 Ų | 174.3 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | G | 310 helix | trans | -96.8 | 15.4 | -172.5 | -92 | 89.2 | 0 | 0 | 0 | 116.9 | ||
| 176 | R | 49.9 | Very low | 54.5 | Low | 242 Ų | 242 | 168.3 Ų | 168.3 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -113 | 5.4 | -173.3 | -133.1 | 176.6 | -154.7 | -118.8 | 2.1 | 117.4 | ||
| 177 | E | 54.1 | Low | 54.3 | Low | 177 Ų | 177 | 166.3 Ų | 166.3 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -104.6 | -3.5 | -178.5 | -71.1 | -167.3 | 158.5 | 0 | 0 | 116 | ||
| 178 | E | 51.7 | Low | 54.6 | Low | 148 Ų | 148 | 160.6 Ų | 160.6 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | G | 310 helix | trans | -91.9 | -8.4 | -171.5 | -101.8 | 178.7 | 168.4 | 0 | 0 | 117 | S180 | E178-S180 PolarHBondContact O-N 3.49Š|
| 179 | W | 49.8 | Very low | 54.9 | Low | 246 Ų | 246 | 160.2 Ų | 160.2 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -87.6 | 6.7 | -175.7 | -81.9 | 74.8 | 0 | 0 | 0 | 116 | ||
| 180 | S | 55.3 | Low | 54.4 | Low | 118 Ų | 118 | 166.3 Ų | 166.3 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | G | 310 helix | trans | -106.5 | 8.8 | -175.7 | -60.8 | 0 | 0 | 0 | 0 | 115.2 | E178 | E178-S180 PolarHBondContact O-N 3.49Š|
| 181 | R | 52.5 | Low | 54.9 | Low | 219 Ų | 219 | 163.4 Ų | 163.4 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -108.6 | -9.3 | -171 | -80.1 | -174.1 | 175.3 | 149.4 | 2.3 | 118.3 | ||
| 182 | D | 51.8 | Low | 54.9 | Low | 162 Ų | 162 | 170.6 Ų | 170.6 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | -120.9 | 83.2 | -178.3 | -68.3 | -34.8 | 0 | 0 | 0 | 112.9 | ||||
| 183 | R | 51.6 | Low | 54.6 | Low | 242 Ų | 242 | 174.4 Ų | 174.4 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | trans | -127.3 | 116.2 | 156.1 | -117.9 | -173.9 | -168.6 | -150.7 | 3.8 | 109.5 | T185 | R183-T185 PolarHBondContact O-N 3.28Š| ||
| 184 | P | 63.4 | Low | 54.7 | Low | 117 Ų | 117 | 173.4 Ų | 173.4 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -69.8 | 124.2 | -178.4 | 26.1 | -31.5 | 0 | 0 | 0 | 110.9 | V186 | P184-V186 PolarHBondContact O-N 3.45Š| ||
| 185 | T | 50.1 | Low | 54.6 | Low | 130 Ų | 130 | 170.8 Ų | 170.8 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | trans | -71.6 | 103.3 | 167.2 | 34.4 | 0 | 0 | 0 | 0 | 109.6 | R183 T187 | R183-T185 PolarHBondContact O-N 3.28Å; T185-T187 PolarHBondContact O-N 2.86Å | ||
| 186 | V | 57.1 | Low | 55 | Low | 136 Ų | 136 | 170.8 Ų | 170.8 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -91.6 | 89.4 | 168.5 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | P184 G188 | P184-V186 PolarHBondContact O-N 3.45Å; V186-G188 PolarHBondContact O-N 3.25Å | ||
| 187 | T | 51.5 | Low | 55.1 | Low | 140 Ų | 140 | 168.3 Ų | 168.3 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -80.9 | 101.5 | 163.4 | 42.9 | 0 | 0 | 0 | 0 | 109 | T185 | T185-T187 PolarHBondContact O-N 2.86Š| ||
| 188 | G | 59.4 | Low | 54.9 | Low | 55 Ų | 55 | 168 Ų | 168 | 57% | 0.567 | 82% | 0.817 | S | S | * | * | trans | -122.5 | 138.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V186 | V186-G188 PolarHBondContact O-N 3.25Š| ||
| 189 | P | 62.4 | Low | 55.3 | Low | 130 Ų | 130 | 167 Ų | 167 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 133.9 | -171.7 | 29 | -32.5 | 0 | 0 | 0 | 112.2 | ||
| 190 | R | 54.1 | Low | 55.2 | Low | 238 Ų | 238 | 163.1 Ų | 163.1 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 131.3 | 172.7 | -76.9 | -175.5 | 171.1 | -175.4 | -1.3 | 110.7 | ||
| 191 | P | 67.6 | Low | 54.9 | Low | 128 Ų | 128 | 168.9 Ų | 168.9 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 144.3 | 173.8 | -15.5 | 28.5 | 0 | 0 | 0 | 112 | ||
| 192 | R | 57.2 | Low | 54.5 | Low | 243 Ų | 243 | 169.9 Ų | 169.9 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 149.8 | 177 | -75.1 | -179.5 | 170 | -178.1 | -3.3 | 112.2 | ||
| 193 | R | 48.2 | Very low | 54.2 | Low | 224 Ų | 224 | 165.6 Ų | 165.6 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -39.7 | 134.2 | 164.2 | -80.5 | 179 | 171 | 178.6 | -4.7 | 112.2 | ||||
| 194 | M | 54.4 | Low | 53.9 | Low | 155 Ų | 155 | 164.1 Ų | 164.1 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | -107.6 | 119.6 | 150.6 | -101.2 | -163.5 | 175.4 | 0 | 0 | 107.6 | Y196 | M194-Y196 HydrophobicContact CB-CD2 4.45Å; M194-Y196 HydrophobicContact CB-CE2 4.39Å; M194-Y196 HydrophobicContact SD-CE2 3.61Å | ||
| 195 | D | 53.6 | Low | 52.9 | Low | 133 Ų | 133 | 166.9 Ų | 166.9 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -75.7 | 128 | 166.8 | -56.4 | -50.9 | 0 | 0 | 0 | 108.2 | ||||
| 196 | Y | 60 | Low | 52.6 | Low | 204 Ų | 204 | 166 Ų | 166 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -130.1 | 118.2 | 161.7 | -86.1 | -76 | 0 | 0 | 0 | 108.5 | M194 | M194-Y196 HydrophobicContact CB-CD2 4.45Å; M194-Y196 HydrophobicContact CB-CE2 4.39Å; M194-Y196 HydrophobicContact SD-CE2 3.61Å | ||
| 197 | E | 52 | Low | 52 | Low | 189 Ų | 189 | 164.6 Ų | 164.6 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -65.6 | 149.2 | 176.4 | -64 | 176.2 | 148.5 | 0 | 0 | 111.8 | ||||
| 198 | E | 50.4 | Low | 51.7 | Low | 170 Ų | 170 | 168.7 Ų | 168.7 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -55.8 | 162.6 | 174.2 | -63.3 | -176.7 | 150.8 | 0 | 0 | 113.3 | ||||
| 199 | P | 59.6 | Low | 51 | Low | 127 Ų | 127 | 172.6 Ų | 172.6 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | -142.2 | 142.1 | 111.5 | 30.6 | -13.9 | 0 | 0 | 0 | 115.5 | |||||
| 200 | M | 47.7 | Very low | 50.3 | Low | 166 Ų | 166 | 176 Ų | 176 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -39.8 | 138.4 | 164.2 | -61.8 | -177.1 | 178.8 | 0 | 0 | 114.4 | ||||
| 201 | R | 48.4 | Very low | 49.8 | Very low | 239 Ų | 239 | 172 Ų | 172 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -168.5 | 114.1 | 134.5 | -107.3 | 168.2 | -166.9 | -125 | 5.2 | 113.8 | ||||
| 202 | R | 44.7 | Very low | 48.5 | Very low | 240 Ų | 240 | 176.3 Ų | 176.3 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | 25.3 | 125.1 | 139.5 | -60.9 | -177.5 | -158 | -175.3 | 4.8 | 118.6 | ||||
| 203 | G | 44.4 | Very low | 47.9 | Very low | 71 Ų | 71 | 170.4 Ų | 170.4 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -70.4 | 174.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 204 | F | 45.2 | Very low | 47.7 | Very low | 212 Ų | 212 | 169.2 Ų | 169.2 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -159.5 | 141.1 | 145.3 | -126.6 | -92.2 | 0 | 0 | 0 | 108.1 | ||||
| 205 | M | 42.7 | Very low | 47 | Very low | 174 Ų | 174 | 170.8 Ų | 170.8 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | trans | -65.3 | 154.6 | 178.7 | -55.6 | -175.2 | 80.5 | 0 | 0 | 111.4 | ||||
| 206 | S | 45.1 | Very low | 46.3 | Very low | 111 Ų | 111 | 175.3 Ų | 175.3 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | 136.4 | 137.6 | 119.5 | -149.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 207 | S | 43.2 | Very low | 45.6 | Very low | 108 Ų | 108 | 175 Ų | 175 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | 70.5 | 110.5 | 161.3 | 70.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 208 | R | 46.5 | Very low | 45.2 | Very low | 226 Ų | 226 | 172.8 Ų | 172.8 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | 81.1 | 117.2 | 67.5 | -144.3 | -174.7 | -167.6 | 166.8 | 2.9 | 112.9 | |||||
| 209 | N | 43.5 | Very low | 44.8 | Very low | 136 Ų | 136 | 168.7 Ų | 168.7 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | 76.2 | 95.3 | 158.4 | -63.2 | -17 | 0 | 0 | 0 | 118.7 | ||||
| 210 | E | 47.9 | Very low | 43.9 | Very low | 202 Ų | 202 | 172.5 Ų | 172.5 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -129.3 | 129.7 | 138.6 | -75.5 | -166.2 | 163.6 | 0 | 0 | 111.2 | ||||
| 211 | L | 43.4 | Very low | 43.6 | Very low | 153 Ų | 153 | 173.4 Ų | 173.4 | 80% | 0.801 | 83% | 0.831 | S | S | * | * | trans | -83.3 | 138.6 | -175.1 | -85.9 | 138.4 | 0 | 0 | 0 | 111.3 | ||||
| 212 | R | 40.7 | Very low | 43.2 | Very low | 219 Ų | 219 | 168.3 Ų | 168.3 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | 10.1 | 114.8 | 137.2 | -78.5 | 179.1 | 165.4 | 170.5 | -2.7 | 116.9 | ||||
| 213 | V | 44.3 | Very low | 42.8 | Very low | 120 Ų | 120 | 165 Ų | 165 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -141.7 | 109.9 | 155.3 | 163.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 214 | Y | 43.3 | Very low | 42.8 | Very low | 199 Ų | 199 | 168.6 Ų | 168.6 | 78% | 0.78 | 83% | 0.827 | S | S | * | * | trans | 71.4 | 113.8 | 142.6 | -69.9 | -108.3 | 0 | 0 | 0 | 121.5 | ||||
| 215 | F | 40.5 | Very low | 42.4 | Very low | 187 Ų | 187 | 166.2 Ų | 166.2 | 82% | 0.82 | 82% | 0.816 | S | S | * | * | 82.9 | 104.1 | 71.1 | -110.6 | -89.7 | 0 | 0 | 0 | 114.8 | |||||
| 216 | R | 39.3 | Very low | 42.2 | Very low | 229 Ų | 229 | 163.3 Ų | 163.3 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | 164.7 | 100.9 | 129.6 | -106.3 | 178.2 | 162.5 | -175.4 | -3.4 | 111.9 | |||||
| 217 | Q | 45.7 | Very low | 42 | Very low | 198 Ų | 198 | 168.1 Ų | 168.1 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -170.4 | 85.6 | 137.7 | -145.4 | 97.3 | 16.1 | 0 | 0 | 107.8 | ||||
| 218 | V | 42.7 | Very low | 42.2 | Very low | 141 Ų | 141 | 172.4 Ų | 172.4 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -126.5 | 121.5 | 169.2 | 173.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 219 | A | 42.3 | Very low | 42.1 | Very low | 85 Ų | 85 | 170.9 Ų | 170.9 | 70% | 0.702 | 82% | 0.817 | S | S | * | * | trans | 151.4 | 105.2 | 139.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 220 | F | 40.1 | Very low | 42.3 | Very low | 207 Ų | 207 | 170.3 Ų | 170.3 | 91% | 0.908 | 82% | 0.82 | S | S | * | * | -175.5 | 141.9 | 129 | -117.1 | -93.1 | 0 | 0 | 0 | 108.8 | |||||
| 221 | Q | 41.8 | Very low | 42.4 | Very low | 184 Ų | 184 | 167.6 Ų | 167.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | 80.5 | 74.6 | 173.5 | -79.2 | 170.3 | -6.4 | 0 | 0 | 119.1 | ||||
| 222 | T | 40.1 | Very low | 42.4 | Very low | 132 Ų | 132 | 162.6 Ų | 162.6 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -71 | 155.7 | 134.6 | 38.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 223 | F | 35.5 | Very low | 42.5 | Very low | 171 Ų | 171 | 163.8 Ų | 163.8 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | trans | 94.5 | 78.3 | 150.3 | -128.8 | -92.6 | 0 | 0 | 0 | 119.4 | F225 | F223-F225 AromaticContact CE1-CD2 3.93Å; F223-F225 HydrophobicContact CE1-CD2 3.93Å; F223-F225 AromaticContact CE1-CE2 3.83Å; F223-F225 HydrophobicContact CE1-CE2 3.83Å; F223-F225 HydrophobicContact CZ-CD2 4.48Å; F223-F225 HydrophobicContact CZ-CE2 4.09Å | ||
| 224 | V | 44 | Very low | 42.8 | Very low | 146 Ų | 146 | 168.9 Ų | 168.9 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -140.7 | 102.8 | 136.8 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 225 | F | 38.7 | Very low | 42.9 | Very low | 163 Ų | 163 | 162.9 Ų | 162.9 | 72% | 0.715 | 82% | 0.815 | S | S | * | * | trans | 6.9 | 124.9 | 149 | -101.5 | -102.8 | 0 | 0 | 0 | 120.9 | F223 | F223-F225 AromaticContact CE1-CD2 3.93Å; F223-F225 HydrophobicContact CE1-CD2 3.93Å; F223-F225 AromaticContact CE1-CE2 3.83Å; F223-F225 HydrophobicContact CE1-CE2 3.83Å; F223-F225 HydrophobicContact CZ-CD2 4.48Å; F223-F225 HydrophobicContact CZ-CE2 4.09Å | ||
| 226 | S | 37.9 | Very low | 43 | Very low | 113 Ų | 113 | 166 Ų | 166 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -25.1 | 128.4 | 147.4 | -50 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 227 | R | 41 | Very low | 43.4 | Very low | 212 Ų | 212 | 158.4 Ų | 158.4 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | -153.5 | 64.3 | 155.7 | -131.7 | 177.2 | -176.2 | -177.8 | 3.3 | 111.2 | R229 | R227-R229 PolarHBondContact O-N 2.95Š| ||
| 228 | E | 46.3 | Very low | 43.3 | Very low | 197 Ų | 197 | 157.3 Ų | 157.3 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -65.5 | 111.2 | 158.7 | -73.5 | -177.4 | 170.2 | 0 | 0 | 107.9 | ||||
| 229 | R | 45.5 | Very low | 43.5 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -87.4 | 128.3 | 171.2 | -71.7 | -171.3 | -179.8 | -159.5 | 2.4 | 108.6 | R227 V231 | R227-R229 PolarHBondContact O-N 2.95Å; R229-V231 PolarHBondContact O-N 3.49Å | ||
| 230 | P | 48 | Very low | 43.6 | Very low | 123 Ų | 123 | 162.2 Ų | 162.2 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -74.6 | 118.2 | 163.1 | 30.1 | -28.9 | 0 | 0 | 0 | 108.1 | G232 | P230-G232 PolarHBondContact O-N 3.47Š| ||
| 231 | V | 49.1 | Very low | 44 | Very low | 145 Ų | 145 | 163.6 Ų | 163.6 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -76.5 | 105.6 | 170.3 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | R229 | R229-V231 PolarHBondContact O-N 3.49Š| ||
| 232 | G | 42.8 | Very low | 44 | Very low | 49 Ų | 49 | 158.3 Ų | 158.3 | 51% | 0.505 | 81% | 0.805 | S | S | . | * | trans | -70.7 | 147.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | P230 Y234 | P230-G232 PolarHBondContact O-N 3.47Å; G232-Y234 PolarHBondContact O-N 3.34Å | ||
| 233 | Y | 43.4 | Very low | 44.3 | Very low | 244 Ų | 244 | 161.7 Ų | 161.7 | 96% | 0.957 | 81% | 0.812 | S | S | * | * | trans | -57.4 | 117.4 | 161.9 | -85.8 | -105.6 | 0 | 0 | 0 | 110.9 | ||||
| 234 | Y | 50.9 | Low | 44.8 | Very low | 226 Ų | 226 | 164.9 Ų | 164.9 | 89% | 0.886 | 82% | 0.819 | S | S | * | * | trans | -122.1 | 133.6 | 154.6 | -69.7 | -86.8 | 0 | 0 | 0 | 105.1 | G232 | G232-Y234 PolarHBondContact O-N 3.34Š| ||
| 235 | G | 45.4 | Very low | 44.6 | Very low | 73 Ų | 73 | 169 Ų | 169 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | cis | 134.7 | 89.7 | 34.2 | 0 | 0 | 0 | 0 | 0 | 104.1 | G237 | G235-G237 PolarHBondContact O-N 2.82Š| ||
| 236 | R | 42 | Very low | 45 | Very low | 254 Ų | 254 | 170 Ų | 170 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | trans | -76.6 | 98 | -173.5 | -165.3 | -173.3 | -77.4 | -140.7 | 1.5 | 108.3 | ||||
| 237 | G | 48.6 | Very low | 45.4 | Very low | 69 Ų | 69 | 172.7 Ų | 172.7 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | -93.7 | 117.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G235 | G235-G237 PolarHBondContact O-N 2.82Š| ||
| 238 | E | 43.8 | Very low | 46 | Very low | 175 Ų | 175 | 171.2 Ų | 171.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -68.8 | 129.2 | 171.2 | -63.9 | -179.7 | 157.8 | 0 | 0 | 110.6 | ||||
| 239 | I | 46.4 | Very low | 45.8 | Very low | 164 Ų | 164 | 167.9 Ų | 167.9 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -126.7 | 107.6 | 165.5 | -60.1 | 179.7 | 0 | 0 | 0 | 107.9 | ||||
| 240 | K | 45.3 | Very low | 45.8 | Very low | 165 Ų | 165 | 165.5 Ų | 165.5 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | trans | -73.6 | 174.7 | 164.8 | -72.8 | 176.3 | 177.2 | 171.7 | 0 | 109.7 | ||||
| 241 | Y | 48.5 | Very low | 45.7 | Very low | 236 Ų | 236 | 162.3 Ų | 162.3 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | 87 | 121 | -173.5 | -46.7 | -68.8 | 0 | 0 | 0 | 111.9 | ||||
| 242 | G | 41 | Very low | 45.5 | Very low | 72 Ų | 72 | 164.6 Ų | 164.6 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | 145.4 | 78.4 | 17.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 243 | Q | 45.7 | Very low | 45.8 | Very low | 204 Ų | 204 | 169.2 Ų | 169.2 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -100.5 | 106.5 | 174.3 | -90.4 | -175.1 | -10.8 | 0 | 0 | 110.9 | ||||
| 244 | R | 46.9 | Very low | 46.1 | Very low | 238 Ų | 238 | 163.2 Ų | 163.2 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 123.3 | 169.2 | -68.3 | 177.2 | 176.5 | -160.7 | -1.3 | 109.8 | ||||
| 245 | R | 39.9 | Very low | 46 | Very low | 233 Ų | 233 | 162.4 Ų | 162.4 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | 16.2 | 109.8 | 137.1 | -57.9 | -175 | -179.9 | -162.7 | -0.8 | 116.6 | ||||
| 246 | F | 46.5 | Very low | 46.3 | Very low | 183 Ų | 183 | 170 Ų | 170 | 80% | 0.803 | 81% | 0.808 | S | S | * | * | trans | -146 | 73.9 | 140.6 | -101.5 | -78.9 | 0 | 0 | 0 | 110.1 | ||||
| 247 | N | 46.4 | Very low | 46.9 | Very low | 170 Ų | 170 | 163.3 Ų | 163.3 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -86.4 | 104.1 | 149.4 | -87.6 | -22.3 | 0 | 0 | 0 | 106.6 | ||||
| 248 | R | 52.8 | Low | 46.9 | Very low | 180 Ų | 180 | 168 Ų | 168 | 68% | 0.679 | 81% | 0.805 | S | S | * | * | trans | -125.9 | 108.7 | 161.7 | -103.1 | -175.8 | -179.5 | -161.6 | 1.8 | 108 | F250 | R248-F250 HydrophobicContact CB-CD2 4.45Š| ||
| 249 | P | 43.6 | Very low | 47.4 | Very low | 127 Ų | 127 | 171.1 Ų | 171.1 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 115.7 | 162.4 | 31.8 | -24.8 | 0 | 0 | 0 | 106.5 | ||||
| 250 | F | 45.3 | Very low | 47.4 | Very low | 146 Ų | 146 | 174 Ų | 174 | 64% | 0.64 | 81% | 0.809 | S | S | * | * | trans | -101 | 104 | 172.6 | -115.1 | -89 | 0 | 0 | 0 | 108.8 | R248 | R248-F250 HydrophobicContact CB-CD2 4.45Š| ||
| 251 | G | 45.4 | Very low | 47.7 | Very low | 56 Ų | 56 | 178.3 Ų | 178.3 | 58% | 0.577 | 82% | 0.821 | S | S | * | * | trans | -74.9 | 161.3 | 164 | 0 | 0 | 0 | 0 | 0 | 111.9 | E253 | G251-E253 PolarHBondContact O-N 2.91Š| ||
| 252 | E | 45 | Very low | 47.8 | Very low | 193 Ų | 193 | 173.7 Ų | 173.7 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | 22.5 | 93.5 | 149.6 | -69.2 | 179.2 | 141.9 | 0 | 0 | 117.6 | ||||
| 253 | E | 48.5 | Very low | 48.5 | Very low | 146 Ų | 146 | 175.8 Ų | 175.8 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | trans | -128.9 | 92.3 | 153.3 | -83.4 | -173.9 | 175.6 | 0 | 0 | 110.3 | G251 | G251-E253 PolarHBondContact O-N 2.91Š| ||
| 254 | T | 49.7 | Very low | 49.4 | Very low | 117 Ų | 117 | 171.9 Ų | 171.9 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | 17.5 | 117.9 | 128.8 | 49.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 255 | K | 49.7 | Very low | 50.2 | Low | 210 Ų | 210 | 166.9 Ų | 166.9 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | 36.7 | 90.3 | 135 | -63.9 | -179.9 | 179.2 | 177.4 | 0 | 116 | ||||
| 256 | R | 51.7 | Low | 50.7 | Low | 232 Ų | 232 | 166.9 Ų | 166.9 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | trans | -92.6 | 126.5 | 155.8 | -71.1 | -172.2 | 178.4 | -171.8 | 1.3 | 110.4 | ||||
| 257 | P | 53.6 | Low | 50.5 | Low | 114 Ų | 114 | 168.7 Ų | 168.7 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | trans | -83.1 | 147.3 | 175.4 | 33.3 | -31.2 | 0 | 0 | 0 | 111.2 | R259 | P257-R259 PolarHBondContact O-N 3.32Š| ||
| 258 | I | 49.4 | Very low | 50.9 | Low | 167 Ų | 167 | 168.5 Ų | 168.5 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -48.9 | 114.3 | 172.1 | -65.6 | 159.1 | 0 | 0 | 0 | 110.4 | ||||
| 259 | R | 53.9 | Low | 50.8 | Low | 240 Ų | 240 | 164.8 Ų | 164.8 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -91.8 | 114.5 | 163.3 | -78.7 | -169.6 | 174.8 | 171.6 | -0.4 | 109.4 | P257 | P257-R259 PolarHBondContact O-N 3.32Š| ||
| 260 | R | 45.6 | Very low | 51.3 | Low | 225 Ų | 225 | 166.6 Ų | 166.6 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | trans | -59.9 | 132.4 | 164.8 | -67.1 | 179 | 173.9 | 174.9 | -1.3 | 109.4 | ||||
| 261 | R | 53.3 | Low | 51.4 | Low | 255 Ų | 255 | 168.7 Ų | 168.7 | 96% | 0.962 | 82% | 0.817 | S | S | * | * | trans | -99.6 | 110.4 | 165.8 | -114.6 | -178.2 | -176.4 | -176 | 1.5 | 107.4 | ||||
| 262 | D | 50 | Low | 51.9 | Low | 140 Ų | 140 | 169.6 Ų | 169.6 | 75% | 0.749 | 83% | 0.826 | S | S | * | * | trans | -95.1 | 145.2 | 166.6 | -75.3 | -46.4 | 0 | 0 | 0 | 110 | ||||
| 263 | S | 56.3 | Low | 52.3 | Low | 115 Ų | 115 | 168 Ų | 168 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 90.3 | 119.7 | 157.8 | -48.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 264 | P | 64.6 | Low | 52.9 | Low | 122 Ų | 122 | 168.1 Ų | 168.1 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 153.6 | 161.5 | 36.2 | -27.5 | 0 | 0 | 0 | 112.3 | ||
| 265 | P | 62.5 | Low | 53 | Low | 133 Ų | 133 | 170.8 Ų | 170.8 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 165.3 | 179.4 | 35.6 | -31.8 | 0 | 0 | 0 | 113.9 | ||
| 266 | R | 50.9 | Low | 53.2 | Low | 234 Ų | 234 | 166.7 Ų | 166.7 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 142.5 | -163.9 | -72.4 | 174.6 | 165.1 | -144.8 | -1.9 | 115.2 | ||
| 267 | R | 42.6 | Very low | 53.2 | Low | 220 Ų | 220 | 163.5 Ų | 163.5 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | 49.2 | 113.4 | 124.4 | -132.3 | -178.6 | -153.4 | 179.1 | 4.7 | 119.3 | |||||
| 268 | I | 53.7 | Low | 53 | Low | 167 Ų | 167 | 166.5 Ų | 166.5 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -126.6 | 134 | 147.9 | -65.2 | 178.8 | 0 | 0 | 0 | 107.9 | ||||
| 269 | V | 52.6 | Low | 53 | Low | 101 Ų | 101 | 167.4 Ų | 167.4 | 61% | 0.612 | 82% | 0.823 | S | S | * | * | trans | -90.2 | 139 | -178.6 | 169.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 270 | N | 52.7 | Low | 53.1 | Low | 165 Ų | 165 | 165 Ų | 165 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -157.1 | 137.2 | 145.9 | -93.1 | -22.7 | 0 | 0 | 0 | 110.6 | ||||
| 271 | Q | 47.7 | Very low | 53.5 | Low | 191 Ų | 191 | 160.2 Ų | 160.2 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -82.8 | 155.9 | -174.6 | -65.5 | 167.2 | -10.9 | 0 | 0 | 111.3 | ||||
| 272 | G | 55.5 | Low | 53.5 | Low | 75 Ų | 75 | 154 Ų | 154 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 167.3 | 104.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 273 | D | 54.4 | Low | 53.8 | Low | 159 Ų | 159 | 153.2 Ų | 153.2 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -64 | 139.3 | -177.4 | -56.2 | -64.6 | 0 | 0 | 0 | 113.6 | ||||
| 274 | D | 59.8 | Low | 53.8 | Low | 149 Ų | 149 | 157.3 Ų | 157.3 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | -173.8 | 157.8 | 123.2 | -108.7 | -31.2 | 0 | 0 | 0 | 113.1 | |||||
| 275 | K | 52.7 | Low | 53.4 | Low | 172 Ų | 172 | 158.9 Ų | 158.9 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -86.7 | 165.3 | -149.3 | -64.4 | 152.6 | 175.1 | 166.1 | 0 | 115.7 | ||||
| 276 | T | 52.9 | Low | 53.1 | Low | 124 Ų | 124 | 160.7 Ų | 160.7 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | trans | 69.7 | 124.5 | 149.3 | 31 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 277 | E | 53.2 | Low | 53 | Low | 166 Ų | 166 | 161 Ų | 161 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | cis | -164.9 | 153.3 | 29.4 | -97.2 | 160.1 | -168.4 | 0 | 0 | 111 | ||||
| 278 | Q | 49.4 | Very low | 53.4 | Low | 176 Ų | 176 | 161.9 Ų | 161.9 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | 47.3 | 101.9 | 148.8 | -62.2 | -176.3 | 3.2 | 0 | 0 | 119.9 | ||||
| 279 | E | 49.2 | Very low | 53.3 | Low | 187 Ų | 187 | 159.1 Ų | 159.1 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | 69 | 96 | 89.3 | -82.5 | -165.4 | 160.5 | 0 | 0 | 116.5 | |||||
| 280 | E | 54.5 | Low | 53.4 | Low | 188 Ų | 188 | 164 Ų | 164 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | -162.8 | 130.5 | 129 | -84.7 | -145 | 153.5 | 0 | 0 | 110.3 | |||||
| 281 | P | 54.3 | Low | 53.6 | Low | 126 Ų | 126 | 164 Ų | 164 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -105.3 | 106.7 | 174.2 | 34.6 | -25.3 | 0 | 0 | 0 | 111.9 | ||||
| 282 | S | 53 | Low | 54.3 | Low | 123 Ų | 123 | 159.4 Ų | 159.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -88.1 | 133.1 | 170.3 | 46 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 283 | V | 58 | Low | 54.7 | Low | 124 Ų | 124 | 161.6 Ų | 161.6 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | -77.3 | 131.7 | -160.1 | 171.8 | 0 | 0 | 0 | 0 | 112.9 | I285 | V283-I285 PolarHBondContact O-N 2.88Š| ||
| 284 | K | 55.7 | Low | 54.8 | Low | 202 Ų | 202 | 160.9 Ų | 160.9 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | trans | -66.8 | 108.7 | 164.9 | -71.4 | 172.8 | 178.7 | 171.9 | 0 | 110.2 | Q286 | K284-Q286 PolarHBondContact O-N 3.32Š| ||
| 285 | I | 55.1 | Low | 54.6 | Low | 154 Ų | 154 | 159.6 Ų | 159.6 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -80 | 99.3 | 170.9 | -62.8 | 174.7 | 0 | 0 | 0 | 109 | V283 R287 | V283-I285 PolarHBondContact O-N 2.88Å; I285-R287 PolarHBondContact O-N 3.07Å | ||
| 286 | Q | 57.6 | Low | 54.2 | Low | 172 Ų | 172 | 161.1 Ų | 161.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -74.3 | 114.8 | 163.3 | -88.7 | -178.2 | -10.1 | 0 | 0 | 109.7 | K284 R288 | K284-Q286 PolarHBondContact O-N 3.32Å; Q286-R288 PolarHBondContact O-N 2.99Å; Q286-R288 VanDerWaalsContact O-N 3.08Å | ||
| 287 | R | 49.3 | Very low | 54.2 | Low | 241 Ų | 241 | 159.6 Ų | 159.6 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -61.2 | 103.9 | 167 | -74.4 | 177.5 | 152.9 | 179.8 | -6.4 | 110.1 | I285 | I285-R287 PolarHBondContact O-N 3.07Š| ||
| 288 | R | 49.6 | Very low | 53.9 | Low | 238 Ų | 238 | 159.6 Ų | 159.6 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -99.1 | 96.8 | 160.6 | -85.5 | -173.5 | 170.8 | -138.6 | 0.7 | 109 | Q286 | Q286-R288 PolarHBondContact O-N 2.99Å; Q286-R288 VanDerWaalsContact O-N 3.08Å | ||
| 289 | S | 52.9 | Low | 54.3 | Low | 109 Ų | 109 | 157.9 Ų | 157.9 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -105.8 | 82.7 | 166.4 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 290 | K | 54.1 | Low | 54.7 | Low | 204 Ų | 204 | 154 Ų | 154 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -154.2 | 85.7 | 157.7 | -68.4 | -165.2 | -177.5 | -179.2 | 0 | 108.2 | ||||
| 291 | I | 57.1 | Low | 55.3 | Low | 164 Ų | 164 | 150.8 Ų | 150.8 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -107.8 | 110.4 | 162.9 | -62.7 | 174.6 | 0 | 0 | 0 | 105.3 | ||||
| 292 | S | 61.3 | Low | 55.8 | Low | 95 Ų | 95 | 150.9 Ų | 150.9 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | trans | -67 | 147.5 | 169.5 | 39.5 | 0 | 0 | 0 | 0 | 110.4 | I294 | S292-I294 PolarHBondContact O-N 3.39Š| ||
| 293 | P | 64.1 | Low | 55.7 | Low | 121 Ų | 121 | 155.6 Ų | 155.6 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -66.5 | 129.9 | 179.4 | 27.4 | -32.1 | 0 | 0 | 0 | 110.4 | T295 | P293-T295 PolarHBondContact O-N 3.4Š| ||
| 294 | I | 56.9 | Low | 55.2 | Low | 144 Ų | 144 | 155.6 Ų | 155.6 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | -76 | 111.8 | 172.1 | -65.9 | 167.4 | 0 | 0 | 0 | 107.3 | S292 F296 | S292-I294 PolarHBondContact O-N 3.39Å; I294-F296 HydrophobicContact CG2-CD2 4.11Å; I294-F296 HydrophobicContact CG2-CE2 4.38Å | ||
| 295 | T | 55.5 | Low | 55 | Low | 122 Ų | 122 | 153.4 Ų | 153.4 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -82.1 | 112.2 | 166.6 | 50 | 0 | 0 | 0 | 0 | 108.6 | P293 S297 | P293-T295 PolarHBondContact O-N 3.4Å; T295-S297 PolarHBondContact O-N 3.23Å | ||
| 296 | F | 45.1 | Very low | 54.9 | Low | 204 Ų | 204 | 150.7 Ų | 150.7 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -77.1 | 113.2 | 165.1 | -103.5 | -96.7 | 0 | 0 | 0 | 108.2 | I294 | I294-F296 HydrophobicContact CG2-CD2 4.11Å; I294-F296 HydrophobicContact CG2-CE2 4.38Å | ||
| 297 | S | 52.9 | Low | 54.4 | Low | 92 Ų | 92 | 147.6 Ų | 147.6 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | trans | -125.2 | 114.4 | 167.3 | 50.3 | 0 | 0 | 0 | 0 | 108.4 | T295 | T295-S297 PolarHBondContact O-N 3.23Š| ||
| 298 | D | 47 | Very low | 54.5 | Low | 166 Ų | 166 | 144.7 Ų | 144.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 9 | 107.8 | 155.9 | -59.3 | -36.6 | 0 | 0 | 0 | 117.6 | ||||
| 299 | V | 57.1 | Low | 54.3 | Low | 140 Ų | 140 | 136.6 Ų | 136.6 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -135.9 | 113.9 | 153.2 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 300 | S | 57.3 | Low | 54.1 | Low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 151.1 | 179.2 | -50 | 0 | 0 | 0 | 0 | 113.2 | ||
| 301 | P | 67.1 | Low | 53.9 | Low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 138.1 | 178.9 | 31.9 | -31.9 | 0 | 0 | 0 | 111.3 | ||
| 302 | P | 65.9 | Low | 53.5 | Low | 128 Ų | 128 | 137.2 Ų | 137.2 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 128.4 | 165.4 | 31.9 | -27.2 | 0 | 0 | 0 | 109.7 | ||
| 303 | R | 49.1 | Very low | 53.1 | Low | 223 Ų | 223 | 137.6 Ų | 137.6 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 150 | 167.6 | -92.1 | -172.4 | -180 | -165.4 | 0.4 | 111.3 | ||
| 304 | D | 47.5 | Very low | 52.6 | Low | 124 Ų | 124 | 141 Ų | 141 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | 61.5 | 115.5 | 150.7 | -51 | -24 | 0 | 0 | 0 | 117.6 | ||||
| 305 | N | 53.2 | Low | 52.4 | Low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | -172.3 | 109.6 | 125 | -85.5 | -31 | 0 | 0 | 0 | 111.3 | |||||
| 306 | S | 51.8 | Low | 52.5 | Low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 14.5 | 125.2 | 140.1 | 42.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 307 | S | 48.3 | Very low | 53.6 | Low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 20.3 | 123.2 | 133.3 | 61.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 308 | L | 50.5 | Low | 54.2 | Low | 181 Ų | 181 | 133.3 Ų | 133.3 | 95% | 0.948 | 77% | 0.772 | S | S | * | * | -177.5 | 133.3 | 127.4 | -94.8 | 167.1 | 0 | 0 | 0 | 111.7 | |||||
| 309 | G | 45 | Very low | 55.1 | Low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 80.3 | 91 | 133.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | V311 | G309-V311 PolarHBondContact O-N 3.45Š| ||
| 310 | A | 48.4 | Very low | 55.7 | Low | 109 Ų | 109 | 132.1 Ų | 132.1 | 90% | 0.901 | 74% | 0.744 | S | S | * | * | trans | -61.7 | 118.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 311 | V | 50 | Low | 56.5 | Low | 129 Ų | 129 | 136.5 Ų | 136.5 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | trans | -121.7 | 108.9 | 163.1 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | G309 S313 | G309-V311 PolarHBondContact O-N 3.45Å; V311-S313 PolarHBondContact O-N 2.94Å | ||
| 312 | R | 49.4 | Very low | 57 | Low | 251 Ų | 251 | 136.5 Ų | 136.5 | 95% | 0.947 | 73% | 0.734 | S | S | * | * | trans | -68.6 | 116.8 | 166.9 | -88.3 | 173.4 | 159 | -175.4 | -4.4 | 108.4 | ||||
| 313 | S | 52.5 | Low | 57.5 | Low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | trans | -130.6 | 148.1 | 161.8 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | V311 A315 | V311-S313 PolarHBondContact O-N 2.94Å; S313-A315 PolarHBondContact O-N 2.94Å | ||
| 314 | H | 54 | Low | 59 | Low | 193 Ų | 193 | 133.4 Ų | 133.4 | 89% | 0.894 | 71% | 0.71 | S | S | * | * | trans | -60.9 | 112.1 | -158.4 | -63.3 | -93.5 | 0 | 0 | 0 | 112.9 | S316 | H314-S316 PolarHBondContact O-N 3.34Š| ||
| 315 | A | 52.7 | Low | 60.6 | Low | 65 Ų | 65 | 130.3 Ų | 130.3 | 54% | 0.537 | 70% | 0.701 | S | S | . | * | trans | -69.9 | 119.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | S313 H319 | S313-A315 PolarHBondContact O-N 2.94Å; A315-H319 HydrophobicContact CB-CB 3.89Å | ||
| 316 | S | 59 | Low | 61.9 | Low | 76 Ų | 76 | 125.8 Ų | 125.8 | 53% | 0.531 | 69% | 0.686 | S | S | . | * | trans | -48.6 | 149.6 | 174 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | H314 Q318 H319 | H314-S316 PolarHBondContact O-N 3.34Å; S316-Q318 PolarHBondContact O-N 3.49Å; S316-H319 PolarHBondContact O-N 3.28Å | ||
| 317 | P | 66.1 | Low | 63.2 | Low | 106 Ų | 106 | 124.1 Ų | 124.1 | 69% | 0.688 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -50.7 | -23.5 | -177.2 | -29.6 | 35.5 | 0 | 0 | 0 | 116.1 | R320 R321 | P317-R320 PolarHBondContact O-N 2.86Å; P317-R321 PolarHBondContact O-N 3.16Å |
| 318 | Q | 67.3 | Low | 64.6 | Low | 153 Ų | 153 | 126.1 Ų | 126.1 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -64.5 | -41.6 | 173.5 | -78.8 | -178.8 | -41.6 | 0 | 0 | 113 | S316 R320 R321 E322 | S316-Q318 PolarHBondContact O-N 3.49Å; Q318-R320 PolarHBondContact O-N 3.44Å; Q318-R321 PolarHBondContact O-N 3.41Å; Q318-R321 VanDerWaalsContact O-N 3.13Å; Q318-E322 PolarHBondContact O-N 2.93Å; Q318-E322 VanDerWaalsContact O-N 3.09Å |
| 319 | H | 64.9 | Low | 65.7 | Low | 102 Ų | 102 | 120.2 Ų | 120.2 | 47% | 0.472 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.6 | -26.2 | 178.9 | -116.2 | -19.4 | 0 | 0 | 0 | 112.5 | A315 S316 E322 R323 | A315-H319 HydrophobicContact CB-CB 3.89Å; S316-H319 PolarHBondContact O-N 3.28Å; H319-E322 IonicContact CE1-OE2 3.55Å; H319-E322 IonicContact ND1-OE2 2.94Å; H319-E322 PolarHBondContact ND1-OE2 3.48Å; H319-R323 WeakPolarHBondContact O-CB 3.33Å; H319-R323 WeakPolarHBondContact O-CG 3.34Å; H319-R323 PolarHBondContact O-N 3.49Å |
| 320 | R | 70 | Confident | 67.1 | Low | 180 Ų | 180 | 119.9 Ų | 119.9 | 68% | 0.679 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.7 | -38.5 | 173.8 | -164.8 | 176.4 | -177.5 | 176.9 | 0.1 | 111.4 | P317 Q318 Q324 | P317-R320 PolarHBondContact O-N 2.86Å; Q318-R320 PolarHBondContact O-N 3.44Å; R320-Q324 WeakPolarHBondContact O-CB 3.31Å; R320-Q324 VanDerWaalsContact O-CG 3.26Å; R320-Q324 WeakPolarHBondContact O-CG 3.43Å; R320-Q324 PolarHBondContact O-N 2.91Å |
| 321 | R | 73.9 | Confident | 68.3 | Low | 197 Ų | 197 | 117 Ų | 117 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.5 | -41.3 | 174.6 | -73.8 | -175.5 | 175.9 | 177.4 | -0.4 | 111.8 | P317 Q318 Q324 A325 | P317-R321 PolarHBondContact O-N 3.16Å; Q318-R321 PolarHBondContact O-N 3.41Å; Q318-R321 VanDerWaalsContact O-N 3.13Å; R321-Q324 PolarHBondContact O-N 3.28Å; R321-A325 WeakPolarHBondContact O-CB 3.38Å; R321-A325 PolarHBondContact O-N 2.97Å |
| 322 | E | 77.8 | Confident | 69.1 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 56% | 0.556 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.3 | -45.1 | 174.3 | -76 | 177.3 | 160.6 | 0 | 0 | 112.5 | Q318 H319 Q324 A325 A326 | Q318-E322 PolarHBondContact O-N 2.93Å; Q318-E322 VanDerWaalsContact O-N 3.09Å; H319-E322 IonicContact CE1-OE2 3.55Å; H319-E322 IonicContact ND1-OE2 2.94Å; H319-E322 PolarHBondContact ND1-OE2 3.48Å; E322-Q324 VanDerWaalsContact C-N 3.31Å; E322-Q324 PolarHBondContact O-N 3.47Å; E322-A325 PolarHBondContact O-N 3.49Å; E322-A326 WeakPolarHBondContact O-CB 3.16Å; E322-A326 PolarHBondContact O-N 3.38Å |
| 323 | R | 77 | Confident | 69.9 | Low | 184 Ų | 184 | 113.6 Ų | 113.6 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.2 | -38.2 | 174.7 | -79.2 | -175.1 | 179.3 | -177.5 | 1.1 | 112.3 | H319 A327 | H319-R323 WeakPolarHBondContact O-CB 3.33Å; H319-R323 WeakPolarHBondContact O-CG 3.34Å; H319-R323 PolarHBondContact O-N 3.49Å; R323-A327 VanDerWaalsContact O-CB 3.26Å; R323-A327 WeakPolarHBondContact O-CB 3.42Å; R323-A327 PolarHBondContact O-N 2.69Å |
| 324 | Q | 80.7 | Confident | 70.3 | Confident | 102 Ų | 102 | 113.2 Ų | 113.2 | 48% | 0.477 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.8 | -38.5 | 175.2 | -75.7 | 177.9 | 3.8 | 0 | 0 | 112.3 | R320 R321 E322 A327 K328 | R320-Q324 WeakPolarHBondContact O-CB 3.31Å; R320-Q324 VanDerWaalsContact O-CG 3.26Å; R320-Q324 WeakPolarHBondContact O-CG 3.43Å; R320-Q324 PolarHBondContact O-N 2.91Å; R321-Q324 PolarHBondContact O-N 3.28Å; E322-Q324 VanDerWaalsContact C-N 3.31Å; E322-Q324 PolarHBondContact O-N 3.47Å; Q324-A327 PolarHBondContact O-N 3.27Å; Q324-K328 WeakPolarHBondContact O-CB 3.43Å; Q324-K328 VanDerWaalsContact O-CG 3.31Å; Q324-K328 WeakPolarHBondContact O-CG 3.45Å; Q324-K328 PolarHBondContact O-N 3.42Å |
| 325 | A | 79.9 | Confident | 70.8 | Confident | 59 Ų | 59 | 112.4 Ų | 112.4 | 49% | 0.488 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.5 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | R321 E322 K328 A329 | R321-A325 WeakPolarHBondContact O-CB 3.38Å; R321-A325 PolarHBondContact O-N 2.97Å; E322-A325 PolarHBondContact O-N 3.49Å; A325-K328 PolarHBondContact O-N 3Å; A325-A329 WeakPolarHBondContact O-CB 3.4Å; A325-A329 PolarHBondContact O-N 3.43Å |
| 326 | A | 80.1 | Confident | 71.3 | Confident | 62 Ų | 62 | 111 Ų | 111 | 51% | 0.512 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.8 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E322 A329 A330 | E322-A326 WeakPolarHBondContact O-CB 3.16Å; E322-A326 PolarHBondContact O-N 3.38Å; A326-A329 PolarHBondContact O-N 3.07Å; A326-A330 WeakPolarHBondContact O-CB 3.42Å; A326-A330 PolarHBondContact O-N 2.94Å |
| 327 | A | 79.4 | Confident | 71.7 | Confident | 61 Ų | 61 | 111.4 Ų | 111.4 | 50% | 0.504 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.3 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R323 Q324 A330 A331 | R323-A327 VanDerWaalsContact O-CB 3.26Å; R323-A327 WeakPolarHBondContact O-CB 3.42Å; R323-A327 PolarHBondContact O-N 2.69Å; Q324-A327 PolarHBondContact O-N 3.27Å; A327-A330 PolarHBondContact O-N 3.19Å; A327-A331 WeakPolarHBondContact O-CB 3.21Å; A327-A331 PolarHBondContact O-N 3.33Å |
| 328 | K | 78.4 | Confident | 72 | Confident | 149 Ų | 149 | 115.5 Ų | 115.5 | 65% | 0.648 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65 | -43.1 | 173.4 | -76.2 | -179.1 | 179.9 | -173.5 | 0 | 111.8 | Q324 A325 A330 A331 V332 | Q324-K328 WeakPolarHBondContact O-CB 3.43Å; Q324-K328 VanDerWaalsContact O-CG 3.31Å; Q324-K328 WeakPolarHBondContact O-CG 3.45Å; Q324-K328 PolarHBondContact O-N 3.42Å; A325-K328 PolarHBondContact O-N 3Å; K328-A330 VanDerWaalsContact C-N 3.34Å; K328-A330 PolarHBondContact O-N 3.32Å; K328-A331 PolarHBondContact O-N 2.91Å; K328-V332 WeakPolarHBondContact O-CG2 3.31Å; K328-V332 PolarHBondContact O-N 3.21Å |
| 329 | A | 74.4 | Confident | 72.5 | Confident | 56 Ų | 56 | 112.3 Ų | 112.3 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.5 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A325 A326 V332 R333 | A325-A329 WeakPolarHBondContact O-CB 3.4Å; A325-A329 PolarHBondContact O-N 3.43Å; A326-A329 PolarHBondContact O-N 3.07Å; A329-V332 PolarHBondContact O-N 3.47Å; A329-R333 PolarHBondContact O-N 3.24Å |
| 330 | A | 74.2 | Confident | 73 | Confident | 62 Ų | 62 | 109.1 Ų | 109.1 | 51% | 0.512 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.2 | -40.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A326 A327 K328 V332 R333 S334 | A326-A330 WeakPolarHBondContact O-CB 3.42Å; A326-A330 PolarHBondContact O-N 2.94Å; A327-A330 PolarHBondContact O-N 3.19Å; K328-A330 VanDerWaalsContact C-N 3.34Å; K328-A330 PolarHBondContact O-N 3.32Å; A330-V332 VanDerWaalsContact C-N 3.35Å; A330-R333 PolarHBondContact O-N 3Å; A330-S334 PolarHBondContact O-N 2.87Å; A330-S334 PolarHBondContact O-OG 3.42Å |
| 331 | A | 72.6 | Confident | 73.4 | Confident | 47 Ų | 47 | 104.8 Ų | 104.8 | 39% | 0.388 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.6 | -28.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A327 K328 S334 K335 | A327-A331 WeakPolarHBondContact O-CB 3.21Å; A327-A331 PolarHBondContact O-N 3.33Å; K328-A331 PolarHBondContact O-N 2.91Å; A331-S334 WeakPolarHBondContact CA-OG 3.42Å; A331-S334 PolarHBondContact O-OG 3.14Å; A331-K335 WeakPolarHBondContact O-CG 3.42Å; A331-K335 PolarHBondContact O-N 3.31Å |
| 332 | V | 67.3 | Low | 73.9 | Confident | 104 Ų | 104 | 99 Ų | 99 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75 | -39.5 | 172 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | K328 A329 A330 S334 K335 A336 | K328-V332 WeakPolarHBondContact O-CG2 3.31Å; K328-V332 PolarHBondContact O-N 3.21Å; A329-V332 PolarHBondContact O-N 3.47Å; A330-V332 VanDerWaalsContact C-N 3.35Å; V332-S334 VanDerWaalsContact C-N 3.32Å; V332-S334 PolarHBondContact O-N 3.19Å; V332-K335 PolarHBondContact O-N 2.93Å; V332-K335 VanDerWaalsContact O-N 3.09Å; V332-A336 PolarHBondContact O-N 3.33Å |
| 333 | R | 64.9 | Low | 74.1 | Confident | 205 Ų | 205 | 102.7 Ų | 102.7 | 77% | 0.774 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.6 | -33.2 | 173.8 | -88.9 | -175.9 | 163.4 | -159.4 | -3.6 | 113.4 | A329 A330 K335 A336 | A329-R333 PolarHBondContact O-N 3.24Å; A330-R333 PolarHBondContact O-N 3Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.91Å; R333-A336 PolarHBondContact O-N 3.42Å |
| 334 | S | 62.6 | Low | 74.5 | Confident | 95 Ų | 95 | 98.1 Ų | 98.1 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.2 | 174.3 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | A330 A331 V332 | A330-S334 PolarHBondContact O-N 2.87Å; A330-S334 PolarHBondContact O-OG 3.42Å; A331-S334 WeakPolarHBondContact CA-OG 3.42Å; A331-S334 PolarHBondContact O-OG 3.14Å; V332-S334 VanDerWaalsContact C-N 3.32Å; V332-S334 PolarHBondContact O-N 3.19Å |
| 335 | K | 63.5 | Low | 74.8 | Confident | 177 Ų | 177 | 102.2 Ų | 102.2 | 77% | 0.77 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -4 | 173.1 | -72.8 | 179.3 | 179.7 | -171.4 | 0 | 113.9 | A331 V332 R333 | A331-K335 WeakPolarHBondContact O-CG 3.42Å; A331-K335 PolarHBondContact O-N 3.31Å; V332-K335 PolarHBondContact O-N 2.93Å; V332-K335 VanDerWaalsContact O-N 3.09Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.91Å |
| 336 | A | 63.5 | Low | 75.1 | Confident | 36 Ų | 36 | 107.6 Ų | 107.6 | 30% | 0.298 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -62.3 | 137.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V332 R333 K338 | V332-A336 PolarHBondContact O-N 3.33Å; R333-A336 PolarHBondContact O-N 3.42Å; A336-K338 PolarHBondContact O-N 3.44Å |
| 337 | P | 67.1 | Low | 75.5 | Confident | 83 Ų | 83 | 109.8 Ų | 109.8 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | trans | -58.4 | 133.8 | -176.8 | 26 | -34.5 | 0 | 0 | 0 | 108.9 | S339 A340 | P337-S339 PolarHBondContact O-N 3.46Å; P337-A340 HydrophobicContact CG-CB 4.06Å; P337-A340 PolarHBondContact O-N 3.34Å | ||
| 338 | K | 73.5 | Confident | 75.9 | Confident | 193 Ų | 193 | 112.7 Ų | 112.7 | 84% | 0.839 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -52.4 | -25.3 | -179.2 | -66.5 | 177.3 | -178.7 | 174.2 | 0 | 112 | A336 N341 E342 | A336-K338 PolarHBondContact O-N 3.44Å; K338-N341 PolarHBondContact O-N 2.92Å; K338-E342 WeakPolarHBondContact O-CB 3.46Å; K338-E342 PolarHBondContact O-N 3.25Å |
| 339 | S | 77.1 | Confident | 76.3 | Confident | 85 Ų | 85 | 107.5 Ų | 107.5 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.1 | -38.6 | 172.9 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | P337 E342 R343 | P337-S339 PolarHBondContact O-N 3.46Å; S339-E342 PolarHBondContact O-N 3.49Å; S339-R343 WeakPolarHBondContact O-CB 3.36Å; S339-R343 PolarHBondContact O-N 2.9Å |
| 340 | A | 74.6 | Confident | 77 | Confident | 36 Ų | 36 | 110.4 Ų | 110.4 | 30% | 0.298 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P337 N344 | P337-A340 HydrophobicContact CG-CB 4.06Å; P337-A340 PolarHBondContact O-N 3.34Å; A340-N344 WeakPolarHBondContact O-CB 3.48Å; A340-N344 VanDerWaalsContact O-CG 3.28Å; A340-N344 PolarHBondContact O-N 3.12Å |
| 341 | N | 79.2 | Confident | 77.6 | Confident | 88 Ų | 88 | 111 Ų | 111 | 47% | 0.471 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68 | -39.1 | 173.9 | -78.9 | -14.6 | 0 | 0 | 0 | 111.9 | K338 N344 R345 | K338-N341 PolarHBondContact O-N 2.92Å; N341-N344 PolarHBondContact O-N 3.38Å; N341-R345 VanDerWaalsContact O-CB 3.28Å; N341-R345 WeakPolarHBondContact O-CB 3.22Å; N341-R345 PolarHBondContact O-N 3.36Å |
| 342 | E | 83.7 | Confident | 78.2 | Confident | 77 Ų | 77 | 113.7 Ų | 113.7 | 36% | 0.36 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.1 | -43.1 | 174.5 | -177.5 | 59.1 | -158.5 | 0 | 0 | 111.6 | K338 S339 N344 R345 R346 | K338-E342 WeakPolarHBondContact O-CB 3.46Å; K338-E342 PolarHBondContact O-N 3.25Å; S339-E342 PolarHBondContact O-N 3.49Å; E342-N344 PolarHBondContact O-N 3.47Å; E342-R345 PolarHBondContact O-N 3.49Å; E342-R346 WeakPolarHBondContact O-CB 3.33Å; E342-R346 VanDerWaalsContact O-CG 3.29Å; E342-R346 WeakPolarHBondContact O-CG 3.47Å; E342-R346 PolarHBondContact O-N 3.39Å; E342-R346 IonicContact OE1-CZ 2.91Å; E342-R346 IonicContact OE1-NE 3.6Å; E342-R346 PolarHBondContact OE1-NE 3.01Å; E342-R346 IonicContact OE1-NH2 3.64Å; E342-R346 PolarHBondContact OE1-NH2 3.38Å |
| 343 | R | 82.8 | Confident | 79 | Confident | 196 Ų | 196 | 113.7 Ų | 113.7 | 74% | 0.74 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.4 | -45.8 | 172.6 | -176.9 | 178.2 | 179.8 | 168.3 | 1.3 | 111.6 | S339 R346 F347 | S339-R343 WeakPolarHBondContact O-CB 3.36Å; S339-R343 PolarHBondContact O-N 2.9Å; R343-R346 PolarHBondContact O-N 3.29Å; R343-F347 VanDerWaalsContact O-CB 3.26Å; R343-F347 WeakPolarHBondContact O-CB 3.49Å; R343-F347 PolarHBondContact O-N 2.95Å |
| 344 | N | 85.9 | Confident | 79.6 | Confident | 87 Ų | 87 | 106.7 Ų | 106.7 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 176 | -77.1 | -10.1 | 0 | 0 | 0 | 111.5 | A340 N341 E342 F347 F348 | A340-N344 WeakPolarHBondContact O-CB 3.48Å; A340-N344 VanDerWaalsContact O-CG 3.28Å; A340-N344 PolarHBondContact O-N 3.12Å; N341-N344 PolarHBondContact O-N 3.38Å; E342-N344 PolarHBondContact O-N 3.47Å; N344-F347 PolarHBondContact O-N 3.01Å; N344-F348 VanDerWaalsContact O-CB 3.31Å; N344-F348 WeakPolarHBondContact O-CB 3.36Å; N344-F348 WeakPolarHBondContact O-CD2 3.34Å; N344-F348 PolarHBondContact O-N 3.18Å |
| 345 | R | 86.1 | Confident | 80.4 | Confident | 189 Ų | 189 | 105.8 Ų | 105.8 | 71% | 0.713 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 176.2 | -171.5 | 179.5 | 177.4 | -174.2 | -1 | 111.9 | N341 E342 G349 | N341-R345 VanDerWaalsContact O-CB 3.28Å; N341-R345 WeakPolarHBondContact O-CB 3.22Å; N341-R345 PolarHBondContact O-N 3.36Å; E342-R345 PolarHBondContact O-N 3.49Å; R345-G349 WeakPolarHBondContact O-CA 3.42Å; R345-G349 PolarHBondContact O-N 3.34Å |
| 346 | R | 86.8 | Confident | 81.2 | Confident | 172 Ų | 172 | 105.9 Ų | 105.9 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 173.3 | -71.7 | 176.6 | -172.6 | -161.9 | 1 | 111.6 | E342 R343 G349 M350 | E342-R346 WeakPolarHBondContact O-CB 3.33Å; E342-R346 VanDerWaalsContact O-CG 3.29Å; E342-R346 WeakPolarHBondContact O-CG 3.47Å; E342-R346 PolarHBondContact O-N 3.39Å; E342-R346 IonicContact OE1-CZ 2.91Å; E342-R346 IonicContact OE1-NE 3.6Å; E342-R346 PolarHBondContact OE1-NE 3.01Å; E342-R346 IonicContact OE1-NH2 3.64Å; E342-R346 PolarHBondContact OE1-NH2 3.38Å; R343-R346 PolarHBondContact O-N 3.29Å; R346-G349 PolarHBondContact O-N 3Å; R346-M350 WeakPolarHBondContact O-CB 3.21Å; R346-M350 PolarHBondContact O-N 3.22Å |
| 347 | F | 87.9 | Confident | 81.6 | Confident | 107 Ų | 107 | 106.7 Ų | 106.7 | 47% | 0.469 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 178 | -173.8 | -103.4 | 0 | 0 | 0 | 112.1 | R343 N344 G349 M350 M351 | R343-F347 VanDerWaalsContact O-CB 3.26Å; R343-F347 WeakPolarHBondContact O-CB 3.49Å; R343-F347 PolarHBondContact O-N 2.95Å; N344-F347 PolarHBondContact O-N 3.01Å; F347-G349 VanDerWaalsContact C-N 3.35Å; F347-M350 HydrophobicContact CD2-CE 4.12Å; F347-M350 HydrophobicContact CE2-CE 4.27Å; F347-M350 PolarHBondContact O-N 2.8Å; F347-M351 HydrophobicContact CD1-CE 4.17Å; F347-M351 HydrophobicContact CE1-CE 3.36Å; F347-M351 HydrophobicContact CZ-CE 3.67Å; F347-M351 WeakPolarHBondContact O-CB 3.4Å; F347-M351 PolarHBondContact O-N 3.18Å |
| 348 | F | 87.3 | Confident | 81.6 | Confident | 123 Ų | 123 | 106.1 Ų | 106.1 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 173.2 | -93.2 | -79.4 | 0 | 0 | 0 | 112.4 | N344 M351 M352 | N344-F348 VanDerWaalsContact O-CB 3.31Å; N344-F348 WeakPolarHBondContact O-CB 3.36Å; N344-F348 WeakPolarHBondContact O-CD2 3.34Å; N344-F348 PolarHBondContact O-N 3.18Å; F348-M351 PolarHBondContact O-N 2.88Å; F348-M352 WeakPolarHBondContact O-CB 3.35Å; F348-M352 VanDerWaalsContact O-CG 3.29Å; F348-M352 WeakPolarHBondContact O-CG 3.37Å; F348-M352 PolarHBondContact O-N 2.89Å |
| 349 | G | 88.1 | Confident | 81.6 | Confident | 39 Ų | 39 | 103.4 Ų | 103.4 | 40% | 0.402 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R345 R346 F347 M351 M352 N353 | R345-G349 WeakPolarHBondContact O-CA 3.42Å; R345-G349 PolarHBondContact O-N 3.34Å; R346-G349 PolarHBondContact O-N 3Å; F347-G349 VanDerWaalsContact C-N 3.35Å; G349-M351 PolarHBondContact O-N 3.31Å; G349-M352 PolarHBondContact O-N 3.36Å; G349-N353 WeakPolarHBondContact O-CB 3.33Å; G349-N353 PolarHBondContact O-N 3.33Å |
| 350 | M | 87.4 | Confident | 81.3 | Confident | 118 Ų | 118 | 103.9 Ų | 103.9 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.3 | -45.4 | 173.9 | -172.2 | 176.7 | 74.4 | 0 | 0 | 111.1 | R346 F347 N353 T354 | R346-M350 WeakPolarHBondContact O-CB 3.21Å; R346-M350 PolarHBondContact O-N 3.22Å; F347-M350 HydrophobicContact CD2-CE 4.12Å; F347-M350 HydrophobicContact CE2-CE 4.27Å; F347-M350 PolarHBondContact O-N 2.8Å; M350-N353 PolarHBondContact O-N 2.84Å; M350-T354 WeakPolarHBondContact O-CG2 3.35Å; M350-T354 PolarHBondContact O-N 3.4Å; M350-T354 PolarHBondContact O-OG1 3.48Å |
| 351 | M | 86.9 | Confident | 80.6 | Confident | 75 Ų | 75 | 106 Ų | 106 | 37% | 0.369 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 179 | -168.1 | 175.6 | -66.8 | 0 | 0 | 113 | F347 F348 G349 N353 T354 L355 | F347-M351 HydrophobicContact CD1-CE 4.17Å; F347-M351 HydrophobicContact CE1-CE 3.36Å; F347-M351 HydrophobicContact CZ-CE 3.67Å; F347-M351 WeakPolarHBondContact O-CB 3.4Å; F347-M351 PolarHBondContact O-N 3.18Å; F348-M351 PolarHBondContact O-N 2.88Å; G349-M351 PolarHBondContact O-N 3.31Å; M351-N353 VanDerWaalsContact C-N 3.32Å; M351-T354 VanDerWaalsContact C-OG1 3.3Å; M351-T354 VanDerWaalsContact CA-OG1 3.23Å; M351-T354 WeakPolarHBondContact CA-OG1 3.31Å; M351-T354 PolarHBondContact O-N 3.46Å; M351-T354 PolarHBondContact O-OG1 2.87Å; M351-L355 HydrophobicContact CG-CD1 4.4Å; M351-L355 WeakPolarHBondContact O-CB 3.24Å; M351-L355 VanDerWaalsContact O-CG 3.28Å; M351-L355 WeakPolarHBondContact O-CG 3.41Å; M351-L355 PolarHBondContact O-N 2.94Å |
| 352 | M | 85.4 | Confident | 80 | Confident | 103 Ų | 103 | 103.2 Ų | 103.2 | 51% | 0.507 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 174.8 | -75.9 | -70 | 152.9 | 0 | 0 | 111.8 | F348 G349 L355 R356 | F348-M352 WeakPolarHBondContact O-CB 3.35Å; F348-M352 VanDerWaalsContact O-CG 3.29Å; F348-M352 WeakPolarHBondContact O-CG 3.37Å; F348-M352 PolarHBondContact O-N 2.89Å; G349-M352 PolarHBondContact O-N 3.36Å; M352-L355 HydrophobicContact CE-CD1 4.12Å; M352-L355 PolarHBondContact O-N 2.83Å; M352-L355 HydrophobicContact SD-CD1 4.2Å; M352-R356 VanDerWaalsContact O-CG 3.31Å; M352-R356 WeakPolarHBondContact O-CG 3.24Å; M352-R356 PolarHBondContact O-N 2.89Å |
| 353 | N | 83.8 | Confident | 79.1 | Confident | 103 Ų | 103 | 104.5 Ų | 104.5 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.6 | -43.7 | 173.5 | -140.7 | 39.1 | 0 | 0 | 0 | 110.6 | G349 M350 M351 L355 R356 T357 | G349-N353 WeakPolarHBondContact O-CB 3.33Å; G349-N353 PolarHBondContact O-N 3.33Å; M350-N353 PolarHBondContact O-N 2.84Å; M351-N353 VanDerWaalsContact C-N 3.32Å; N353-L355 VanDerWaalsContact C-N 3.32Å; N353-L355 PolarHBondContact O-N 2.98Å; N353-R356 PolarHBondContact O-N 3.49Å; N353-T357 WeakPolarHBondContact O-CG2 3.36Å; N353-T357 PolarHBondContact O-N 3.45Å; N353-T357 PolarHBondContact O-OG1 2.84Å |
| 354 | T | 78.2 | Confident | 78.4 | Confident | 58 Ų | 58 | 102.2 Ų | 102.2 | 36% | 0.356 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 174.2 | 52.3 | 0 | 0 | 0 | 0 | 112 | M350 M351 T357 F358 | M350-T354 WeakPolarHBondContact O-CG2 3.35Å; M350-T354 PolarHBondContact O-N 3.4Å; M350-T354 PolarHBondContact O-OG1 3.48Å; M351-T354 VanDerWaalsContact C-OG1 3.3Å; M351-T354 VanDerWaalsContact CA-OG1 3.23Å; M351-T354 WeakPolarHBondContact CA-OG1 3.31Å; M351-T354 PolarHBondContact O-N 3.46Å; M351-T354 PolarHBondContact O-OG1 2.87Å; T354-T357 VanDerWaalsContact CA-OG1 3.3Å; T354-T357 WeakPolarHBondContact CA-OG1 3.41Å; T354-T357 PolarHBondContact O-N 3.24Å; T354-T357 PolarHBondContact O-OG1 3.34Å; T354-F358 WeakPolarHBondContact O-CB 3.43Å; T354-F358 WeakPolarHBondContact O-CD2 3.36Å; T354-F358 WeakPolarHBondContact O-CG 3.38Å; T354-F358 PolarHBondContact O-N 3Å |
| 355 | L | 80.5 | Confident | 77.6 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 40% | 0.403 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 174.3 | -75.8 | 166 | 0 | 0 | 0 | 111.6 | M351 M352 N353 F358 D359 | M351-L355 HydrophobicContact CG-CD1 4.4Å; M351-L355 WeakPolarHBondContact O-CB 3.24Å; M351-L355 VanDerWaalsContact O-CG 3.28Å; M351-L355 WeakPolarHBondContact O-CG 3.41Å; M351-L355 PolarHBondContact O-N 2.94Å; M352-L355 HydrophobicContact CE-CD1 4.12Å; M352-L355 PolarHBondContact O-N 2.83Å; M352-L355 HydrophobicContact SD-CD1 4.2Å; N353-L355 VanDerWaalsContact C-N 3.32Å; N353-L355 PolarHBondContact O-N 2.98Å; L355-F358 WeakPolarHBondContact O-CB 3.38Å; L355-F358 PolarHBondContact O-N 3.4Å; L355-D359 VanDerWaalsContact O-CG 3.31Å; L355-D359 PolarHBondContact O-N 2.87Å |
| 356 | R | 79.4 | Confident | 76.9 | Confident | 178 Ų | 178 | 94.5 Ų | 94.5 | 67% | 0.672 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.2 | -38.6 | 174.2 | -74.4 | 175.9 | -179.8 | -167.1 | -1.1 | 112.5 | M352 N353 F358 D359 S360 | M352-R356 VanDerWaalsContact O-CG 3.31Å; M352-R356 WeakPolarHBondContact O-CG 3.24Å; M352-R356 PolarHBondContact O-N 2.89Å; N353-R356 PolarHBondContact O-N 3.49Å; R356-F358 VanDerWaalsContact C-N 3.34Å; R356-D359 PolarHBondContact O-N 2.86Å; R356-S360 WeakPolarHBondContact O-CB 3.22Å; R356-S360 PolarHBondContact O-N 2.82Å; R356-S360 PolarHBondContact O-OG 3.33Å |
| 357 | T | 71.3 | Confident | 76.4 | Confident | 53 Ų | 53 | 91.6 Ų | 91.6 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 173.8 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | N353 T354 D359 S360 E361 | N353-T357 WeakPolarHBondContact O-CG2 3.36Å; N353-T357 PolarHBondContact O-N 3.45Å; N353-T357 PolarHBondContact O-OG1 2.84Å; T354-T357 VanDerWaalsContact CA-OG1 3.3Å; T354-T357 WeakPolarHBondContact CA-OG1 3.41Å; T354-T357 PolarHBondContact O-N 3.24Å; T354-T357 PolarHBondContact O-OG1 3.34Å; T357-D359 VanDerWaalsContact C-N 3.32Å; T357-D359 PolarHBondContact O-N 3.45Å; T357-S360 WeakPolarHBondContact CA-OG 3.48Å; T357-S360 PolarHBondContact O-N 3.06Å; T357-S360 PolarHBondContact O-OG 2.85Å; T357-S360 VanDerWaalsContact O-OG 3.09Å; T357-E361 WeakPolarHBondContact O-CB 3.21Å; T357-E361 WeakPolarHBondContact O-CG 3.38Å; T357-E361 PolarHBondContact O-N 2.93Å |
| 358 | F | 68.5 | Low | 76 | Confident | 72 Ų | 72 | 91 Ų | 91 | 32% | 0.316 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 171.6 | -76 | -59.9 | 0 | 0 | 0 | 112.5 | T354 L355 R356 F366 | T354-F358 WeakPolarHBondContact O-CB 3.43Å; T354-F358 WeakPolarHBondContact O-CD2 3.36Å; T354-F358 WeakPolarHBondContact O-CG 3.38Å; T354-F358 PolarHBondContact O-N 3Å; L355-F358 WeakPolarHBondContact O-CB 3.38Å; L355-F358 PolarHBondContact O-N 3.4Å; R356-F358 VanDerWaalsContact C-N 3.34Å; F358-F366 HydrophobicContact CB-CE2 4.34Å; F358-F366 HydrophobicContact CB-CZ 4.04Å; F358-F366 AromaticContact CD1-CE1 3.64Å; F358-F366 HydrophobicContact CD1-CE1 3.64Å; F358-F366 AromaticContact CD1-CE2 3.94Å; F358-F366 HydrophobicContact CD1-CE2 3.94Å; F358-F366 AromaticContact CD1-CZ 3.28Å; F358-F366 HydrophobicContact CD1-CZ 3.28Å; F358-F366 AromaticContact CE1-CE1 3.89Å; F358-F366 HydrophobicContact CE1-CE1 3.89Å; F358-F366 HydrophobicContact CE1-CZ 4.02Å; F358-F366 AromaticContact CG-CZ 3.96Å; F358-F366 HydrophobicContact CG-CZ 3.96Å |
| 359 | D | 71.7 | Confident | 75.6 | Confident | 136 Ų | 136 | 88.4 Ų | 88.4 | 73% | 0.727 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.9 | -34.5 | 176.5 | -67.7 | -25.5 | 0 | 0 | 0 | 112.1 | L355 R356 T357 | L355-D359 VanDerWaalsContact O-CG 3.31Å; L355-D359 PolarHBondContact O-N 2.87Å; R356-D359 PolarHBondContact O-N 2.86Å; T357-D359 VanDerWaalsContact C-N 3.32Å; T357-D359 PolarHBondContact O-N 3.45Å |
| 360 | S | 70.7 | Confident | 75.4 | Confident | 94 Ų | 94 | 89.3 Ų | 89.3 | 66% | 0.657 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -84 | -28.6 | -179.1 | 64.8 | 0 | 0 | 0 | 0 | 114.6 | R356 T357 G362 | R356-S360 WeakPolarHBondContact O-CB 3.22Å; R356-S360 PolarHBondContact O-N 2.82Å; R356-S360 PolarHBondContact O-OG 3.33Å; T357-S360 WeakPolarHBondContact CA-OG 3.48Å; T357-S360 PolarHBondContact O-N 3.06Å; T357-S360 PolarHBondContact O-OG 2.85Å; T357-S360 VanDerWaalsContact O-OG 3.09Å; S360-G362 PolarHBondContact O-N 3.36Å |
| 361 | E | 61.9 | Low | 75.3 | Confident | 82 Ų | 82 | 89.8 Ų | 89.8 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -76.2 | -5.6 | -176.9 | -78.9 | 179.6 | -163.5 | 0 | 0 | 113.3 | T357 G365 Q369 | T357-E361 WeakPolarHBondContact O-CB 3.21Å; T357-E361 WeakPolarHBondContact O-CG 3.38Å; T357-E361 PolarHBondContact O-N 2.93Å; E361-G365 PolarHBondContact O-N 3.37Å; E361-Q369 PolarHBondContact OE2-NE2 3.14Å |
| 362 | G | 64.9 | Low | 75.2 | Confident | 29 Ų | 29 | 92.5 Ų | 92.5 | 30% | 0.299 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | 56.1 | -174.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S360 E364 F366 | S360-G362 PolarHBondContact O-N 3.36Å; G362-E364 PolarHBondContact O-N 2.83Å; G362-F366 WeakPolarHBondContact O-CD2 3.34Å |
| 363 | P | 65.9 | Low | 75.3 | Confident | 104 Ų | 104 | 93.5 Ų | 93.5 | 68% | 0.675 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61 | -23.2 | 177.2 | 24.2 | -33 | 0 | 0 | 0 | 113.3 | E367 | P363-E367 PolarHBondContact O-N 3.44Å |
| 364 | E | 68.4 | Low | 75.5 | Confident | 148 Ų | 148 | 96.6 Ų | 96.6 | 69% | 0.692 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72.6 | -39.2 | -176.9 | -62.1 | -175.1 | 176.6 | 0 | 0 | 113.2 | G362 E367 I368 | G362-E364 PolarHBondContact O-N 2.83Å; E364-E367 WeakPolarHBondContact O-CB 3.37Å; E364-E367 PolarHBondContact O-N 3.35Å; E364-I368 WeakPolarHBondContact O-CG1 3.27Å; E364-I368 PolarHBondContact O-N 2.85Å |
| 365 | G | 68.4 | Low | 76 | Confident | 11 Ų | 11 | 98.6 Ų | 98.6 | 11% | 0.113 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E361 E367 I368 Q369 | E361-G365 PolarHBondContact O-N 3.37Å; G365-E367 VanDerWaalsContact C-N 3.33Å; G365-E367 PolarHBondContact O-N 3.45Å; G365-I368 PolarHBondContact O-N 3.48Å; G365-Q369 WeakPolarHBondContact O-CG 3.01Å; G365-Q369 PolarHBondContact O-N 2.81Å |
| 366 | F | 70.9 | Confident | 76.3 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 45% | 0.452 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 171.7 | -80.6 | -82.2 | 0 | 0 | 0 | 112 | F358 G362 Q369 A370 | F358-F366 HydrophobicContact CB-CE2 4.34Å; F358-F366 HydrophobicContact CB-CZ 4.04Å; F358-F366 AromaticContact CD1-CE1 3.64Å; F358-F366 HydrophobicContact CD1-CE1 3.64Å; F358-F366 AromaticContact CD1-CE2 3.94Å; F358-F366 HydrophobicContact CD1-CE2 3.94Å; F358-F366 AromaticContact CD1-CZ 3.28Å; F358-F366 HydrophobicContact CD1-CZ 3.28Å; F358-F366 AromaticContact CE1-CE1 3.89Å; F358-F366 HydrophobicContact CE1-CE1 3.89Å; F358-F366 HydrophobicContact CE1-CZ 4.02Å; F358-F366 AromaticContact CG-CZ 3.96Å; F358-F366 HydrophobicContact CG-CZ 3.96Å; G362-F366 WeakPolarHBondContact O-CD2 3.34Å; F366-Q369 PolarHBondContact O-N 3.46Å; F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 3.01Å |
| 367 | E | 76.9 | Confident | 76.8 | Confident | 111 Ų | 111 | 91.9 Ų | 91.9 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 175.4 | -75.1 | -172.1 | -169.5 | 0 | 0 | 112.5 | P363 E364 G365 K371 | P363-E367 PolarHBondContact O-N 3.44Å; E364-E367 WeakPolarHBondContact O-CB 3.37Å; E364-E367 PolarHBondContact O-N 3.35Å; G365-E367 VanDerWaalsContact C-N 3.33Å; G365-E367 PolarHBondContact O-N 3.45Å; E367-K371 WeakPolarHBondContact O-CB 3.25Å; E367-K371 WeakPolarHBondContact O-CD 3.5Å; E367-K371 WeakPolarHBondContact O-CG 3.31Å; E367-K371 PolarHBondContact O-N 3.49Å; E367-K371 IonicContact OE2-NZ 3.47Å |
| 368 | I | 80 | Confident | 77.7 | Confident | 94 Ų | 94 | 92.1 Ų | 92.1 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 177.7 | -65 | 165.7 | 0 | 0 | 0 | 110.6 | E364 G365 K371 K372 | E364-I368 WeakPolarHBondContact O-CG1 3.27Å; E364-I368 PolarHBondContact O-N 2.85Å; G365-I368 PolarHBondContact O-N 3.48Å; I368-K371 PolarHBondContact O-N 2.96Å; I368-K372 WeakPolarHBondContact O-CG 3.49Å; I368-K372 PolarHBondContact O-N 3.34Å |
| 369 | Q | 79.2 | Confident | 78.7 | Confident | 69 Ų | 69 | 96.5 Ų | 96.5 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.4 | -68.2 | -178.1 | 26.8 | 0 | 0 | 111.3 | E361 G365 F366 K371 K372 I373 | E361-Q369 PolarHBondContact OE2-NE2 3.14Å; G365-Q369 WeakPolarHBondContact O-CG 3.01Å; G365-Q369 PolarHBondContact O-N 2.81Å; F366-Q369 PolarHBondContact O-N 3.46Å; Q369-K371 VanDerWaalsContact C-N 3.34Å; Q369-K371 PolarHBondContact O-N 3.19Å; Q369-K372 PolarHBondContact O-N 3.29Å; Q369-I373 VanDerWaalsContact O-CG1 3.3Å; Q369-I373 WeakPolarHBondContact O-CG1 3.43Å; Q369-I373 PolarHBondContact O-N 3.37Å |
| 370 | A | 83 | Confident | 79.6 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F366 I373 K374 | F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 3.01Å; A370-I373 PolarHBondContact O-N 2.9Å; A370-K374 VanDerWaalsContact O-CB 3.27Å; A370-K374 WeakPolarHBondContact O-CB 3.31Å; A370-K374 PolarHBondContact O-N 3.3Å |
| 371 | K | 84.7 | Confident | 80.5 | Confident | 129 Ų | 129 | 94.7 Ų | 94.7 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -44.9 | 173.1 | -75.6 | 166.1 | -171.4 | 165.7 | 0 | 111.4 | E367 I368 Q369 K374 E375 | E367-K371 WeakPolarHBondContact O-CB 3.25Å; E367-K371 WeakPolarHBondContact O-CD 3.5Å; E367-K371 WeakPolarHBondContact O-CG 3.31Å; E367-K371 PolarHBondContact O-N 3.49Å; E367-K371 IonicContact OE2-NZ 3.47Å; I368-K371 PolarHBondContact O-N 2.96Å; Q369-K371 VanDerWaalsContact C-N 3.34Å; Q369-K371 PolarHBondContact O-N 3.19Å; K371-K374 PolarHBondContact O-N 2.68Å; K371-E375 WeakPolarHBondContact O-CB 3.29Å; K371-E375 PolarHBondContact O-N 2.89Å |
| 372 | K | 86.4 | Confident | 81.9 | Confident | 132 Ų | 132 | 93 Ų | 93 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 175.8 | -73.1 | 178.6 | -179.9 | -179.4 | 0 | 112.4 | I368 Q369 K374 E375 V376 | I368-K372 WeakPolarHBondContact O-CG 3.49Å; I368-K372 PolarHBondContact O-N 3.34Å; Q369-K372 PolarHBondContact O-N 3.29Å; K372-K374 VanDerWaalsContact C-N 3.31Å; K372-K374 PolarHBondContact O-N 2.96Å; K372-E375 PolarHBondContact O-N 2.94Å; K372-V376 WeakPolarHBondContact O-CB 3.24Å; K372-V376 VanDerWaalsContact O-CG2 3.29Å; K372-V376 WeakPolarHBondContact O-CG2 3.4Å; K372-V376 PolarHBondContact O-N 3.48Å |
| 373 | I | 85.7 | Confident | 83.1 | Confident | 123 Ų | 123 | 96.7 Ų | 96.7 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -40.5 | 176.6 | -67.6 | 166.1 | 0 | 0 | 0 | 110.5 | Q369 A370 G377 | Q369-I373 VanDerWaalsContact O-CG1 3.3Å; Q369-I373 WeakPolarHBondContact O-CG1 3.43Å; Q369-I373 PolarHBondContact O-N 3.37Å; A370-I373 PolarHBondContact O-N 2.9Å; I373-G377 PolarHBondContact O-N 2.91Å |
| 374 | K | 89.2 | Confident | 84.3 | Confident | 168 Ų | 168 | 98.3 Ų | 98.3 | 73% | 0.73 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 176 | -172.1 | 179 | 179.9 | -177.4 | 0 | 112 | A370 K371 K372 G377 A378 | A370-K374 VanDerWaalsContact O-CB 3.27Å; A370-K374 WeakPolarHBondContact O-CB 3.31Å; A370-K374 PolarHBondContact O-N 3.3Å; K371-K374 PolarHBondContact O-N 2.68Å; K372-K374 VanDerWaalsContact C-N 3.31Å; K372-K374 PolarHBondContact O-N 2.96Å; K374-G377 PolarHBondContact O-N 3.29Å; K374-A378 WeakPolarHBondContact O-CB 3.15Å; K374-A378 PolarHBondContact O-N 3.4Å |
| 375 | E | 88.7 | Confident | 85.4 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 176.4 | -172.5 | -178.4 | 172.6 | 0 | 0 | 111.8 | K371 K372 G377 A378 R379 | K371-E375 WeakPolarHBondContact O-CB 3.29Å; K371-E375 PolarHBondContact O-N 2.89Å; K372-E375 PolarHBondContact O-N 2.94Å; E375-G377 VanDerWaalsContact C-N 3.33Å; E375-G377 PolarHBondContact O-N 3.39Å; E375-A378 PolarHBondContact O-N 3.28Å; E375-R379 WeakPolarHBondContact O-CG 3.12Å; E375-R379 PolarHBondContact O-N 3.37Å; E375-R379 IonicContact OE1-CZ 3.51Å; E375-R379 IonicContact OE1-NE 3.68Å; E375-R379 IonicContact OE1-NH2 3.43Å; E375-R379 PolarHBondContact OE1-NH2 3.02Å |
| 376 | V | 87.2 | Confident | 86.6 | Confident | 82 Ų | 82 | 100.5 Ų | 100.5 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.2 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | K372 A378 R379 L380 | K372-V376 WeakPolarHBondContact O-CB 3.24Å; K372-V376 VanDerWaalsContact O-CG2 3.29Å; K372-V376 WeakPolarHBondContact O-CG2 3.4Å; K372-V376 PolarHBondContact O-N 3.48Å; V376-A378 PolarHBondContact O-N 2.92Å; V376-R379 PolarHBondContact O-N 2.9Å; V376-L380 HydrophobicContact CG1-CD1 3.93Å; V376-L380 HydrophobicContact CG1-CG 4.38Å; V376-L380 WeakPolarHBondContact O-CB 3.49Å; V376-L380 WeakPolarHBondContact O-CG 3.5Å; V376-L380 PolarHBondContact O-N 3.13Å |
| 377 | G | 88.3 | Confident | 87.6 | Confident | 33 Ų | 33 | 100.8 Ų | 100.8 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I373 K374 E375 L380 E381 | I373-G377 PolarHBondContact O-N 2.91Å; K374-G377 PolarHBondContact O-N 3.29Å; E375-G377 VanDerWaalsContact C-N 3.33Å; E375-G377 PolarHBondContact O-N 3.39Å; G377-L380 PolarHBondContact O-N 2.92Å; G377-E381 WeakPolarHBondContact O-CB 3.25Å; G377-E381 PolarHBondContact O-N 3.47Å |
| 378 | A | 90.8 | Very high | 88.4 | Confident | 57 Ų | 57 | 104.2 Ų | 104.2 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K374 E375 V376 E381 A382 | K374-A378 WeakPolarHBondContact O-CB 3.15Å; K374-A378 PolarHBondContact O-N 3.4Å; E375-A378 PolarHBondContact O-N 3.28Å; V376-A378 PolarHBondContact O-N 2.92Å; A378-E381 PolarHBondContact O-N 3.41Å; A378-A382 PolarHBondContact O-N 2.89Å |
| 379 | R | 90.6 | Very high | 89 | Confident | 165 Ų | 165 | 105.8 Ų | 105.8 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 174.9 | -70.5 | -178.2 | -172 | -161.7 | 3.6 | 112 | E375 V376 E381 A382 E383 | E375-R379 WeakPolarHBondContact O-CG 3.12Å; E375-R379 PolarHBondContact O-N 3.37Å; E375-R379 IonicContact OE1-CZ 3.51Å; E375-R379 IonicContact OE1-NE 3.68Å; E375-R379 IonicContact OE1-NH2 3.43Å; E375-R379 PolarHBondContact OE1-NH2 3.02Å; V376-R379 PolarHBondContact O-N 2.9Å; R379-E381 VanDerWaalsContact C-N 3.28Å; R379-E381 PolarHBondContact O-N 3Å; R379-A382 PolarHBondContact O-N 3.45Å; R379-E383 PolarHBondContact O-N 3.39Å |
| 380 | L | 89.6 | Confident | 89.8 | Confident | 76 Ų | 76 | 108.1 Ų | 108.1 | 40% | 0.398 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.9 | -27.5 | 177.3 | -72.7 | 172.5 | 0 | 0 | 0 | 113.1 | V376 G377 R384 | V376-L380 HydrophobicContact CG1-CD1 3.93Å; V376-L380 HydrophobicContact CG1-CG 4.38Å; V376-L380 WeakPolarHBondContact O-CB 3.49Å; V376-L380 WeakPolarHBondContact O-CG 3.5Å; V376-L380 PolarHBondContact O-N 3.13Å; G377-L380 PolarHBondContact O-N 2.92Å; L380-R384 WeakPolarHBondContact O-CB 3.4Å; L380-R384 VanDerWaalsContact O-CG 3.31Å; L380-R384 WeakPolarHBondContact O-CG 3.21Å; L380-R384 PolarHBondContact O-N 3.45Å; L380-R384 PolarHBondContact O-NE 2.8Å |
| 381 | E | 89.3 | Confident | 90.2 | Very high | 116 Ų | 116 | 108.7 Ų | 108.7 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.8 | -42.8 | 173.9 | -172.4 | 160.5 | -145.7 | 0 | 0 | 111.4 | G377 A378 R379 E383 R384 E385 | G377-E381 WeakPolarHBondContact O-CB 3.25Å; G377-E381 PolarHBondContact O-N 3.47Å; A378-E381 PolarHBondContact O-N 3.41Å; R379-E381 VanDerWaalsContact C-N 3.28Å; R379-E381 PolarHBondContact O-N 3Å; E381-E383 PolarHBondContact O-N 3.29Å; E381-R384 PolarHBondContact O-N 2.81Å; E381-E385 WeakPolarHBondContact O-CG 3.37Å; E381-E385 PolarHBondContact O-N 3.07Å |
| 382 | A | 91.5 | Very high | 90.7 | Very high | 45 Ų | 45 | 104.7 Ų | 104.7 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A378 R379 R384 E385 E386 | A378-A382 PolarHBondContact O-N 2.89Å; R379-A382 PolarHBondContact O-N 3.45Å; A382-R384 PolarHBondContact O-N 3.34Å; A382-E385 PolarHBondContact O-N 2.99Å; A382-E386 WeakPolarHBondContact O-CG 3.37Å; A382-E386 PolarHBondContact O-N 3.2Å |
| 383 | E | 91.1 | Very high | 91.1 | Very high | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 176.5 | -172.3 | 172.1 | -157.2 | 0 | 0 | 111.7 | R379 E381 E385 E386 E387 | R379-E383 PolarHBondContact O-N 3.39Å; E381-E383 PolarHBondContact O-N 3.29Å; E383-E385 VanDerWaalsContact C-N 3.34Å; E383-E385 PolarHBondContact O-N 3.04Å; E383-E386 PolarHBondContact O-N 3.02Å; E383-E387 WeakPolarHBondContact O-CG 3.35Å; E383-E387 PolarHBondContact O-N 2.88Å |
| 384 | R | 91.2 | Very high | 91.6 | Very high | 138 Ų | 138 | 102.9 Ų | 102.9 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 174.2 | -81.9 | -174.5 | -112.8 | 153.6 | -7.1 | 113.2 | L380 E381 A382 R388 | L380-R384 WeakPolarHBondContact O-CB 3.4Å; L380-R384 VanDerWaalsContact O-CG 3.31Å; L380-R384 WeakPolarHBondContact O-CG 3.21Å; L380-R384 PolarHBondContact O-N 3.45Å; L380-R384 PolarHBondContact O-NE 2.8Å; E381-R384 PolarHBondContact O-N 2.81Å; A382-R384 PolarHBondContact O-N 3.34Å; R384-R388 WeakPolarHBondContact O-CB 3.22Å; R384-R388 WeakPolarHBondContact O-CG 3.5Å; R384-R388 PolarHBondContact O-N 2.94Å |
| 385 | E | 91.5 | Very high | 91.8 | Very high | 98 Ų | 98 | 101.1 Ų | 101.1 | 46% | 0.458 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 175.1 | -75.1 | -172.9 | 178.9 | 0 | 0 | 112 | E381 A382 E383 R388 K389 | E381-E385 WeakPolarHBondContact O-CG 3.37Å; E381-E385 PolarHBondContact O-N 3.07Å; A382-E385 PolarHBondContact O-N 2.99Å; E383-E385 VanDerWaalsContact C-N 3.34Å; E383-E385 PolarHBondContact O-N 3.04Å; E385-R388 PolarHBondContact O-N 2.9Å; E385-K389 WeakPolarHBondContact O-CG 3.36Å; E385-K389 PolarHBondContact O-N 3.39Å |
| 386 | E | 92.7 | Very high | 92 | Very high | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 174.4 | -73 | 179.6 | -166.7 | 0 | 0 | 112 | A382 E383 R388 K389 K390 | A382-E386 WeakPolarHBondContact O-CG 3.37Å; A382-E386 PolarHBondContact O-N 3.2Å; E383-E386 PolarHBondContact O-N 3.02Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 2.92Å; E386-K389 PolarHBondContact O-N 3.11Å; E386-K390 WeakPolarHBondContact O-CG 3.3Å; E386-K390 PolarHBondContact O-N 3.16Å |
| 387 | E | 92.3 | Very high | 92.4 | Very high | 109 Ų | 109 | 103.6 Ų | 103.6 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 174.2 | -73.1 | -178.2 | 166 | 0 | 0 | 111.9 | E383 K389 K390 V391 | E383-E387 WeakPolarHBondContact O-CG 3.35Å; E383-E387 PolarHBondContact O-N 2.88Å; E387-K389 VanDerWaalsContact C-N 3.33Å; E387-K389 PolarHBondContact O-N 2.97Å; E387-K390 PolarHBondContact O-N 3.04Å; E387-V391 VanDerWaalsContact O-CG2 3.31Å; E387-V391 WeakPolarHBondContact O-CG2 3.46Å; E387-V391 PolarHBondContact O-N 3.43Å |
| 388 | R | 92.5 | Very high | 92.7 | Very high | 183 Ų | 183 | 105.9 Ų | 105.9 | 69% | 0.691 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -40.6 | 175.9 | -77.9 | 173.4 | 179.7 | -175.3 | 1.2 | 112.4 | R384 E385 E386 A392 | R384-R388 WeakPolarHBondContact O-CB 3.22Å; R384-R388 WeakPolarHBondContact O-CG 3.5Å; R384-R388 PolarHBondContact O-N 2.94Å; E385-R388 PolarHBondContact O-N 2.9Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 2.92Å; R388-A392 WeakPolarHBondContact O-CB 3.32Å; R388-A392 PolarHBondContact O-N 3.42Å |
| 389 | K | 94.4 | Very high | 92.9 | Very high | 127 Ų | 127 | 107 Ų | 107 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -46.8 | 175.8 | -73.7 | 171.6 | -176.2 | 171.4 | 0 | 111.3 | E385 E386 E387 V391 A392 E393 | E385-K389 WeakPolarHBondContact O-CG 3.36Å; E385-K389 PolarHBondContact O-N 3.39Å; E386-K389 PolarHBondContact O-N 3.11Å; E387-K389 VanDerWaalsContact C-N 3.33Å; E387-K389 PolarHBondContact O-N 2.97Å; K389-V391 PolarHBondContact O-N 3.23Å; K389-A392 PolarHBondContact O-N 3.44Å; K389-A392 VanDerWaalsContact O-N 3.12Å; K389-E393 WeakPolarHBondContact O-CG 3.23Å; K389-E393 PolarHBondContact O-N 3.43Å |
| 390 | K | 94.7 | Very high | 92.9 | Very high | 117 Ų | 117 | 104.5 Ų | 104.5 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.1 | -47.3 | 176.2 | -71.1 | 172.3 | -174.4 | 172.2 | 0 | 111.8 | E386 E387 A392 E393 E394 | E386-K390 WeakPolarHBondContact O-CG 3.3Å; E386-K390 PolarHBondContact O-N 3.16Å; E387-K390 PolarHBondContact O-N 3.04Å; K390-A392 VanDerWaalsContact C-N 3.33Å; K390-A392 PolarHBondContact O-N 2.95Å; K390-E393 PolarHBondContact O-N 3.46Å; K390-E394 WeakPolarHBondContact O-CB 3.46Å; K390-E394 WeakPolarHBondContact O-CG 3.49Å; K390-E394 PolarHBondContact O-N 2.96Å |
| 391 | V | 92.7 | Very high | 93.2 | Very high | 69 Ų | 69 | 106 Ų | 106 | 42% | 0.418 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | E387 K389 K395 | E387-V391 VanDerWaalsContact O-CG2 3.31Å; E387-V391 WeakPolarHBondContact O-CG2 3.46Å; E387-V391 PolarHBondContact O-N 3.43Å; K389-V391 PolarHBondContact O-N 3.23Å; V391-K395 HydrophobicContact CG1-CD 4.21Å; V391-K395 WeakPolarHBondContact O-CB 3.36Å; V391-K395 WeakPolarHBondContact O-CG 3.5Å; V391-K395 PolarHBondContact O-N 3.45Å |
| 392 | A | 94.5 | Very high | 93.3 | Very high | 45 Ų | 45 | 106.1 Ų | 106.1 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R388 K389 K390 K395 Q396 | R388-A392 WeakPolarHBondContact O-CB 3.32Å; R388-A392 PolarHBondContact O-N 3.42Å; K389-A392 PolarHBondContact O-N 3.44Å; K389-A392 VanDerWaalsContact O-N 3.12Å; K390-A392 VanDerWaalsContact C-N 3.33Å; K390-A392 PolarHBondContact O-N 2.95Å; A392-K395 PolarHBondContact O-N 3.03Å; A392-Q396 WeakPolarHBondContact O-CG 3.4Å; A392-Q396 PolarHBondContact O-N 2.95Å |
| 393 | E | 95.5 | Very high | 93.2 | Very high | 100 Ų | 100 | 107.2 Ų | 107.2 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.6 | -71.7 | 174.4 | -163.2 | 0 | 0 | 111.9 | K389 K390 K395 Q396 K397 | K389-E393 WeakPolarHBondContact O-CG 3.23Å; K389-E393 PolarHBondContact O-N 3.43Å; K390-E393 PolarHBondContact O-N 3.46Å; E393-K395 VanDerWaalsContact C-N 3.34Å; E393-K395 PolarHBondContact O-N 3Å; E393-Q396 PolarHBondContact O-N 2.88Å; E393-K397 WeakPolarHBondContact O-CB 3.32Å; E393-K397 VanDerWaalsContact O-CG 3.29Å; E393-K397 WeakPolarHBondContact O-CG 3.46Å; E393-K397 PolarHBondContact O-N 2.61Å |
| 394 | E | 94.5 | Very high | 93.2 | Very high | 117 Ų | 117 | 107.8 Ų | 107.8 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 175.2 | -75.1 | 176.4 | -175.4 | 0 | 0 | 111.7 | K390 K397 I398 | K390-E394 WeakPolarHBondContact O-CB 3.46Å; K390-E394 WeakPolarHBondContact O-CG 3.49Å; K390-E394 PolarHBondContact O-N 2.96Å; E394-K397 PolarHBondContact O-N 3.19Å; E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.41Å; E394-I398 PolarHBondContact O-N 3.38Å |
| 395 | K | 94.1 | Very high | 93.3 | Very high | 131 Ų | 131 | 105 Ų | 105 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.5 | -45.7 | 174.2 | -77.3 | 175.7 | 178.7 | -173 | 0 | 111.9 | V391 A392 E393 I398 I399 | V391-K395 HydrophobicContact CG1-CD 4.21Å; V391-K395 WeakPolarHBondContact O-CB 3.36Å; V391-K395 WeakPolarHBondContact O-CG 3.5Å; V391-K395 PolarHBondContact O-N 3.45Å; A392-K395 PolarHBondContact O-N 3.03Å; E393-K395 VanDerWaalsContact C-N 3.34Å; E393-K395 PolarHBondContact O-N 3Å; K395-I398 PolarHBondContact O-N 3.47Å; K395-I399 VanDerWaalsContact O-CG1 3.31Å; K395-I399 WeakPolarHBondContact O-CG1 3.38Å; K395-I399 PolarHBondContact O-N 3.44Å |
| 396 | Q | 93.3 | Very high | 93.2 | Very high | 119 Ų | 119 | 105.4 Ų | 105.4 | 56% | 0.556 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.4 | -47 | 176.9 | -75.5 | 175.3 | -12.4 | 0 | 0 | 111.4 | A392 E393 I398 I399 E400 | A392-Q396 WeakPolarHBondContact O-CG 3.4Å; A392-Q396 PolarHBondContact O-N 2.95Å; E393-Q396 PolarHBondContact O-N 2.88Å; Q396-I398 VanDerWaalsContact C-N 3.31Å; Q396-I398 PolarHBondContact O-N 3.4Å; Q396-I399 PolarHBondContact O-N 2.88Å; Q396-I399 VanDerWaalsContact O-N 3.14Å; Q396-E400 WeakPolarHBondContact O-CG 3.08Å; Q396-E400 PolarHBondContact O-N 3.21Å |
| 397 | K | 94.9 | Very high | 93.1 | Very high | 116 Ų | 116 | 102.7 Ų | 102.7 | 50% | 0.504 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.4 | -42.2 | 175.6 | -72.3 | 170.6 | -175.1 | 173.1 | 0 | 112.3 | E393 E394 E400 Q401 | E393-K397 WeakPolarHBondContact O-CB 3.32Å; E393-K397 VanDerWaalsContact O-CG 3.29Å; E393-K397 WeakPolarHBondContact O-CG 3.46Å; E393-K397 PolarHBondContact O-N 2.61Å; E394-K397 PolarHBondContact O-N 3.19Å; K397-E400 PolarHBondContact O-N 3.39Å; K397-Q401 WeakPolarHBondContact O-CB 3.45Å; K397-Q401 VanDerWaalsContact O-CG 3.24Å; K397-Q401 WeakPolarHBondContact O-CG 3.32Å; K397-Q401 PolarHBondContact O-N 3.46Å |
| 398 | I | 94.9 | Very high | 93.1 | Very high | 80 Ų | 80 | 103 Ų | 103 | 41% | 0.41 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 177.8 | -68.5 | 164.4 | 0 | 0 | 0 | 111.3 | E394 K395 Q396 Q401 R402 | E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.41Å; E394-I398 PolarHBondContact O-N 3.38Å; K395-I398 PolarHBondContact O-N 3.47Å; Q396-I398 VanDerWaalsContact C-N 3.31Å; Q396-I398 PolarHBondContact O-N 3.4Å; I398-Q401 PolarHBondContact O-N 2.94Å; I398-R402 VanDerWaalsContact O-CG 3.31Å; I398-R402 WeakPolarHBondContact O-CG 3.44Å; I398-R402 PolarHBondContact O-N 3.4Å |
| 399 | I | 94.4 | Very high | 93.1 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 42% | 0.415 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 177.4 | -67.7 | 165 | 0 | 0 | 0 | 110.3 | K395 Q396 Q401 R402 R403 | K395-I399 VanDerWaalsContact O-CG1 3.31Å; K395-I399 WeakPolarHBondContact O-CG1 3.38Å; K395-I399 PolarHBondContact O-N 3.44Å; Q396-I399 PolarHBondContact O-N 2.88Å; Q396-I399 VanDerWaalsContact O-N 3.14Å; I399-Q401 PolarHBondContact O-N 3.44Å; I399-R402 WeakPolarHBondContact O-CB 3.37Å; I399-R402 PolarHBondContact O-N 3.41Å; I399-R403 PolarHBondContact O-N 2.92Å |
| 400 | E | 92 | Very high | 93 | Very high | 113 Ų | 113 | 99.2 Ų | 99.2 | 53% | 0.528 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 176.5 | -72.7 | 172.3 | -172.2 | 0 | 0 | 112 | Q396 K397 R402 R403 Q404 | Q396-E400 WeakPolarHBondContact O-CG 3.08Å; Q396-E400 PolarHBondContact O-N 3.21Å; K397-E400 PolarHBondContact O-N 3.39Å; E400-R402 PolarHBondContact O-N 2.98Å; E400-R403 WeakPolarHBondContact O-CB 3.4Å; E400-R403 PolarHBondContact O-N 2.93Å; E400-Q404 WeakPolarHBondContact O-CG 3.4Å; E400-Q404 PolarHBondContact O-N 3.38Å |
| 401 | Q | 94.3 | Very high | 92.8 | Very high | 107 Ų | 107 | 97.4 Ų | 97.4 | 50% | 0.5 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 174.7 | -76.1 | 176.2 | 0.9 | 0 | 0 | 112.2 | K397 I398 I399 R403 Q404 Q405 | K397-Q401 WeakPolarHBondContact O-CB 3.45Å; K397-Q401 VanDerWaalsContact O-CG 3.24Å; K397-Q401 WeakPolarHBondContact O-CG 3.32Å; K397-Q401 PolarHBondContact O-N 3.46Å; I398-Q401 PolarHBondContact O-N 2.94Å; I399-Q401 PolarHBondContact O-N 3.44Å; Q401-R403 VanDerWaalsContact C-N 3.33Å; Q401-Q404 PolarHBondContact O-N 3.12Å; Q401-Q405 WeakPolarHBondContact O-CB 3.47Å; Q401-Q405 VanDerWaalsContact O-CG 3.3Å; Q401-Q405 WeakPolarHBondContact O-CG 3.46Å; Q401-Q405 PolarHBondContact O-N 3.39Å |
| 402 | R | 93.1 | Very high | 92.9 | Very high | 119 Ų | 119 | 98.6 Ų | 98.6 | 45% | 0.449 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 175 | -74.9 | 175.8 | -174 | -177.9 | 2.7 | 111.4 | I398 I399 E400 Q405 R406 | I398-R402 VanDerWaalsContact O-CG 3.31Å; I398-R402 WeakPolarHBondContact O-CG 3.44Å; I398-R402 PolarHBondContact O-N 3.4Å; I399-R402 WeakPolarHBondContact O-CB 3.37Å; I399-R402 PolarHBondContact O-N 3.41Å; E400-R402 PolarHBondContact O-N 2.98Å; R402-Q405 PolarHBondContact O-N 3.36Å; R402-R406 WeakPolarHBondContact O-CG 3.33Å; R402-R406 PolarHBondContact O-N 2.91Å |
| 403 | R | 88.3 | Confident | 92.9 | Very high | 67 Ų | 67 | 101 Ų | 101 | 25% | 0.253 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 176.4 | -174.9 | 176.2 | 175.1 | -162.7 | -7 | 111.3 | I399 E400 Q401 Q405 R406 L407 | I399-R403 PolarHBondContact O-N 2.92Å; E400-R403 WeakPolarHBondContact O-CB 3.4Å; E400-R403 PolarHBondContact O-N 2.93Å; Q401-R403 VanDerWaalsContact C-N 3.33Å; R403-Q405 PolarHBondContact O-N 3.47Å; R403-R406 PolarHBondContact O-N 2.94Å; R403-L407 HydrophobicContact CG-CD1 4.42Å; R403-L407 WeakPolarHBondContact O-CG 3.28Å; R403-L407 PolarHBondContact O-N 3.25Å |
| 404 | Q | 90.6 | Very high | 92.8 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -57.8 | -46.5 | 175.1 | -72.1 | 173.9 | -2.3 | 0 | 0 | 111.7 | E400 Q401 R406 L407 E408 | E400-Q404 WeakPolarHBondContact O-CG 3.4Å; E400-Q404 PolarHBondContact O-N 3.38Å; Q401-Q404 PolarHBondContact O-N 3.12Å; Q404-R406 PolarHBondContact O-N 3.4Å; Q404-L407 PolarHBondContact O-N 2.9Å; Q404-E408 WeakPolarHBondContact O-CB 3.46Å; Q404-E408 PolarHBondContact O-N 3.45Å |
| 405 | Q | 93.7 | Very high | 92.9 | Very high | 80 Ų | 80 | 97.9 Ų | 97.9 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.2 | -74.7 | 173.7 | 8.8 | 0 | 0 | 112.6 | Q401 R402 R403 E408 I409 | Q401-Q405 WeakPolarHBondContact O-CB 3.47Å; Q401-Q405 VanDerWaalsContact O-CG 3.3Å; Q401-Q405 WeakPolarHBondContact O-CG 3.46Å; Q401-Q405 PolarHBondContact O-N 3.39Å; R402-Q405 PolarHBondContact O-N 3.36Å; R403-Q405 PolarHBondContact O-N 3.47Å; Q405-E408 PolarHBondContact O-N 2.95Å; Q405-I409 WeakPolarHBondContact O-CB 3.31Å; Q405-I409 WeakPolarHBondContact O-CD1 3.32Å; Q405-I409 VanDerWaalsContact O-CG1 3.23Å; Q405-I409 WeakPolarHBondContact O-CG1 3.48Å; Q405-I409 PolarHBondContact O-N 3.32Å |
| 406 | R | 90.3 | Very high | 93.1 | Very high | 106 Ų | 106 | 98.1 Ų | 98.1 | 40% | 0.4 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 177 | -75.3 | 174 | 177.6 | 175.7 | 1.2 | 111.7 | R402 R403 Q404 I409 R410 E500 | R402-R406 WeakPolarHBondContact O-CG 3.33Å; R402-R406 PolarHBondContact O-N 2.91Å; R403-R406 PolarHBondContact O-N 2.94Å; Q404-R406 PolarHBondContact O-N 3.4Å; R406-I409 PolarHBondContact O-N 3.5Å; R406-R410 WeakPolarHBondContact O-CG 3.33Å; R406-R410 PolarHBondContact O-N 3Å; R406-E500 IonicContact CZ-OE1 3.68Å; R406-E500 IonicContact NH1-OE1 2.61Å; R406-E500 PolarHBondContact NH1-OE1 2.98Å |
| 407 | L | 90.1 | Very high | 93.2 | Very high | 50 Ų | 50 | 94 Ų | 94 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.7 | -73 | 173.6 | 0 | 0 | 0 | 111.3 | R403 Q404 I409 R410 R411 E496 | R403-L407 HydrophobicContact CG-CD1 4.42Å; R403-L407 WeakPolarHBondContact O-CG 3.28Å; R403-L407 PolarHBondContact O-N 3.25Å; Q404-L407 PolarHBondContact O-N 2.9Å; L407-I409 PolarHBondContact O-N 3.3Å; L407-R410 PolarHBondContact O-N 2.92Å; L407-R411 WeakPolarHBondContact O-CB 3.5Å; L407-R411 PolarHBondContact O-N 3.19Å; L407-E496 WeakPolarHBondContact CD2-OE2 3.37Å |
| 408 | E | 92.1 | Very high | 93.2 | Very high | 115 Ų | 115 | 89.9 Ų | 89.9 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.8 | -174.3 | 179.4 | -175 | 0 | 0 | 112 | Q404 Q405 R410 R411 L412 | Q404-E408 WeakPolarHBondContact O-CB 3.46Å; Q404-E408 PolarHBondContact O-N 3.45Å; Q405-E408 PolarHBondContact O-N 2.95Å; E408-R410 PolarHBondContact O-N 3.33Å; E408-R411 WeakPolarHBondContact O-CB 3.4Å; E408-R411 PolarHBondContact O-N 2.89Å; E408-L412 HydrophobicContact CG-CD1 4.26Å; E408-L412 WeakPolarHBondContact O-CG 3.29Å; E408-L412 PolarHBondContact O-N 3.45Å |
| 409 | I | 93 | Very high | 93.4 | Very high | 92 Ų | 92 | 87.8 Ų | 87.8 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 176.1 | -70.9 | 165.7 | 0 | 0 | 0 | 111 | Q405 R406 L407 L412 Q413 | Q405-I409 WeakPolarHBondContact O-CB 3.31Å; Q405-I409 WeakPolarHBondContact O-CD1 3.32Å; Q405-I409 VanDerWaalsContact O-CG1 3.23Å; Q405-I409 WeakPolarHBondContact O-CG1 3.48Å; Q405-I409 PolarHBondContact O-N 3.32Å; R406-I409 PolarHBondContact O-N 3.5Å; L407-I409 PolarHBondContact O-N 3.3Å; I409-L412 PolarHBondContact O-N 3.17Å; I409-Q413 HydrophobicContact CG2-CG 4.34Å; I409-Q413 WeakPolarHBondContact O-CB 3.41Å; I409-Q413 VanDerWaalsContact O-CG 3.28Å; I409-Q413 WeakPolarHBondContact O-CG 3.48Å; I409-Q413 PolarHBondContact O-N 2.92Å |
| 410 | R | 91.5 | Very high | 93.5 | Very high | 139 Ų | 139 | 88.5 Ų | 88.5 | 53% | 0.525 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 178.4 | -73.3 | -179.8 | -173.8 | 176.4 | 7.3 | 111.8 | R406 L407 E408 L412 Q413 R414 E496 | R406-R410 WeakPolarHBondContact O-CG 3.33Å; R406-R410 PolarHBondContact O-N 3Å; L407-R410 PolarHBondContact O-N 2.92Å; E408-R410 PolarHBondContact O-N 3.33Å; R410-L412 PolarHBondContact O-N 3.38Å; R410-Q413 PolarHBondContact O-N 3.24Å; R410-R414 PolarHBondContact O-N 3.38Å; R410-E496 IonicContact CZ-OE1 3.8Å; R410-E496 IonicContact NH1-OE1 2.68Å; R410-E496 PolarHBondContact NH1-OE1 3.23Å |
| 411 | R | 92 | Very high | 93.7 | Very high | 79 Ų | 79 | 87.9 Ų | 87.9 | 30% | 0.298 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -54.5 | -52.2 | 172.5 | 166.8 | 179.9 | -162.7 | -170.1 | 5.3 | 111.3 | L407 E408 Q413 R414 K415 I484 D485 D488 | L407-R411 WeakPolarHBondContact O-CB 3.5Å; L407-R411 PolarHBondContact O-N 3.19Å; E408-R411 WeakPolarHBondContact O-CB 3.4Å; E408-R411 PolarHBondContact O-N 2.89Å; R411-Q413 VanDerWaalsContact C-N 3.35Å; R411-Q413 PolarHBondContact O-N 3.47Å; R411-R414 PolarHBondContact O-N 3.12Å; R411-K415 HydrophobicContact CG-CD 4.47Å; R411-K415 WeakPolarHBondContact O-CG 3.38Å; R411-K415 PolarHBondContact O-N 2.92Å; R411-I484 HydrophobicContact CG-CG2 4.35Å; R411-D485 IonicContact CZ-OD1 2.9Å; R411-D485 IonicContact NE-OD1 3.96Å; R411-D485 IonicContact NH2-OD1 2.68Å; R411-D485 PolarHBondContact NH2-OD1 2.87Å; R411-D488 VanDerWaalsContact CD-CG 3.49Å; R411-D488 WeakPolarHBondContact CD-OD2 3.4Å; R411-D488 WeakPolarHBondContact CG-OD2 3.46Å; R411-D488 IonicContact CZ-OD2 3.95Å; R411-D488 IonicContact NE-OD2 3.56Å; R411-D488 PolarHBondContact NE-OD2 2.85Å; R411-D488 IonicContact NH2-OD2 3.63Å |
| 412 | L | 94.7 | Very high | 93.9 | Very high | 94 Ų | 94 | 83.5 Ų | 83.5 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | -179.3 | -70.9 | 174.1 | 0 | 0 | 0 | 112.2 | E408 I409 R410 K415 R416 | E408-L412 HydrophobicContact CG-CD1 4.26Å; E408-L412 WeakPolarHBondContact O-CG 3.29Å; E408-L412 PolarHBondContact O-N 3.45Å; I409-L412 PolarHBondContact O-N 3.17Å; R410-L412 PolarHBondContact O-N 3.38Å; L412-K415 PolarHBondContact O-N 3.23Å; L412-R416 VanDerWaalsContact O-CB 3.29Å; L412-R416 WeakPolarHBondContact O-CB 3.47Å; L412-R416 PolarHBondContact O-N 3.01Å |
| 413 | Q | 94.2 | Very high | 94.1 | Very high | 96 Ų | 96 | 83.2 Ų | 83.2 | 45% | 0.449 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 174.9 | -75.4 | 175.6 | -6.6 | 0 | 0 | 111.9 | I409 R410 R411 R416 G417 | I409-Q413 HydrophobicContact CG2-CG 4.34Å; I409-Q413 WeakPolarHBondContact O-CB 3.41Å; I409-Q413 VanDerWaalsContact O-CG 3.28Å; I409-Q413 WeakPolarHBondContact O-CG 3.48Å; I409-Q413 PolarHBondContact O-N 2.92Å; R410-Q413 PolarHBondContact O-N 3.24Å; R411-Q413 VanDerWaalsContact C-N 3.35Å; R411-Q413 PolarHBondContact O-N 3.47Å; Q413-R416 PolarHBondContact O-N 2.89Å; Q413-G417 PolarHBondContact O-N 3.44Å |
| 414 | R | 93.6 | Very high | 94.6 | Very high | 125 Ų | 125 | 82.9 Ų | 82.9 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 177.6 | -164 | -176.6 | 176 | 169 | -5.3 | 111.5 | R410 R411 R416 G417 I418 I484 | R410-R414 PolarHBondContact O-N 3.38Å; R411-R414 PolarHBondContact O-N 3.12Å; R414-R416 PolarHBondContact O-N 3.34Å; R414-G417 PolarHBondContact O-N 3.43Å; R414-I418 PolarHBondContact O-N 3.22Å; R414-I484 HydrophobicContact CB-CD1 4.1Å; R414-I484 HydrophobicContact CG-CD1 3.56Å; R414-I484 HydrophobicContact CG-CG1 4.35Å |
| 415 | K | 96.8 | Very high | 94.9 | Very high | 26 Ų | 26 | 81.3 Ų | 81.3 | 11% | 0.113 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 174.6 | -71.6 | -177.1 | 175.2 | -172.8 | 0 | 112 | R411 L412 G417 I418 V419 L481 I484 D485 | R411-K415 HydrophobicContact CG-CD 4.47Å; R411-K415 WeakPolarHBondContact O-CG 3.38Å; R411-K415 PolarHBondContact O-N 2.92Å; L412-K415 PolarHBondContact O-N 3.23Å; K415-G417 VanDerWaalsContact C-N 3.34Å; K415-G417 PolarHBondContact O-N 3.17Å; K415-I418 PolarHBondContact O-N 3.34Å; K415-V419 WeakPolarHBondContact O-CG2 3.05Å; K415-V419 PolarHBondContact O-N 3.43Å; K415-L481 HydrophobicContact CB-CD2 3.89Å; K415-L481 HydrophobicContact CG-CD2 3.91Å; K415-I484 HydrophobicContact CG-CD1 4.28Å; K415-I484 HydrophobicContact CG-CG2 3.93Å; K415-D485 WeakPolarHBondContact CE-OD1 3.32Å; K415-D485 IonicContact NZ-OD1 2.59Å; K415-D485 PolarHBondContact NZ-OD1 2.86Å; K415-D485 IonicContact NZ-OD2 3.65Å |
| 416 | R | 96.9 | Very high | 95.1 | Very high | 136 Ų | 136 | 78.1 Ų | 78.1 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 177.8 | 179.7 | -177.2 | 174.1 | -168.2 | -0.4 | 111.6 | L412 Q413 R414 I418 V419 M420 | L412-R416 VanDerWaalsContact O-CB 3.29Å; L412-R416 WeakPolarHBondContact O-CB 3.47Å; L412-R416 PolarHBondContact O-N 3.01Å; Q413-R416 PolarHBondContact O-N 2.89Å; R414-R416 PolarHBondContact O-N 3.34Å; R416-I418 VanDerWaalsContact C-N 3.32Å; R416-I418 PolarHBondContact O-N 3.19Å; R416-V419 PolarHBondContact O-N 2.88Å; R416-M420 HydrophobicContact CG-CG 4.32Å; R416-M420 HydrophobicContact CG-SD 4.02Å; R416-M420 WeakPolarHBondContact O-CB 3.31Å; R416-M420 WeakPolarHBondContact O-CG 3.39Å; R416-M420 PolarHBondContact O-N 2.96Å |
| 417 | G | 95.4 | Very high | 95.4 | Very high | 34 Ų | 34 | 76 Ų | 76 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q413 R414 K415 V421 | Q413-G417 PolarHBondContact O-N 3.44Å; R414-G417 PolarHBondContact O-N 3.43Å; K415-G417 VanDerWaalsContact C-N 3.34Å; K415-G417 PolarHBondContact O-N 3.17Å; G417-V421 WeakPolarHBondContact O-CG2 2.92Å; G417-V421 PolarHBondContact O-N 3.21Å |
| 418 | I | 96 | Very high | 95.8 | Very high | 28 Ų | 28 | 78.4 Ų | 78.4 | 14% | 0.144 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.3 | -51.6 | 176.9 | -73.8 | 161.2 | 0 | 0 | 0 | 111.1 | R414 K415 R416 M420 V421 H422 M477 Q480 I484 | R414-I418 PolarHBondContact O-N 3.22Å; K415-I418 PolarHBondContact O-N 3.34Å; R416-I418 VanDerWaalsContact C-N 3.32Å; R416-I418 PolarHBondContact O-N 3.19Å; I418-M420 VanDerWaalsContact C-N 3.3Å; I418-M420 PolarHBondContact O-N 3.42Å; I418-V421 PolarHBondContact O-N 3.44Å; I418-H422 PolarHBondContact O-CD2 3.33Å; I418-H422 PolarHBondContact O-N 3.36Å; I418-H422 VanDerWaalsContact O-N 3.08Å; I418-M477 HydrophobicContact CG2-CG 4.44Å; I418-Q480 HydrophobicContact CD1-CB 4.18Å; I418-Q480 HydrophobicContact CG2-CB 4.04Å; I418-I484 HydrophobicContact CD1-CD1 3.17Å; I418-I484 HydrophobicContact CD1-CG1 4.3Å |
| 419 | V | 97.4 | Very high | 96 | Very high | 37 Ų | 37 | 74.2 Ų | 74.2 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.4 | -46.4 | 179.9 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | K415 R416 V421 H422 E423 L481 | K415-V419 WeakPolarHBondContact O-CG2 3.05Å; K415-V419 PolarHBondContact O-N 3.43Å; R416-V419 PolarHBondContact O-N 2.88Å; V419-V421 VanDerWaalsContact C-N 3.34Å; V419-V421 PolarHBondContact O-N 3.29Å; V419-H422 PolarHBondContact O-N 3.48Å; V419-E423 VanDerWaalsContact CG1-CD 3.43Å; V419-E423 HydrophobicContact CG1-CG 3.96Å; V419-E423 WeakPolarHBondContact CG1-OE1 3.41Å; V419-E423 VanDerWaalsContact O-CB 3.28Å; V419-E423 WeakPolarHBondContact O-CB 3.23Å; V419-E423 VanDerWaalsContact O-CG 3.26Å; V419-E423 WeakPolarHBondContact O-CG 3.22Å; V419-E423 PolarHBondContact O-N 3.02Å; V419-L481 HydrophobicContact CG2-CD1 4.1Å; V419-L481 HydrophobicContact CG2-CD2 4.17Å |
| 420 | M | 97.4 | Very high | 96.2 | Very high | 96 Ų | 96 | 75 Ų | 75 | 47% | 0.473 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | -180 | -74.9 | -176.6 | 63.7 | 0 | 0 | 113.3 | R416 I418 A424 | R416-M420 HydrophobicContact CG-CG 4.32Å; R416-M420 HydrophobicContact CG-SD 4.02Å; R416-M420 WeakPolarHBondContact O-CB 3.31Å; R416-M420 WeakPolarHBondContact O-CG 3.39Å; R416-M420 PolarHBondContact O-N 2.96Å; I418-M420 VanDerWaalsContact C-N 3.3Å; I418-M420 PolarHBondContact O-N 3.42Å; M420-A424 WeakPolarHBondContact O-CB 3.37Å; M420-A424 PolarHBondContact O-N 3.3Å; M420-A424 VanDerWaalsContact O-N 3.17Å |
| 421 | V | 97.2 | Very high | 96.4 | Very high | 99 Ų | 99 | 75.7 Ų | 75.7 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.8 | -48.8 | 179.2 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | G417 I418 V419 A424 E425 | G417-V421 WeakPolarHBondContact O-CG2 2.92Å; G417-V421 PolarHBondContact O-N 3.21Å; I418-V421 PolarHBondContact O-N 3.44Å; V419-V421 VanDerWaalsContact C-N 3.34Å; V419-V421 PolarHBondContact O-N 3.29Å; V421-A424 PolarHBondContact O-N 2.98Å; V421-E425 PolarHBondContact O-N 3.48Å; V421-E425 VanDerWaalsContact O-N 3.15Å |
| 422 | H | 97.9 | Very high | 96.6 | Very high | 15 Ų | 15 | 73.8 Ų | 73.8 | 7% | 0.069 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.7 | -37.3 | -179.7 | -74.4 | -74.9 | 0 | 0 | 0 | 112.5 | I418 V419 E425 I426 V473 M477 Q480 | I418-H422 PolarHBondContact O-CD2 3.33Å; I418-H422 PolarHBondContact O-N 3.36Å; I418-H422 VanDerWaalsContact O-N 3.08Å; V419-H422 PolarHBondContact O-N 3.48Å; H422-E425 PolarHBondContact O-N 3Å; H422-I426 WeakPolarHBondContact O-CB 3.26Å; H422-I426 VanDerWaalsContact O-CG1 3.24Å; H422-I426 WeakPolarHBondContact O-CG1 3.4Å; H422-I426 PolarHBondContact O-N 2.88Å; H422-V473 HydrophobicContact CB-CG1 4.3Å; H422-M477 HydrophobicContact CB-CB 3.9Å; H422-M477 HydrophobicContact CB-CG 3.82Å; H422-M477 HydrophobicContact CB-SD 3.86Å; H422-Q480 PolarHBondContact NE2-NE2 3.07Å; H422-Q480 PolarHBondContact NE2-OE1 3.45Å |
| 423 | E | 97.4 | Very high | 96.7 | Very high | 114 Ų | 114 | 72 Ų | 72 | 53% | 0.533 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 175.3 | -77.2 | -179 | 165.3 | 0 | 0 | 112.3 | V419 E425 I426 C427 | V419-E423 VanDerWaalsContact CG1-CD 3.43Å; V419-E423 HydrophobicContact CG1-CG 3.96Å; V419-E423 WeakPolarHBondContact CG1-OE1 3.41Å; V419-E423 VanDerWaalsContact O-CB 3.28Å; V419-E423 WeakPolarHBondContact O-CB 3.23Å; V419-E423 VanDerWaalsContact O-CG 3.26Å; V419-E423 WeakPolarHBondContact O-CG 3.22Å; V419-E423 PolarHBondContact O-N 3.02Å; E423-E425 VanDerWaalsContact C-N 3.33Å; E423-I426 PolarHBondContact O-N 2.66Å; E423-C427 VanDerWaalsContact O-CB 3.23Å; E423-C427 WeakPolarHBondContact O-CB 3.45Å; E423-C427 PolarHBondContact O-N 3.13Å |
| 424 | A | 97.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 70.1 Ų | 70.1 | 50% | 0.496 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M420 V421 C427 H428 | M420-A424 WeakPolarHBondContact O-CB 3.37Å; M420-A424 PolarHBondContact O-N 3.3Å; M420-A424 VanDerWaalsContact O-N 3.17Å; V421-A424 PolarHBondContact O-N 2.98Å; A424-C427 PolarHBondContact O-N 3.17Å; A424-H428 PolarHBondContact O-N 3.33Å |
| 425 | E | 97.5 | Very high | 97 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -50.2 | 174.4 | -176.2 | 170.4 | -170.9 | 0 | 0 | 111.5 | V421 H422 E423 C427 H428 M429 V473 | V421-E425 PolarHBondContact O-N 3.48Å; V421-E425 VanDerWaalsContact O-N 3.15Å; H422-E425 PolarHBondContact O-N 3Å; E423-E425 VanDerWaalsContact C-N 3.33Å; E425-C427 VanDerWaalsContact C-N 3.28Å; E425-C427 PolarHBondContact O-N 2.88Å; E425-H428 WeakPolarHBondContact O-CA 3.44Å; E425-H428 WeakPolarHBondContact O-CB 3.32Å; E425-H428 PolarHBondContact O-N 2.9Å; E425-M429 WeakPolarHBondContact O-CG 3.23Å; E425-M429 PolarHBondContact O-N 3.01Å; E425-V473 HydrophobicContact CG-CG1 4.39Å; E425-V473 HydrophobicContact CG-CG2 4.41Å |
| 426 | I | 98 | Very high | 97 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 176.6 | -68 | 164.9 | 0 | 0 | 0 | 110.9 | H422 E423 H428 M429 K430 I470 V473 R474 | H422-I426 WeakPolarHBondContact O-CB 3.26Å; H422-I426 VanDerWaalsContact O-CG1 3.24Å; H422-I426 WeakPolarHBondContact O-CG1 3.4Å; H422-I426 PolarHBondContact O-N 2.88Å; E423-I426 PolarHBondContact O-N 2.66Å; I426-H428 VanDerWaalsContact C-N 3.35Å; I426-M429 PolarHBondContact O-N 2.95Å; I426-K430 HydrophobicContact CG2-CD 4.18Å; I426-K430 HydrophobicContact CG2-CG 4.38Å; I426-K430 WeakPolarHBondContact O-CB 3.34Å; I426-K430 VanDerWaalsContact O-CG 3.3Å; I426-K430 WeakPolarHBondContact O-CG 3.28Å; I426-K430 PolarHBondContact O-N 3.41Å; I426-I470 HydrophobicContact CG1-CG2 4.47Å; I426-I470 HydrophobicContact CG2-CG2 4.1Å; I426-V473 HydrophobicContact CD1-CG1 4.21Å; I426-V473 HydrophobicContact CG1-CB 4.4Å; I426-V473 HydrophobicContact CG1-CG1 3.84Å; I426-R474 HydrophobicContact CD1-CG 3.66Å |
| 427 | C | 97.6 | Very high | 97 | Very high | 63 Ų | 63 | 61.3 Ų | 61.3 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 176 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | E423 A424 E425 R431 | E423-C427 VanDerWaalsContact O-CB 3.23Å; E423-C427 WeakPolarHBondContact O-CB 3.45Å; E423-C427 PolarHBondContact O-N 3.13Å; A424-C427 PolarHBondContact O-N 3.17Å; E425-C427 VanDerWaalsContact C-N 3.28Å; E425-C427 PolarHBondContact O-N 2.88Å; C427-R431 PolarHBondContact O-N 3.44Å; C427-R431 PolarHBondContact O-NE 3.41Å |
| 428 | H | 96.6 | Very high | 97.1 | Very high | 99 Ų | 99 | 61.4 Ų | 61.4 | 46% | 0.458 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 173.4 | 179.2 | 62.3 | 0 | 0 | 0 | 111.9 | A424 E425 I426 K430 R431 L432 | A424-H428 PolarHBondContact O-N 3.33Å; E425-H428 WeakPolarHBondContact O-CA 3.44Å; E425-H428 WeakPolarHBondContact O-CB 3.32Å; E425-H428 PolarHBondContact O-N 2.9Å; I426-H428 VanDerWaalsContact C-N 3.35Å; H428-K430 PolarHBondContact O-N 3.05Å; H428-R431 WeakPolarHBondContact O-CB 3.41Å; H428-R431 PolarHBondContact O-N 3.39Å; H428-L432 PolarHBondContact O-N 2.7Å |
| 429 | M | 96.8 | Very high | 97 | Very high | 27 Ų | 27 | 67.2 Ų | 67.2 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 178.8 | -62.4 | -170.5 | 112.6 | 0 | 0 | 113 | E425 I426 R431 L432 Q433 L466 S469 I470 V473 | E425-M429 WeakPolarHBondContact O-CG 3.23Å; E425-M429 PolarHBondContact O-N 3.01Å; I426-M429 PolarHBondContact O-N 2.95Å; M429-R431 VanDerWaalsContact C-N 3.31Å; M429-R431 PolarHBondContact O-N 2.89Å; M429-L432 WeakPolarHBondContact O-CA 3.37Å; M429-L432 WeakPolarHBondContact O-CB 3.48Å; M429-L432 PolarHBondContact O-N 3.49Å; M429-L432 VanDerWaalsContact O-N 3.09Å; M429-Q433 PolarHBondContact O-N 3.24Å; M429-Q433 VanDerWaalsContact O-N 3.16Å; M429-L466 HydrophobicContact CE-CD2 4.28Å; M429-S469 WeakPolarHBondContact CE-OG 3.38Å; M429-I470 HydrophobicContact CB-CD1 3.85Å; M429-I470 HydrophobicContact CB-CG1 3.63Å; M429-I470 HydrophobicContact CG-CG1 4.35Å; M429-I470 HydrophobicContact SD-CG1 3.8Å; M429-V473 HydrophobicContact SD-CG2 4.29Å |
| 430 | K | 97.3 | Very high | 96.9 | Very high | 109 Ų | 109 | 68.9 Ų | 68.9 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 173.9 | -78.4 | 177.2 | 176.2 | -177.6 | 0 | 111.9 | I426 H428 L432 Q433 I470 | I426-K430 HydrophobicContact CG2-CD 4.18Å; I426-K430 HydrophobicContact CG2-CG 4.38Å; I426-K430 WeakPolarHBondContact O-CB 3.34Å; I426-K430 VanDerWaalsContact O-CG 3.3Å; I426-K430 WeakPolarHBondContact O-CG 3.28Å; I426-K430 PolarHBondContact O-N 3.41Å; H428-K430 PolarHBondContact O-N 3.05Å; K430-L432 VanDerWaalsContact C-N 3.27Å; K430-L432 PolarHBondContact O-N 2.97Å; K430-Q433 WeakPolarHBondContact O-CB 3.26Å; K430-Q433 PolarHBondContact O-N 2.83Å; K430-I470 HydrophobicContact CG-CD1 4.25Å |
| 431 | R | 96 | Very high | 96.8 | Very high | 153 Ų | 153 | 73.5 Ų | 73.5 | 58% | 0.577 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.1 | -36.8 | 174.5 | -72.9 | -178.3 | -78.7 | 176.4 | -4.1 | 111.9 | C427 H428 M429 Q433 S434 | C427-R431 PolarHBondContact O-N 3.44Å; C427-R431 PolarHBondContact O-NE 3.41Å; H428-R431 WeakPolarHBondContact O-CB 3.41Å; H428-R431 PolarHBondContact O-N 3.39Å; M429-R431 VanDerWaalsContact C-N 3.31Å; M429-R431 PolarHBondContact O-N 2.89Å; R431-Q433 VanDerWaalsContact C-N 3.29Å; R431-Q433 PolarHBondContact O-N 2.83Å; R431-S434 PolarHBondContact O-OG 3.29Å |
| 432 | L | 96.2 | Very high | 96.7 | Very high | 39 Ų | 39 | 74.1 Ų | 74.1 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -72.4 | -15.3 | 177.5 | -65.7 | 179.2 | 0 | 0 | 0 | 114.4 | H428 M429 K430 S434 F435 C445 L466 | H428-L432 PolarHBondContact O-N 2.7Å; M429-L432 WeakPolarHBondContact O-CA 3.37Å; M429-L432 WeakPolarHBondContact O-CB 3.48Å; M429-L432 PolarHBondContact O-N 3.49Å; M429-L432 VanDerWaalsContact O-N 3.09Å; K430-L432 VanDerWaalsContact C-N 3.27Å; K430-L432 PolarHBondContact O-N 2.97Å; L432-S434 PolarHBondContact O-N 2.97Å; L432-S434 VanDerWaalsContact O-N 3.09Å; L432-F435 HydrophobicContact CD2-CD2 4.43Å; L432-F435 PolarHBondContact O-N 3.31Å; L432-C445 HydrophobicContact CD2-CB 4.37Å; L432-L466 HydrophobicContact CB-CD1 3.99Å; L432-L466 HydrophobicContact CB-CD2 4.46Å; L432-L466 WeakPolarHBondContact O-CD1 3.44Å |
| 433 | Q | 96.6 | Very high | 96.5 | Very high | 56 Ų | 56 | 80 Ų | 80 | 26% | 0.262 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.4 | -179 | -73.1 | -179 | -24.3 | 0 | 0 | 113.5 | M429 K430 R431 F435 H459 L466 | M429-Q433 PolarHBondContact O-N 3.24Å; M429-Q433 VanDerWaalsContact O-N 3.16Å; K430-Q433 WeakPolarHBondContact O-CB 3.26Å; K430-Q433 PolarHBondContact O-N 2.83Å; R431-Q433 VanDerWaalsContact C-N 3.29Å; R431-Q433 PolarHBondContact O-N 2.83Å; Q433-F435 VanDerWaalsContact C-N 3.3Å; Q433-F435 PolarHBondContact O-N 2.83Å; Q433-H459 PolarHBondContact O-CE1 3.42Å; Q433-L466 HydrophobicContact CG-CB 4.36Å; Q433-L466 HydrophobicContact CG-CD1 4.39Å |
| 434 | S | 95.9 | Very high | 96.5 | Very high | 57 Ų | 57 | 79.2 Ų | 79.2 | 40% | 0.399 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.8 | 176.5 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | R431 L432 L447 H459 | R431-S434 PolarHBondContact O-OG 3.29Å; L432-S434 PolarHBondContact O-N 2.97Å; L432-S434 VanDerWaalsContact O-N 3.09Å; S434-L447 WeakPolarHBondContact O-CD1 3.44Å; S434-H459 VanDerWaalsContact C-CE1 3.49Å; S434-H459 PolarHBondContact O-CE1 3.06Å |
| 435 | F | 98 | Very high | 96.4 | Very high | 69 Ų | 69 | 78.7 Ų | 78.7 | 30% | 0.303 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -99.5 | 157.1 | -173.9 | -63.9 | -92.2 | 0 | 0 | 0 | 112.9 | L432 Q433 C445 L447 S462 | L432-F435 HydrophobicContact CD2-CD2 4.43Å; L432-F435 PolarHBondContact O-N 3.31Å; Q433-F435 VanDerWaalsContact C-N 3.3Å; Q433-F435 PolarHBondContact O-N 2.83Å; F435-C445 HydrophobicContact CB-CB 3.92Å; F435-C445 HydrophobicContact CD1-CB 4.5Å; F435-C445 HydrophobicContact CG-CB 4.25Å; F435-L447 HydrophobicContact CD1-CB 3.88Å; F435-L447 HydrophobicContact CE1-CB 4.05Å; F435-S462 PolarHBondContact O-OG 3.15Å |
| 436 | I | 98.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.8 | 166.1 | -56 | 178.5 | 0 | 0 | 0 | 107.8 | C445 Y446 P448 T455 L458 H459 | I436-C445 WeakPolarHBondContact O-CA 2.9Å; I436-Y446 HydrophobicContact CB-CD1 4.23Å; I436-Y446 HydrophobicContact CB-CE1 3.81Å; I436-Y446 HydrophobicContact CB-CE2 4.37Å; I436-Y446 HydrophobicContact CD1-CE2 4.19Å; I436-Y446 HydrophobicContact CG2-CE1 3.68Å; I436-Y446 PolarHBondContact N-O 2.59Å; I436-Y446 WeakPolarHBondContact O-CD1 3.35Å; I436-Y446 PolarHBondContact O-N 3.4Å; I436-P448 HydrophobicContact CD1-CG 3.78Å; I436-T455 WeakPolarHBondContact CD1-O 3.24Å; I436-L458 HydrophobicContact CD1-CB 4.36Å; I436-L458 HydrophobicContact CG2-CB 3.89Å; I436-H459 HydrophobicContact CD1-CB 4.23Å; I436-H459 HydrophobicContact CG1-CB 3.84Å |
| 437 | V | 97.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 82.7 Ų | 82.7 | 18% | 0.182 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.8 | 178.6 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | Q443 L466 | V437-Q443 HydrophobicContact CG1-CB 4.01Å; V437-Q443 HydrophobicContact CG1-CG 4.2Å; V437-L466 HydrophobicContact CG2-CD1 4.22Å |
| 438 | T | 96.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 81.1 Ų | 81.1 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 155 | 174.3 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | T440 I444 Y446 | T438-T440 PolarHBondContact O-N 3.36Å; T438-T440 PolarHBondContact OG1-OG1 2.88Å; T438-I444 HydrophobicContact CG2-CB 4.13Å; T438-I444 PolarHBondContact N-O 3.2Å; T438-I444 PolarHBondContact OG1-N 3.08Å; T438-I444 PolarHBondContact OG1-O 3.06Å; T438-Y446 HydrophobicContact CG2-CD1 4.17Å; T438-Y446 HydrophobicContact CG2-CE1 3.92Å |
| 439 | V | 94.4 | Very high | 96.5 | Very high | 151 Ų | 151 | 81.7 Ų | 81.7 | 92% | 0.915 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -77.1 | -3.8 | 175.7 | -173.8 | 0 | 0 | 0 | 0 | 112 | ||
| 440 | T | 95.3 | Very high | 96.5 | Very high | 71 Ų | 71 | 88.4 Ų | 88.4 | 44% | 0.436 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -71.2 | 157.9 | -177.5 | 56.1 | 0 | 0 | 0 | 0 | 112 | T438 P442 Q443 | T438-T440 PolarHBondContact O-N 3.36Å; T438-T440 PolarHBondContact OG1-OG1 2.88Å; T440-P442 CarbonylContact C-O 3.1Å; T440-P442 VanDerWaalsContact C-O 3.28Å; T440-P442 CarbonylContact O-C 3.28Å; T440-P442 VanDerWaalsContact O-O 3.07Å; T440-P442 PolarHBondContact OG1-O 2.84Å; T440-Q443 VanDerWaalsContact O-CA 3.28Å; T440-Q443 WeakPolarHBondContact O-CA 3.49Å; T440-Q443 WeakPolarHBondContact O-CG 3.31Å; T440-Q443 PolarHBondContact O-N 3.36Å; T440-Q443 VanDerWaalsContact O-N 3.12Å |
| 441 | Q | 94.7 | Very high | 96.6 | Very high | 194 Ų | 194 | 87.1 Ų | 87.1 | 91% | 0.907 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -116.1 | 112.3 | 168.1 | -67.2 | -177.6 | -2.6 | 0 | 0 | 107.8 | ||
| 442 | P | 94.1 | Very high | 96.6 | Very high | 112 Ų | 112 | 83.8 Ų | 83.8 | 73% | 0.727 | 46% | 0.458 | S | S | * | . | S | Bend | cis | -69.9 | 152.7 | 2.9 | 30.3 | -35.7 | 0 | 0 | 0 | 113.5 | T440 | T440-P442 CarbonylContact C-O 3.1Å; T440-P442 VanDerWaalsContact C-O 3.28Å; T440-P442 CarbonylContact O-C 3.28Å; T440-P442 VanDerWaalsContact O-O 3.07Å; T440-P442 PolarHBondContact OG1-O 2.84Å |
| 443 | Q | 95 | Very high | 96.7 | Very high | 137 Ų | 137 | 87.9 Ų | 87.9 | 64% | 0.64 | 48% | 0.478 | S | S | * | . | trans | -70.3 | 132.1 | 174.5 | -68.4 | -179.2 | -0.6 | 0 | 0 | 109.3 | V437 T440 | V437-Q443 HydrophobicContact CG1-CB 4.01Å; V437-Q443 HydrophobicContact CG1-CG 4.2Å; T440-Q443 VanDerWaalsContact O-CA 3.28Å; T440-Q443 WeakPolarHBondContact O-CA 3.49Å; T440-Q443 WeakPolarHBondContact O-CG 3.31Å; T440-Q443 PolarHBondContact O-N 3.36Å; T440-Q443 VanDerWaalsContact O-N 3.12Å | ||
| 444 | I | 96.6 | Very high | 96.8 | Very high | 98 Ų | 98 | 94.3 Ų | 94.3 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | trans | -107.9 | 124.5 | 177 | -56.1 | 173.9 | 0 | 0 | 0 | 107 | T438 | T438-I444 HydrophobicContact CG2-CB 4.13Å; T438-I444 PolarHBondContact N-O 3.2Å; T438-I444 PolarHBondContact OG1-N 3.08Å; T438-I444 PolarHBondContact OG1-O 3.06Å | ||
| 445 | C | 96.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 92.6 Ų | 92.6 | 33% | 0.331 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.8 | 173.9 | -60.7 | 0 | 0 | 0 | 0 | 108.4 | L432 F435 I436 | L432-C445 HydrophobicContact CD2-CB 4.37Å; F435-C445 HydrophobicContact CB-CB 3.92Å; F435-C445 HydrophobicContact CD1-CB 4.5Å; F435-C445 HydrophobicContact CG-CB 4.25Å; I436-C445 WeakPolarHBondContact O-CA 2.9Å |
| 446 | Y | 97.9 | Very high | 96.9 | Very high | 90 Ų | 90 | 93.5 Ų | 93.5 | 35% | 0.353 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.9 | 177.6 | 73.7 | -80.6 | 0 | 0 | 0 | 111.5 | I436 T438 P448 | I436-Y446 HydrophobicContact CB-CD1 4.23Å; I436-Y446 HydrophobicContact CB-CE1 3.81Å; I436-Y446 HydrophobicContact CB-CE2 4.37Å; I436-Y446 HydrophobicContact CD1-CE2 4.19Å; I436-Y446 HydrophobicContact CG2-CE1 3.68Å; I436-Y446 PolarHBondContact N-O 2.59Å; I436-Y446 WeakPolarHBondContact O-CD1 3.35Å; I436-Y446 PolarHBondContact O-N 3.4Å; T438-Y446 HydrophobicContact CG2-CD1 4.17Å; T438-Y446 HydrophobicContact CG2-CE1 3.92Å; Y446-P448 HydrophobicContact CD2-CG 4.29Å; Y446-P448 HydrophobicContact CE2-CG 3.96Å |
| 447 | L | 97.3 | Very high | 96.9 | Very high | 94 Ų | 94 | 98.3 Ų | 98.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | trans | -123 | 115.7 | 177 | -176.6 | 62 | 0 | 0 | 0 | 109.3 | S434 F435 | S434-L447 WeakPolarHBondContact O-CD1 3.44Å; F435-L447 HydrophobicContact CD1-CB 3.88Å; F435-L447 HydrophobicContact CE1-CB 4.05Å | ||
| 448 | P | 97.6 | Very high | 96.9 | Very high | 30 Ų | 30 | 99.8 Ų | 99.8 | 20% | 0.195 | 52% | 0.523 | C | S | . | . | trans | -64.8 | 142.6 | 176.3 | -19.8 | 31.2 | 0 | 0 | 0 | 112.1 | I436 Y446 K450 T455 | I436-P448 HydrophobicContact CD1-CG 3.78Å; Y446-P448 HydrophobicContact CD2-CG 4.29Å; Y446-P448 HydrophobicContact CE2-CG 3.96Å; P448-K450 PolarHBondContact O-N 2.68Å; P448-T455 HydrophobicContact CG-CG2 4.1Å | ||
| 449 | A | 97.4 | Very high | 96.9 | Very high | 110 Ų | 110 | 100 Ų | 100 | 91% | 0.909 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -62.4 | -29.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 450 | K | 97.9 | Very high | 97.1 | Very high | 168 Ų | 168 | 98.6 Ų | 98.6 | 73% | 0.73 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -140.1 | 124.7 | 173 | -65.9 | 179.9 | -177.1 | 173.8 | 0 | 109 | P448 T452 | P448-K450 PolarHBondContact O-N 2.68Å; K450-T452 PolarHBondContact O-N 3.03Å |
| 451 | H | 97.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 101.1 Ų | 101.1 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | trans | -73.3 | 123.8 | 175.6 | -77 | -73.9 | 0 | 0 | 0 | 111.7 | T455 M456 | H451-T455 VanDerWaalsContact CA-OG1 3.28Å; H451-T455 WeakPolarHBondContact CA-OG1 3.34Å; H451-T455 PolarHBondContact ND1-OG1 3.04Å; H451-M456 HydrophobicContact CB-CG 3.69Å | ||
| 452 | T | 97.9 | Very high | 97.3 | Very high | 83 Ų | 83 | 92.3 Ų | 92.3 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | trans | -86.5 | 163.8 | 159.9 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | K450 R454 T455 M456 | K450-T452 PolarHBondContact O-N 3.03Å; T452-R454 VanDerWaalsContact C-N 3.27Å; T452-R454 PolarHBondContact O-N 3.45Å; T452-T455 PolarHBondContact N-OG1 3.5Å; T452-T455 PolarHBondContact O-N 3.25Å; T452-T455 PolarHBondContact O-OG1 3.29Å; T452-T455 WeakPolarHBondContact OG1-CG2 3.32Å; T452-T455 PolarHBondContact OG1-N 3.39Å; T452-T455 PolarHBondContact OG1-OG1 3.15Å; T452-M456 WeakPolarHBondContact O-CG 3.47Å; T452-M456 PolarHBondContact O-N 3.33Å | ||
| 453 | I | 98 | Very high | 97.5 | Very high | 125 Ų | 125 | 90.1 Ų | 90.1 | 64% | 0.641 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -51.1 | -47.2 | 178.2 | -60 | 172.2 | 0 | 0 | 0 | 111.2 | T455 M456 E457 | I453-T455 PolarHBondContact O-N 3.21Å; I453-M456 PolarHBondContact O-N 3.41Å; I453-E457 PolarHBondContact O-N 3.2Å |
| 454 | R | 97.6 | Very high | 97.6 | Very high | 191 Ų | 191 | 91 Ų | 91 | 72% | 0.721 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.3 | -44 | 176.2 | -176.3 | 179.7 | 177.1 | -174.1 | -0.2 | 112.7 | T452 E457 L458 | T452-R454 VanDerWaalsContact C-N 3.27Å; T452-R454 PolarHBondContact O-N 3.45Å; R454-E457 PolarHBondContact O-N 3.16Å; R454-L458 WeakPolarHBondContact O-CG 3.45Å; R454-L458 PolarHBondContact O-N 2.92Å |
| 455 | T | 97.8 | Very high | 97.7 | Very high | 21 Ų | 21 | 90.7 Ų | 90.7 | 13% | 0.129 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -71.8 | -29.8 | 179.1 | 60 | 0 | 0 | 0 | 0 | 112.9 | I436 P448 H451 T452 I453 L458 H459 | I436-T455 WeakPolarHBondContact CD1-O 3.24Å; P448-T455 HydrophobicContact CG-CG2 4.1Å; H451-T455 VanDerWaalsContact CA-OG1 3.28Å; H451-T455 WeakPolarHBondContact CA-OG1 3.34Å; H451-T455 PolarHBondContact ND1-OG1 3.04Å; T452-T455 PolarHBondContact N-OG1 3.5Å; T452-T455 PolarHBondContact O-N 3.25Å; T452-T455 PolarHBondContact O-OG1 3.29Å; T452-T455 WeakPolarHBondContact OG1-CG2 3.32Å; T452-T455 PolarHBondContact OG1-N 3.39Å; T452-T455 PolarHBondContact OG1-OG1 3.15Å; I453-T455 PolarHBondContact O-N 3.21Å; T455-L458 PolarHBondContact O-N 2.9Å; T455-H459 WeakPolarHBondContact O-CB 3.46Å; T455-H459 PolarHBondContact O-N 3.48Å |
| 456 | M | 98 | Very high | 97.6 | Very high | 88 Ų | 88 | 89 Ų | 89 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 172.5 | -65.2 | -164.3 | -47.5 | 0 | 0 | 111.3 | H451 T452 I453 H459 K460 | H451-M456 HydrophobicContact CB-CG 3.69Å; T452-M456 WeakPolarHBondContact O-CG 3.47Å; T452-M456 PolarHBondContact O-N 3.33Å; I453-M456 PolarHBondContact O-N 3.41Å; M456-H459 PolarHBondContact O-N 3.19Å; M456-K460 WeakPolarHBondContact O-CG 3.35Å; M456-K460 PolarHBondContact O-N 3.45Å |
| 457 | E | 98 | Very high | 97.6 | Very high | 105 Ų | 105 | 88.8 Ų | 88.8 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 174 | -70.4 | 175.1 | -174.4 | 0 | 0 | 111.8 | I453 R454 K460 K461 | I453-E457 PolarHBondContact O-N 3.2Å; R454-E457 PolarHBondContact O-N 3.16Å; E457-K460 PolarHBondContact O-N 3.2Å; E457-K461 VanDerWaalsContact O-CG 3.27Å; E457-K461 WeakPolarHBondContact O-CG 3.34Å; E457-K461 PolarHBondContact O-N 3.21Å |
| 458 | L | 97.8 | Very high | 97.7 | Very high | 61 Ų | 61 | 89.9 Ų | 89.9 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.1 | -72 | 172.6 | 0 | 0 | 0 | 112.1 | I436 R454 T455 K461 S462 | I436-L458 HydrophobicContact CD1-CB 4.36Å; I436-L458 HydrophobicContact CG2-CB 3.89Å; R454-L458 WeakPolarHBondContact O-CG 3.45Å; R454-L458 PolarHBondContact O-N 2.92Å; T455-L458 PolarHBondContact O-N 2.9Å; L458-K461 WeakPolarHBondContact O-CB 3.3Å; L458-K461 PolarHBondContact O-N 3.43Å; L458-S462 PolarHBondContact O-N 3.19Å; L458-S462 PolarHBondContact O-OG 3.16Å |
| 459 | H | 97.9 | Very high | 97.6 | Very high | 41 Ų | 41 | 89.8 Ų | 89.8 | 19% | 0.19 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.8 | -178.6 | 53.7 | 0 | 0 | 0 | 112.2 | Q433 S434 I436 T455 M456 K461 S462 Q463 | Q433-H459 PolarHBondContact O-CE1 3.42Å; S434-H459 VanDerWaalsContact C-CE1 3.49Å; S434-H459 PolarHBondContact O-CE1 3.06Å; I436-H459 HydrophobicContact CD1-CB 4.23Å; I436-H459 HydrophobicContact CG1-CB 3.84Å; T455-H459 WeakPolarHBondContact O-CB 3.46Å; T455-H459 PolarHBondContact O-N 3.48Å; M456-H459 PolarHBondContact O-N 3.19Å; H459-K461 VanDerWaalsContact C-N 3.28Å; H459-K461 PolarHBondContact O-N 3.4Å; H459-S462 WeakPolarHBondContact CA-OG 3.43Å; H459-S462 PolarHBondContact O-N 3.31Å; H459-S462 PolarHBondContact O-OG 3.33Å; H459-Q463 WeakPolarHBondContact O-CB 3.44Å; H459-Q463 PolarHBondContact O-N 2.9Å |
| 460 | K | 98 | Very high | 97.6 | Very high | 121 Ų | 121 | 85 Ų | 85 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -36 | 174.1 | -73 | 179 | 179.7 | -175.1 | 0 | 112.3 | M456 E457 R464 | M456-K460 WeakPolarHBondContact O-CG 3.35Å; M456-K460 PolarHBondContact O-N 3.45Å; E457-K460 PolarHBondContact O-N 3.2Å; K460-R464 VanDerWaalsContact O-CG 3.3Å; K460-R464 WeakPolarHBondContact O-CG 3.5Å; K460-R464 PolarHBondContact O-N 3.48Å; K460-R464 VanDerWaalsContact O-N 3.17Å |
| 461 | K | 97.5 | Very high | 97.7 | Very high | 123 Ų | 123 | 79.7 Ų | 79.7 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67 | -46 | 174.6 | -73.4 | 171.6 | -177.3 | 178.9 | 0 | 111.5 | E457 L458 H459 R464 V465 | E457-K461 VanDerWaalsContact O-CG 3.27Å; E457-K461 WeakPolarHBondContact O-CG 3.34Å; E457-K461 PolarHBondContact O-N 3.21Å; L458-K461 WeakPolarHBondContact O-CB 3.3Å; L458-K461 PolarHBondContact O-N 3.43Å; H459-K461 VanDerWaalsContact C-N 3.28Å; H459-K461 PolarHBondContact O-N 3.4Å; K461-R464 PolarHBondContact O-N 3.05Å; K461-V465 WeakPolarHBondContact O-CG2 3.38Å; K461-V465 PolarHBondContact O-N 3.24Å; K461-V465 VanDerWaalsContact O-N 3.12Å |
| 462 | S | 97.1 | Very high | 97.7 | Very high | 9 Ų | 9 | 81.9 Ų | 81.9 | 6% | 0.063 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 178.2 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | F435 L458 H459 R464 V465 L466 | F435-S462 PolarHBondContact O-OG 3.15Å; L458-S462 PolarHBondContact O-N 3.19Å; L458-S462 PolarHBondContact O-OG 3.16Å; H459-S462 WeakPolarHBondContact CA-OG 3.43Å; H459-S462 PolarHBondContact O-N 3.31Å; H459-S462 PolarHBondContact O-OG 3.33Å; S462-R464 PolarHBondContact O-N 3.09Å; S462-V465 PolarHBondContact O-N 3.45Å; S462-L466 WeakPolarHBondContact O-CG 3.39Å; S462-L466 PolarHBondContact O-N 2.88Å |
| 463 | Q | 97.6 | Very high | 97.6 | Very high | 67 Ų | 67 | 78.5 Ų | 78.5 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 174.8 | -173.3 | -175.6 | -7.8 | 0 | 0 | 111.6 | H459 V465 L466 E467 | H459-Q463 WeakPolarHBondContact O-CB 3.44Å; H459-Q463 PolarHBondContact O-N 2.9Å; Q463-V465 PolarHBondContact O-N 3.05Å; Q463-L466 PolarHBondContact O-N 3.19Å; Q463-E467 HydrophobicContact CG-CG 4.5Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.33Å; Q463-E467 PolarHBondContact NE2-OE1 3.43Å; Q463-E467 WeakPolarHBondContact O-CB 3.27Å; Q463-E467 WeakPolarHBondContact O-CG 3.28Å; Q463-E467 PolarHBondContact O-N 2.83Å |
| 464 | R | 97.7 | Very high | 97.6 | Very high | 155 Ų | 155 | 78.2 Ų | 78.2 | 59% | 0.585 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 176.5 | -72.6 | 173.5 | -170.7 | 173.9 | 0.3 | 112.6 | K460 K461 S462 L466 E467 E468 | K460-R464 VanDerWaalsContact O-CG 3.3Å; K460-R464 WeakPolarHBondContact O-CG 3.5Å; K460-R464 PolarHBondContact O-N 3.48Å; K460-R464 VanDerWaalsContact O-N 3.17Å; K461-R464 PolarHBondContact O-N 3.05Å; S462-R464 PolarHBondContact O-N 3.09Å; R464-L466 VanDerWaalsContact C-N 3.31Å; R464-L466 PolarHBondContact O-N 3.11Å; R464-E467 PolarHBondContact O-N 2.97Å; R464-E468 WeakPolarHBondContact O-CG 3.32Å; R464-E468 PolarHBondContact O-N 3.04Å |
| 465 | V | 96.7 | Very high | 97.6 | Very high | 92 Ų | 92 | 75.5 Ų | 75.5 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 111 | K461 S462 Q463 S469 | K461-V465 WeakPolarHBondContact O-CG2 3.38Å; K461-V465 PolarHBondContact O-N 3.24Å; K461-V465 VanDerWaalsContact O-N 3.12Å; S462-V465 PolarHBondContact O-N 3.45Å; Q463-V465 PolarHBondContact O-N 3.05Å; V465-S469 WeakPolarHBondContact O-CB 3.27Å; V465-S469 PolarHBondContact O-N 3.45Å; V465-S469 PolarHBondContact O-OG 3.43Å |
| 466 | L | 96.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 78.6 Ų | 78.6 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.1 | -74.2 | 171.1 | 0 | 0 | 0 | 111.9 | M429 L432 Q433 V437 S462 Q463 R464 S469 I470 | M429-L466 HydrophobicContact CE-CD2 4.28Å; L432-L466 HydrophobicContact CB-CD1 3.99Å; L432-L466 HydrophobicContact CB-CD2 4.46Å; L432-L466 WeakPolarHBondContact O-CD1 3.44Å; Q433-L466 HydrophobicContact CG-CB 4.36Å; Q433-L466 HydrophobicContact CG-CD1 4.39Å; V437-L466 HydrophobicContact CG2-CD1 4.22Å; S462-L466 WeakPolarHBondContact O-CG 3.39Å; S462-L466 PolarHBondContact O-N 2.88Å; Q463-L466 PolarHBondContact O-N 3.19Å; R464-L466 VanDerWaalsContact C-N 3.31Å; R464-L466 PolarHBondContact O-N 3.11Å; L466-S469 VanDerWaalsContact CA-OG 3.28Å; L466-S469 WeakPolarHBondContact CA-OG 3.46Å; L466-S469 PolarHBondContact O-N 2.89Å; L466-S469 PolarHBondContact O-OG 3.47Å; L466-I470 VanDerWaalsContact O-CG1 3.27Å; L466-I470 WeakPolarHBondContact O-CG1 3.42Å; L466-I470 PolarHBondContact O-N 3.26Å |
| 467 | E | 97.8 | Very high | 97.6 | Very high | 86 Ų | 86 | 75.9 Ų | 75.9 | 40% | 0.402 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.1 | -74.2 | 168.3 | -177.3 | 0 | 0 | 112.2 | Q463 R464 S469 I470 A471 | Q463-E467 HydrophobicContact CG-CG 4.5Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.33Å; Q463-E467 PolarHBondContact NE2-OE1 3.43Å; Q463-E467 WeakPolarHBondContact O-CB 3.27Å; Q463-E467 WeakPolarHBondContact O-CG 3.28Å; Q463-E467 PolarHBondContact O-N 2.83Å; R464-E467 PolarHBondContact O-N 2.97Å; E467-S469 VanDerWaalsContact C-N 3.34Å; E467-S469 PolarHBondContact O-N 2.86Å; E467-I470 PolarHBondContact O-N 3.2Å; E467-A471 PolarHBondContact O-N 3.49Å |
| 468 | E | 97.8 | Very high | 97.6 | Very high | 118 Ų | 118 | 74.2 Ų | 74.2 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 173.5 | -73.7 | 171.5 | -163 | 0 | 0 | 111.6 | R464 A471 K472 | R464-E468 WeakPolarHBondContact O-CG 3.32Å; R464-E468 PolarHBondContact O-N 3.04Å; E468-A471 WeakPolarHBondContact O-CB 2.91Å; E468-A471 PolarHBondContact O-N 2.84Å; E468-K472 WeakPolarHBondContact O-CG 3.4Å; E468-K472 PolarHBondContact O-N 2.95Å |
| 469 | S | 96.8 | Very high | 97.5 | Very high | 27 Ų | 27 | 73.6 Ų | 73.6 | 19% | 0.189 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 177.6 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | M429 V465 L466 E467 A471 K472 V473 | M429-S469 WeakPolarHBondContact CE-OG 3.38Å; V465-S469 WeakPolarHBondContact O-CB 3.27Å; V465-S469 PolarHBondContact O-N 3.45Å; V465-S469 PolarHBondContact O-OG 3.43Å; L466-S469 VanDerWaalsContact CA-OG 3.28Å; L466-S469 WeakPolarHBondContact CA-OG 3.46Å; L466-S469 PolarHBondContact O-N 2.89Å; L466-S469 PolarHBondContact O-OG 3.47Å; E467-S469 VanDerWaalsContact C-N 3.34Å; E467-S469 PolarHBondContact O-N 2.86Å; S469-A471 VanDerWaalsContact C-N 3.29Å; S469-A471 PolarHBondContact O-N 2.98Å; S469-K472 PolarHBondContact O-N 2.95Å; S469-V473 WeakPolarHBondContact O-CG2 3.47Å; S469-V473 PolarHBondContact O-N 3.12Å |
| 470 | I | 97.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.051 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 172.3 | -71 | 164.9 | 0 | 0 | 0 | 110.3 | I426 M429 K430 L466 E467 V473 R474 | I426-I470 HydrophobicContact CG1-CG2 4.47Å; I426-I470 HydrophobicContact CG2-CG2 4.1Å; M429-I470 HydrophobicContact CB-CD1 3.85Å; M429-I470 HydrophobicContact CB-CG1 3.63Å; M429-I470 HydrophobicContact CG-CG1 4.35Å; M429-I470 HydrophobicContact SD-CG1 3.8Å; K430-I470 HydrophobicContact CG-CD1 4.25Å; L466-I470 VanDerWaalsContact O-CG1 3.27Å; L466-I470 WeakPolarHBondContact O-CG1 3.42Å; L466-I470 PolarHBondContact O-N 3.26Å; E467-I470 PolarHBondContact O-N 3.2Å; I470-V473 PolarHBondContact O-N 3.09Å; I470-R474 VanDerWaalsContact O-CG 3.27Å; I470-R474 WeakPolarHBondContact O-CG 3.43Å; I470-R474 PolarHBondContact O-N 3.18Å |
| 471 | A | 98 | Very high | 97.3 | Very high | 56 Ų | 56 | 69.8 Ų | 69.8 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E467 E468 S469 R474 E475 | E467-A471 PolarHBondContact O-N 3.49Å; E468-A471 WeakPolarHBondContact O-CB 2.91Å; E468-A471 PolarHBondContact O-N 2.84Å; S469-A471 VanDerWaalsContact C-N 3.29Å; S469-A471 PolarHBondContact O-N 2.98Å; A471-R474 PolarHBondContact O-N 2.85Å; A471-E475 PolarHBondContact O-N 3.44Å |
| 472 | K | 98 | Very high | 97.2 | Very high | 129 Ų | 129 | 72.6 Ų | 72.6 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.4 | -48.1 | 174.8 | -69.4 | 175.8 | -176.1 | -178.3 | 0 | 112.5 | E468 S469 R474 E475 D476 | E468-K472 WeakPolarHBondContact O-CG 3.4Å; E468-K472 PolarHBondContact O-N 2.95Å; S469-K472 PolarHBondContact O-N 2.95Å; K472-R474 PolarHBondContact O-N 2.95Å; K472-E475 WeakPolarHBondContact O-CA 3.46Å; K472-E475 WeakPolarHBondContact O-CB 3.43Å; K472-E475 PolarHBondContact O-N 3.5Å; K472-D476 PolarHBondContact O-N 3.04Å |
| 473 | V | 97.5 | Very high | 97 | Very high | 11 Ų | 11 | 77.7 Ų | 77.7 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.9 | -38.3 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | H422 E425 I426 M429 S469 I470 D476 M477 | H422-V473 HydrophobicContact CB-CG1 4.3Å; E425-V473 HydrophobicContact CG-CG1 4.39Å; E425-V473 HydrophobicContact CG-CG2 4.41Å; I426-V473 HydrophobicContact CD1-CG1 4.21Å; I426-V473 HydrophobicContact CG1-CB 4.4Å; I426-V473 HydrophobicContact CG1-CG1 3.84Å; M429-V473 HydrophobicContact SD-CG2 4.29Å; S469-V473 WeakPolarHBondContact O-CG2 3.47Å; S469-V473 PolarHBondContact O-N 3.12Å; I470-V473 PolarHBondContact O-N 3.09Å; V473-D476 PolarHBondContact O-N 2.7Å; V473-M477 WeakPolarHBondContact O-CB 3.28Å; V473-M477 PolarHBondContact O-N 3.25Å |
| 474 | R | 97.7 | Very high | 96.7 | Very high | 119 Ų | 119 | 74.6 Ų | 74.6 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | 174.3 | -73 | 172.3 | 176.7 | -171.5 | -1.6 | 112.9 | I426 I470 A471 K472 N478 | I426-R474 HydrophobicContact CD1-CG 3.66Å; I470-R474 VanDerWaalsContact O-CG 3.27Å; I470-R474 WeakPolarHBondContact O-CG 3.43Å; I470-R474 PolarHBondContact O-N 3.18Å; A471-R474 PolarHBondContact O-N 2.85Å; K472-R474 PolarHBondContact O-N 2.95Å; R474-N478 WeakPolarHBondContact O-CB 3.45Å; R474-N478 PolarHBondContact O-N 3.34Å; R474-N478 PolarHBondContact O-ND2 3.31Å; R474-N478 VanDerWaalsContact O-ND2 3.11Å |
| 475 | E | 97.8 | Very high | 96.4 | Very high | 135 Ų | 135 | 69.2 Ų | 69.2 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 174.9 | -173.6 | 171.6 | -164.3 | 0 | 0 | 110.9 | A471 K472 N478 A479 | A471-E475 PolarHBondContact O-N 3.44Å; K472-E475 WeakPolarHBondContact O-CA 3.46Å; K472-E475 WeakPolarHBondContact O-CB 3.43Å; K472-E475 PolarHBondContact O-N 3.5Å; E475-N478 PolarHBondContact O-N 3.27Å; E475-A479 WeakPolarHBondContact O-CB 3.38Å; E475-A479 PolarHBondContact O-N 2.98Å |
| 476 | D | 97.5 | Very high | 96.2 | Very high | 86 Ų | 86 | 67.5 Ų | 67.5 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -44 | 176.2 | -69.3 | -22 | 0 | 0 | 0 | 111.9 | K472 V473 N478 A479 Q480 | K472-D476 PolarHBondContact O-N 3.04Å; V473-D476 PolarHBondContact O-N 2.7Å; D476-N478 VanDerWaalsContact C-N 3.32Å; D476-N478 PolarHBondContact O-N 2.98Å; D476-A479 PolarHBondContact O-N 3.23Å; D476-Q480 WeakPolarHBondContact O-CG 3.39Å; D476-Q480 PolarHBondContact O-N 3.35Å |
| 477 | M | 97.7 | Very high | 95.6 | Very high | 30 Ų | 30 | 69.3 Ų | 69.3 | 15% | 0.148 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 173.4 | -177.2 | -172.6 | 69 | 0 | 0 | 111.1 | I418 H422 V473 Q480 L481 | I418-M477 HydrophobicContact CG2-CG 4.44Å; H422-M477 HydrophobicContact CB-CB 3.9Å; H422-M477 HydrophobicContact CB-CG 3.82Å; H422-M477 HydrophobicContact CB-SD 3.86Å; V473-M477 WeakPolarHBondContact O-CB 3.28Å; V473-M477 PolarHBondContact O-N 3.25Å; M477-Q480 PolarHBondContact O-N 2.98Å; M477-L481 HydrophobicContact CG-CD1 4.36Å; M477-L481 VanDerWaalsContact O-CG 3.31Å; M477-L481 WeakPolarHBondContact O-CG 3.33Å; M477-L481 PolarHBondContact O-N 3.02Å |
| 478 | N | 97.2 | Very high | 94.6 | Very high | 71 Ų | 71 | 67 Ų | 67 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 179.1 | -73 | -30.2 | 0 | 0 | 0 | 112.3 | R474 E475 D476 L481 R482 | R474-N478 WeakPolarHBondContact O-CB 3.45Å; R474-N478 PolarHBondContact O-N 3.34Å; R474-N478 PolarHBondContact O-ND2 3.31Å; R474-N478 VanDerWaalsContact O-ND2 3.11Å; E475-N478 PolarHBondContact O-N 3.27Å; D476-N478 VanDerWaalsContact C-N 3.32Å; D476-N478 PolarHBondContact O-N 2.98Å; N478-L481 PolarHBondContact O-N 3.35Å; N478-R482 WeakPolarHBondContact O-CG 3.47Å; N478-R482 PolarHBondContact O-N 2.89Å |
| 479 | A | 96.9 | Very high | 93.3 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E475 D476 L481 R482 E483 | E475-A479 WeakPolarHBondContact O-CB 3.38Å; E475-A479 PolarHBondContact O-N 2.98Å; D476-A479 PolarHBondContact O-N 3.23Å; A479-L481 PolarHBondContact O-N 3.05Å; A479-R482 PolarHBondContact O-N 3.33Å; A479-E483 PolarHBondContact O-N 3.43Å |
| 480 | Q | 95.4 | Very high | 91.8 | Very high | 72 Ų | 72 | 72.2 Ų | 72.2 | 34% | 0.336 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 176.9 | -69 | 176.1 | 18.1 | 0 | 0 | 112.6 | I418 H422 D476 M477 E483 I484 | I418-Q480 HydrophobicContact CD1-CB 4.18Å; I418-Q480 HydrophobicContact CG2-CB 4.04Å; H422-Q480 PolarHBondContact NE2-NE2 3.07Å; H422-Q480 PolarHBondContact NE2-OE1 3.45Å; D476-Q480 WeakPolarHBondContact O-CG 3.39Å; D476-Q480 PolarHBondContact O-N 3.35Å; M477-Q480 PolarHBondContact O-N 2.98Å; Q480-E483 PolarHBondContact O-N 2.96Å; Q480-I484 PolarHBondContact O-N 3.23Å; Q480-I484 VanDerWaalsContact O-N 3.15Å |
| 481 | L | 95.6 | Very high | 90 | Very high | 11 Ų | 11 | 77.8 Ų | 77.8 | 6% | 0.058 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65 | -41 | 174.5 | -73 | 173.8 | 0 | 0 | 0 | 112 | M1 K415 V419 M477 N478 A479 E483 I484 D485 | M1-L481 HydrophobicContact CE-CD1 4.19Å; K415-L481 HydrophobicContact CB-CD2 3.89Å; K415-L481 HydrophobicContact CG-CD2 3.91Å; V419-L481 HydrophobicContact CG2-CD1 4.1Å; V419-L481 HydrophobicContact CG2-CD2 4.17Å; M477-L481 HydrophobicContact CG-CD1 4.36Å; M477-L481 VanDerWaalsContact O-CG 3.31Å; M477-L481 WeakPolarHBondContact O-CG 3.33Å; M477-L481 PolarHBondContact O-N 3.02Å; N478-L481 PolarHBondContact O-N 3.35Å; A479-L481 PolarHBondContact O-N 3.05Å; L481-E483 VanDerWaalsContact C-N 3.34Å; L481-I484 PolarHBondContact O-N 2.89Å; L481-D485 PolarHBondContact O-N 2.74Å |
| 482 | R | 95 | Very high | 88 | Confident | 182 Ų | 182 | 79.6 Ų | 79.6 | 69% | 0.687 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.2 | -37.2 | 174.6 | -71.8 | 173.9 | -170 | 161 | 3.3 | 112.3 | N478 A479 D485 A486 | N478-R482 WeakPolarHBondContact O-CG 3.47Å; N478-R482 PolarHBondContact O-N 2.89Å; A479-R482 PolarHBondContact O-N 3.33Å; R482-D485 PolarHBondContact O-N 3.27Å; R482-A486 WeakPolarHBondContact O-CB 3.49Å; R482-A486 PolarHBondContact O-N 2.91Å |
| 483 | E | 94 | Very high | 86 | Confident | 115 Ų | 115 | 76 Ų | 76 | 54% | 0.537 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.4 | -173.5 | -178 | 175.8 | 0 | 0 | 111 | A479 Q480 L481 D485 A486 M487 | A479-E483 PolarHBondContact O-N 3.43Å; Q480-E483 PolarHBondContact O-N 2.96Å; L481-E483 VanDerWaalsContact C-N 3.34Å; E483-D485 VanDerWaalsContact C-N 3.35Å; E483-D485 PolarHBondContact O-N 3.43Å; E483-A486 PolarHBondContact O-N 3.38Å; E483-M487 WeakPolarHBondContact O-CG 3.35Å; E483-M487 PolarHBondContact O-N 3.32Å |
| 484 | I | 91.9 | Very high | 84 | Confident | 3 Ų | 3 | 83.5 Ų | 83.5 | 2% | 0.015 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 174.3 | -69 | 172.9 | 0 | 0 | 0 | 110.8 | R411 R414 K415 I418 Q480 L481 A486 M487 D488 | R411-I484 HydrophobicContact CG-CG2 4.35Å; R414-I484 HydrophobicContact CB-CD1 4.1Å; R414-I484 HydrophobicContact CG-CD1 3.56Å; R414-I484 HydrophobicContact CG-CG1 4.35Å; K415-I484 HydrophobicContact CG-CD1 4.28Å; K415-I484 HydrophobicContact CG-CG2 3.93Å; I418-I484 HydrophobicContact CD1-CD1 3.17Å; I418-I484 HydrophobicContact CD1-CG1 4.3Å; Q480-I484 PolarHBondContact O-N 3.23Å; Q480-I484 VanDerWaalsContact O-N 3.15Å; L481-I484 PolarHBondContact O-N 2.89Å; I484-A486 PolarHBondContact O-N 2.95Å; I484-M487 PolarHBondContact O-N 3.49Å; I484-M487 VanDerWaalsContact O-N 3.16Å; I484-D488 VanDerWaalsContact CG2-OD2 3.31Å; I484-D488 WeakPolarHBondContact CG2-OD2 3.49Å; I484-D488 PolarHBondContact O-N 3.26Å |
| 485 | D | 91.5 | Very high | 81.9 | Confident | 42 Ų | 42 | 82.1 Ų | 82.1 | 23% | 0.225 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.2 | -32.3 | 177.9 | -74.6 | -29.1 | 0 | 0 | 0 | 113.4 | R411 K415 L481 R482 E483 N489 | R411-D485 IonicContact CZ-OD1 2.9Å; R411-D485 IonicContact NE-OD1 3.96Å; R411-D485 IonicContact NH2-OD1 2.68Å; R411-D485 PolarHBondContact NH2-OD1 2.87Å; K415-D485 WeakPolarHBondContact CE-OD1 3.32Å; K415-D485 IonicContact NZ-OD1 2.59Å; K415-D485 PolarHBondContact NZ-OD1 2.86Å; K415-D485 IonicContact NZ-OD2 3.65Å; L481-D485 PolarHBondContact O-N 2.74Å; R482-D485 PolarHBondContact O-N 3.27Å; E483-D485 VanDerWaalsContact C-N 3.35Å; E483-D485 PolarHBondContact O-N 3.43Å; D485-N489 PolarHBondContact O-ND2 2.9Å |
| 486 | A | 90.9 | Very high | 79.8 | Confident | 55 Ų | 55 | 78.6 Ų | 78.6 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -75 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | R482 E483 I484 D488 N489 | R482-A486 WeakPolarHBondContact O-CB 3.49Å; R482-A486 PolarHBondContact O-N 2.91Å; E483-A486 PolarHBondContact O-N 3.38Å; I484-A486 PolarHBondContact O-N 2.95Å; A486-D488 VanDerWaalsContact C-N 3.34Å; A486-D488 PolarHBondContact O-N 3.27Å; A486-N489 PolarHBondContact O-N 3.44Å |
| 487 | M | 84.7 | Confident | 77.7 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 25% | 0.246 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 177.9 | -71.7 | -173.5 | 73.3 | 0 | 0 | 112.1 | E483 I484 N489 V490 E491 | E483-M487 WeakPolarHBondContact O-CG 3.35Å; E483-M487 PolarHBondContact O-N 3.32Å; I484-M487 PolarHBondContact O-N 3.49Å; I484-M487 VanDerWaalsContact O-N 3.16Å; M487-N489 PolarHBondContact O-N 3.36Å; M487-V490 PolarHBondContact O-N 3.17Å; M487-E491 VanDerWaalsContact CE-OE1 3.26Å; M487-E491 WeakPolarHBondContact CE-OE1 3.28Å; M487-E491 PolarHBondContact O-N 3.36Å; M487-E491 VanDerWaalsContact O-N 3.13Å |
| 488 | D | 77.5 | Confident | 75.6 | Confident | 39 Ų | 39 | 83.4 Ų | 83.4 | 21% | 0.209 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.3 | -178 | -63.4 | -43.6 | 0 | 0 | 0 | 113 | R411 I484 A486 V492 | R411-D488 VanDerWaalsContact CD-CG 3.49Å; R411-D488 WeakPolarHBondContact CD-OD2 3.4Å; R411-D488 WeakPolarHBondContact CG-OD2 3.46Å; R411-D488 IonicContact CZ-OD2 3.95Å; R411-D488 IonicContact NE-OD2 3.56Å; R411-D488 PolarHBondContact NE-OD2 2.85Å; R411-D488 IonicContact NH2-OD2 3.63Å; I484-D488 VanDerWaalsContact CG2-OD2 3.31Å; I484-D488 WeakPolarHBondContact CG2-OD2 3.49Å; I484-D488 PolarHBondContact O-N 3.26Å; A486-D488 VanDerWaalsContact C-N 3.34Å; A486-D488 PolarHBondContact O-N 3.27Å; D488-V492 WeakPolarHBondContact O-CG2 3.36Å |
| 489 | N | 69.7 | Low | 73.5 | Confident | 134 Ų | 134 | 88.3 Ų | 88.3 | 72% | 0.717 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -17.5 | 175.1 | -64.8 | -33.9 | 0 | 0 | 0 | 112.8 | D485 A486 M487 | D485-N489 PolarHBondContact O-ND2 2.9Å; A486-N489 PolarHBondContact O-N 3.44Å; M487-N489 PolarHBondContact O-N 3.36Å |
| 490 | V | 66.3 | Low | 71.5 | Confident | 120 Ų | 120 | 90.7 Ų | 90.7 | 73% | 0.727 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -30.7 | -174.5 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | M487 | M487-V490 PolarHBondContact O-N 3.17Š|
| 491 | E | 59.1 | Low | 69.6 | Low | 126 Ų | 126 | 92.5 Ų | 92.5 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 0.7 | -167.7 | -70 | -174.3 | 173.2 | 0 | 0 | 116.3 | M487 G493 | M487-E491 VanDerWaalsContact CE-OE1 3.26Å; M487-E491 WeakPolarHBondContact CE-OE1 3.28Å; M487-E491 PolarHBondContact O-N 3.36Å; M487-E491 VanDerWaalsContact O-N 3.13Å; E491-G493 PolarHBondContact O-N 3.25Å; E491-G493 VanDerWaalsContact O-N 3.17Å |
| 492 | V | 57.3 | Low | 67.4 | Low | 94 Ų | 94 | 100.7 Ų | 100.7 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -12 | -178.4 | -174.9 | 0 | 0 | 0 | 0 | 112.9 | D488 | D488-V492 WeakPolarHBondContact O-CG2 3.36Š|
| 493 | G | 55.1 | Low | 65.1 | Low | 55 Ų | 55 | 95.6 Ų | 95.6 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -76.7 | -52.1 | -169 | 0 | 0 | 0 | 0 | 0 | 117.2 | E491 | E491-G493 PolarHBondContact O-N 3.25Å; E491-G493 VanDerWaalsContact O-N 3.17Å |
| 494 | E | 55.1 | Low | 63.2 | Low | 167 Ų | 167 | 95.5 Ų | 95.5 | 78% | 0.78 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -140.4 | -30.1 | -148.9 | -62.6 | -175.4 | 162.5 | 0 | 0 | 116.7 | ||
| 495 | A | 54.5 | Low | 61.3 | Low | 91 Ų | 91 | 104.1 Ų | 104.1 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -26.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 496 | E | 54 | Low | 59.4 | Low | 61 Ų | 61 | 108.2 Ų | 108.2 | 29% | 0.285 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.1 | -3.7 | -178.6 | -63.7 | -163.6 | 152.9 | 0 | 0 | 114.1 | L407 R410 E498 | L407-E496 WeakPolarHBondContact CD2-OE2 3.37Å; R410-E496 IonicContact CZ-OE1 3.8Å; R410-E496 IonicContact NH1-OE1 2.68Å; R410-E496 PolarHBondContact NH1-OE1 3.23Å; E496-E498 PolarHBondContact O-N 3.48Å |
| 497 | A | 52.8 | Low | 57.5 | Low | 45 Ų | 45 | 110.1 Ų | 110.1 | 37% | 0.372 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.5 | -14.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V501 | A497-V501 WeakPolarHBondContact O-CG2 3.44Š|
| 498 | E | 53.7 | Low | 56 | Low | 171 Ų | 171 | 115.6 Ų | 115.6 | 80% | 0.799 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -20.2 | -176.2 | -61.3 | -164.7 | 165 | 0 | 0 | 114.1 | E496 | E496-E498 PolarHBondContact O-N 3.48Š|
| 499 | E | 53.6 | Low | 54.9 | Low | 175 Ų | 175 | 124.1 Ų | 124.1 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -27.7 | -173.8 | -156 | 169.8 | -167.9 | 0 | 0 | 113.1 | ||
| 500 | E | 54.2 | Low | 54.2 | Low | 96 Ų | 96 | 125 Ų | 125 | 45% | 0.449 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -96 | -5 | -176.8 | -127.9 | 175 | -166.8 | 0 | 0 | 114.4 | R406 H502 | R406-E500 IonicContact CZ-OE1 3.68Å; R406-E500 IonicContact NH1-OE1 2.61Å; R406-E500 PolarHBondContact NH1-OE1 2.98Å; E500-H502 PolarHBondContact O-N 3.48Å |
| 501 | V | 54.7 | Low | 53.7 | Low | 111 Ų | 111 | 123.5 Ų | 123.5 | 67% | 0.673 | 65% | 0.647 | S | S | * | * | trans | -78.1 | -3.4 | 179.1 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | A497 S503 | A497-V501 WeakPolarHBondContact O-CG2 3.44Å; V501-S503 PolarHBondContact O-N 3.12Å | ||
| 502 | H | 50.3 | Low | 53.7 | Low | 183 Ų | 183 | 123.7 Ų | 123.7 | 85% | 0.847 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -84.2 | 89.4 | 170.6 | -106.9 | 47.5 | 0 | 0 | 0 | 112.3 | E500 | E500-H502 PolarHBondContact O-N 3.48Š|
| 503 | S | 46.1 | Very low | 53.7 | Low | 74 Ų | 74 | 125.8 Ų | 125.8 | 52% | 0.517 | 66% | 0.655 | S | S | . | * | trans | 89.7 | 81 | 160.5 | -156.9 | 0 | 0 | 0 | 0 | 118.7 | V501 E505 | V501-S503 PolarHBondContact O-N 3.12Å; S503-E505 PolarHBondContact O-N 2.78Å; S503-E505 VanDerWaalsContact O-N 3.14Å | ||
| 504 | P | 53.4 | Low | 53.7 | Low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 9.7 | 165.8 | 30.6 | -35.2 | 0 | 0 | 0 | 114.6 | ||
| 505 | E | 53.4 | Low | 53.7 | Low | 184 Ų | 184 | 125.9 Ų | 125.9 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 1.6 | -173.7 | -69.2 | -168.6 | 160.4 | 0 | 0 | 114.7 | S503 | S503-E505 PolarHBondContact O-N 2.78Å; S503-E505 VanDerWaalsContact O-N 3.14Å |
| 506 | N | 50.2 | Low | 53.7 | Low | 129 Ų | 129 | 126.1 Ų | 126.1 | 69% | 0.69 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -130.1 | 12.1 | -175.3 | -141 | 19 | 0 | 0 | 0 | 115.7 | N508 | N506-N508 VanDerWaalsContact C-N 3.25Å; N506-N508 PolarHBondContact O-N 3.32Å; N506-N508 VanDerWaalsContact O-N 3.16Å |
| 507 | E | 52.5 | Low | 53.7 | Low | 95 Ų | 95 | 128 Ų | 128 | 44% | 0.444 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | 4.4 | -173.2 | -74.2 | -164.4 | 138.3 | 0 | 0 | 116.3 | Y509 M511 | E507-Y509 VanDerWaalsContact C-N 3.33Å; E507-Y509 PolarHBondContact O-N 3.39Å; E507-M511 HydrophobicContact CG-CE 4.41Å; E507-M511 WeakPolarHBondContact OE1-CE 3.41Å |
| 508 | N | 53.7 | Low | 53.7 | Low | 164 Ų | 164 | 130.1 Ų | 130.1 | 88% | 0.877 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 8.1 | 177.9 | -94.8 | -3.7 | 0 | 0 | 0 | 114.8 | N506 | N506-N508 VanDerWaalsContact C-N 3.25Å; N506-N508 PolarHBondContact O-N 3.32Å; N506-N508 VanDerWaalsContact O-N 3.16Å |
| 509 | Y | 53.7 | Low | 53.1 | Low | 219 Ų | 219 | 130.6 Ų | 130.6 | 86% | 0.859 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -145.5 | 8.9 | -175.2 | -122.1 | -94 | 0 | 0 | 0 | 117.5 | E507 | E507-Y509 VanDerWaalsContact C-N 3.33Å; E507-Y509 PolarHBondContact O-N 3.39Å |
| 510 | F | 53.7 | Low | 53.2 | Low | 151 Ų | 151 | 129.1 Ų | 129.1 | 66% | 0.662 | 65% | 0.652 | S | S | * | * | trans | -132.8 | 5.8 | -168.7 | -137.3 | -98.5 | 0 | 0 | 0 | 117.2 | D512 | F510-D512 PolarHBondContact O-N 2.92Š| ||
| 511 | M | 57.2 | Low | 53.1 | Low | 89 Ų | 89 | 132.1 Ų | 132.1 | 44% | 0.438 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.7 | 4 | -171.2 | -75.5 | -75.9 | -178.8 | 0 | 0 | 116.1 | E507 | E507-M511 HydrophobicContact CG-CE 4.41Å; E507-M511 WeakPolarHBondContact OE1-CE 3.41Å |
| 512 | D | 57.9 | Low | 52.9 | Low | 131 Ų | 131 | 131.3 Ų | 131.3 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -17.5 | -171.8 | -77.5 | -30.3 | 0 | 0 | 0 | 116.3 | F510 | F510-D512 PolarHBondContact O-N 2.92Š|
| 513 | E | 57 | Low | 52.6 | Low | 137 Ų | 137 | 130.8 Ų | 130.8 | 64% | 0.64 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -90.5 | -37 | -174 | -75.4 | -168.2 | 154.8 | 0 | 0 | 114.6 | A515 Q516 | E513-A515 PolarHBondContact O-N 3.2Å; E513-Q516 PolarHBondContact O-N 2.76Å |
| 514 | E | 57 | Low | 52.6 | Low | 155 Ų | 155 | 130.9 Ų | 130.9 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.2 | -23.9 | -176.9 | -79.8 | -175.9 | 158.9 | 0 | 0 | 114 | Q516 | E514-Q516 PolarHBondContact O-N 2.9Å |
| 515 | A | 54.5 | Low | 52.1 | Low | 69 Ų | 69 | 128.8 Ų | 128.8 | 57% | 0.57 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.3 | -12 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E513 | E513-A515 PolarHBondContact O-N 3.2Å |
| 516 | Q | 54.5 | Low | 52 | Low | 96 Ų | 96 | 127.3 Ų | 127.3 | 45% | 0.449 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -90.7 | -33.1 | 177.1 | -72.5 | 174.9 | 0.5 | 0 | 0 | 112.1 | R59 E513 E514 V518 | R59-Q516 VanDerWaalsContact NH2-CG 3.3Å; E513-Q516 PolarHBondContact O-N 2.76Å; E514-Q516 PolarHBondContact O-N 2.9Å; Q516-V518 PolarHBondContact O-N 3.43Å |
| 517 | N | 52.6 | Low | 52 | Low | 100 Ų | 100 | 128.7 Ų | 128.7 | 54% | 0.535 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -76.7 | -21 | -176.4 | -88.5 | -24 | 0 | 0 | 0 | 115.5 | ||
| 518 | V | 52.8 | Low | 51.8 | Low | 91 Ų | 91 | 130.8 Ų | 130.8 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -79.7 | -22.9 | -178.6 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | Q516 | Q516-V518 PolarHBondContact O-N 3.43Å |
| 519 | F | 42.9 | Very low | 51.7 | Low | 181 Ų | 181 | 130.3 Ų | 130.3 | 79% | 0.794 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -92.9 | -24.8 | -177.4 | -150.1 | -97 | 0 | 0 | 0 | 113.3 | ||
| 520 | E | 54.5 | Low | 51.5 | Low | 144 Ų | 144 | 125.3 Ų | 125.3 | 67% | 0.673 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.3 | -16.1 | 177.5 | -80.3 | -179.1 | 166.5 | 0 | 0 | 113.9 | I522 | E520-I522 VanDerWaalsContact C-N 3.3Å; E520-I522 PolarHBondContact O-N 2.98Å |
| 521 | Q | 52.2 | Low | 51.2 | Low | 158 Ų | 158 | 125.1 Ų | 125.1 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 2.3 | 177.8 | -71.2 | -174 | 6.5 | 0 | 0 | 114.6 | ||
| 522 | I | 49.9 | Very low | 50.7 | Low | 94 Ų | 94 | 127.1 Ų | 127.1 | 48% | 0.482 | 64% | 0.638 | S | S | . | * | trans | -110.1 | 50.3 | 168.7 | -44.2 | 176.7 | 0 | 0 | 0 | 108.6 | E520 V524 | E520-I522 VanDerWaalsContact C-N 3.3Å; E520-I522 PolarHBondContact O-N 2.98Å; I522-V524 HydrophobicContact CG2-CG2 4.08Å; I522-V524 PolarHBondContact O-N 3.4Å | ||
| 523 | E | 45 | Very low | 50 | Low | 172 Ų | 172 | 126.3 Ų | 126.3 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | trans | -65.6 | 89.7 | 153 | -81.5 | -176.5 | 166.8 | 0 | 0 | 107.1 | S525 | E523-S525 VanDerWaalsContact C-N 3.34Å; E523-S525 PolarHBondContact O-N 3.06Å | ||
| 524 | V | 46.9 | Very low | 49.6 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 47% | 0.467 | 64% | 0.642 | S | S | . | * | trans | -53.8 | 105.5 | 159.2 | 178.5 | 0 | 0 | 0 | 0 | 105.5 | I522 E526 | I522-V524 HydrophobicContact CG2-CG2 4.08Å; I522-V524 PolarHBondContact O-N 3.4Å; V524-E526 PolarHBondContact O-N 3.24Å | ||
| 525 | S | 42.5 | Very low | 49.3 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 48% | 0.476 | 65% | 0.652 | S | S | . | * | trans | -39.6 | 115.1 | 174.8 | -62.7 | 0 | 0 | 0 | 0 | 109.2 | E523 Q527 F528 | E523-S525 VanDerWaalsContact C-N 3.34Å; E523-S525 PolarHBondContact O-N 3.06Å; S525-Q527 PolarHBondContact O-N 3.4Å; S525-F528 PolarHBondContact O-N 3.4Å | ||
| 526 | E | 51.6 | Low | 48.9 | Very low | 153 Ų | 153 | 127 Ų | 127 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -55.1 | -14.5 | 176.8 | -70.2 | -174.5 | 142.4 | 0 | 0 | 112.2 | V524 F528 K529 | V524-E526 PolarHBondContact O-N 3.24Å; E526-F528 PolarHBondContact O-N 3.45Å; E526-F528 VanDerWaalsContact O-N 3.16Å; E526-K529 PolarHBondContact O-N 2.94Å; E526-K529 VanDerWaalsContact O-N 3.11Å |
| 527 | Q | 49.1 | Very low | 48.5 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -58.4 | -17.5 | 171.4 | -66.4 | -177.8 | -18.8 | 0 | 0 | 115 | S525 | S525-Q527 PolarHBondContact O-N 3.4Š|
| 528 | F | 48.1 | Very low | 48.1 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 61% | 0.61 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -104.1 | -5 | 174.4 | -75.9 | -78.5 | 0 | 0 | 0 | 114.4 | S525 E526 T530 | S525-F528 PolarHBondContact O-N 3.4Å; E526-F528 PolarHBondContact O-N 3.45Å; E526-F528 VanDerWaalsContact O-N 3.16Å; F528-T530 VanDerWaalsContact C-N 3.33Å |
| 529 | K | 52 | Low | 48 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -16 | 177 | -88.6 | 174.6 | 177.5 | 169.8 | 0 | 113.5 | E526 | E526-K529 PolarHBondContact O-N 2.94Å; E526-K529 VanDerWaalsContact O-N 3.11Å |
| 530 | T | 49.8 | Very low | 48.6 | Very low | 114 Ų | 114 | 134 Ų | 134 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -3.7 | 179.4 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | F528 | F528-T530 VanDerWaalsContact C-N 3.33Š|
| 531 | E | 47.9 | Very low | 48.6 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -116.7 | 3.6 | -173.2 | -120.2 | 178.2 | -170.8 | 0 | 0 | 114.4 | ||
| 532 | I | 47 | Very low | 48.4 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 68% | 0.677 | 72% | 0.72 | S | S | * | * | trans | -109.1 | 50.6 | 167.6 | -47.1 | 172.9 | 0 | 0 | 0 | 108.4 | V534 | I532-V534 HydrophobicContact CG2-CG2 4.28Å; I532-V534 PolarHBondContact O-N 2.88Å | ||
| 533 | T | 42 | Very low | 48.7 | Very low | 114 Ų | 114 | 140 Ų | 140 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | -83.5 | 96.5 | 153 | 43.2 | 0 | 0 | 0 | 0 | 106.1 | E535 | T533-E535 PolarHBondContact O-N 3.24Š| ||
| 534 | V | 48 | Very low | 48.6 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -59.5 | 105.6 | 167.1 | 175.3 | 0 | 0 | 0 | 0 | 106.5 | I532 G536 | I532-V534 HydrophobicContact CG2-CG2 4.28Å; I532-V534 PolarHBondContact O-N 2.88Å; V534-G536 PolarHBondContact O-N 2.99Å | ||
| 535 | E | 50.8 | Low | 48.5 | Very low | 199 Ų | 199 | 137 Ų | 137 | 93% | 0.93 | 76% | 0.761 | S | S | * | * | trans | -62.3 | 103.5 | 164.6 | -70.5 | -171.3 | 161.2 | 0 | 0 | 107.7 | T533 | T533-E535 PolarHBondContact O-N 3.24Š| ||
| 536 | G | 46 | Very low | 48.7 | Very low | 54 Ų | 54 | 140.8 Ų | 140.8 | 56% | 0.557 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 173.7 | 103.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V534 | V534-G536 PolarHBondContact O-N 2.99Š|
| 537 | D | 46.6 | Very low | 48.5 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | 82.4 | 62 | 172 | -50.7 | -18.1 | 0 | 0 | 0 | 116.4 | ||||
| 538 | A | 43.7 | Very low | 48.6 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -92.1 | 79 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 539 | E | 52.4 | Low | 48.5 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -149.1 | 74 | 160.4 | -75.3 | -165.2 | 177.7 | 0 | 0 | 110.1 | ||||
| 540 | L | 55.3 | Low | 48.4 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 172.4 | 140.6 | 146.7 | -122.2 | 91.4 | 0 | 0 | 0 | 109.5 | ||
| 541 | L | 53.2 | Low | 47.9 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | 91.8 | 70.3 | 171.6 | -47.4 | -179.2 | 0 | 0 | 0 | 116.2 | ||||
| 542 | D | 48 | Very low | 47.6 | Very low | 159 Ų | 159 | 148 Ų | 148 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -90.7 | 106.3 | 151.3 | -176.3 | 22.4 | 0 | 0 | 0 | 107.8 | ||||
| 543 | E | 56.8 | Low | 47.4 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -177.9 | 112.2 | 158.5 | -104.9 | 173.5 | -148.8 | 0 | 0 | 109.5 | ||||
| 544 | G | 43.8 | Very low | 47.4 | Very low | 81 Ų | 81 | 148 Ų | 148 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | trans | 127.9 | 38.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 545 | A | 44.3 | Very low | 47.2 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -96.1 | 90.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 546 | N | 46.4 | Very low | 46.9 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -168.4 | 151.2 | 151.6 | -133.4 | -24 | 0 | 0 | 0 | 111.2 | ||||
| 547 | Y | 48.5 | Very low | 46.7 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 82% | 0.816 | 84% | 0.836 | S | S | * | * | trans | 84.4 | 90.6 | -178.6 | -66.1 | -89 | 0 | 0 | 0 | 116.9 | ||||
| 548 | K | 50.1 | Low | 46.8 | Very low | 210 Ų | 210 | 149.7 Ų | 149.7 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | -157 | 73.4 | 129.1 | -70.1 | -159.6 | -177.8 | 157.3 | 0 | 110.2 | |||||
| 549 | D | 46 | Very low | 47.1 | Very low | 159 Ų | 159 | 154 Ų | 154 | 85% | 0.85 | 84% | 0.84 | S | S | * | * | trans | -136.2 | 83.9 | 156.7 | -94.3 | -20 | 0 | 0 | 0 | 106.5 | ||||
| 550 | N | 49.4 | Very low | 46.8 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | trans | -175.5 | 139 | 152 | -110.3 | -19.6 | 0 | 0 | 0 | 112.8 | ||||
| 551 | V | 40.7 | Very low | 46.5 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 64% | 0.636 | 84% | 0.835 | S | S | * | * | trans | 84.4 | 68.8 | 154.6 | -168.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 552 | L | 41.3 | Very low | 46 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | -67.8 | 111.3 | 126 | -144 | 102.2 | 0 | 0 | 0 | 107 | |||||
| 553 | T | 42.6 | Very low | 45.9 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 77% | 0.767 | 83% | 0.829 | S | S | * | * | trans | 155.9 | 87.9 | 155.7 | 38.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 554 | S | 42.3 | Very low | 45.6 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -165.9 | 78.9 | 152.7 | 25.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 555 | A | 42.4 | Very low | 45.9 | Very low | 88 Ų | 88 | 149.7 Ų | 149.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -84.5 | 153.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 556 | L | 45.3 | Very low | 46.1 | Very low | 161 Ų | 161 | 152 Ų | 152 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | 101.5 | 139.3 | 161.6 | -58.4 | 164.7 | 0 | 0 | 0 | 117.2 | ||||
| 557 | T | 42.4 | Very low | 46.3 | Very low | 130 Ų | 130 | 151.7 Ų | 151.7 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | 74.6 | 89.5 | 164.8 | 69.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 558 | E | 49 | Very low | 47.1 | Very low | 201 Ų | 201 | 151.5 Ų | 151.5 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | trans | -150.2 | 85.8 | 131 | -68.1 | -162.4 | 165 | 0 | 0 | 108.5 | ||||
| 559 | E | 49.1 | Very low | 47.3 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -76.3 | 157.5 | 150.6 | -77.4 | -176.7 | 152.5 | 0 | 0 | 108.1 | ||||
| 560 | S | 45.5 | Very low | 47.4 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 91.4 | 76.7 | 162.2 | -166.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 561 | I | 48.9 | Very low | 47.5 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -137 | 92.8 | 143.1 | -56.1 | -177.9 | 0 | 0 | 0 | 109.8 | ||||
| 562 | M | 44.3 | Very low | 48 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | 42.8 | 110.5 | 131.9 | -59.9 | -109.9 | -74.6 | 0 | 0 | 119.3 | E564 | M562-E564 PolarHBondContact O-N 3.06Š| ||
| 563 | T | 44.1 | Very low | 48.8 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -61.6 | 116 | 150.8 | 46.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 564 | E | 51.4 | Low | 49.4 | Very low | 176 Ų | 176 | 147.5 Ų | 147.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -116.4 | 103.4 | 161 | -109 | 176.6 | 178 | 0 | 0 | 108.6 | M562 | M562-E564 PolarHBondContact O-N 3.06Š| ||
| 565 | T | 49.4 | Very low | 49.6 | Very low | 120 Ų | 120 | 149 Ų | 149 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -74.4 | 110.9 | 164.6 | 42.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 566 | H | 49.1 | Very low | 50.1 | Low | 151 Ų | 151 | 150.4 Ų | 150.4 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -94.8 | 92.9 | 167.5 | -157.1 | -45.3 | 0 | 0 | 0 | 108.6 | Y568 | H566-Y568 AromaticContact CE1-CD2 3.21Å; H566-Y568 WeakPolarHBondContact CE1-CD2 3.48Å; H566-Y568 AromaticContact CE1-CE2 3.17Å; H566-Y568 WeakPolarHBondContact CE1-CE2 3.3Å; H566-Y568 AromaticContact ND1-CD2 3.34Å; H566-Y568 VanDerWaalsContact ND1-CD2 3.34Å; H566-Y568 WeakPolarHBondContact ND1-CD2 3.27Å; H566-Y568 AromaticContact ND1-CE2 3.78Å; H566-Y568 AromaticContact NE2-CE2 3.73Å | ||
| 567 | D | 50.4 | Low | 50.5 | Low | 142 Ų | 142 | 151.1 Ų | 151.1 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -66.6 | 127.2 | 159 | -67.8 | -44.7 | 0 | 0 | 0 | 107.7 | ||||
| 568 | Y | 64.8 | Low | 51.2 | Low | 204 Ų | 204 | 154.3 Ų | 154.3 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -108.2 | 102.7 | 167.7 | -121.5 | -83.8 | 0 | 0 | 0 | 107.3 | H566 | H566-Y568 AromaticContact CE1-CD2 3.21Å; H566-Y568 WeakPolarHBondContact CE1-CD2 3.48Å; H566-Y568 AromaticContact CE1-CE2 3.17Å; H566-Y568 WeakPolarHBondContact CE1-CE2 3.3Å; H566-Y568 AromaticContact ND1-CD2 3.34Å; H566-Y568 VanDerWaalsContact ND1-CD2 3.34Å; H566-Y568 WeakPolarHBondContact ND1-CD2 3.27Å; H566-Y568 AromaticContact ND1-CE2 3.78Å; H566-Y568 AromaticContact NE2-CE2 3.73Å | ||
| 569 | E | 55.5 | Low | 51.1 | Low | 182 Ų | 182 | 152.9 Ų | 152.9 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -71.7 | 149 | 171.4 | -122 | 175 | 164 | 0 | 0 | 110.7 | ||||
| 570 | S | 46.7 | Very low | 50.9 | Low | 94 Ų | 94 | 148.9 Ų | 148.9 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -53.9 | 150.4 | 178 | 48.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 571 | D | 53.2 | Low | 50.9 | Low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -160.5 | 108.6 | 136.6 | -83.9 | -32.5 | 0 | 0 | 0 | 108 | ||||
| 572 | A | 50.6 | Low | 50.6 | Low | 80 Ų | 80 | 149.1 Ų | 149.1 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | 64.4 | 114.4 | 99.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 573 | Y | 58.2 | Low | 50.7 | Low | 227 Ų | 227 | 150.9 Ų | 150.9 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | 175.5 | 128.5 | 116.8 | -107.6 | -88.8 | 0 | 0 | 0 | 113.6 | |||||
| 574 | S | 55.8 | Low | 50.6 | Low | 109 Ų | 109 | 152 Ų | 152 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 78.9 | 102.7 | 143.6 | -120.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 575 | D | 45.5 | Very low | 50.2 | Low | 153 Ų | 153 | 154.8 Ų | 154.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -43.4 | 141.3 | 136.6 | -84.5 | -43 | 0 | 0 | 0 | 113 | ||||
| 576 | S | 53.2 | Low | 49.7 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -157.4 | 119.2 | 131.7 | 68.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 577 | E | 53.7 | Low | 49.5 | Very low | 177 Ų | 177 | 154.2 Ų | 154.2 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -54.2 | 152.3 | 170.6 | -57.2 | 164.5 | 153.4 | 0 | 0 | 112.4 | ||||
| 578 | M | 56.8 | Low | 49.4 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 97% | 0.97 | 79% | 0.794 | S | S | * | * | -169.1 | 144.9 | 118.9 | -98.6 | -153 | -65.9 | 0 | 0 | 113.5 | |||||
| 579 | E | 47.7 | Very low | 48.7 | Very low | 170 Ų | 170 | 152 Ų | 152 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -91.1 | 158.1 | -164.6 | -112.5 | 174 | 140.4 | 0 | 0 | 114.2 | ||||
| 580 | T | 44.7 | Very low | 48.3 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | 63.8 | 122.9 | 140.9 | 67 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 581 | T | 44.5 | Very low | 48.6 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | 167.4 | 117.1 | 103.4 | 30.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 582 | I | 44 | Very low | 48.2 | Very low | 150 Ų | 150 | 154.7 Ų | 154.7 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 14.4 | 122.9 | 134.3 | -43.1 | 174.7 | 0 | 0 | 0 | 116.7 | ||||
| 583 | Q | 44.7 | Very low | 47.9 | Very low | 186 Ų | 186 | 156.7 Ų | 156.7 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | 174.3 | 132.2 | 115 | -91.5 | 179.4 | 19.9 | 0 | 0 | 113 | |||||
| 584 | N | 42.6 | Very low | 47.9 | Very low | 162 Ų | 162 | 155.2 Ų | 155.2 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -57.7 | 136.4 | 172.6 | -62 | -48 | 0 | 0 | 0 | 112.5 | ||||
| 585 | R | 42.8 | Very low | 47.2 | Very low | 235 Ų | 235 | 158.7 Ų | 158.7 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -156.7 | 109.7 | 142.5 | -126.5 | 173 | -176.9 | 169 | -0 | 111.6 | ||||
| 586 | T | 38.7 | Very low | 47.5 | Very low | 123 Ų | 123 | 156.2 Ų | 156.2 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -50.2 | 142.9 | 153.8 | 45.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 587 | I | 45.7 | Very low | 47 | Very low | 137 Ų | 137 | 156.3 Ų | 156.3 | 70% | 0.703 | 81% | 0.805 | S | S | * | * | trans | 169.3 | 109.4 | 138 | -88.8 | 156.4 | 0 | 0 | 0 | 107.8 | ||||
| 588 | I | 48.1 | Very low | 46.4 | Very low | 132 Ų | 132 | 156 Ų | 156 | 68% | 0.677 | 80% | 0.801 | S | S | * | * | 73.2 | 115.3 | 119.4 | -54.7 | 179.6 | 0 | 0 | 0 | 112.2 | |||||
| 589 | E | 49.1 | Very low | 46.3 | Very low | 167 Ų | 167 | 155.5 Ų | 155.5 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | -177.3 | 116.5 | 77.1 | -121.7 | 135.4 | -143.4 | 0 | 0 | 106.1 | |||||
| 590 | S | 48.2 | Very low | 46.3 | Very low | 94 Ų | 94 | 153.7 Ų | 153.7 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | 52.8 | 108.1 | 106.4 | 57.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 591 | D | 51.8 | Low | 46.7 | Very low | 169 Ų | 169 | 156.1 Ų | 156.1 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | -165.1 | 125.7 | 110.3 | -89.3 | -16 | 0 | 0 | 0 | 111.8 | |||||
| 592 | R | 46.1 | Very low | 46.9 | Very low | 227 Ų | 227 | 158 Ų | 158 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -139.7 | 132.4 | -169.1 | -140.7 | -175.9 | -172.2 | 174.5 | 1.7 | 105.2 | ||||
| 593 | T | 45 | Very low | 47.2 | Very low | 123 Ų | 123 | 157 Ų | 157 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 55.2 | 113.2 | 145.9 | 49.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 594 | E | 57.3 | Low | 47.6 | Very low | 196 Ų | 196 | 156.3 Ų | 156.3 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -129.2 | 104.2 | 144.6 | -70.5 | -168.3 | 174.2 | 0 | 0 | 110.1 | ||||
| 595 | M | 41.6 | Very low | 47.7 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | trans | -91.9 | 125.7 | 150.2 | -77.2 | -97.5 | -76.9 | 0 | 0 | 105.6 | ||||
| 596 | A | 50.2 | Low | 48.1 | Very low | 101 Ų | 101 | 152 Ų | 152 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -118.7 | 111.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 597 | T | 44.2 | Very low | 48.4 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -84.5 | 146.7 | 166.9 | 44.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 598 | F | 40.7 | Very low | 48.6 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | trans | 52 | 118.8 | 145.8 | -100.7 | -95.1 | 0 | 0 | 0 | 119.6 | ||||
| 599 | E | 55.1 | Low | 48.6 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -153.7 | 115.4 | 136.3 | -112.2 | 169.2 | -156.5 | 0 | 0 | 110.5 | ||||
| 600 | N | 46.8 | Very low | 48.7 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -69.9 | 135.6 | 164.4 | -67.5 | -43.3 | 0 | 0 | 0 | 108.1 | ||||
| 601 | N | 54.2 | Low | 49 | Very low | 160 Ų | 160 | 151 Ų | 151 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -134.8 | 125.1 | 155 | -92.2 | -32.8 | 0 | 0 | 0 | 110.4 | ||||
| 602 | E | 47 | Very low | 49.4 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -95.2 | 161.8 | -172.1 | -145.1 | -171.3 | 152.9 | 0 | 0 | 109 | ||||
| 603 | I | 51.8 | Low | 49.4 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 65% | 0.651 | 79% | 0.794 | S | S | * | * | trans | 96.8 | 135.2 | 147.1 | -62.1 | 156.3 | 0 | 0 | 0 | 119.9 | ||||
| 604 | E | 51.8 | Low | 49.8 | Very low | 173 Ų | 173 | 153 Ų | 153 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | 101.2 | 93.6 | 156.1 | -90.1 | 160.7 | -139.1 | 0 | 0 | 117.4 | ||||
| 605 | M | 46.1 | Very low | 49.9 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | 81.2 | 140.5 | 67.7 | -76.5 | -82.5 | -72.7 | 0 | 0 | 114.9 | |||||
| 606 | V | 50 | Low | 50.8 | Low | 137 Ų | 137 | 151.6 Ų | 151.6 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | 84.7 | 128.1 | 166.9 | -161.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 607 | G | 44.7 | Very low | 51 | Low | 58 Ų | 58 | 155 Ų | 155 | 60% | 0.598 | 79% | 0.787 | S | S | * | * | cis | 170.8 | 165.5 | 5.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 608 | D | 49.8 | Very low | 51.5 | Low | 156 Ų | 156 | 157.8 Ų | 157.8 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | 75.7 | 105.2 | 155.4 | -45.8 | -25.1 | 0 | 0 | 0 | 118.1 | ||||
| 609 | A | 48.3 | Very low | 52 | Low | 97 Ų | 97 | 157.2 Ų | 157.2 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | 74.6 | 132.7 | 63.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 610 | E | 52.6 | Low | 51.9 | Low | 180 Ų | 180 | 155.7 Ų | 155.7 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | trans | 99.8 | 134.2 | 152.9 | -107 | -176.2 | 167.1 | 0 | 0 | 121.7 | ||||
| 611 | M | 54 | Low | 52.2 | Low | 141 Ų | 141 | 157 Ų | 157 | 70% | 0.695 | 83% | 0.83 | S | S | * | * | trans | 88.7 | 98.5 | 146.2 | -61.3 | -94.4 | -70.7 | 0 | 0 | 119.2 | ||||
| 612 | D | 59.9 | Low | 52 | Low | 146 Ų | 146 | 156.8 Ų | 156.8 | 78% | 0.781 | 83% | 0.829 | S | S | * | * | 167.6 | 97.9 | 98.6 | -85.7 | -26.9 | 0 | 0 | 0 | 113.1 | |||||
| 613 | R | 45.7 | Very low | 52.4 | Low | 242 Ų | 242 | 156.1 Ų | 156.1 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -100.1 | 119.4 | 149.1 | -84.4 | -175.8 | 176.6 | 123.2 | -1.1 | 106.6 | ||||
| 614 | E | 54.2 | Low | 52.4 | Low | 174 Ų | 174 | 158.1 Ų | 158.1 | 81% | 0.813 | 84% | 0.844 | S | S | * | * | trans | 173.9 | 120.8 | 145.9 | -107.5 | -176.5 | -169.7 | 0 | 0 | 111.7 | ||||
| 615 | K | 60.2 | Low | 52.4 | Low | 168 Ų | 168 | 157 Ų | 157 | 73% | 0.73 | 85% | 0.846 | S | S | * | * | 172.5 | 119 | 114.8 | -93.5 | 158.3 | -172 | 166.2 | 0 | 113.7 | |||||
| 616 | K | 59.6 | Low | 52.9 | Low | 180 Ų | 180 | 156.2 Ų | 156.2 | 78% | 0.783 | 85% | 0.848 | S | S | * | * | 76.7 | 104.6 | 128.1 | -68.2 | 175.9 | 177.6 | -176.4 | 0 | 120 | |||||
| 617 | N | 53.5 | Low | 53.2 | Low | 172 Ų | 172 | 157.8 Ų | 157.8 | 92% | 0.92 | 85% | 0.849 | S | S | * | * | 14.1 | 112.1 | 123.4 | -66.1 | -7.4 | 0 | 0 | 0 | 117.2 | |||||
| 618 | A | 55.7 | Low | 53.9 | Low | 179 Ų | 179 | 166.8 Ų | 166.8 | 100% | 1.479 | 87% | 0.872 | S | S | * | * | trans | -146.6 | 0 | 131.8 | 0 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 618 of 618 residues in 393 ms
(Link to these results)