| 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 | 43.9 | Very low | 65.7 | Low | 253 Ų | 253 | 96.5 Ų | 96.5 | 100% | 1.246 | 56% | 0.562 | S | S | * | * | 0 | 103.1 | 0 | -66.9 | 169.3 | 176.1 | 0 | 0 | 105.2 | |||||
| 2 | G | 44.3 | Very low | 66.2 | Low | 51 Ų | 51 | 89.3 Ų | 89.3 | 53% | 0.526 | 52% | 0.52 | S | S | . | . | trans | -125.1 | 126.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | N4 | G2-N4 PolarHBondContact O-N 3.28Š| ||
| 3 | D | 52 | Low | 66.9 | Low | 160 Ų | 160 | 88.7 Ų | 88.7 | 86% | 0.856 | 51% | 0.513 | S | S | * | . | 56 | 9.1 | 123.7 | -46.5 | -23.5 | 0 | 0 | 0 | 120.4 | A5 | D3-A5 PolarHBondContact O-N 2.93Š| |||
| 4 | N | 63.5 | Low | 67.4 | Low | 163 Ų | 163 | 92.6 Ų | 92.6 | 87% | 0.872 | 52% | 0.521 | S | S | * | . | trans | -75.7 | 53.8 | 157.7 | -72.9 | 20.4 | 0 | 0 | 0 | 110.7 | G2 | G2-N4 PolarHBondContact O-N 3.28Š| ||
| 5 | A | 64.7 | Low | 67.6 | Low | 75 Ų | 75 | 89.2 Ų | 89.2 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -80 | 129.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | D3 | D3-A5 PolarHBondContact O-N 2.93Š|
| 6 | P | 70 | Confident | 67.6 | Low | 86 Ų | 86 | 88.8 Ų | 88.8 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 144.6 | 174.1 | 26.2 | -34.7 | 0 | 0 | 0 | 109.5 | D10 V11 | P6-D10 HydrophobicContact CB-CB 4.28Å; P6-V11 HydrophobicContact CB-CG2 3.84Å; P6-V11 HydrophobicContact CG-CG2 3.57Å |
| 7 | S | 78.5 | Confident | 67.5 | Low | 55 Ų | 55 | 96.1 Ų | 96.1 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 159.4 | -176.6 | -155.4 | 0 | 0 | 0 | 0 | 110.8 | E9 D10 V11 | S7-E9 WeakPolarHBondContact CB-OE2 3.23Å; S7-E9 PolarHBondContact O-N 3.34Å; S7-E9 PolarHBondContact OG-OE2 2.98Å; S7-D10 WeakPolarHBondContact CB-OD1 3.13Å; S7-D10 PolarHBondContact N-OD2 2.98Å; S7-D10 PolarHBondContact O-N 3.37Å; S7-V11 WeakPolarHBondContact O-CG2 3.19Å; S7-V11 PolarHBondContact O-N 2.93Å; S7-V11 VanDerWaalsContact O-N 3.09Å |
| 8 | I | 76 | Confident | 67.3 | Low | 21 Ų | 21 | 94.8 Ų | 94.8 | 11% | 0.108 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -65.2 | -30.6 | 179.2 | -165.4 | 170.4 | 0 | 0 | 0 | 110.9 | I12 W32 N39 I42 I43 | I8-I12 HydrophobicContact CG1-CD1 3.92Å; I8-I12 VanDerWaalsContact O-CD1 3.29Å; I8-I12 WeakPolarHBondContact O-CD1 3.48Å; I8-I12 WeakPolarHBondContact O-CG1 3.46Å; I8-I12 PolarHBondContact O-N 2.58Å; I8-I12 VanDerWaalsContact O-N 3.15Å; I8-W32 HydrophobicContact CD1-CH2 4.43Å; I8-W32 HydrophobicContact CG1-CH2 3.86Å; I8-N39 HydrophobicContact CD1-CB 3.39Å; I8-I42 HydrophobicContact CD1-CB 4.49Å; I8-I42 HydrophobicContact CG2-CD1 4.14Å; I8-I42 HydrophobicContact CG2-CG2 3.92Å; I8-I43 HydrophobicContact CD1-CD1 4.25Å; I8-I43 HydrophobicContact CD1-CG1 3.84Å |
| 9 | E | 78 | Confident | 67.1 | Low | 85 Ų | 85 | 93.9 Ų | 93.9 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -61.8 | 168.5 | -63 | 67.9 | -147.1 | 0 | 0 | 110.6 | S7 V11 I12 D13 | S7-E9 WeakPolarHBondContact CB-OE2 3.23Å; S7-E9 PolarHBondContact O-N 3.34Å; S7-E9 PolarHBondContact OG-OE2 2.98Å; E9-V11 PolarHBondContact O-N 3.48Å; E9-I12 CarbonylContact O-C 3.38Å; E9-I12 PolarHBondContact O-N 3.27Å; E9-D13 PolarHBondContact O-N 3.43Å |
| 10 | D | 78.7 | Confident | 67.1 | Low | 89 Ų | 89 | 91.6 Ų | 91.6 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -49.3 | -40.9 | -179.4 | -39.3 | -13.4 | 0 | 0 | 0 | 112.8 | P6 S7 K14 | P6-D10 HydrophobicContact CB-CB 4.28Å; S7-D10 WeakPolarHBondContact CB-OD1 3.13Å; S7-D10 PolarHBondContact N-OD2 2.98Å; S7-D10 PolarHBondContact O-N 3.37Å; D10-K14 WeakPolarHBondContact O-CB 3.25Å; D10-K14 PolarHBondContact O-N 3.37Å |
| 11 | V | 72.7 | Confident | 67.2 | Low | 23 Ų | 23 | 93 Ų | 93 | 14% | 0.139 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -73 | -36.5 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | P6 S7 E9 F15 W32 | P6-V11 HydrophobicContact CB-CG2 3.84Å; P6-V11 HydrophobicContact CG-CG2 3.57Å; S7-V11 WeakPolarHBondContact O-CG2 3.19Å; S7-V11 PolarHBondContact O-N 2.93Å; S7-V11 VanDerWaalsContact O-N 3.09Å; E9-V11 PolarHBondContact O-N 3.48Å; V11-F15 HydrophobicContact CG1-CD2 3.98Å; V11-F15 HydrophobicContact CG1-CE2 3.45Å; V11-F15 VanDerWaalsContact CG1-CE2 3.45Å; V11-F15 HydrophobicContact CG1-CZ 3.83Å; V11-F15 WeakPolarHBondContact O-CD2 3.29Å; V11-F15 VanDerWaalsContact O-CG 3.23Å; V11-F15 WeakPolarHBondContact O-CG 3.47Å; V11-F15 PolarHBondContact O-N 3.49Å; V11-W32 HydrophobicContact CB-CH2 4.3Å; V11-W32 HydrophobicContact CB-CZ2 3.77Å; V11-W32 HydrophobicContact CG1-CH2 3.92Å; V11-W32 HydrophobicContact CG1-CZ2 3.27Å; V11-W32 HydrophobicContact CG2-CZ2 4.36Å |
| 12 | I | 71.8 | Confident | 69.1 | Low | 11 Ų | 11 | 84.1 Ų | 84.1 | 6% | 0.056 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -77.6 | -40.6 | 178.1 | -61.5 | 162.2 | 0 | 0 | 0 | 111.4 | I8 E9 K14 F15 E16 W32 I43 A46 | I8-I12 HydrophobicContact CG1-CD1 3.92Å; I8-I12 VanDerWaalsContact O-CD1 3.29Å; I8-I12 WeakPolarHBondContact O-CD1 3.48Å; I8-I12 WeakPolarHBondContact O-CG1 3.46Å; I8-I12 PolarHBondContact O-N 2.58Å; I8-I12 VanDerWaalsContact O-N 3.15Å; E9-I12 CarbonylContact O-C 3.38Å; E9-I12 PolarHBondContact O-N 3.27Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 3.04Å; I12-F15 CarbonylContact O-C 3.48Å; I12-F15 WeakPolarHBondContact O-CA 3.37Å; I12-F15 WeakPolarHBondContact O-CB 3.34Å; I12-F15 PolarHBondContact O-N 2.87Å; I12-E16 PolarHBondContact O-N 2.9Å; I12-W32 HydrophobicContact CG1-CH2 4.11Å; I12-W32 HydrophobicContact CG1-CZ3 4.36Å; I12-I43 HydrophobicContact CD1-CG1 4.31Å; I12-A46 HydrophobicContact CB-CB 4.32Å; I12-A46 HydrophobicContact CD1-CB 4.09Å; I12-A46 HydrophobicContact CG2-CB 3.49Å; I12-A46 VanDerWaalsContact CG2-CB 3.49Å |
| 13 | D | 75.9 | Confident | 70.9 | Confident | 81 Ų | 81 | 88.4 Ų | 88.4 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 174.4 | -72.5 | 4.5 | 0 | 0 | 0 | 109.8 | E9 F15 E16 Y17 | E9-D13 PolarHBondContact O-N 3.43Å; D13-F15 VanDerWaalsContact C-N 3.28Å; D13-F15 PolarHBondContact O-N 3.19Å; D13-E16 PolarHBondContact O-N 3.4Å; D13-E16 VanDerWaalsContact O-N 3.09Å; D13-Y17 VanDerWaalsContact O-CD2 3.29Å; D13-Y17 WeakPolarHBondContact O-CD2 3.4Å; D13-Y17 PolarHBondContact O-N 2.95Å; D13-Y17 VanDerWaalsContact O-N 3.12Å |
| 14 | K | 73.6 | Confident | 72.4 | Confident | 144 Ų | 144 | 88.4 Ų | 88.4 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.2 | -35.6 | 170.6 | -173.3 | 165.6 | -172.6 | 162.7 | 0 | 112.5 | D10 I12 T18 | D10-K14 WeakPolarHBondContact O-CB 3.25Å; D10-K14 PolarHBondContact O-N 3.37Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 3.04Å; K14-T18 HydrophobicContact CG-CG2 4.44Å; K14-T18 VanDerWaalsContact O-CB 3.31Å; K14-T18 WeakPolarHBondContact O-CB 3.48Å; K14-T18 WeakPolarHBondContact O-CG2 3.44Å; K14-T18 PolarHBondContact O-N 2.94Å; K14-T18 PolarHBondContact O-OG1 3.31Å |
| 15 | F | 69.9 | Low | 73.3 | Confident | 41 Ų | 41 | 82.7 Ų | 82.7 | 18% | 0.18 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 171.6 | -70.2 | -40.1 | 0 | 0 | 0 | 112.3 | V11 I12 D13 Y17 T18 L19 V29 W32 | V11-F15 HydrophobicContact CG1-CD2 3.98Å; V11-F15 HydrophobicContact CG1-CE2 3.45Å; V11-F15 VanDerWaalsContact CG1-CE2 3.45Å; V11-F15 HydrophobicContact CG1-CZ 3.83Å; V11-F15 WeakPolarHBondContact O-CD2 3.29Å; V11-F15 VanDerWaalsContact O-CG 3.23Å; V11-F15 WeakPolarHBondContact O-CG 3.47Å; V11-F15 PolarHBondContact O-N 3.49Å; I12-F15 CarbonylContact O-C 3.48Å; I12-F15 WeakPolarHBondContact O-CA 3.37Å; I12-F15 WeakPolarHBondContact O-CB 3.34Å; I12-F15 PolarHBondContact O-N 2.87Å; D13-F15 VanDerWaalsContact C-N 3.28Å; D13-F15 PolarHBondContact O-N 3.19Å; F15-Y17 PolarHBondContact O-N 3.43Å; F15-T18 CarbonylContact O-C 3.56Å; F15-T18 PolarHBondContact O-N 3.24Å; F15-T18 VanDerWaalsContact O-N 3.11Å; F15-L19 HydrophobicContact CB-CD1 4.44Å; F15-L19 HydrophobicContact CB-CG 4.42Å; F15-L19 VanDerWaalsContact O-CB 3.22Å; F15-L19 WeakPolarHBondContact O-CB 3.35Å; F15-L19 WeakPolarHBondContact O-CD1 3.44Å; F15-L19 WeakPolarHBondContact O-CG 3.41Å; F15-L19 PolarHBondContact O-N 3.49Å; F15-V29 HydrophobicContact CD1-CG2 3.76Å; F15-V29 HydrophobicContact CD2-CG1 4.44Å; F15-V29 HydrophobicContact CD2-CG2 4.25Å; F15-V29 HydrophobicContact CE1-CG2 3.65Å; F15-V29 HydrophobicContact CE2-CG1 4.47Å; F15-V29 HydrophobicContact CE2-CG2 4.14Å; F15-V29 HydrophobicContact CG-CG2 4.08Å; F15-V29 HydrophobicContact CZ-CG2 3.86Å; F15-W32 HydrophobicContact CE2-CD2 4.01Å; F15-W32 HydrophobicContact CE2-CE3 4.04Å; F15-W32 HydrophobicContact CE2-CG 4.47Å; F15-W32 HydrophobicContact CE2-CZ2 4.49Å; F15-W32 HydrophobicContact CE2-CZ3 4.29Å |
| 16 | E | 68.2 | Low | 74.1 | Confident | 82 Ų | 82 | 83 Ų | 83 | 38% | 0.383 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.8 | -36.8 | 177.3 | -167 | 155.8 | -152.3 | 0 | 0 | 111.1 | I12 D13 | I12-E16 PolarHBondContact O-N 2.9Å; D13-E16 PolarHBondContact O-N 3.4Å; D13-E16 VanDerWaalsContact O-N 3.09Å |
| 17 | Y | 66.4 | Low | 74.9 | Confident | 213 Ų | 213 | 84.3 Ų | 84.3 | 84% | 0.835 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -83.4 | -24.7 | 171.9 | -69.8 | -73.1 | 0 | 0 | 0 | 115.9 | D13 F15 | D13-Y17 VanDerWaalsContact O-CD2 3.29Å; D13-Y17 WeakPolarHBondContact O-CD2 3.4Å; D13-Y17 PolarHBondContact O-N 2.95Å; D13-Y17 VanDerWaalsContact O-N 3.12Å; F15-Y17 PolarHBondContact O-N 3.43Å |
| 18 | T | 63 | Low | 75.3 | Confident | 74 Ų | 74 | 85.3 Ų | 85.3 | 45% | 0.454 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -113 | 12.3 | -174.7 | 64.9 | 0 | 0 | 0 | 0 | 115.4 | K14 F15 A20 | K14-T18 HydrophobicContact CG-CG2 4.44Å; K14-T18 VanDerWaalsContact O-CB 3.31Å; K14-T18 WeakPolarHBondContact O-CB 3.48Å; K14-T18 WeakPolarHBondContact O-CG2 3.44Å; K14-T18 PolarHBondContact O-N 2.94Å; K14-T18 PolarHBondContact O-OG1 3.31Å; F15-T18 CarbonylContact O-C 3.56Å; F15-T18 PolarHBondContact O-N 3.24Å; F15-T18 VanDerWaalsContact O-N 3.11Å; T18-A20 PolarHBondContact O-N 3.42Å |
| 19 | L | 64.7 | Low | 75.7 | Confident | 77 Ų | 77 | 85.2 Ų | 85.2 | 40% | 0.403 | 44% | 0.44 | S | S | . | . | trans | -70.4 | 61.1 | 170.6 | -90.2 | 164.9 | 0 | 0 | 0 | 112.2 | F15 V25 V29 | F15-L19 HydrophobicContact CB-CD1 4.44Å; F15-L19 HydrophobicContact CB-CG 4.42Å; F15-L19 VanDerWaalsContact O-CB 3.22Å; F15-L19 WeakPolarHBondContact O-CB 3.35Å; F15-L19 WeakPolarHBondContact O-CD1 3.44Å; F15-L19 WeakPolarHBondContact O-CG 3.41Å; F15-L19 PolarHBondContact O-N 3.49Å; L19-V25 HydrophobicContact CD2-CG1 4.17Å; L19-V29 HydrophobicContact CD2-CG2 4.45Å | ||
| 20 | A | 66.3 | Low | 76.1 | Confident | 48 Ų | 48 | 84 Ų | 84 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | trans | -54.4 | 131.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | T18 T22 | T18-A20 PolarHBondContact O-N 3.42Å; A20-T22 HydrophobicContact CB-CG2 4.49Å; A20-T22 PolarHBondContact O-N 3.24Å | ||
| 21 | P | 70.2 | Confident | 76.7 | Confident | 121 Ų | 121 | 86.4 Ų | 86.4 | 79% | 0.786 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -75.8 | 34.6 | -170.5 | 31.8 | -37.8 | 0 | 0 | 0 | 113.7 | ||
| 22 | T | 82.1 | Confident | 77.6 | Confident | 66 Ų | 66 | 87.1 Ų | 87.1 | 41% | 0.405 | 45% | 0.447 | S | S | . | . | trans | -83.8 | 144.6 | 176.6 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | A20 E24 V25 I26 | A20-T22 HydrophobicContact CB-CG2 4.49Å; A20-T22 PolarHBondContact O-N 3.24Å; T22-E24 VanDerWaalsContact C-N 3.25Å; T22-E24 PolarHBondContact O-N 2.75Å; T22-V25 PolarHBondContact O-N 2.98Å; T22-V25 VanDerWaalsContact OG1-CG2 3.28Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.28Å; T22-I26 WeakPolarHBondContact O-CG1 3.39Å; T22-I26 PolarHBondContact O-N 3.13Å | ||
| 23 | Q | 82.2 | Confident | 78.5 | Confident | 141 Ų | 141 | 88 Ų | 88 | 66% | 0.659 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.3 | -37.7 | -179.8 | -178.5 | 175.6 | -22.4 | 0 | 0 | 112.1 | I26 E27 | Q23-I26 PolarHBondContact O-N 3.31Å; Q23-E27 HydrophobicContact CG-CG 4.29Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.39Å; Q23-E27 PolarHBondContact NE2-OE1 3.17Å; Q23-E27 WeakPolarHBondContact O-CB 3.23Å; Q23-E27 WeakPolarHBondContact O-CG 3.49Å; Q23-E27 PolarHBondContact O-N 2.95Å |
| 24 | E | 84.9 | Confident | 79.2 | Confident | 161 Ų | 161 | 89.9 Ų | 89.9 | 75% | 0.752 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | -179.3 | -61.3 | 177.1 | 178.7 | 0 | 0 | 112.5 | T22 S28 | T22-E24 VanDerWaalsContact C-N 3.25Å; T22-E24 PolarHBondContact O-N 2.75Å; E24-S28 VanDerWaalsContact O-CB 3.23Å; E24-S28 WeakPolarHBondContact O-CB 2.9Å; E24-S28 PolarHBondContact O-N 2.84Å |
| 25 | V | 81.6 | Confident | 80.1 | Confident | 42 Ų | 42 | 88 Ų | 88 | 26% | 0.255 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | L19 T22 E27 S28 V29 | L19-V25 HydrophobicContact CD2-CG1 4.17Å; T22-V25 PolarHBondContact O-N 2.98Å; T22-V25 VanDerWaalsContact OG1-CG2 3.28Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.28Å; V25-E27 PolarHBondContact O-N 2.85Å; V25-S28 PolarHBondContact O-N 2.75Å; V25-V29 HydrophobicContact CG1-CG2 4.27Å; V25-V29 WeakPolarHBondContact O-CB 3.4Å; V25-V29 VanDerWaalsContact O-CG2 3.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.34Å; V25-V29 PolarHBondContact O-N 3.33Å |
| 26 | I | 81.6 | Confident | 81.1 | Confident | 83 Ų | 83 | 91.2 Ų | 91.2 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 179.4 | -65 | 166.5 | 0 | 0 | 0 | 111.4 | T22 Q23 S30 | T22-I26 WeakPolarHBondContact O-CG1 3.39Å; T22-I26 PolarHBondContact O-N 3.13Å; Q23-I26 PolarHBondContact O-N 3.31Å; I26-S30 WeakPolarHBondContact O-CB 3.41Å; I26-S30 PolarHBondContact O-N 3.3Å; I26-S30 PolarHBondContact O-OG 2.74Å |
| 27 | E | 87.2 | Confident | 82.2 | Confident | 113 Ų | 113 | 95.5 Ų | 95.5 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 176.4 | -74.8 | -177.4 | -165.1 | 0 | 0 | 112.3 | Q23 V25 S30 K31 | Q23-E27 HydrophobicContact CG-CG 4.29Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.39Å; Q23-E27 PolarHBondContact NE2-OE1 3.17Å; Q23-E27 WeakPolarHBondContact O-CB 3.23Å; Q23-E27 WeakPolarHBondContact O-CG 3.49Å; Q23-E27 PolarHBondContact O-N 2.95Å; V25-E27 PolarHBondContact O-N 2.85Å; E27-S30 PolarHBondContact O-N 3.29Å; E27-K31 WeakPolarHBondContact O-CB 3.14Å; E27-K31 PolarHBondContact O-N 2.9Å |
| 28 | S | 86.2 | Confident | 83.3 | Confident | 75 Ų | 75 | 93.5 Ų | 93.5 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 176.4 | -172.3 | 0 | 0 | 0 | 0 | 112 | E24 V25 K31 W32 | E24-S28 VanDerWaalsContact O-CB 3.23Å; E24-S28 WeakPolarHBondContact O-CB 2.9Å; E24-S28 PolarHBondContact O-N 2.84Å; V25-S28 PolarHBondContact O-N 2.75Å; S28-K31 PolarHBondContact O-N 2.81Å; S28-W32 WeakPolarHBondContact O-CB 3.23Å; S28-W32 PolarHBondContact O-N 2.94Å |
| 29 | V | 84.4 | Confident | 84.5 | Confident | 19 Ų | 19 | 93.4 Ų | 93.4 | 12% | 0.115 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | F15 L19 V25 K31 W32 C33 | F15-V29 HydrophobicContact CD1-CG2 3.76Å; F15-V29 HydrophobicContact CD2-CG1 4.44Å; F15-V29 HydrophobicContact CD2-CG2 4.25Å; F15-V29 HydrophobicContact CE1-CG2 3.65Å; F15-V29 HydrophobicContact CE2-CG1 4.47Å; F15-V29 HydrophobicContact CE2-CG2 4.14Å; F15-V29 HydrophobicContact CG-CG2 4.08Å; F15-V29 HydrophobicContact CZ-CG2 3.86Å; L19-V29 HydrophobicContact CD2-CG2 4.45Å; V25-V29 HydrophobicContact CG1-CG2 4.27Å; V25-V29 WeakPolarHBondContact O-CB 3.4Å; V25-V29 VanDerWaalsContact O-CG2 3.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.34Å; V25-V29 PolarHBondContact O-N 3.33Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.46Å; V29-W32 PolarHBondContact O-N 3.35Å; V29-C33 WeakPolarHBondContact O-CB 3.21Å; V29-C33 PolarHBondContact O-N 3.39Å; V29-C33 PolarHBondContact O-SG 3.15Å |
| 30 | S | 87.4 | Confident | 85.7 | Confident | 59 Ų | 59 | 94.8 Ų | 94.8 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 178.3 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | I26 E27 L34 | I26-S30 WeakPolarHBondContact O-CB 3.41Å; I26-S30 PolarHBondContact O-N 3.3Å; I26-S30 PolarHBondContact O-OG 2.74Å; E27-S30 PolarHBondContact O-N 3.29Å; S30-L34 VanDerWaalsContact O-CG 3.28Å; S30-L34 WeakPolarHBondContact O-CG 3.32Å; S30-L34 PolarHBondContact O-N 2.95Å; S30-L34 VanDerWaalsContact O-N 3.14Å |
| 31 | K | 91 | Very high | 86.7 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 61% | 0.613 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.9 | -48.6 | 175.4 | -176.6 | -176.4 | 174.2 | -171.3 | 0 | 111.6 | E27 S28 V29 C33 L34 D35 | E27-K31 WeakPolarHBondContact O-CB 3.14Å; E27-K31 PolarHBondContact O-N 2.9Å; S28-K31 PolarHBondContact O-N 2.81Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.46Å; K31-C33 VanDerWaalsContact C-N 3.28Å; K31-C33 PolarHBondContact O-N 2.79Å; K31-L34 PolarHBondContact O-N 3.24Å; K31-L34 VanDerWaalsContact O-N 3.11Å; K31-D35 PolarHBondContact O-N 3.46Å |
| 32 | W | 90.9 | Very high | 87.5 | Confident | 37 Ų | 37 | 95.6 Ų | 95.6 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -56.6 | -40.6 | 177.9 | 179.5 | 106.1 | 0 | 0 | 0 | 112.1 | I8 V11 I12 F15 S28 V29 R36 I43 | I8-W32 HydrophobicContact CD1-CH2 4.43Å; I8-W32 HydrophobicContact CG1-CH2 3.86Å; V11-W32 HydrophobicContact CB-CH2 4.3Å; V11-W32 HydrophobicContact CB-CZ2 3.77Å; V11-W32 HydrophobicContact CG1-CH2 3.92Å; V11-W32 HydrophobicContact CG1-CZ2 3.27Å; V11-W32 HydrophobicContact CG2-CZ2 4.36Å; I12-W32 HydrophobicContact CG1-CH2 4.11Å; I12-W32 HydrophobicContact CG1-CZ3 4.36Å; F15-W32 HydrophobicContact CE2-CD2 4.01Å; F15-W32 HydrophobicContact CE2-CE3 4.04Å; F15-W32 HydrophobicContact CE2-CG 4.47Å; F15-W32 HydrophobicContact CE2-CZ2 4.49Å; F15-W32 HydrophobicContact CE2-CZ3 4.29Å; S28-W32 WeakPolarHBondContact O-CB 3.23Å; S28-W32 PolarHBondContact O-N 2.94Å; V29-W32 PolarHBondContact O-N 3.35Å; W32-R36 VanDerWaalsContact CD1-NH1 3.3Å; W32-R36 VanDerWaalsContact CE2-CD 3.47Å; W32-R36 VanDerWaalsContact NE1-NH1 3.17Å; W32-R36 WeakPolarHBondContact O-CB 3.44Å; W32-R36 PolarHBondContact O-N 2.99Å; W32-I43 HydrophobicContact CZ3-CD1 4.17Å; W32-I43 HydrophobicContact CZ3-CG1 4.25Å |
| 33 | C | 90 | Very high | 87.7 | Confident | 29 Ų | 29 | 93 Ų | 93 | 20% | 0.196 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.6 | -40 | 175.9 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | V29 K31 R36 R37 I43 | V29-C33 WeakPolarHBondContact O-CB 3.21Å; V29-C33 PolarHBondContact O-N 3.39Å; V29-C33 PolarHBondContact O-SG 3.15Å; K31-C33 VanDerWaalsContact C-N 3.28Å; K31-C33 PolarHBondContact O-N 2.79Å; C33-R36 CarbonylContact O-C 3.35Å; C33-R36 PolarHBondContact O-N 3.36Å; C33-R37 PolarHBondContact O-N 2.89Å; C33-R37 VanDerWaalsContact O-N 3.1Å; C33-I43 HydrophobicContact CB-CG2 4.28Å; C33-I43 VanDerWaalsContact SG-CG2 3.6Å |
| 34 | L | 91.3 | Very high | 87.8 | Confident | 122 Ų | 122 | 90.8 Ų | 90.8 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -70.2 | -36.1 | 177.8 | -71.8 | 167.9 | 0 | 0 | 0 | 112.6 | S30 K31 R37 | S30-L34 VanDerWaalsContact O-CG 3.28Å; S30-L34 WeakPolarHBondContact O-CG 3.32Å; S30-L34 PolarHBondContact O-N 2.95Å; S30-L34 VanDerWaalsContact O-N 3.14Å; K31-L34 PolarHBondContact O-N 3.24Å; K31-L34 VanDerWaalsContact O-N 3.11Å; L34-R37 WeakPolarHBondContact O-CB 3.3Å; L34-R37 PolarHBondContact O-NH1 3.45Å |
| 35 | D | 92.3 | Very high | 87.7 | Confident | 104 Ų | 104 | 89.5 Ų | 89.5 | 56% | 0.556 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 172.2 | -71.6 | -26.4 | 0 | 0 | 0 | 110.5 | K31 R37 | K31-D35 PolarHBondContact O-N 3.46Å; D35-R37 PolarHBondContact O-N 3.25Å |
| 36 | R | 91.1 | Very high | 87.6 | Confident | 109 Ų | 109 | 88.4 Ų | 88.4 | 41% | 0.411 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 21.3 | 177.7 | -73.9 | 176.5 | 173.1 | 67.7 | -0 | 115.6 | W32 C33 Q38 N39 I43 | W32-R36 VanDerWaalsContact CD1-NH1 3.3Å; W32-R36 VanDerWaalsContact CE2-CD 3.47Å; W32-R36 VanDerWaalsContact NE1-NH1 3.17Å; W32-R36 WeakPolarHBondContact O-CB 3.44Å; W32-R36 PolarHBondContact O-N 2.99Å; C33-R36 CarbonylContact O-C 3.35Å; C33-R36 PolarHBondContact O-N 3.36Å; R36-Q38 PolarHBondContact O-N 2.98Å; R36-N39 PolarHBondContact O-N 3.47Å; R36-I43 HydrophobicContact CB-CD1 4.03Å |
| 37 | R | 91.4 | Very high | 87.5 | Confident | 172 Ų | 172 | 86.2 Ų | 86.2 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -52.4 | -13.9 | -178 | 67.6 | 179.5 | 177.6 | -76.8 | -3 | 117 | C33 L34 D35 N39 H40 | C33-R37 PolarHBondContact O-N 2.89Å; C33-R37 VanDerWaalsContact O-N 3.1Å; L34-R37 WeakPolarHBondContact O-CB 3.3Å; L34-R37 PolarHBondContact O-NH1 3.45Å; D35-R37 PolarHBondContact O-N 3.25Å; R37-N39 VanDerWaalsContact C-N 3.35Å; R37-H40 WeakPolarHBondContact O-CB 3.45Å; R37-H40 PolarHBondContact O-ND1 3.31Å |
| 38 | Q | 90.3 | Very high | 87.1 | Confident | 170 Ų | 170 | 83.7 Ų | 83.7 | 79% | 0.794 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -62.7 | -44.6 | 170.5 | -67.8 | 179.1 | -7.5 | 0 | 0 | 110.4 | R36 H40 | R36-Q38 PolarHBondContact O-N 2.98Å; Q38-H40 PolarHBondContact O-N 2.95Å; Q38-H40 PolarHBondContact O-ND1 3.19Å |
| 39 | N | 88.1 | Confident | 86.3 | Confident | 72 Ų | 72 | 86.3 Ų | 86.3 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -88.9 | 23.2 | -175.7 | -58.2 | 10.6 | 0 | 0 | 0 | 112.4 | I8 R36 R37 E41 I42 I43 | I8-N39 HydrophobicContact CD1-CB 3.39Å; R36-N39 PolarHBondContact O-N 3.47Å; R37-N39 VanDerWaalsContact C-N 3.35Å; N39-E41 PolarHBondContact O-N 3.05Å; N39-E41 VanDerWaalsContact O-N 3.14Å; N39-I42 PolarHBondContact O-N 3.32Å; N39-I43 PolarHBondContact O-N 3.08Å |
| 40 | H | 89.5 | Confident | 85.8 | Confident | 106 Ų | 106 | 87.1 Ų | 87.1 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56 | -31.3 | -173.3 | 68.2 | -68.8 | 0 | 0 | 0 | 114 | R37 Q38 V44 | R37-H40 WeakPolarHBondContact O-CB 3.45Å; R37-H40 PolarHBondContact O-ND1 3.31Å; Q38-H40 PolarHBondContact O-N 2.95Å; Q38-H40 PolarHBondContact O-ND1 3.19Å; H40-V44 VanDerWaalsContact O-CB 3.25Å; H40-V44 WeakPolarHBondContact O-CB 3.37Å; H40-V44 WeakPolarHBondContact O-CG2 3.48Å; H40-V44 PolarHBondContact O-N 2.99Å |
| 41 | E | 87.6 | Confident | 85.3 | Confident | 120 Ų | 120 | 88.4 Ų | 88.4 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.4 | -40.8 | 175 | -70 | -166 | -163.5 | 0 | 0 | 113.1 | N39 K45 | N39-E41 PolarHBondContact O-N 3.05Å; N39-E41 VanDerWaalsContact O-N 3.14Å; E41-K45 WeakPolarHBondContact O-CB 3.38Å; E41-K45 WeakPolarHBondContact O-CD 3.4Å; E41-K45 WeakPolarHBondContact O-CG 3.43Å; E41-K45 PolarHBondContact O-N 3.33Å; E41-K45 IonicContact OE2-NZ 3.75Å |
| 42 | I | 86 | Confident | 84.5 | Confident | 67 Ų | 67 | 85.8 Ų | 85.8 | 34% | 0.344 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.4 | -47.3 | 180 | -55.9 | 172.6 | 0 | 0 | 0 | 109 | I8 N39 V44 K45 A46 | I8-I42 HydrophobicContact CD1-CB 4.49Å; I8-I42 HydrophobicContact CG2-CD1 4.14Å; I8-I42 HydrophobicContact CG2-CG2 3.92Å; N39-I42 PolarHBondContact O-N 3.32Å; I42-V44 VanDerWaalsContact C-N 3.35Å; I42-V44 PolarHBondContact O-N 3.08Å; I42-K45 PolarHBondContact O-N 2.96Å; I42-A46 PolarHBondContact O-N 2.69Å |
| 43 | I | 86.3 | Confident | 83.6 | Confident | 12 Ų | 12 | 87.8 Ų | 87.8 | 6% | 0.062 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -55.7 | -48.7 | 175.6 | -61.4 | 170 | 0 | 0 | 0 | 110.5 | I8 I12 W32 C33 R36 N39 A46 C47 | I8-I43 HydrophobicContact CD1-CD1 4.25Å; I8-I43 HydrophobicContact CD1-CG1 3.84Å; I12-I43 HydrophobicContact CD1-CG1 4.31Å; W32-I43 HydrophobicContact CZ3-CD1 4.17Å; W32-I43 HydrophobicContact CZ3-CG1 4.25Å; C33-I43 HydrophobicContact CB-CG2 4.28Å; C33-I43 VanDerWaalsContact SG-CG2 3.6Å; R36-I43 HydrophobicContact CB-CD1 4.03Å; N39-I43 PolarHBondContact O-N 3.08Å; I43-A46 PolarHBondContact O-N 2.74Å; I43-C47 WeakPolarHBondContact O-CB 3.37Å; I43-C47 PolarHBondContact O-N 2.67Å; I43-C47 PolarHBondContact O-SG 2.88Å |
| 44 | V | 85.3 | Confident | 83 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 56% | 0.564 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67.2 | -39.7 | 179.6 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | H40 I42 S48 | H40-V44 VanDerWaalsContact O-CB 3.25Å; H40-V44 WeakPolarHBondContact O-CB 3.37Å; H40-V44 WeakPolarHBondContact O-CG2 3.48Å; H40-V44 PolarHBondContact O-N 2.99Å; I42-V44 VanDerWaalsContact C-N 3.35Å; I42-V44 PolarHBondContact O-N 3.08Å; V44-S48 VanDerWaalsContact O-CB 3.25Å; V44-S48 WeakPolarHBondContact O-CB 3.4Å; V44-S48 PolarHBondContact O-N 2.78Å |
| 45 | K | 82.9 | Confident | 82.7 | Confident | 134 Ų | 134 | 86.5 Ų | 86.5 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59 | -50.4 | 175.6 | -79.2 | 163.9 | -176 | 161.7 | 0 | 111.2 | E41 I42 S48 | E41-K45 WeakPolarHBondContact O-CB 3.38Å; E41-K45 WeakPolarHBondContact O-CD 3.4Å; E41-K45 WeakPolarHBondContact O-CG 3.43Å; E41-K45 PolarHBondContact O-N 3.33Å; E41-K45 IonicContact OE2-NZ 3.75Å; I42-K45 PolarHBondContact O-N 2.96Å; K45-S48 PolarHBondContact O-N 3.27Å; K45-S48 PolarHBondContact O-OG 3.32Å |
| 46 | A | 78.3 | Confident | 82 | Confident | 19 Ų | 19 | 84.4 Ų | 84.4 | 16% | 0.157 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71 | -48.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I12 I42 I43 S48 K49 | I12-A46 HydrophobicContact CB-CB 4.32Å; I12-A46 HydrophobicContact CD1-CB 4.09Å; I12-A46 HydrophobicContact CG2-CB 3.49Å; I12-A46 VanDerWaalsContact CG2-CB 3.49Å; I42-A46 PolarHBondContact O-N 2.69Å; I43-A46 PolarHBondContact O-N 2.74Å; A46-S48 PolarHBondContact O-N 2.93Å; A46-S48 VanDerWaalsContact O-N 3.1Å; A46-K49 WeakPolarHBondContact O-CB 3.33Å; A46-K49 PolarHBondContact O-N 3.34Å; A46-K49 VanDerWaalsContact O-N 3.1Å |
| 47 | C | 79.6 | Confident | 81.6 | Confident | 37 Ų | 37 | 87.5 Ų | 87.5 | 25% | 0.25 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.1 | -24.6 | 174 | -67.4 | 0 | 0 | 0 | 0 | 113.3 | I43 K49 A50 L51 | I43-C47 WeakPolarHBondContact O-CB 3.37Å; I43-C47 PolarHBondContact O-N 2.67Å; I43-C47 PolarHBondContact O-SG 2.88Å; C47-K49 VanDerWaalsContact C-N 3.26Å; C47-K49 PolarHBondContact O-N 3.43Å; C47-A50 PolarHBondContact O-N 2.93Å; C47-L51 HydrophobicContact CB-CD1 4.06Å; C47-L51 VanDerWaalsContact O-CB 3.26Å; C47-L51 WeakPolarHBondContact O-CB 3.42Å; C47-L51 WeakPolarHBondContact O-CG 3.45Å; C47-L51 PolarHBondContact O-N 3.42Å |
| 48 | S | 78.6 | Confident | 81.4 | Confident | 61 Ų | 61 | 81 Ų | 81 | 43% | 0.427 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.9 | -32.3 | 177 | 76.8 | 0 | 0 | 0 | 0 | 113 | V44 K45 A46 L52 | V44-S48 VanDerWaalsContact O-CB 3.25Å; V44-S48 WeakPolarHBondContact O-CB 3.4Å; V44-S48 PolarHBondContact O-N 2.78Å; K45-S48 PolarHBondContact O-N 3.27Å; K45-S48 PolarHBondContact O-OG 3.32Å; A46-S48 PolarHBondContact O-N 2.93Å; A46-S48 VanDerWaalsContact O-N 3.1Å; S48-L52 VanDerWaalsContact O-CG 3.29Å; S48-L52 WeakPolarHBondContact O-CG 3.38Å; S48-L52 PolarHBondContact O-N 3.43Å |
| 49 | K | 71 | Confident | 81.3 | Confident | 129 Ų | 129 | 73.1 Ų | 73.1 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.8 | -60.1 | 173.3 | -61.6 | 179.9 | -176.8 | 173 | 0 | 110.7 | A46 C47 L51 L52 | A46-K49 WeakPolarHBondContact O-CB 3.33Å; A46-K49 PolarHBondContact O-N 3.34Å; A46-K49 VanDerWaalsContact O-N 3.1Å; C47-K49 VanDerWaalsContact C-N 3.26Å; C47-K49 PolarHBondContact O-N 3.43Å; K49-L51 VanDerWaalsContact C-N 3.27Å; K49-L51 PolarHBondContact O-N 2.94Å; K49-L52 PolarHBondContact O-N 3.04Å |
| 50 | A | 73.1 | Confident | 81.2 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.7 | -26.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | C47 | C47-A50 PolarHBondContact O-N 2.93Å |
| 51 | L | 76.3 | Confident | 81.1 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -88.2 | -15.2 | -179.9 | -65.3 | 174.1 | 0 | 0 | 0 | 114.2 | C47 K49 H54 L55 I58 | C47-L51 HydrophobicContact CB-CD1 4.06Å; C47-L51 VanDerWaalsContact O-CB 3.26Å; C47-L51 WeakPolarHBondContact O-CB 3.42Å; C47-L51 WeakPolarHBondContact O-CG 3.45Å; C47-L51 PolarHBondContact O-N 3.42Å; K49-L51 VanDerWaalsContact C-N 3.27Å; K49-L51 PolarHBondContact O-N 2.94Å; L51-H54 CarbonylContact O-C 3.58Å; L51-H54 PolarHBondContact O-N 3.15Å; L51-L55 PolarHBondContact O-N 2.85Å; L51-I58 HydrophobicContact CB-CD1 4.27Å; L51-I58 HydrophobicContact CD2-CD1 3.86Å |
| 52 | L | 74 | Confident | 81.4 | Confident | 85 Ų | 85 | 71.5 Ų | 71.5 | 45% | 0.445 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -55.6 | -48.5 | 179.4 | -92.1 | 162.6 | 0 | 0 | 0 | 113.3 | S48 K49 H54 L55 L85 | S48-L52 VanDerWaalsContact O-CG 3.29Å; S48-L52 WeakPolarHBondContact O-CG 3.38Å; S48-L52 PolarHBondContact O-N 3.43Å; K49-L52 PolarHBondContact O-N 3.04Å; L52-H54 PolarHBondContact O-N 3.01Å; L52-L55 HydrophobicContact CD2-CD2 4.49Å; L52-L55 WeakPolarHBondContact O-CB 3.47Å; L52-L55 PolarHBondContact O-N 2.93Å; L52-L55 VanDerWaalsContact O-N 3.13Å; L52-L85 HydrophobicContact CD2-CD1 4.19Å; L52-L85 HydrophobicContact CD2-CD2 3.99Å |
| 53 | P | 73.1 | Confident | 81.6 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -62.6 | -9.4 | 175.9 | -23.3 | 34.9 | 0 | 0 | 0 | 114.7 | L97 | P53-L97 HydrophobicContact CB-CD2 4.34Å; P53-L97 HydrophobicContact CG-CD2 4.01Å |
| 54 | H | 77.8 | Confident | 81.8 | Confident | 92 Ų | 92 | 76.8 Ų | 76.8 | 43% | 0.426 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -116.3 | -1.7 | -178.8 | -62.6 | -13.5 | 0 | 0 | 0 | 112.8 | L51 L52 A56 R57 I58 | L51-H54 CarbonylContact O-C 3.58Å; L51-H54 PolarHBondContact O-N 3.15Å; L52-H54 PolarHBondContact O-N 3.01Å; H54-A56 PolarHBondContact O-N 3.29Å; H54-R57 WeakPolarHBondContact O-CB 3.38Å; H54-R57 PolarHBondContact O-N 3.02Å; H54-I58 HydrophobicContact CB-CD1 3.84Å; H54-I58 HydrophobicContact CB-CG1 4.37Å; H54-I58 WeakPolarHBondContact O-CG1 3.48Å; H54-I58 PolarHBondContact O-N 3.27Å |
| 55 | L | 83.3 | Confident | 82.1 | Confident | 32 Ų | 32 | 81.3 Ų | 81.3 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -55.3 | -45.6 | -171.8 | -176 | 64.7 | 0 | 0 | 0 | 112.6 | L51 L52 R57 I58 V59 L85 | L51-L55 PolarHBondContact O-N 2.85Å; L52-L55 HydrophobicContact CD2-CD2 4.49Å; L52-L55 WeakPolarHBondContact O-CB 3.47Å; L52-L55 PolarHBondContact O-N 2.93Å; L52-L55 VanDerWaalsContact O-N 3.13Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 3.29Å; L55-I58 PolarHBondContact O-N 3Å; L55-V59 HydrophobicContact CD1-CG2 3.9Å; L55-V59 HydrophobicContact CG-CG2 4.12Å; L55-V59 WeakPolarHBondContact O-CB 3.41Å; L55-V59 VanDerWaalsContact O-CG2 3.28Å; L55-V59 WeakPolarHBondContact O-CG2 3.12Å; L55-V59 PolarHBondContact O-N 3.27Å; L55-L85 HydrophobicContact CD2-CD1 4.25Å |
| 56 | A | 78.9 | Confident | 82.5 | Confident | 60 Ų | 60 | 79.3 Ų | 79.3 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.8 | -37.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | H54 K60 | H54-A56 PolarHBondContact O-N 3.29Å; A56-K60 WeakPolarHBondContact O-CB 3.22Å; A56-K60 PolarHBondContact O-N 2.7Å |
| 57 | R | 83.4 | Confident | 83.1 | Confident | 174 Ų | 174 | 81 Ų | 81 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -70 | -41.2 | 175.4 | -170.9 | -174.5 | -66.4 | 161.3 | -0.4 | 111 | H54 L55 I61 | H54-R57 WeakPolarHBondContact O-CB 3.38Å; H54-R57 PolarHBondContact O-N 3.02Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 3.29Å; R57-I61 HydrophobicContact CG-CD1 4.32Å; R57-I61 WeakPolarHBondContact O-CG1 3.31Å; R57-I61 PolarHBondContact O-N 2.96Å; R57-I61 VanDerWaalsContact O-N 3.11Å |
| 58 | I | 85.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 83.3 Ų | 83.3 | 19% | 0.185 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.2 | -49.4 | 179.2 | -66.9 | 164.5 | 0 | 0 | 0 | 110.9 | L51 H54 L55 K60 I61 W62 | L51-I58 HydrophobicContact CB-CD1 4.27Å; L51-I58 HydrophobicContact CD2-CD1 3.86Å; H54-I58 HydrophobicContact CB-CD1 3.84Å; H54-I58 HydrophobicContact CB-CG1 4.37Å; H54-I58 WeakPolarHBondContact O-CG1 3.48Å; H54-I58 PolarHBondContact O-N 3.27Å; L55-I58 PolarHBondContact O-N 3Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.04Å; I58-I61 PolarHBondContact O-N 3.23Å; I58-I61 VanDerWaalsContact O-N 3.13Å; I58-W62 HydrophobicContact CG2-CD2 3.77Å; I58-W62 HydrophobicContact CG2-CE3 4.12Å; I58-W62 HydrophobicContact CG2-CG 4.44Å; I58-W62 HydrophobicContact CG2-CH2 3.78Å; I58-W62 HydrophobicContact CG2-CZ2 3.37Å; I58-W62 HydrophobicContact CG2-CZ3 4.13Å; I58-W62 PolarHBondContact O-N 2.91Å |
| 59 | V | 88.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 84.4 Ų | 84.4 | 2% | 0.018 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 177.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L55 W62 E63 V73 L76 R77 | L55-V59 HydrophobicContact CD1-CG2 3.9Å; L55-V59 HydrophobicContact CG-CG2 4.12Å; L55-V59 WeakPolarHBondContact O-CB 3.41Å; L55-V59 VanDerWaalsContact O-CG2 3.28Å; L55-V59 WeakPolarHBondContact O-CG2 3.12Å; L55-V59 PolarHBondContact O-N 3.27Å; V59-W62 HydrophobicContact CG2-CE3 4.48Å; V59-W62 PolarHBondContact O-N 3.4Å; V59-E63 PolarHBondContact O-N 2.89Å; V59-V73 HydrophobicContact CG1-CG1 4.27Å; V59-L76 HydrophobicContact CG1-CB 4.39Å; V59-L76 HydrophobicContact CG2-CB 3.89Å; V59-R77 HydrophobicContact CG1-CB 4.43Å |
| 60 | K | 86.8 | Confident | 85.1 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 52% | 0.517 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 172.9 | -179.4 | 175.3 | 172.1 | 178.6 | 0 | 112.4 | A56 I58 W62 E63 E64 | A56-K60 WeakPolarHBondContact O-CB 3.22Å; A56-K60 PolarHBondContact O-N 2.7Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.04Å; K60-W62 VanDerWaalsContact C-N 3.29Å; K60-W62 PolarHBondContact O-N 3.31Å; K60-E63 PolarHBondContact O-N 3.13Å; K60-E64 WeakPolarHBondContact CE-OE1 3.28Å; K60-E64 IonicContact NZ-OE1 3.62Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.5Å |
| 61 | I | 87.3 | Confident | 85.8 | Confident | 63 Ų | 63 | 89.5 Ų | 89.5 | 32% | 0.323 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 176.5 | -67.5 | 164 | 0 | 0 | 0 | 111.1 | R57 I58 R65 | R57-I61 HydrophobicContact CG-CD1 4.32Å; R57-I61 WeakPolarHBondContact O-CG1 3.31Å; R57-I61 PolarHBondContact O-N 2.96Å; R57-I61 VanDerWaalsContact O-N 3.11Å; I58-I61 PolarHBondContact O-N 3.23Å; I58-I61 VanDerWaalsContact O-N 3.13Å; I61-R65 WeakPolarHBondContact O-CB 3.37Å; I61-R65 WeakPolarHBondContact O-CG 3.41Å; I61-R65 PolarHBondContact O-N 2.87Å |
| 62 | W | 92.7 | Very high | 86.5 | Confident | 82 Ų | 82 | 88.2 Ų | 88.2 | 31% | 0.311 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.6 | -34.2 | 176 | -68.4 | -9.9 | 0 | 0 | 0 | 113.2 | I58 V59 K60 N66 V67 F68 L76 | I58-W62 HydrophobicContact CG2-CD2 3.77Å; I58-W62 HydrophobicContact CG2-CE3 4.12Å; I58-W62 HydrophobicContact CG2-CG 4.44Å; I58-W62 HydrophobicContact CG2-CH2 3.78Å; I58-W62 HydrophobicContact CG2-CZ2 3.37Å; I58-W62 HydrophobicContact CG2-CZ3 4.13Å; I58-W62 PolarHBondContact O-N 2.91Å; V59-W62 HydrophobicContact CG2-CE3 4.48Å; V59-W62 PolarHBondContact O-N 3.4Å; K60-W62 VanDerWaalsContact C-N 3.29Å; K60-W62 PolarHBondContact O-N 3.31Å; W62-N66 WeakPolarHBondContact O-CA 3.13Å; W62-N66 PolarHBondContact O-N 2.95Å; W62-V67 HydrophobicContact CB-CB 4.18Å; W62-V67 HydrophobicContact CB-CG2 4.38Å; W62-V67 HydrophobicContact CG-CB 4.29Å; W62-V67 HydrophobicContact CG-CG2 4.42Å; W62-V67 PolarHBondContact O-N 3.2Å; W62-F68 HydrophobicContact CB-CD2 4.26Å; W62-F68 AromaticContact CD2-CD2 3.81Å; W62-F68 HydrophobicContact CD2-CD2 3.81Å; W62-F68 AromaticContact CD2-CE2 3.6Å; W62-F68 HydrophobicContact CD2-CE2 3.6Å; W62-F68 AromaticContact CE2-CE2 3.88Å; W62-F68 AromaticContact CE3-CD2 3.63Å; W62-F68 HydrophobicContact CE3-CD2 3.63Å; W62-F68 AromaticContact CE3-CE2 3.53Å; W62-F68 HydrophobicContact CE3-CE2 3.53Å; W62-F68 HydrophobicContact CG-CD2 4.12Å; W62-F68 HydrophobicContact CG-CE2 4.21Å; W62-F68 HydrophobicContact CH2-CE2 4.03Å; W62-F68 HydrophobicContact CZ2-CE2 4.09Å; W62-F68 HydrophobicContact CZ3-CD2 4.21Å; W62-F68 AromaticContact CZ3-CE2 3.75Å; W62-F68 HydrophobicContact CZ3-CE2 3.75Å; W62-L76 HydrophobicContact CE3-CD1 4.25Å; W62-L76 HydrophobicContact CZ3-CD1 4Å |
| 63 | E | 90.4 | Very high | 87.1 | Confident | 68 Ų | 68 | 84.3 Ų | 84.3 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.2 | -52.8 | 171.6 | -173.4 | 176.5 | -124.3 | 0 | 0 | 111.5 | V59 K60 R65 N66 V73 R77 | V59-E63 PolarHBondContact O-N 2.89Å; K60-E63 PolarHBondContact O-N 3.13Å; E63-R65 PolarHBondContact O-N 3.11Å; E63-N66 PolarHBondContact O-N 3.37Å; E63-N66 PolarHBondContact O-ND2 2.88Å; E63-V73 HydrophobicContact CB-CG1 3.78Å; E63-V73 HydrophobicContact CG-CG1 4.05Å; E63-R77 VanDerWaalsContact CD-NH2 3.25Å; E63-R77 IonicContact OE1-CZ 3.05Å; E63-R77 IonicContact OE1-NH1 3.27Å; E63-R77 PolarHBondContact OE1-NH1 3.17Å; E63-R77 IonicContact OE1-NH2 3.32Å; E63-R77 PolarHBondContact OE1-NH2 2.96Å; E63-R77 IonicContact OE2-CZ 2.81Å; E63-R77 IonicContact OE2-NH1 2.73Å; E63-R77 IonicContact OE2-NH2 3.34Å; E63-R77 PolarHBondContact OE2-NH2 3Å |
| 64 | E | 91.2 | Very high | 87.8 | Confident | 123 Ų | 123 | 84.2 Ų | 84.2 | 58% | 0.575 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -56.6 | -40.1 | -179.6 | -73 | 173.4 | -178.1 | 0 | 0 | 111.6 | K60 N66 | K60-E64 WeakPolarHBondContact CE-OE1 3.28Å; K60-E64 IonicContact NZ-OE1 3.62Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.5Å; E64-N66 PolarHBondContact O-ND2 3.29Å |
| 65 | R | 92.4 | Very high | 88.2 | Confident | 188 Ų | 188 | 85.6 Ų | 85.6 | 71% | 0.709 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2.4 | 178.3 | -63.6 | 178.9 | -178 | -170.9 | 0.9 | 114.4 | I61 E63 V67 | I61-R65 WeakPolarHBondContact O-CB 3.37Å; I61-R65 WeakPolarHBondContact O-CG 3.41Å; I61-R65 PolarHBondContact O-N 2.87Å; E63-R65 PolarHBondContact O-N 3.11Å; R65-V67 VanDerWaalsContact C-N 3.3Å; R65-V67 HydrophobicContact CB-CG2 3.81Å; R65-V67 PolarHBondContact O-N 3.21Å |
| 66 | N | 89.3 | Confident | 88.3 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 49% | 0.492 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 45.7 | -175.6 | -64.2 | -104.2 | 0 | 0 | 0 | 113.1 | W62 E63 E64 | W62-N66 WeakPolarHBondContact O-CA 3.13Å; W62-N66 PolarHBondContact O-N 2.95Å; E63-N66 PolarHBondContact O-N 3.37Å; E63-N66 PolarHBondContact O-ND2 2.88Å; E64-N66 PolarHBondContact O-ND2 3.29Å |
| 67 | V | 91.6 | Very high | 88.4 | Confident | 54 Ų | 54 | 86.9 Ų | 86.9 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | trans | -69.6 | -37 | -178.4 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | W62 R65 | W62-V67 HydrophobicContact CB-CB 4.18Å; W62-V67 HydrophobicContact CB-CG2 4.38Å; W62-V67 HydrophobicContact CG-CB 4.29Å; W62-V67 HydrophobicContact CG-CG2 4.42Å; W62-V67 PolarHBondContact O-N 3.2Å; R65-V67 VanDerWaalsContact C-N 3.3Å; R65-V67 HydrophobicContact CB-CG2 3.81Å; R65-V67 PolarHBondContact O-N 3.21Å | ||
| 68 | F | 91 | Very high | 88.3 | Confident | 86 Ų | 86 | 82.7 Ų | 82.7 | 38% | 0.377 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -122.5 | 164.1 | -180 | -66.2 | -72 | 0 | 0 | 0 | 111 | W62 L72 V73 | W62-F68 HydrophobicContact CB-CD2 4.26Å; W62-F68 AromaticContact CD2-CD2 3.81Å; W62-F68 HydrophobicContact CD2-CD2 3.81Å; W62-F68 AromaticContact CD2-CE2 3.6Å; W62-F68 HydrophobicContact CD2-CE2 3.6Å; W62-F68 AromaticContact CE2-CE2 3.88Å; W62-F68 AromaticContact CE3-CD2 3.63Å; W62-F68 HydrophobicContact CE3-CD2 3.63Å; W62-F68 AromaticContact CE3-CE2 3.53Å; W62-F68 HydrophobicContact CE3-CE2 3.53Å; W62-F68 HydrophobicContact CG-CD2 4.12Å; W62-F68 HydrophobicContact CG-CE2 4.21Å; W62-F68 HydrophobicContact CH2-CE2 4.03Å; W62-F68 HydrophobicContact CZ2-CE2 4.09Å; W62-F68 HydrophobicContact CZ3-CD2 4.21Å; W62-F68 AromaticContact CZ3-CE2 3.75Å; W62-F68 HydrophobicContact CZ3-CE2 3.75Å; F68-L72 HydrophobicContact CB-CD2 4.28Å; F68-L72 HydrophobicContact CD1-CD2 3.95Å; F68-L72 HydrophobicContact CG-CD2 4.21Å; F68-V73 HydrophobicContact CB-CG2 3.93Å |
| 69 | N | 90.7 | Very high | 87.5 | Confident | 83 Ų | 83 | 85.3 Ų | 85.3 | 44% | 0.444 | 40% | 0.403 | S | S | . | . | trans | -66.4 | 149.7 | 175.2 | 62 | -45.6 | 0 | 0 | 0 | 111.2 | E71 L72 V73 | N69-E71 PolarHBondContact ND2-OE2 3.28Å; N69-E71 PolarHBondContact O-N 3.36Å; N69-E71 VanDerWaalsContact O-N 3.14Å; N69-L72 PolarHBondContact O-N 3.11Å; N69-L72 VanDerWaalsContact OD1-CB 3.25Å; N69-L72 WeakPolarHBondContact OD1-CB 3.23Å; N69-V73 WeakPolarHBondContact O-CG2 3.09Å; N69-V73 PolarHBondContact O-N 2.6Å | ||
| 70 | K | 88.9 | Confident | 86.5 | Confident | 138 Ų | 138 | 86.2 Ų | 86.2 | 60% | 0.6 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.6 | -21.8 | -175.2 | -63.1 | -170.2 | 177.1 | -169.7 | 0 | 113.7 | N74 | K70-N74 VanDerWaalsContact O-CB 3.28Å; K70-N74 WeakPolarHBondContact O-CB 3.49Å; K70-N74 PolarHBondContact O-N 2.87Å; K70-N74 PolarHBondContact O-ND2 3.29Å |
| 71 | E | 89.3 | Confident | 85.2 | Confident | 135 Ų | 135 | 82.8 Ų | 82.8 | 63% | 0.631 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -68.6 | -55.1 | 173 | -61.1 | 135 | 155 | 0 | 0 | 110.2 | N69 V73 N74 E75 | N69-E71 PolarHBondContact ND2-OE2 3.28Å; N69-E71 PolarHBondContact O-N 3.36Å; N69-E71 VanDerWaalsContact O-N 3.14Å; E71-V73 VanDerWaalsContact C-N 3.32Å; E71-V73 PolarHBondContact O-N 2.92Å; E71-N74 CarbonylContact O-C 3.57Å; E71-N74 WeakPolarHBondContact O-CA 3.4Å; E71-N74 PolarHBondContact O-N 3.02Å; E71-E75 WeakPolarHBondContact O-CG 3.08Å; E71-E75 PolarHBondContact O-N 2.83Å |
| 72 | L | 89.2 | Confident | 83.5 | Confident | 60 Ų | 60 | 86.1 Ų | 86.1 | 31% | 0.314 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 177 | -178 | 62 | 0 | 0 | 0 | 112.3 | F68 N69 N74 E75 L76 | F68-L72 HydrophobicContact CB-CD2 4.28Å; F68-L72 HydrophobicContact CD1-CD2 3.95Å; F68-L72 HydrophobicContact CG-CD2 4.21Å; N69-L72 PolarHBondContact O-N 3.11Å; N69-L72 VanDerWaalsContact OD1-CB 3.25Å; N69-L72 WeakPolarHBondContact OD1-CB 3.23Å; L72-N74 VanDerWaalsContact C-N 3.28Å; L72-N74 PolarHBondContact O-N 2.93Å; L72-E75 PolarHBondContact O-N 2.91Å; L72-L76 HydrophobicContact CD1-CD1 4.25Å; L72-L76 HydrophobicContact CD1-CG 4.11Å; L72-L76 HydrophobicContact CG-CD1 3.97Å; L72-L76 HydrophobicContact CG-CG 4.28Å; L72-L76 VanDerWaalsContact O-CB 3.26Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.19Å |
| 73 | V | 88.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 89.3 Ų | 89.3 | 2% | 0.018 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63 | -35.4 | 173.7 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | V59 E63 F68 N69 E71 R77 | V59-V73 HydrophobicContact CG1-CG1 4.27Å; E63-V73 HydrophobicContact CB-CG1 3.78Å; E63-V73 HydrophobicContact CG-CG1 4.05Å; F68-V73 HydrophobicContact CB-CG2 3.93Å; N69-V73 WeakPolarHBondContact O-CG2 3.09Å; N69-V73 PolarHBondContact O-N 2.6Å; E71-V73 VanDerWaalsContact C-N 3.32Å; E71-V73 PolarHBondContact O-N 2.92Å; V73-R77 WeakPolarHBondContact O-CB 3.45Å; V73-R77 PolarHBondContact O-N 2.97Å |
| 74 | N | 86.1 | Confident | 79.6 | Confident | 78 Ų | 78 | 90.5 Ų | 90.5 | 42% | 0.417 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -76.8 | -35.1 | 175.7 | -76.7 | -30.8 | 0 | 0 | 0 | 112.8 | K70 E71 L72 R77 V78 | K70-N74 VanDerWaalsContact O-CB 3.28Å; K70-N74 WeakPolarHBondContact O-CB 3.49Å; K70-N74 PolarHBondContact O-N 2.87Å; K70-N74 PolarHBondContact O-ND2 3.29Å; E71-N74 CarbonylContact O-C 3.57Å; E71-N74 WeakPolarHBondContact O-CA 3.4Å; E71-N74 PolarHBondContact O-N 3.02Å; L72-N74 VanDerWaalsContact C-N 3.28Å; L72-N74 PolarHBondContact O-N 2.93Å; N74-R77 PolarHBondContact O-N 3.14Å; N74-R77 PolarHBondContact OD1-NH1 3.01Å; N74-V78 WeakPolarHBondContact O-CG2 3.35Å; N74-V78 PolarHBondContact O-N 2.93Å |
| 75 | E | 86.5 | Confident | 77.6 | Confident | 120 Ų | 120 | 87 Ų | 87 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.4 | -49.5 | 171.8 | -71.1 | 171.5 | 179.9 | 0 | 0 | 110.8 | E71 L72 R77 V78 L79 | E71-E75 WeakPolarHBondContact O-CG 3.08Å; E71-E75 PolarHBondContact O-N 2.83Å; L72-E75 PolarHBondContact O-N 2.91Å; E75-R77 VanDerWaalsContact C-N 3.27Å; E75-R77 PolarHBondContact O-N 3Å; E75-V78 PolarHBondContact O-N 3.32Å; E75-V78 VanDerWaalsContact O-N 3.15Å; E75-L79 WeakPolarHBondContact O-CG 3.16Å; E75-L79 PolarHBondContact O-N 3.11Å |
| 76 | L | 85.1 | Confident | 75.1 | Confident | 36 Ų | 36 | 80.2 Ų | 80.2 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.7 | -33.6 | 173.4 | -71.5 | 173.5 | 0 | 0 | 0 | 112.3 | V59 W62 L72 S80 | V59-L76 HydrophobicContact CG1-CB 4.39Å; V59-L76 HydrophobicContact CG2-CB 3.89Å; W62-L76 HydrophobicContact CE3-CD1 4.25Å; W62-L76 HydrophobicContact CZ3-CD1 4Å; L72-L76 HydrophobicContact CD1-CD1 4.25Å; L72-L76 HydrophobicContact CD1-CG 4.11Å; L72-L76 HydrophobicContact CG-CD1 3.97Å; L72-L76 HydrophobicContact CG-CG 4.28Å; L72-L76 VanDerWaalsContact O-CB 3.26Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.19Å; L76-S80 VanDerWaalsContact O-CB 3.23Å; L76-S80 WeakPolarHBondContact O-CB 3.39Å; L76-S80 PolarHBondContact O-N 3.32Å; L76-S80 PolarHBondContact O-OG 3.42Å |
| 77 | R | 82.2 | Confident | 73.1 | Confident | 83 Ų | 83 | 83.7 Ų | 83.7 | 31% | 0.313 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 171.5 | 166.5 | 177.7 | -78 | 134.2 | -3.7 | 112.2 | V59 E63 V73 N74 E75 L79 S80 S81 | V59-R77 HydrophobicContact CG1-CB 4.43Å; E63-R77 VanDerWaalsContact CD-NH2 3.25Å; E63-R77 IonicContact OE1-CZ 3.05Å; E63-R77 IonicContact OE1-NH1 3.27Å; E63-R77 PolarHBondContact OE1-NH1 3.17Å; E63-R77 IonicContact OE1-NH2 3.32Å; E63-R77 PolarHBondContact OE1-NH2 2.96Å; E63-R77 IonicContact OE2-CZ 2.81Å; E63-R77 IonicContact OE2-NH1 2.73Å; E63-R77 IonicContact OE2-NH2 3.34Å; E63-R77 PolarHBondContact OE2-NH2 3Å; V73-R77 WeakPolarHBondContact O-CB 3.45Å; V73-R77 PolarHBondContact O-N 2.97Å; N74-R77 PolarHBondContact O-N 3.14Å; N74-R77 PolarHBondContact OD1-NH1 3.01Å; E75-R77 VanDerWaalsContact C-N 3.27Å; E75-R77 PolarHBondContact O-N 3Å; R77-L79 VanDerWaalsContact C-N 3.28Å; R77-L79 PolarHBondContact O-N 3.37Å; R77-S80 CarbonylContact O-C 3.56Å; R77-S80 PolarHBondContact O-N 2.97Å; R77-S80 PolarHBondContact O-OG 3.36Å; R77-S81 WeakPolarHBondContact O-CB 3.35Å; R77-S81 PolarHBondContact O-N 3.42Å; R77-S81 PolarHBondContact O-OG 3.17Å |
| 78 | V | 80.1 | Confident | 70.8 | Confident | 86 Ų | 86 | 89.1 Ų | 89.1 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 177.2 | 165.7 | 0 | 0 | 0 | 0 | 110.6 | N74 E75 L84 | N74-V78 WeakPolarHBondContact O-CG2 3.35Å; N74-V78 PolarHBondContact O-N 2.93Å; E75-V78 PolarHBondContact O-N 3.32Å; E75-V78 VanDerWaalsContact O-N 3.15Å; V78-L84 HydrophobicContact CG1-CD1 3.85Å |
| 79 | L | 70.7 | Confident | 68.4 | Low | 92 Ų | 92 | 87 Ų | 87 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67 | -44.1 | 170 | -66 | 170.7 | 0 | 0 | 0 | 111.8 | E75 R77 S81 L84 L85 | E75-L79 WeakPolarHBondContact O-CG 3.16Å; E75-L79 PolarHBondContact O-N 3.11Å; R77-L79 VanDerWaalsContact C-N 3.28Å; R77-L79 PolarHBondContact O-N 3.37Å; L79-S81 PolarHBondContact O-N 3.04Å; L79-L84 HydrophobicContact CD2-CD1 4.5Å; L79-L85 VanDerWaalsContact O-CG 3.26Å; L79-L85 WeakPolarHBondContact O-CG 3.28Å |
| 80 | S | 66.5 | Low | 66 | Low | 21 Ų | 21 | 84 Ų | 84 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 9.7 | 178.3 | 88.5 | 0 | 0 | 0 | 0 | 114.4 | L76 R77 | L76-S80 VanDerWaalsContact O-CB 3.23Å; L76-S80 WeakPolarHBondContact O-CB 3.39Å; L76-S80 PolarHBondContact O-N 3.32Å; L76-S80 PolarHBondContact O-OG 3.42Å; R77-S80 CarbonylContact O-C 3.56Å; R77-S80 PolarHBondContact O-N 2.97Å; R77-S80 PolarHBondContact O-OG 3.36Å |
| 81 | S | 60 | Low | 63.8 | Low | 48 Ų | 48 | 80.3 Ų | 80.3 | 34% | 0.336 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -91.5 | 151.6 | 179.3 | -68 | 0 | 0 | 0 | 0 | 110.7 | R77 L79 E83 L84 | R77-S81 WeakPolarHBondContact O-CB 3.35Å; R77-S81 PolarHBondContact O-N 3.42Å; R77-S81 PolarHBondContact O-OG 3.17Å; L79-S81 PolarHBondContact O-N 3.04Å; S81-E83 PolarHBondContact O-N 3.3Å; S81-L84 PolarHBondContact O-N 2.95Å |
| 82 | D | 50.6 | Low | 61.6 | Low | 133 Ų | 133 | 74.9 Ų | 74.9 | 71% | 0.711 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 29 | -179 | -73.1 | -72.5 | 0 | 0 | 0 | 116.4 | N86 | D82-N86 VanDerWaalsContact C-CG 3.49Å; D82-N86 VanDerWaalsContact C-ND2 3.31Å; D82-N86 VanDerWaalsContact CA-CG 3.5Å; D82-N86 WeakPolarHBondContact CA-ND2 3.41Å; D82-N86 WeakPolarHBondContact CB-ND2 3.34Å; D82-N86 WeakPolarHBondContact O-CB 3.28Å; D82-N86 PolarHBondContact O-ND2 3.19Å; D82-N86 PolarHBondContact OD1-ND2 3.17Å |
| 83 | E | 52.3 | Low | 59.3 | Low | 149 Ų | 149 | 73.9 Ų | 73.9 | 70% | 0.696 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | -55.1 | 176.7 | -131.4 | 168.7 | -165.4 | 0 | 0 | 109.9 | S81 N86 E87 | S81-E83 PolarHBondContact O-N 3.3Å; E83-N86 PolarHBondContact O-N 3.23Å; E83-E87 WeakPolarHBondContact O-CG 3.45Å; E83-E87 PolarHBondContact O-N 3.48Å |
| 84 | L | 48.3 | Very low | 56.8 | Low | 93 Ų | 93 | 76.6 Ų | 76.6 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -36.7 | -176.1 | -68.6 | 179.8 | 0 | 0 | 0 | 114.8 | V78 L79 S81 N86 | V78-L84 HydrophobicContact CG1-CD1 3.85Å; L79-L84 HydrophobicContact CD2-CD1 4.5Å; S81-L84 PolarHBondContact O-N 2.95Å; L84-N86 VanDerWaalsContact C-N 3.27Å |
| 85 | L | 49.2 | Very low | 54.8 | Low | 48 Ų | 48 | 75.5 Ų | 75.5 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17.7 | 164.5 | -84.8 | 176.8 | 0 | 0 | 0 | 111.5 | L52 L55 L79 S89 A90 | L52-L85 HydrophobicContact CD2-CD1 4.19Å; L52-L85 HydrophobicContact CD2-CD2 3.99Å; L55-L85 HydrophobicContact CD2-CD1 4.25Å; L79-L85 VanDerWaalsContact O-CG 3.26Å; L79-L85 WeakPolarHBondContact O-CG 3.28Å; L85-S89 CarbonylContact O-C 3.43Å; L85-S89 WeakPolarHBondContact O-CA 3.27Å; L85-S89 WeakPolarHBondContact O-CB 3.49Å; L85-S89 PolarHBondContact O-N 3.01Å; L85-A90 PolarHBondContact O-N 3.34Å |
| 86 | N | 41.2 | Very low | 52.5 | Low | 46 Ų | 46 | 71.4 Ų | 71.4 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -83.9 | -40.4 | 179.4 | -74 | 7.9 | 0 | 0 | 0 | 112.9 | D82 E83 L84 R88 A90 | D82-N86 VanDerWaalsContact C-CG 3.49Å; D82-N86 VanDerWaalsContact C-ND2 3.31Å; D82-N86 VanDerWaalsContact CA-CG 3.5Å; D82-N86 WeakPolarHBondContact CA-ND2 3.41Å; D82-N86 WeakPolarHBondContact CB-ND2 3.34Å; D82-N86 WeakPolarHBondContact O-CB 3.28Å; D82-N86 PolarHBondContact O-ND2 3.19Å; D82-N86 PolarHBondContact OD1-ND2 3.17Å; E83-N86 PolarHBondContact O-N 3.23Å; L84-N86 VanDerWaalsContact C-N 3.27Å; N86-R88 PolarHBondContact O-N 2.73Å; N86-R88 VanDerWaalsContact O-N 3.15Å; N86-A90 HydrophobicContact CB-CB 3.43Å; N86-A90 VanDerWaalsContact CB-CB 3.43Å; N86-A90 VanDerWaalsContact CG-CB 3.45Å; N86-A90 WeakPolarHBondContact O-CA 3.17Å; N86-A90 VanDerWaalsContact O-CB 3.26Å; N86-A90 WeakPolarHBondContact O-CB 3.26Å; N86-A90 PolarHBondContact O-N 2.85Å |
| 87 | E | 46.1 | Very low | 50.4 | Low | 165 Ų | 165 | 75.2 Ų | 75.2 | 77% | 0.771 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.3 | -9.4 | 172.2 | -71.8 | -170.1 | 162.7 | 0 | 0 | 114 | E83 | E83-E87 WeakPolarHBondContact O-CG 3.45Å; E83-E87 PolarHBondContact O-N 3.48Å |
| 88 | R | 43.2 | Very low | 48.3 | Very low | 168 Ų | 168 | 74.9 Ų | 74.9 | 63% | 0.634 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -124.8 | -6.5 | 177.5 | -104.7 | -178 | 171.8 | -175.2 | -4.4 | 116.3 | N86 | N86-R88 PolarHBondContact O-N 2.73Å; N86-R88 VanDerWaalsContact O-N 3.15Å |
| 89 | S | 41 | Very low | 46.2 | Very low | 42 Ų | 42 | 76.2 Ų | 76.2 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -151.7 | 1.7 | 179.8 | -48.6 | 0 | 0 | 0 | 0 | 113.6 | L85 A93 S94 | L85-S89 CarbonylContact O-C 3.43Å; L85-S89 WeakPolarHBondContact O-CA 3.27Å; L85-S89 WeakPolarHBondContact O-CB 3.49Å; L85-S89 PolarHBondContact O-N 3.01Å; S89-A93 CarbonylContact O-C 3.57Å; S89-A93 VanDerWaalsContact O-CA 3.25Å; S89-A93 WeakPolarHBondContact O-CA 3.21Å; S89-A93 WeakPolarHBondContact O-CB 3.29Å; S89-A93 PolarHBondContact O-N 2.97Å; S89-S94 PolarHBondContact O-N 3.01Å |
| 90 | A | 40.8 | Very low | 44.5 | Very low | 21 Ų | 21 | 79.2 Ų | 79.2 | 17% | 0.174 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -13.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L85 N86 V92 S94 | L85-A90 PolarHBondContact O-N 3.34Å; N86-A90 HydrophobicContact CB-CB 3.43Å; N86-A90 VanDerWaalsContact CB-CB 3.43Å; N86-A90 VanDerWaalsContact CG-CB 3.45Å; N86-A90 WeakPolarHBondContact O-CA 3.17Å; N86-A90 VanDerWaalsContact O-CB 3.26Å; N86-A90 WeakPolarHBondContact O-CB 3.26Å; N86-A90 PolarHBondContact O-N 2.85Å; A90-V92 PolarHBondContact O-N 3.37Å; A90-S94 VanDerWaalsContact CA-CB 3.44Å |
| 91 | S | 42.2 | Very low | 42.8 | Very low | 59 Ų | 59 | 81.1 Ų | 81.1 | 41% | 0.413 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.7 | 160.4 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 92 | V | 43.2 | Very low | 41.4 | Very low | 21 Ų | 21 | 88 Ų | 88 | 13% | 0.127 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.1 | -64.5 | -166.2 | 166.7 | 0 | 0 | 0 | 0 | 112.6 | A90 L95 A96 E203 I207 | A90-V92 PolarHBondContact O-N 3.37Å; V92-L95 PolarHBondContact O-N 3.21Å; V92-A96 PolarHBondContact O-N 2.98Å; V92-E203 HydrophobicContact CB-CB 4.2Å; V92-E203 HydrophobicContact CG1-CB 3.72Å; V92-E203 HydrophobicContact CG1-CG 4.18Å; V92-E203 HydrophobicContact CG2-CB 3.42Å; V92-E203 VanDerWaalsContact CG2-CB 3.42Å; V92-E203 HydrophobicContact CG2-CG 4.17Å; V92-E203 WeakPolarHBondContact CG2-OE2 3.35Å; V92-I207 HydrophobicContact CG1-CD1 4.43Å |
| 93 | A | 41.7 | Very low | 40.5 | Very low | 40 Ų | 40 | 86.8 Ų | 86.8 | 33% | 0.331 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -37.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S89 L95 A96 L97 | S89-A93 CarbonylContact O-C 3.57Å; S89-A93 VanDerWaalsContact O-CA 3.25Å; S89-A93 WeakPolarHBondContact O-CA 3.21Å; S89-A93 WeakPolarHBondContact O-CB 3.29Å; S89-A93 PolarHBondContact O-N 2.97Å; A93-L95 PolarHBondContact O-N 3.45Å; A93-L95 VanDerWaalsContact O-N 3.12Å; A93-A96 PolarHBondContact O-N 3.35Å; A93-L97 WeakPolarHBondContact O-CB 3.29Å; A93-L97 PolarHBondContact O-N 3.48Å |
| 94 | S | 36.6 | Very low | 39.5 | Very low | 60 Ų | 60 | 86.6 Ų | 86.6 | 42% | 0.42 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -11.2 | 169.1 | -170.2 | 0 | 0 | 0 | 0 | 113.3 | S89 A90 | S89-S94 PolarHBondContact O-N 3.01Å; A90-S94 VanDerWaalsContact CA-CB 3.44Å |
| 95 | L | 42.6 | Very low | 38.9 | Very low | 55 Ų | 55 | 87.9 Ų | 87.9 | 29% | 0.288 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -0.1 | 174.6 | -100.8 | 165.5 | 0 | 0 | 0 | 112.7 | V92 A93 L118 | V92-L95 PolarHBondContact O-N 3.21Å; A93-L95 PolarHBondContact O-N 3.45Å; A93-L95 VanDerWaalsContact O-N 3.12Å; L95-L118 HydrophobicContact CB-CD1 3.88Å; L95-L118 HydrophobicContact CB-CD2 4.05Å; L95-L118 HydrophobicContact CB-CG 4.34Å; L95-L118 HydrophobicContact CD1-CD2 3.89Å; L95-L118 HydrophobicContact CD1-CG 4.44Å; L95-L118 HydrophobicContact CD2-CD1 4.06Å; L95-L118 HydrophobicContact CD2-CD2 4.45Å; L95-L118 HydrophobicContact CD2-CG 4.14Å; L95-L118 HydrophobicContact CG-CD1 4.45Å; L95-L118 HydrophobicContact CG-CD2 4.33Å; L95-L118 VanDerWaalsContact O-CD1 3.31Å; L95-L118 WeakPolarHBondContact O-CD1 3.23Å |
| 96 | A | 39.3 | Very low | 38.1 | Very low | 33 Ų | 33 | 90.9 Ų | 90.9 | 27% | 0.273 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | -31 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V92 A93 Y111 | V92-A96 PolarHBondContact O-N 2.98Å; A93-A96 PolarHBondContact O-N 3.35Å; A96-Y111 PolarHBondContact O-OH 3Å |
| 97 | L | 41.4 | Very low | 38.2 | Very low | 116 Ų | 116 | 96.1 Ų | 96.1 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -118.4 | 7.6 | -158.6 | -116.1 | 73.9 | 0 | 0 | 0 | 116.9 | P53 A93 | P53-L97 HydrophobicContact CB-CD2 4.34Å; P53-L97 HydrophobicContact CG-CD2 4.01Å; A93-L97 WeakPolarHBondContact O-CB 3.29Å; A93-L97 PolarHBondContact O-N 3.48Å |
| 98 | S | 37.5 | Very low | 37.9 | Very low | 76 Ų | 76 | 94.2 Ų | 94.2 | 53% | 0.531 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -91.8 | -44.3 | -170.5 | -67.6 | 0 | 0 | 0 | 0 | 115.6 | Y111 | S98-Y111 PolarHBondContact N-OH 2.92Š|
| 99 | D | 35.8 | Very low | 37.8 | Very low | 115 Ų | 115 | 91.7 Ų | 91.7 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -107 | 0.1 | -172.7 | -55 | -9.8 | 0 | 0 | 0 | 114 | G101 Y111 | D99-G101 PolarHBondContact O-N 3.5Å; D99-Y111 HydrophobicContact CB-CD1 4.45Å; D99-Y111 HydrophobicContact CB-CD2 3.6Å; D99-Y111 HydrophobicContact CB-CE1 4.26Å; D99-Y111 HydrophobicContact CB-CE2 3.38Å; D99-Y111 HydrophobicContact CB-CG 4.15Å; D99-Y111 VanDerWaalsContact CG-CE2 3.41Å; D99-Y111 PolarHBondContact N-OH 3.29Å; D99-Y111 VanDerWaalsContact N-OH 3.17Å; D99-Y111 WeakPolarHBondContact OD2-CD2 3.15Å; D99-Y111 WeakPolarHBondContact OD2-CE2 3.37Å |
| 100 | L | 35.8 | Very low | 38.2 | Very low | 155 Ų | 155 | 98 Ų | 98 | 81% | 0.812 | 58% | 0.582 | S | S | * | * | trans | -82.4 | 53.6 | 178.4 | -149.9 | 76.3 | 0 | 0 | 0 | 112.1 | ||||
| 101 | G | 29.9 | Very low | 38.3 | Very low | 60 Ų | 60 | 99.5 Ų | 99.5 | 62% | 0.619 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -162.3 | 64.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | D99 | D99-G101 PolarHBondContact O-N 3.5Š|
| 102 | Q | 31.4 | Very low | 38.7 | Very low | 194 Ų | 194 | 102.6 Ų | 102.6 | 91% | 0.907 | 60% | 0.596 | S | S | * | * | trans | 71.2 | 84.7 | 163.2 | -50.5 | 175.8 | 17.5 | 0 | 0 | 118.2 | ||||
| 103 | S | 31.2 | Very low | 39.5 | Very low | 106 Ų | 106 | 105.5 Ų | 105.5 | 74% | 0.741 | 62% | 0.617 | S | S | * | * | trans | -148.4 | 141.7 | 132.9 | 83 | 0 | 0 | 0 | 0 | 111.5 | T105 | S103-T105 PolarHBondContact O-N 3.23Š| ||
| 104 | T | 30.4 | Very low | 40.2 | Very low | 146 Ų | 146 | 105.2 Ų | 105.2 | 90% | 0.896 | 61% | 0.613 | S | S | * | * | trans | -95.9 | 90.1 | -176.3 | 52.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 105 | T | 36.3 | Very low | 41.1 | Very low | 120 Ų | 120 | 106.2 Ų | 106.2 | 74% | 0.736 | 61% | 0.608 | S | S | * | * | trans | -147.2 | 140.3 | 173.2 | 7.8 | 0 | 0 | 0 | 0 | 110.9 | S103 | S103-T105 PolarHBondContact O-N 3.23Š| ||
| 106 | S | 32.5 | Very low | 42.1 | Very low | 111 Ų | 111 | 106.2 Ų | 106.2 | 78% | 0.776 | 61% | 0.61 | S | S | * | * | trans | -103.9 | 96.5 | -170.4 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 107 | E | 43.2 | Very low | 43.7 | Very low | 156 Ų | 156 | 110 Ų | 110 | 73% | 0.729 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -139.5 | 155.9 | 163.2 | -73.9 | -62 | 162.7 | 0 | 0 | 107.8 | N109 | E107-N109 PolarHBondContact O-N 3.47Š|
| 108 | P | 40 | Very low | 44.8 | Very low | 125 Ų | 125 | 104.7 Ų | 104.7 | 81% | 0.812 | 59% | 0.592 | S | S | * | * | trans | -71 | 96.1 | -179.7 | 28.7 | -33.1 | 0 | 0 | 0 | 110.4 | ||||
| 109 | N | 40.5 | Very low | 46.3 | Very low | 115 Ų | 115 | 102.9 Ų | 102.9 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | trans | -67.8 | 138.1 | -165.2 | -88.4 | -26.6 | 0 | 0 | 0 | 114.6 | E107 Y111 D112 | E107-N109 PolarHBondContact O-N 3.47Å; N109-Y111 PolarHBondContact O-N 3.12Å; N109-D112 PolarHBondContact O-N 2.8Å | ||
| 110 | E | 50.1 | Low | 48.2 | Very low | 173 Ų | 173 | 107.4 Ų | 107.4 | 81% | 0.808 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -15.6 | 174.3 | -166.2 | 167.8 | -174.6 | 0 | 0 | 113.4 | D112 S113 | E110-D112 PolarHBondContact O-N 3.26Å; E110-S113 WeakPolarHBondContact O-CA 3.5Å; E110-S113 WeakPolarHBondContact O-CB 3.21Å; E110-S113 PolarHBondContact O-N 3.13Å |
| 111 | Y | 42.3 | Very low | 50.2 | Low | 54 Ų | 54 | 105 Ų | 105 | 21% | 0.212 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -67.8 | -26.4 | -178.4 | -147.7 | -112.8 | 0 | 0 | 0 | 114.4 | A96 S98 D99 N109 S113 S114 Y115 | A96-Y111 PolarHBondContact O-OH 3Å; S98-Y111 PolarHBondContact N-OH 2.92Å; D99-Y111 HydrophobicContact CB-CD1 4.45Å; D99-Y111 HydrophobicContact CB-CD2 3.6Å; D99-Y111 HydrophobicContact CB-CE1 4.26Å; D99-Y111 HydrophobicContact CB-CE2 3.38Å; D99-Y111 HydrophobicContact CB-CG 4.15Å; D99-Y111 VanDerWaalsContact CG-CE2 3.41Å; D99-Y111 PolarHBondContact N-OH 3.29Å; D99-Y111 VanDerWaalsContact N-OH 3.17Å; D99-Y111 WeakPolarHBondContact OD2-CD2 3.15Å; D99-Y111 WeakPolarHBondContact OD2-CE2 3.37Å; N109-Y111 PolarHBondContact O-N 3.12Å; Y111-S113 PolarHBondContact O-N 3.16Å; Y111-S114 PolarHBondContact O-OG 3.01Å; Y111-Y115 PolarHBondContact O-N 3.01Å |
| 112 | D | 51.2 | Low | 52.8 | Low | 124 Ų | 124 | 103.3 Ų | 103.3 | 66% | 0.663 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.1 | -32.5 | 168 | -96.7 | -20.2 | 0 | 0 | 0 | 111 | N109 E110 V116 | N109-D112 PolarHBondContact O-N 2.8Å; E110-D112 PolarHBondContact O-N 3.26Å; D112-V116 WeakPolarHBondContact O-CB 3.23Å; D112-V116 WeakPolarHBondContact O-CG2 3.42Å; D112-V116 PolarHBondContact O-N 3.4Å |
| 113 | S | 59.3 | Low | 55.4 | Low | 81 Ų | 81 | 98 Ų | 98 | 57% | 0.566 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.8 | -39.5 | -175.3 | -161.9 | 0 | 0 | 0 | 0 | 112.4 | E110 Y111 K117 | E110-S113 WeakPolarHBondContact O-CA 3.5Å; E110-S113 WeakPolarHBondContact O-CB 3.21Å; E110-S113 PolarHBondContact O-N 3.13Å; Y111-S113 PolarHBondContact O-N 3.16Å; S113-K117 WeakPolarHBondContact O-CB 3.43Å; S113-K117 PolarHBondContact O-N 2.93Å |
| 114 | S | 57 | Low | 58.1 | Low | 34 Ų | 34 | 98.4 Ų | 98.4 | 24% | 0.238 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -70.1 | -43 | 177.2 | 56 | 0 | 0 | 0 | 0 | 111.8 | Y111 K117 L118 | Y111-S114 PolarHBondContact O-OG 3.01Å; S114-K117 WeakPolarHBondContact O-CB 3.08Å; S114-K117 PolarHBondContact O-N 3.35Å; S114-L118 PolarHBondContact O-N 2.83Å |
| 115 | Y | 55.3 | Low | 60.9 | Low | 81 Ų | 81 | 95.7 Ų | 95.7 | 32% | 0.318 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.1 | -48 | 179.3 | -166.8 | -111.2 | 0 | 0 | 0 | 112.3 | Y111 K117 L118 L119 I207 T211 | Y111-Y115 PolarHBondContact O-N 3.01Å; Y115-K117 PolarHBondContact O-N 3.5Å; Y115-L118 HydrophobicContact CD2-CD1 4.37Å; Y115-L118 WeakPolarHBondContact O-CB 3.22Å; Y115-L118 PolarHBondContact O-N 2.84Å; Y115-L119 HydrophobicContact CD1-CD1 3.9Å; Y115-L119 HydrophobicContact CE1-CD1 3.82Å; Y115-L119 WeakPolarHBondContact O-CG 3.4Å; Y115-L119 PolarHBondContact O-N 2.93Å; Y115-L119 VanDerWaalsContact O-N 3.14Å; Y115-I207 HydrophobicContact CE2-CG2 3.99Å; Y115-T211 HydrophobicContact CE1-CG2 3.95Å; Y115-T211 PolarHBondContact OH-OG1 3.25Å |
| 116 | V | 64.3 | Low | 63.2 | Low | 55 Ų | 55 | 91.7 Ų | 91.7 | 33% | 0.333 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -27.8 | 174 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | D112 R120 | D112-V116 WeakPolarHBondContact O-CB 3.23Å; D112-V116 WeakPolarHBondContact O-CG2 3.42Å; D112-V116 PolarHBondContact O-N 3.4Å; V116-R120 HydrophobicContact CG1-CG 4.47Å; V116-R120 WeakPolarHBondContact O-CB 3.17Å; V116-R120 WeakPolarHBondContact O-CG 3.31Å; V116-R120 PolarHBondContact O-N 3.34Å |
| 117 | K | 73.2 | Confident | 65.9 | Low | 112 Ų | 112 | 87.5 Ų | 87.5 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.1 | -42.2 | 173.4 | -177.8 | 173.8 | 174 | -66.3 | 0 | 112.6 | S113 S114 Y115 L119 R120 E121 | S113-K117 WeakPolarHBondContact O-CB 3.43Å; S113-K117 PolarHBondContact O-N 2.93Å; S114-K117 WeakPolarHBondContact O-CB 3.08Å; S114-K117 PolarHBondContact O-N 3.35Å; Y115-K117 PolarHBondContact O-N 3.5Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.34Å; K117-R120 PolarHBondContact O-N 3.49Å; K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 IonicContact NZ-OE1 3.95Å; K117-E121 PolarHBondContact NZ-OE1 2.78Å; K117-E121 IonicContact NZ-OE2 2.58Å; K117-E121 PolarHBondContact NZ-OE2 3.09Å; K117-E121 WeakPolarHBondContact O-CB 3.28Å; K117-E121 WeakPolarHBondContact O-CG 3.15Å; K117-E121 PolarHBondContact O-N 3.25Å |
| 118 | L | 64.6 | Low | 68.1 | Low | 5 Ų | 5 | 83.8 Ų | 83.8 | 3% | 0.026 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -54.9 | -50.5 | 170.4 | -73.5 | 155.1 | 0 | 0 | 0 | 111.2 | L95 S114 Y115 R120 E121 F122 L204 | L95-L118 HydrophobicContact CB-CD1 3.88Å; L95-L118 HydrophobicContact CB-CD2 4.05Å; L95-L118 HydrophobicContact CB-CG 4.34Å; L95-L118 HydrophobicContact CD1-CD2 3.89Å; L95-L118 HydrophobicContact CD1-CG 4.44Å; L95-L118 HydrophobicContact CD2-CD1 4.06Å; L95-L118 HydrophobicContact CD2-CD2 4.45Å; L95-L118 HydrophobicContact CD2-CG 4.14Å; L95-L118 HydrophobicContact CG-CD1 4.45Å; L95-L118 HydrophobicContact CG-CD2 4.33Å; L95-L118 VanDerWaalsContact O-CD1 3.31Å; L95-L118 WeakPolarHBondContact O-CD1 3.23Å; S114-L118 PolarHBondContact O-N 2.83Å; Y115-L118 HydrophobicContact CD2-CD1 4.37Å; Y115-L118 WeakPolarHBondContact O-CB 3.22Å; Y115-L118 PolarHBondContact O-N 2.84Å; L118-R120 PolarHBondContact O-N 3.45Å; L118-E121 CarbonylContact O-C 3.56Å; L118-E121 WeakPolarHBondContact O-CA 3.21Å; L118-E121 PolarHBondContact O-N 3.15Å; L118-F122 PolarHBondContact O-N 3.12Å; L118-L204 HydrophobicContact CB-CD1 3.97Å; L118-L204 HydrophobicContact CD2-CD1 3.58Å; L118-L204 HydrophobicContact CG-CD1 4.43Å |
| 119 | L | 68.1 | Low | 70.4 | Confident | 39 Ų | 39 | 85.4 Ų | 85.4 | 20% | 0.204 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.7 | -29.3 | -177.6 | -64.1 | 170.6 | 0 | 0 | 0 | 112.4 | Y115 K117 F208 T211 | Y115-L119 HydrophobicContact CD1-CD1 3.9Å; Y115-L119 HydrophobicContact CE1-CD1 3.82Å; Y115-L119 WeakPolarHBondContact O-CG 3.4Å; Y115-L119 PolarHBondContact O-N 2.93Å; Y115-L119 VanDerWaalsContact O-N 3.14Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.34Å; L119-F208 HydrophobicContact CD2-CB 4.24Å; L119-F208 HydrophobicContact CD2-CD2 3.9Å; L119-F208 HydrophobicContact CD2-CG 4.49Å; L119-T211 HydrophobicContact CD1-CG2 4Å; L119-T211 HydrophobicContact CD2-CG2 4.4Å |
| 120 | R | 76.3 | Confident | 72.6 | Confident | 209 Ų | 209 | 81 Ų | 81 | 79% | 0.789 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -80.6 | -22.7 | 171.5 | -72.1 | 172.5 | -177.6 | -172.2 | 4.6 | 114.1 | V116 K117 L118 | V116-R120 HydrophobicContact CG1-CG 4.47Å; V116-R120 WeakPolarHBondContact O-CB 3.17Å; V116-R120 WeakPolarHBondContact O-CG 3.31Å; V116-R120 PolarHBondContact O-N 3.34Å; K117-R120 PolarHBondContact O-N 3.49Å; L118-R120 PolarHBondContact O-N 3.45Å |
| 121 | E | 76.7 | Confident | 74.4 | Confident | 104 Ų | 104 | 76 Ų | 76 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -84.8 | -10.3 | 174.9 | -75.8 | 176.3 | -178.2 | 0 | 0 | 112.6 | K117 L118 D123 | K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 IonicContact NZ-OE1 3.95Å; K117-E121 PolarHBondContact NZ-OE1 2.78Å; K117-E121 IonicContact NZ-OE2 2.58Å; K117-E121 PolarHBondContact NZ-OE2 3.09Å; K117-E121 WeakPolarHBondContact O-CB 3.28Å; K117-E121 WeakPolarHBondContact O-CG 3.15Å; K117-E121 PolarHBondContact O-N 3.25Å; L118-E121 CarbonylContact O-C 3.56Å; L118-E121 WeakPolarHBondContact O-CA 3.21Å; L118-E121 PolarHBondContact O-N 3.15Å; E121-D123 PolarHBondContact O-N 2.88Å |
| 122 | F | 84.4 | Confident | 76.6 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 11% | 0.11 | 40% | 0.401 | C | S | . | . | trans | -72.8 | 95.9 | 175.6 | -178.8 | -113.7 | 0 | 0 | 0 | 113 | L118 K124 L127 L204 A205 F208 Y209 | L118-F122 PolarHBondContact O-N 3.12Å; F122-K124 HydrophobicContact CE1-CB 4.08Å; F122-K124 HydrophobicContact CZ-CB 4.25Å; F122-L127 HydrophobicContact CE2-CB 4.4Å; F122-L127 HydrophobicContact CE2-CD2 4.12Å; F122-L127 HydrophobicContact CZ-CD2 4.08Å; F122-L204 HydrophobicContact CB-CD2 4.22Å; F122-L204 HydrophobicContact CB-CG 4.15Å; F122-L204 HydrophobicContact CD2-CD2 4.33Å; F122-L204 HydrophobicContact CD2-CG 4.07Å; F122-A205 HydrophobicContact CD2-CB 4.42Å; F122-A205 HydrophobicContact CE2-CB 3.54Å; F122-A205 HydrophobicContact CZ-CB 3.97Å; F122-F208 HydrophobicContact CB-CB 4.33Å; F122-F208 HydrophobicContact CB-CD2 4.1Å; F122-F208 HydrophobicContact CB-CG 4.36Å; F122-F208 HydrophobicContact CD1-CB 3.81Å; F122-F208 AromaticContact CD1-CD1 3.54Å; F122-F208 HydrophobicContact CD1-CD1 3.54Å; F122-F208 AromaticContact CD1-CD2 3.46Å; F122-F208 HydrophobicContact CD1-CD2 3.46Å; F122-F208 VanDerWaalsContact CD1-CD2 3.46Å; F122-F208 AromaticContact CD1-CE1 3.94Å; F122-F208 HydrophobicContact CD1-CE1 3.94Å; F122-F208 AromaticContact CD1-CE2 3.87Å; F122-F208 HydrophobicContact CD1-CE2 3.87Å; F122-F208 AromaticContact CD1-CG 3.28Å; F122-F208 HydrophobicContact CD1-CG 3.28Å; F122-F208 HydrophobicContact CD1-CZ 4.1Å; F122-F208 HydrophobicContact CD2-CB 4.42Å; F122-F208 HydrophobicContact CE1-CB 4.23Å; F122-F208 AromaticContact CE1-CD1 3.43Å; F122-F208 HydrophobicContact CE1-CD1 3.43Å; F122-F208 VanDerWaalsContact CE1-CD1 3.43Å; F122-F208 HydrophobicContact CE1-CD2 4.24Å; F122-F208 AromaticContact CE1-CE1 3.79Å; F122-F208 HydrophobicContact CE1-CE1 3.79Å; F122-F208 AromaticContact CE1-CG 3.7Å; F122-F208 HydrophobicContact CE1-CG 3.7Å; F122-F208 HydrophobicContact CE1-CZ 4.33Å; F122-F208 HydrophobicContact CG-CB 3.9Å; F122-F208 HydrophobicContact CG-CD1 4.47Å; F122-F208 HydrophobicContact CG-CD2 4.04Å; F122-F208 AromaticContact CG-CG 3.88Å; F122-F208 HydrophobicContact CG-CG 3.88Å; F122-F208 HydrophobicContact CZ-CD1 4.32Å; F122-Y209 HydrophobicContact CZ-CE2 4.15Å | ||
| 123 | D | 85.9 | Confident | 78 | Confident | 84 Ų | 84 | 78.8 Ų | 78.8 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | trans | -92.8 | 101.4 | 172.1 | 179.5 | 11.2 | 0 | 0 | 0 | 111.5 | E121 P125 A126 L127 | E121-D123 PolarHBondContact O-N 2.88Å; D123-P125 VanDerWaalsContact OD1-CB 3.22Å; D123-P125 WeakPolarHBondContact OD1-CB 3.25Å; D123-P125 WeakPolarHBondContact OD1-CD 3.26Å; D123-P125 VanDerWaalsContact OD1-CG 3.26Å; D123-P125 WeakPolarHBondContact OD1-CG 3.49Å; D123-A126 HydrophobicContact CB-CB 3.75Å; D123-A126 WeakPolarHBondContact O-CA 3.25Å; D123-A126 WeakPolarHBondContact O-CB 3.25Å; D123-A126 PolarHBondContact O-N 3.01Å; D123-A126 PolarHBondContact OD1-N 3.1Å; D123-A126 VanDerWaalsContact OD2-CB 3.3Å; D123-A126 WeakPolarHBondContact OD2-CB 3.47Å; D123-A126 PolarHBondContact OD2-N 3.45Å; D123-L127 PolarHBondContact O-N 2.81Å | ||
| 124 | K | 88 | Confident | 79.2 | Confident | 114 Ų | 114 | 79.7 Ų | 79.7 | 50% | 0.496 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.3 | -46.5 | 175.8 | 177.8 | 177.8 | -178.3 | 179.9 | 0 | 112.6 | F122 A126 L127 I128 | F122-K124 HydrophobicContact CE1-CB 4.08Å; F122-K124 HydrophobicContact CZ-CB 4.25Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.3Å; K124-L127 PolarHBondContact O-N 2.91Å; K124-I128 HydrophobicContact CG-CD1 4Å; K124-I128 WeakPolarHBondContact O-CG1 3.27Å; K124-I128 PolarHBondContact O-N 2.9Å |
| 125 | P | 89.2 | Confident | 80.4 | Confident | 89 Ų | 89 | 81 Ų | 81 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -48.6 | -43 | 164.4 | -29.9 | 28.9 | 0 | 0 | 0 | 115.8 | D123 I128 K129 | D123-P125 VanDerWaalsContact OD1-CB 3.22Å; D123-P125 WeakPolarHBondContact OD1-CB 3.25Å; D123-P125 WeakPolarHBondContact OD1-CD 3.26Å; D123-P125 VanDerWaalsContact OD1-CG 3.26Å; D123-P125 WeakPolarHBondContact OD1-CG 3.49Å; P125-I128 PolarHBondContact O-N 2.82Å; P125-K129 VanDerWaalsContact O-CB 3.32Å; P125-K129 WeakPolarHBondContact O-CB 3.37Å; P125-K129 PolarHBondContact O-N 3.33Å |
| 126 | A | 84.8 | Confident | 81.3 | Confident | 36 Ų | 36 | 83.2 Ų | 83.2 | 30% | 0.298 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D123 K124 K129 A130 | D123-A126 HydrophobicContact CB-CB 3.75Å; D123-A126 WeakPolarHBondContact O-CA 3.25Å; D123-A126 WeakPolarHBondContact O-CB 3.25Å; D123-A126 PolarHBondContact O-N 3.01Å; D123-A126 PolarHBondContact OD1-N 3.1Å; D123-A126 VanDerWaalsContact OD2-CB 3.3Å; D123-A126 WeakPolarHBondContact OD2-CB 3.47Å; D123-A126 PolarHBondContact OD2-N 3.45Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.3Å; A126-K129 PolarHBondContact O-N 3.09Å; A126-A130 WeakPolarHBondContact O-CB 3.38Å; A126-A130 PolarHBondContact O-N 2.76Å |
| 127 | L | 89.7 | Confident | 81.5 | Confident | 23 Ų | 23 | 81.7 Ų | 81.7 | 12% | 0.12 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.7 | -51 | 172.5 | 174.8 | 67.5 | 0 | 0 | 0 | 111 | F122 D123 K124 K129 A130 V131 C201 L202 A205 | F122-L127 HydrophobicContact CE2-CB 4.4Å; F122-L127 HydrophobicContact CE2-CD2 4.12Å; F122-L127 HydrophobicContact CZ-CD2 4.08Å; D123-L127 PolarHBondContact O-N 2.81Å; K124-L127 PolarHBondContact O-N 2.91Å; L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.04Å; L127-A130 PolarHBondContact O-N 3.3Å; L127-A130 VanDerWaalsContact O-N 3.14Å; L127-V131 HydrophobicContact CD1-CG2 4.22Å; L127-V131 WeakPolarHBondContact O-CG2 3.29Å; L127-V131 PolarHBondContact O-N 3.2Å; L127-C201 HydrophobicContact CD1-CB 3.86Å; L127-L202 HydrophobicContact CD1-CD2 3.96Å; L127-L202 HydrophobicContact CD1-CG 4.24Å; L127-A205 HydrophobicContact CD2-CB 3.76Å |
| 128 | I | 90 | Very high | 81.2 | Confident | 78 Ų | 78 | 82.6 Ų | 82.6 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 178.6 | -68.1 | 165.9 | 0 | 0 | 0 | 110.8 | K124 P125 R132 | K124-I128 HydrophobicContact CG-CD1 4Å; K124-I128 WeakPolarHBondContact O-CG1 3.27Å; K124-I128 PolarHBondContact O-N 2.9Å; P125-I128 PolarHBondContact O-N 2.82Å; I128-R132 HydrophobicContact CG2-CG 4.47Å; I128-R132 WeakPolarHBondContact O-CB 3.24Å; I128-R132 VanDerWaalsContact O-CG 3.29Å; I128-R132 WeakPolarHBondContact O-CG 3.45Å; I128-R132 PolarHBondContact O-N 2.8Å |
| 129 | K | 88.3 | Confident | 81 | Confident | 159 Ų | 159 | 87.5 Ų | 87.5 | 69% | 0.691 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.9 | -40.2 | 176.9 | -173.7 | 177.4 | -179.7 | 179.5 | 0 | 112.6 | P125 A126 L127 Y133 | P125-K129 VanDerWaalsContact O-CB 3.32Å; P125-K129 WeakPolarHBondContact O-CB 3.37Å; P125-K129 PolarHBondContact O-N 3.33Å; A126-K129 PolarHBondContact O-N 3.09Å; L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.04Å; K129-Y133 WeakPolarHBondContact O-CB 3.16Å; K129-Y133 PolarHBondContact O-N 3.27Å |
| 130 | A | 85.2 | Confident | 80.6 | Confident | 22 Ų | 22 | 89.3 Ų | 89.3 | 18% | 0.182 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A126 L127 Y134 L198 | A126-A130 WeakPolarHBondContact O-CB 3.38Å; A126-A130 PolarHBondContact O-N 2.76Å; L127-A130 PolarHBondContact O-N 3.3Å; L127-A130 VanDerWaalsContact O-N 3.14Å; A130-Y134 PolarHBondContact O-N 2.9Å; A130-Y134 VanDerWaalsContact O-N 3.1Å; A130-L198 HydrophobicContact CB-CD1 3.93Å |
| 131 | V | 89.1 | Confident | 79.9 | Confident | 67 Ų | 67 | 81.2 Ų | 81.2 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L127 Y134 A135 L198 | L127-V131 HydrophobicContact CD1-CG2 4.22Å; L127-V131 WeakPolarHBondContact O-CG2 3.29Å; L127-V131 PolarHBondContact O-N 3.2Å; V131-Y134 PolarHBondContact O-N 3.02Å; V131-A135 WeakPolarHBondContact O-CB 3.47Å; V131-A135 PolarHBondContact O-N 3.04Å; V131-L198 HydrophobicContact CG2-CD1 3.75Å |
| 132 | R | 87.3 | Confident | 79.2 | Confident | 156 Ų | 156 | 82.8 Ų | 82.8 | 59% | 0.589 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.4 | -48 | 176.3 | -79.4 | 177 | 179.8 | -122.9 | 2.4 | 112.4 | I128 Y134 A135 E136 | I128-R132 HydrophobicContact CG2-CG 4.47Å; I128-R132 WeakPolarHBondContact O-CB 3.24Å; I128-R132 VanDerWaalsContact O-CG 3.29Å; I128-R132 WeakPolarHBondContact O-CG 3.45Å; I128-R132 PolarHBondContact O-N 2.8Å; R132-Y134 VanDerWaalsContact C-N 3.31Å; R132-Y134 PolarHBondContact O-N 2.61Å; R132-A135 PolarHBondContact O-N 3.33Å; R132-A135 VanDerWaalsContact O-N 3.12Å; R132-E136 WeakPolarHBondContact O-CB 3.29Å; R132-E136 WeakPolarHBondContact O-CG 3.28Å; R132-E136 PolarHBondContact O-N 3.02Å |
| 133 | Y | 82.4 | Confident | 78.1 | Confident | 82 Ų | 82 | 83.2 Ų | 83.2 | 32% | 0.322 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -54.4 | -48.2 | 176.3 | -178.6 | -84.9 | 0 | 0 | 0 | 111 | K129 A135 D137 H194 | K129-Y133 WeakPolarHBondContact O-CB 3.16Å; K129-Y133 PolarHBondContact O-N 3.27Å; Y133-A135 PolarHBondContact O-N 3.12Å; Y133-D137 WeakPolarHBondContact CE1-OD2 3.49Å; Y133-D137 WeakPolarHBondContact O-CB 3.25Å; Y133-D137 PolarHBondContact O-N 3.14Å; Y133-H194 HydrophobicContact CD1-CB 4.21Å; Y133-H194 AromaticContact CD1-ND1 3.43Å; Y133-H194 WeakPolarHBondContact CD1-ND1 3.37Å; Y133-H194 HydrophobicContact CE1-CB 3.69Å; Y133-H194 AromaticContact CE1-CE1 3.84Å; Y133-H194 AromaticContact CE1-CG 3.45Å; Y133-H194 VanDerWaalsContact CE1-CG 3.45Å; Y133-H194 AromaticContact CE1-ND1 2.97Å; Y133-H194 WeakPolarHBondContact CE1-ND1 3.35Å; Y133-H194 AromaticContact CE2-ND1 3.88Å; Y133-H194 AromaticContact CZ-CE1 3.61Å; Y133-H194 AromaticContact CZ-CG 3.89Å; Y133-H194 AromaticContact CZ-ND1 3.23Å |
| 134 | Y | 82.6 | Confident | 76.7 | Confident | 99 Ų | 99 | 84.6 Ų | 84.6 | 39% | 0.388 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 177.9 | -179.7 | -115.8 | 0 | 0 | 0 | 113.7 | A130 V131 R132 K138 L195 L198 | A130-Y134 PolarHBondContact O-N 2.9Å; A130-Y134 VanDerWaalsContact O-N 3.1Å; V131-Y134 PolarHBondContact O-N 3.02Å; R132-Y134 VanDerWaalsContact C-N 3.31Å; R132-Y134 PolarHBondContact O-N 2.61Å; Y134-K138 PolarHBondContact O-N 2.93Å; Y134-L195 HydrophobicContact CD2-CD2 3.89Å; Y134-L195 HydrophobicContact CE2-CD2 3.57Å; Y134-L195 HydrophobicContact CE2-CG 4.46Å; Y134-L198 HydrophobicContact CD1-CD2 3.81Å; Y134-L198 HydrophobicContact CG-CD2 3.77Å |
| 135 | A | 82.5 | Confident | 75.2 | Confident | 62 Ų | 62 | 87.3 Ų | 87.3 | 51% | 0.512 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.9 | -47.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | V131 R132 Y133 K138 | V131-A135 WeakPolarHBondContact O-CB 3.47Å; V131-A135 PolarHBondContact O-N 3.04Å; R132-A135 PolarHBondContact O-N 3.33Å; R132-A135 VanDerWaalsContact O-N 3.12Å; Y133-A135 PolarHBondContact O-N 3.12Å; A135-K138 WeakPolarHBondContact O-CB 3.27Å |
| 136 | E | 74.6 | Confident | 73.7 | Confident | 127 Ų | 127 | 85.4 Ų | 85.4 | 59% | 0.593 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 178.2 | -69.6 | 164.7 | -157.9 | 0 | 0 | 110.6 | R132 K138 T139 | R132-E136 WeakPolarHBondContact O-CB 3.29Å; R132-E136 WeakPolarHBondContact O-CG 3.28Å; R132-E136 PolarHBondContact O-N 3.02Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 3.38Å; E136-T139 PolarHBondContact O-N 2.99Å; E136-T139 PolarHBondContact O-OG1 2.75Å |
| 137 | D | 68.6 | Low | 72.4 | Confident | 23 Ų | 23 | 86.3 Ų | 86.3 | 12% | 0.123 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -76.9 | -15.1 | -172.2 | -157.6 | 18.5 | 0 | 0 | 0 | 113 | Y133 T139 V140 W141 | Y133-D137 WeakPolarHBondContact CE1-OD2 3.49Å; Y133-D137 WeakPolarHBondContact O-CB 3.25Å; Y133-D137 PolarHBondContact O-N 3.14Å; D137-T139 PolarHBondContact O-N 3.02Å; D137-V140 PolarHBondContact O-N 2.89Å; D137-V140 WeakPolarHBondContact OD1-CB 3.46Å; D137-W141 VanDerWaalsContact C-CD1 3.43Å; D137-W141 PolarHBondContact O-N 3.15Å; D137-W141 WeakPolarHBondContact OD2-CZ2 3.44Å; D137-W141 PolarHBondContact OD2-NE1 2.92Å |
| 138 | K | 67.3 | Low | 70.9 | Confident | 132 Ų | 132 | 88.2 Ų | 88.2 | 57% | 0.574 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -51.3 | -31.4 | 171.3 | -171.4 | 178.4 | 179.2 | -177.1 | 0 | 112.3 | Y134 A135 E136 L142 | Y134-K138 PolarHBondContact O-N 2.93Å; A135-K138 WeakPolarHBondContact O-CB 3.27Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 3.38Å; K138-L142 WeakPolarHBondContact O-CG 3.29Å |
| 139 | T | 61.1 | Low | 69.5 | Low | 108 Ų | 108 | 94.3 Ų | 94.3 | 66% | 0.663 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.8 | -33.9 | 176.3 | 64 | 0 | 0 | 0 | 0 | 113.6 | E136 D137 | E136-T139 PolarHBondContact O-N 2.99Å; E136-T139 PolarHBondContact O-OG1 2.75Å; D137-T139 PolarHBondContact O-N 3.02Å |
| 140 | V | 59.6 | Low | 68.1 | Low | 76 Ų | 76 | 89 Ų | 89 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -81 | -38.9 | 179.9 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | D137 L142 S143 N146 | D137-V140 PolarHBondContact O-N 2.89Å; D137-V140 WeakPolarHBondContact OD1-CB 3.46Å; V140-L142 PolarHBondContact O-N 3.24Å; V140-S143 WeakPolarHBondContact O-CB 3.25Å; V140-S143 PolarHBondContact O-N 3.38Å; V140-N146 PolarHBondContact O-ND2 3.2Å |
| 141 | W | 61.6 | Low | 66.9 | Low | 40 Ų | 40 | 93.4 Ų | 93.4 | 15% | 0.152 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.6 | -27.9 | 176.3 | -68 | 124.8 | 0 | 0 | 0 | 114 | D137 A187 K191 | D137-W141 VanDerWaalsContact C-CD1 3.43Å; D137-W141 PolarHBondContact O-N 3.15Å; D137-W141 WeakPolarHBondContact OD2-CZ2 3.44Å; D137-W141 PolarHBondContact OD2-NE1 2.92Å; W141-A187 WeakPolarHBondContact CH2-O 3.35Å; W141-A187 HydrophobicContact CZ3-CB 3.95Å; W141-A187 WeakPolarHBondContact CZ3-O 3.4Å; W141-K191 HydrophobicContact CB-CD 4.5Å; W141-K191 HydrophobicContact CD2-CB 4.15Å; W141-K191 HydrophobicContact CD2-CD 3.53Å; W141-K191 HydrophobicContact CD2-CG 3.82Å; W141-K191 HydrophobicContact CE3-CB 4.08Å; W141-K191 HydrophobicContact CE3-CD 3.83Å; W141-K191 HydrophobicContact CE3-CG 4.2Å; W141-K191 HydrophobicContact CG-CD 3.8Å; W141-K191 HydrophobicContact CG-CG 4.37Å; W141-K191 HydrophobicContact CH2-CB 3.59Å; W141-K191 HydrophobicContact CH2-CG 4.26Å; W141-K191 HydrophobicContact CZ2-CB 3.6Å; W141-K191 HydrophobicContact CZ2-CD 4.45Å; W141-K191 HydrophobicContact CZ2-CG 3.82Å; W141-K191 HydrophobicContact CZ3-CB 3.81Å; W141-K191 HydrophobicContact CZ3-CD 4.43Å; W141-K191 HydrophobicContact CZ3-CG 4.41Å |
| 142 | L | 61.5 | Low | 65.7 | Low | 136 Ų | 136 | 92.6 Ų | 92.6 | 71% | 0.712 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.1 | 175.8 | -65.3 | 173.4 | 0 | 0 | 0 | 113.2 | K138 V140 | K138-L142 WeakPolarHBondContact O-CG 3.29Å; V140-L142 PolarHBondContact O-N 3.24Å |
| 143 | S | 60.7 | Low | 65.1 | Low | 35 Ų | 35 | 92 Ų | 92 | 25% | 0.245 | 48% | 0.484 | C | S | . | . | trans | -65.3 | 130.5 | -178 | -168 | 0 | 0 | 0 | 0 | 111.8 | V140 K145 N146 | V140-S143 WeakPolarHBondContact O-CB 3.25Å; V140-S143 PolarHBondContact O-N 3.38Å; S143-K145 PolarHBondContact O-N 3.36Å; S143-N146 PolarHBondContact O-N 3.38Å | ||
| 144 | P | 56.9 | Low | 65 | Low | 113 Ų | 113 | 95.5 Ų | 95.5 | 73% | 0.734 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -8.1 | 175.8 | -27.2 | 35.8 | 0 | 0 | 0 | 115.6 | N146 | P144-N146 VanDerWaalsContact C-N 3.27Š|
| 145 | K | 57 | Low | 64.9 | Low | 170 Ų | 170 | 95.3 Ų | 95.3 | 74% | 0.739 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29 | 169.6 | -65.8 | 179.8 | -179.2 | 175.4 | 0 | 112.8 | S143 | S143-K145 PolarHBondContact O-N 3.36Š|
| 146 | N | 56 | Low | 64.7 | Low | 49 Ų | 49 | 96.7 Ų | 96.7 | 26% | 0.262 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -94.6 | -4.3 | -178.7 | -58.9 | -17.9 | 0 | 0 | 0 | 112.3 | V140 S143 P144 P148 A184 | V140-N146 PolarHBondContact O-ND2 3.2Å; S143-N146 PolarHBondContact O-N 3.38Å; P144-N146 VanDerWaalsContact C-N 3.27Å; N146-P148 WeakPolarHBondContact O-CD 3.45Å; N146-A184 HydrophobicContact CB-CB 4.36Å; N146-A184 WeakPolarHBondContact O-CB 3.48Å |
| 147 | D | 58.8 | Low | 64.9 | Low | 55 Ų | 55 | 93.2 Ų | 93.2 | 29% | 0.294 | 49% | 0.487 | S | S | . | . | trans | -82.4 | 119.1 | 176.5 | -170.1 | -35.4 | 0 | 0 | 0 | 109.5 | R149 | D147-R149 PolarHBondContact O-N 2.99Å; D147-R149 WeakPolarHBondContact OD1-CB 3.2Å; D147-R149 VanDerWaalsContact OD1-CG 3.22Å; D147-R149 WeakPolarHBondContact OD1-CG 3.41Å; D147-R149 PolarHBondContact OD1-N 2.91Å; D147-R149 IonicContact OD1-NE 2.89Å; D147-R149 PolarHBondContact OD1-NE 2.78Å; D147-R149 IonicContact OD2-CZ 3.24Å; D147-R149 IonicContact OD2-NE 2.66Å; D147-R149 PolarHBondContact OD2-NE 3.48Å; D147-R149 IonicContact OD2-NH2 3.02Å; D147-R149 PolarHBondContact OD2-NH2 2.75Å | ||
| 148 | P | 58.3 | Low | 65.6 | Low | 64 Ų | 64 | 96.5 Ų | 96.5 | 42% | 0.416 | 51% | 0.505 | S | S | . | . | trans | -74.7 | 11.9 | -178.5 | 32.1 | -36.3 | 0 | 0 | 0 | 114.4 | N146 G150 Y181 | N146-P148 WeakPolarHBondContact O-CD 3.45Å; P148-G150 PolarHBondContact O-N 3.15Å; P148-Y181 HydrophobicContact CB-CD2 4.02Å | ||
| 149 | R | 59.7 | Low | 66.5 | Low | 205 Ų | 205 | 96 Ų | 96 | 77% | 0.774 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 119.5 | 166.1 | -85.7 | 177.3 | -122.3 | -122.8 | 1.2 | 111.2 | D147 | D147-R149 PolarHBondContact O-N 2.99Å; D147-R149 WeakPolarHBondContact OD1-CB 3.2Å; D147-R149 VanDerWaalsContact OD1-CG 3.22Å; D147-R149 WeakPolarHBondContact OD1-CG 3.41Å; D147-R149 PolarHBondContact OD1-N 2.91Å; D147-R149 IonicContact OD1-NE 2.89Å; D147-R149 PolarHBondContact OD1-NE 2.78Å; D147-R149 IonicContact OD2-CZ 3.24Å; D147-R149 IonicContact OD2-NE 2.66Å; D147-R149 PolarHBondContact OD2-NE 3.48Å; D147-R149 IonicContact OD2-NH2 3.02Å; D147-R149 PolarHBondContact OD2-NH2 2.75Å |
| 150 | G | 59 | Low | 67.4 | Low | 49 Ų | 49 | 91 Ų | 91 | 51% | 0.505 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 144.5 | -5.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P148 I152 | P148-G150 PolarHBondContact O-N 3.15Å; G150-I152 PolarHBondContact O-N 2.91Å |
| 151 | C | 59.9 | Low | 68.6 | Low | 113 Ų | 113 | 93.5 Ų | 93.5 | 76% | 0.764 | 48% | 0.48 | S | S | * | . | trans | -62.1 | 105.9 | 170.7 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | E153 | C151-E153 PolarHBondContact O-N 3.35Š| ||
| 152 | I | 65.2 | Low | 69.8 | Low | 51 Ų | 51 | 102.6 Ų | 102.6 | 26% | 0.262 | 52% | 0.515 | S | S | . | . | trans | -65.2 | 129.9 | 174.2 | -61.1 | 176.1 | 0 | 0 | 0 | 108.7 | G150 E156 L157 T170 D173 V174 | G150-I152 PolarHBondContact O-N 2.91Å; I152-E156 HydrophobicContact CG2-CB 3.73Å; I152-L157 HydrophobicContact CG2-CB 4.29Å; I152-T170 HydrophobicContact CD1-CG2 3.81Å; I152-D173 HydrophobicContact CD1-CB 4.21Å; I152-V174 HydrophobicContact CD1-CG2 4.26Å | ||
| 153 | E | 74.8 | Confident | 71.1 | Confident | 143 Ų | 143 | 99.9 Ų | 99.9 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | trans | -58.3 | 144 | -179.8 | -67.9 | -169.8 | 165.8 | 0 | 0 | 111.5 | C151 D155 E156 L157 | C151-E153 PolarHBondContact O-N 3.35Å; E153-D155 PolarHBondContact O-N 3.35Å; E153-D155 VanDerWaalsContact O-N 3.09Å; E153-E156 HydrophobicContact CB-CB 4.49Å; E153-E156 HydrophobicContact CB-CG 4.32Å; E153-E156 WeakPolarHBondContact O-CA 3.47Å; E153-E156 WeakPolarHBondContact O-CB 3.37Å; E153-E156 PolarHBondContact O-N 2.9Å; E153-L157 PolarHBondContact O-N 3.02Å | ||
| 154 | K | 79.4 | Confident | 72.4 | Confident | 156 Ų | 156 | 108.8 Ų | 108.8 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -48.2 | -42.7 | -178.8 | 178.8 | -173.7 | 171.5 | -168.9 | 0 | 112.8 | L158 | K154-L158 HydrophobicContact CG-CD1 4.13Å; K154-L158 WeakPolarHBondContact O-CB 3.19Å; K154-L158 VanDerWaalsContact O-CG 3.25Å; K154-L158 WeakPolarHBondContact O-CG 3.37Å; K154-L158 PolarHBondContact O-N 3.27Å |
| 155 | D | 80.4 | Confident | 73.8 | Confident | 95 Ų | 95 | 106.4 Ų | 106.4 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -79.3 | -23.8 | -177.1 | -68.5 | -11.2 | 0 | 0 | 0 | 112.7 | E153 K159 | E153-D155 PolarHBondContact O-N 3.35Å; E153-D155 VanDerWaalsContact O-N 3.09Å; D155-K159 WeakPolarHBondContact O-CD 3.43Å; D155-K159 VanDerWaalsContact O-CE 3.24Å; D155-K159 WeakPolarHBondContact O-CE 3.4Å; D155-K159 WeakPolarHBondContact O-CG 3.25Å; D155-K159 PolarHBondContact O-N 2.97Å; D155-K159 VanDerWaalsContact O-N 3.17Å |
| 156 | E | 78.3 | Confident | 75.1 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 43% | 0.425 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.8 | -45.2 | 167.7 | -67.5 | -143 | 120.7 | 0 | 0 | 111.6 | I152 E153 L158 K159 C160 | I152-E156 HydrophobicContact CG2-CB 3.73Å; E153-E156 HydrophobicContact CB-CB 4.49Å; E153-E156 HydrophobicContact CB-CG 4.32Å; E153-E156 WeakPolarHBondContact O-CA 3.47Å; E153-E156 WeakPolarHBondContact O-CB 3.37Å; E153-E156 PolarHBondContact O-N 2.9Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.18Å; E156-K159 CarbonylContact O-C 3.6Å; E156-K159 WeakPolarHBondContact O-CA 3.44Å; E156-K159 WeakPolarHBondContact O-CB 3.22Å; E156-K159 PolarHBondContact O-N 2.85Å; E156-C160 PolarHBondContact O-N 3Å; E156-C160 PolarHBondContact O-SG 3.36Å; E156-C160 VanDerWaalsContact O-SG 3.33Å |
| 157 | L | 79.9 | Confident | 76.7 | Confident | 53 Ų | 53 | 102.2 Ų | 102.2 | 28% | 0.277 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.4 | -46 | 173.9 | 178.9 | 60.6 | 0 | 0 | 0 | 111.2 | I152 E153 K159 C160 M161 T170 V174 | I152-L157 HydrophobicContact CG2-CB 4.29Å; E153-L157 PolarHBondContact O-N 3.02Å; L157-K159 VanDerWaalsContact C-N 3.35Å; L157-K159 PolarHBondContact O-N 3.13Å; L157-C160 PolarHBondContact O-N 3Å; L157-M161 WeakPolarHBondContact O-CG 3.43Å; L157-M161 PolarHBondContact O-N 3.05Å; L157-T170 HydrophobicContact CD1-CG2 3.58Å; L157-V174 HydrophobicContact CD1-CG2 4.26Å |
| 158 | L | 82.8 | Confident | 78.1 | Confident | 93 Ų | 93 | 107.7 Ų | 107.7 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -30.3 | 175.7 | -72.8 | 170.5 | 0 | 0 | 0 | 113.7 | K154 E156 | K154-L158 HydrophobicContact CG-CD1 4.13Å; K154-L158 WeakPolarHBondContact O-CB 3.19Å; K154-L158 VanDerWaalsContact O-CG 3.25Å; K154-L158 WeakPolarHBondContact O-CG 3.37Å; K154-L158 PolarHBondContact O-N 3.27Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.18Å |
| 159 | K | 85.4 | Confident | 79.5 | Confident | 120 Ų | 120 | 112 Ų | 112 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.3 | -42.4 | 170.8 | -70.1 | 158 | -158.7 | 160.5 | 0 | 110.9 | D155 E156 L157 R162 | D155-K159 WeakPolarHBondContact O-CD 3.43Å; D155-K159 VanDerWaalsContact O-CE 3.24Å; D155-K159 WeakPolarHBondContact O-CE 3.4Å; D155-K159 WeakPolarHBondContact O-CG 3.25Å; D155-K159 PolarHBondContact O-N 2.97Å; D155-K159 VanDerWaalsContact O-N 3.17Å; E156-K159 CarbonylContact O-C 3.6Å; E156-K159 WeakPolarHBondContact O-CA 3.44Å; E156-K159 WeakPolarHBondContact O-CB 3.22Å; E156-K159 PolarHBondContact O-N 2.85Å; L157-K159 VanDerWaalsContact C-N 3.35Å; L157-K159 PolarHBondContact O-N 3.13Å; K159-R162 PolarHBondContact O-N 2.89Å |
| 160 | C | 80.9 | Confident | 80.8 | Confident | 4 Ų | 4 | 102.7 Ų | 102.7 | 3% | 0.027 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 178 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | E156 L157 R162 D163 R166 G167 T170 | E156-C160 PolarHBondContact O-N 3Å; E156-C160 PolarHBondContact O-SG 3.36Å; E156-C160 VanDerWaalsContact O-SG 3.33Å; L157-C160 PolarHBondContact O-N 3Å; C160-R162 PolarHBondContact O-N 3.37Å; C160-R162 VanDerWaalsContact O-N 3.13Å; C160-D163 PolarHBondContact O-N 2.82Å; C160-D163 VanDerWaalsContact O-O 3.05Å; C160-R166 HydrophobicContact CB-CG 4.16Å; C160-R166 PolarHBondContact SG-NH1 3.14Å; C160-G167 PolarHBondContact O-N 3.34Å; C160-T170 HydrophobicContact CB-CG2 3.79Å; C160-T170 WeakPolarHBondContact CB-OG1 3.15Å; C160-T170 PolarHBondContact SG-OG1 3.26Å |
| 161 | M | 83.6 | Confident | 82.1 | Confident | 129 Ų | 129 | 106 Ų | 106 | 64% | 0.635 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.2 | -179.4 | -75.2 | -175.9 | 71.7 | 0 | 0 | 115.2 | L157 | L157-M161 WeakPolarHBondContact O-CG 3.43Å; L157-M161 PolarHBondContact O-N 3.05Å |
| 162 | R | 88.1 | Confident | 83.4 | Confident | 231 Ų | 231 | 104 Ų | 104 | 87% | 0.872 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -26.3 | 175.8 | -65.2 | -171.6 | -177.9 | -155.2 | 1.1 | 113.3 | K159 C160 | K159-R162 PolarHBondContact O-N 2.89Å; C160-R162 PolarHBondContact O-N 3.37Å; C160-R162 VanDerWaalsContact O-N 3.13Å |
| 163 | D | 87.4 | Confident | 84.2 | Confident | 79 Ų | 79 | 105.8 Ų | 105.8 | 42% | 0.422 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -100.6 | 124 | 173 | 168.1 | 2.6 | 0 | 0 | 0 | 108.3 | C160 E165 R166 G167 | C160-D163 PolarHBondContact O-N 2.82Å; C160-D163 VanDerWaalsContact O-O 3.05Å; D163-E165 PolarHBondContact O-N 3.43Å; D163-E165 PolarHBondContact OD1-N 2.98Å; D163-R166 HydrophobicContact CB-CB 3.84Å; D163-R166 PolarHBondContact OD1-N 2.89Å; D163-R166 VanDerWaalsContact OD2-CB 3.29Å; D163-R166 WeakPolarHBondContact OD2-CB 3.48Å; D163-R166 PolarHBondContact OD2-N 2.91Å; D163-G167 WeakPolarHBondContact O-CA 3.34Å; D163-G167 PolarHBondContact O-N 2.93Å |
| 164 | R | 88.5 | Confident | 84.7 | Confident | 222 Ų | 222 | 100.1 Ų | 100.1 | 84% | 0.838 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.7 | -30.9 | -177.7 | -175.9 | 173.3 | -179.5 | 159.9 | 0.6 | 112.7 | R168 | R164-R168 WeakPolarHBondContact O-CG 3.26Å; R164-R168 PolarHBondContact O-N 3.35Å |
| 165 | E | 87.1 | Confident | 85 | Confident | 62 Ų | 62 | 96.6 Ų | 96.6 | 29% | 0.29 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -86.2 | -45.7 | -179.3 | 178.3 | 54.4 | -162.3 | 0 | 0 | 111.7 | D163 G167 R168 R169 | D163-E165 PolarHBondContact O-N 3.43Å; D163-E165 PolarHBondContact OD1-N 2.98Å; E165-G167 VanDerWaalsContact C-N 3.29Å; E165-G167 PolarHBondContact O-N 3.02Å; E165-R168 PolarHBondContact O-N 2.92Å; E165-R168 VanDerWaalsContact O-N 3.17Å; E165-R168 IonicContact OE2-CZ 3.23Å; E165-R168 VanDerWaalsContact OE2-CZ 3.24Å; E165-R168 IonicContact OE2-NE 3.43Å; E165-R168 PolarHBondContact OE2-NE 3.4Å; E165-R168 IonicContact OE2-NH2 2.73Å; E165-R168 PolarHBondContact OE2-NH2 3.21Å; E165-R169 VanDerWaalsContact CG-NH2 3.33Å; E165-R169 PolarHBondContact O-N 2.86Å; E165-R169 IonicContact OE1-CZ 3.22Å; E165-R169 IonicContact OE1-NE 2.64Å; E165-R169 PolarHBondContact OE1-NE 3.34Å; E165-R169 IonicContact OE1-NH2 2.73Å; E165-R169 PolarHBondContact OE1-NH2 3.26Å |
| 166 | R | 84.2 | Confident | 85.2 | Confident | 116 Ų | 116 | 94.4 Ų | 94.4 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 172 | -167.7 | 173.1 | -172.8 | -132.5 | -5.6 | 111.4 | C160 D163 R168 R169 T170 | C160-R166 HydrophobicContact CB-CG 4.16Å; C160-R166 PolarHBondContact SG-NH1 3.14Å; D163-R166 HydrophobicContact CB-CB 3.84Å; D163-R166 PolarHBondContact OD1-N 2.89Å; D163-R166 VanDerWaalsContact OD2-CB 3.29Å; D163-R166 WeakPolarHBondContact OD2-CB 3.48Å; D163-R166 PolarHBondContact OD2-N 2.91Å; R166-R168 VanDerWaalsContact C-N 3.32Å; R166-R168 PolarHBondContact O-N 3.14Å; R166-R169 PolarHBondContact O-N 3.41Å; R166-R169 VanDerWaalsContact O-N 3.17Å; R166-T170 WeakPolarHBondContact O-CB 3.26Å; R166-T170 PolarHBondContact O-N 3.03Å; R166-T170 PolarHBondContact O-OG1 3.29Å |
| 167 | G | 89.5 | Confident | 85.3 | Confident | 16 Ų | 16 | 91.3 Ų | 91.3 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.6 | -34.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C160 D163 E165 M171 | C160-G167 PolarHBondContact O-N 3.34Å; D163-G167 WeakPolarHBondContact O-CA 3.34Å; D163-G167 PolarHBondContact O-N 2.93Å; E165-G167 VanDerWaalsContact C-N 3.29Å; E165-G167 PolarHBondContact O-N 3.02Å; G167-M171 VanDerWaalsContact O-CB 3.27Å; G167-M171 WeakPolarHBondContact O-CB 3.18Å; G167-M171 PolarHBondContact O-N 3.1Å |
| 168 | R | 88.5 | Confident | 85.5 | Confident | 169 Ų | 169 | 94.1 Ų | 94.1 | 64% | 0.638 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 173.3 | -80.4 | -162.8 | -67.7 | -168.3 | -0.5 | 112 | R164 E165 R166 M171 S172 | R164-R168 WeakPolarHBondContact O-CG 3.26Å; R164-R168 PolarHBondContact O-N 3.35Å; E165-R168 PolarHBondContact O-N 2.92Å; E165-R168 VanDerWaalsContact O-N 3.17Å; E165-R168 IonicContact OE2-CZ 3.23Å; E165-R168 VanDerWaalsContact OE2-CZ 3.24Å; E165-R168 IonicContact OE2-NE 3.43Å; E165-R168 PolarHBondContact OE2-NE 3.4Å; E165-R168 IonicContact OE2-NH2 2.73Å; E165-R168 PolarHBondContact OE2-NH2 3.21Å; R166-R168 VanDerWaalsContact C-N 3.32Å; R166-R168 PolarHBondContact O-N 3.14Å; R168-M171 PolarHBondContact O-N 2.97Å; R168-S172 PolarHBondContact O-N 3.04Å; R168-S172 VanDerWaalsContact O-N 3.14Å |
| 169 | R | 87.7 | Confident | 85.6 | Confident | 155 Ų | 155 | 93.6 Ų | 93.6 | 59% | 0.585 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.3 | -52.5 | 179.8 | -60 | 174 | -163.9 | 176.8 | 1.2 | 110.3 | E165 R166 M171 S172 D173 | E165-R169 VanDerWaalsContact CG-NH2 3.33Å; E165-R169 PolarHBondContact O-N 2.86Å; E165-R169 IonicContact OE1-CZ 3.22Å; E165-R169 IonicContact OE1-NE 2.64Å; E165-R169 PolarHBondContact OE1-NE 3.34Å; E165-R169 IonicContact OE1-NH2 2.73Å; E165-R169 PolarHBondContact OE1-NH2 3.26Å; R166-R169 PolarHBondContact O-N 3.41Å; R166-R169 VanDerWaalsContact O-N 3.17Å; R169-M171 VanDerWaalsContact C-N 3.27Å; R169-M171 PolarHBondContact O-N 3Å; R169-S172 CarbonylContact O-C 3.56Å; R169-S172 WeakPolarHBondContact O-CA 3.47Å; R169-S172 WeakPolarHBondContact O-CB 3.49Å; R169-S172 PolarHBondContact O-N 3.28Å; R169-D173 VanDerWaalsContact O-CG 3.25Å; R169-D173 PolarHBondContact O-N 3.26Å; R169-D173 VanDerWaalsContact O-OD2 3.09Å |
| 170 | T | 85.8 | Confident | 85.3 | Confident | 10 Ų | 10 | 94.6 Ų | 94.6 | 6% | 0.061 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -56.2 | -36.8 | 175.7 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | I152 L157 C160 R166 D173 V174 | I152-T170 HydrophobicContact CD1-CG2 3.81Å; L157-T170 HydrophobicContact CD1-CG2 3.58Å; C160-T170 HydrophobicContact CB-CG2 3.79Å; C160-T170 WeakPolarHBondContact CB-OG1 3.15Å; C160-T170 PolarHBondContact SG-OG1 3.26Å; R166-T170 WeakPolarHBondContact O-CB 3.26Å; R166-T170 PolarHBondContact O-N 3.03Å; R166-T170 PolarHBondContact O-OG1 3.29Å; T170-D173 WeakPolarHBondContact CA-OD2 3.36Å; T170-D173 PolarHBondContact N-OD2 3.05Å; T170-D173 PolarHBondContact O-N 2.82Å; T170-V174 WeakPolarHBondContact O-CB 3.43Å; T170-V174 VanDerWaalsContact O-CG2 3.27Å; T170-V174 WeakPolarHBondContact O-CG2 3.4Å; T170-V174 PolarHBondContact O-N 3.36Å |
| 171 | M | 86.4 | Confident | 85.3 | Confident | 119 Ų | 119 | 100.3 Ų | 100.3 | 59% | 0.586 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.4 | -34.5 | 174 | -168.3 | 68 | -167.6 | 0 | 0 | 112.5 | G167 R168 R169 N175 | G167-M171 VanDerWaalsContact O-CB 3.27Å; G167-M171 WeakPolarHBondContact O-CB 3.18Å; G167-M171 PolarHBondContact O-N 3.1Å; R168-M171 PolarHBondContact O-N 2.97Å; R169-M171 VanDerWaalsContact C-N 3.27Å; R169-M171 PolarHBondContact O-N 3Å; M171-N175 WeakPolarHBondContact O-CB 3.46Å; M171-N175 PolarHBondContact O-N 3.42Å |
| 172 | S | 87.5 | Confident | 85.4 | Confident | 71 Ų | 71 | 100.9 Ų | 100.9 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 172.2 | -165.8 | 0 | 0 | 0 | 0 | 111.8 | R168 R169 N175 S176 | R168-S172 PolarHBondContact O-N 3.04Å; R168-S172 VanDerWaalsContact O-N 3.14Å; R169-S172 CarbonylContact O-C 3.56Å; R169-S172 WeakPolarHBondContact O-CA 3.47Å; R169-S172 WeakPolarHBondContact O-CB 3.49Å; R169-S172 PolarHBondContact O-N 3.28Å; S172-N175 PolarHBondContact O-N 2.84Å; S172-S176 WeakPolarHBondContact O-CB 3.36Å; S172-S176 PolarHBondContact O-N 2.89Å; S172-S176 PolarHBondContact O-OG 3.38Å |
| 173 | D | 83.2 | Confident | 85.1 | Confident | 87 Ų | 87 | 94.8 Ų | 94.8 | 47% | 0.465 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 176.2 | -55.4 | -40.6 | 0 | 0 | 0 | 110.6 | I152 R169 T170 S176 A177 | I152-D173 HydrophobicContact CD1-CB 4.21Å; R169-D173 VanDerWaalsContact O-CG 3.25Å; R169-D173 PolarHBondContact O-N 3.26Å; R169-D173 VanDerWaalsContact O-OD2 3.09Å; T170-D173 WeakPolarHBondContact CA-OD2 3.36Å; T170-D173 PolarHBondContact N-OD2 3.05Å; T170-D173 PolarHBondContact O-N 2.82Å; D173-S176 WeakPolarHBondContact O-CB 3.25Å; D173-S176 PolarHBondContact O-N 2.65Å; D173-S176 VanDerWaalsContact O-N 3.17Å; D173-A177 PolarHBondContact O-N 3.03Å |
| 174 | V | 83.6 | Confident | 84.7 | Confident | 25 Ų | 25 | 91.8 Ų | 91.8 | 15% | 0.152 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 175.5 | 166.3 | 0 | 0 | 0 | 0 | 111.7 | I152 L157 T170 S176 A177 F178 | I152-V174 HydrophobicContact CD1-CG2 4.26Å; L157-V174 HydrophobicContact CD1-CG2 4.26Å; T170-V174 WeakPolarHBondContact O-CB 3.43Å; T170-V174 VanDerWaalsContact O-CG2 3.27Å; T170-V174 WeakPolarHBondContact O-CG2 3.4Å; T170-V174 PolarHBondContact O-N 3.36Å; V174-S176 VanDerWaalsContact C-N 3.29Å; V174-S176 PolarHBondContact O-N 3.1Å; V174-A177 PolarHBondContact O-N 2.94Å; V174-F178 HydrophobicContact CG1-CD2 3.73Å; V174-F178 HydrophobicContact CG1-CE2 3.47Å; V174-F178 VanDerWaalsContact CG1-CE2 3.47Å; V174-F178 VanDerWaalsContact O-CD2 3.25Å; V174-F178 WeakPolarHBondContact O-CD2 3.36Å; V174-F178 PolarHBondContact O-N 2.87Å |
| 175 | N | 87.4 | Confident | 84.4 | Confident | 82 Ų | 82 | 83.2 Ų | 83.2 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.4 | -34.4 | 175.8 | -164.5 | 99.7 | 0 | 0 | 0 | 111.8 | M171 S172 F178 N179 | M171-N175 WeakPolarHBondContact O-CB 3.46Å; M171-N175 PolarHBondContact O-N 3.42Å; S172-N175 PolarHBondContact O-N 2.84Å; N175-F178 PolarHBondContact O-N 2.66Å; N175-N179 PolarHBondContact O-N 3.42Å; N175-N179 PolarHBondContact O-OD1 2.99Å |
| 176 | S | 84.2 | Confident | 84.3 | Confident | 48 Ų | 48 | 84.4 Ų | 84.4 | 34% | 0.336 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 174.8 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | S172 D173 V174 N179 R180 | S172-S176 WeakPolarHBondContact O-CB 3.36Å; S172-S176 PolarHBondContact O-N 2.89Å; S172-S176 PolarHBondContact O-OG 3.38Å; D173-S176 WeakPolarHBondContact O-CB 3.25Å; D173-S176 PolarHBondContact O-N 2.65Å; D173-S176 VanDerWaalsContact O-N 3.17Å; V174-S176 VanDerWaalsContact C-N 3.29Å; V174-S176 PolarHBondContact O-N 3.1Å; S176-N179 PolarHBondContact O-N 3.5Å; S176-R180 WeakPolarHBondContact O-CG 3.39Å; S176-R180 PolarHBondContact O-N 3.23Å; S176-R180 VanDerWaalsContact O-N 3.13Å |
| 177 | A | 79.6 | Confident | 84.1 | Confident | 26 Ų | 26 | 80 Ų | 80 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | D173 V174 R180 Y181 | D173-A177 PolarHBondContact O-N 3.03Å; V174-A177 PolarHBondContact O-N 2.94Å; A177-R180 PolarHBondContact O-N 2.95Å; A177-Y181 WeakPolarHBondContact O-CB 3.48Å; A177-Y181 PolarHBondContact O-N 3.18Å |
| 178 | F | 83.7 | Confident | 83.8 | Confident | 112 Ų | 112 | 84.7 Ų | 84.7 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 172.9 | -81.1 | -57.7 | 0 | 0 | 0 | 112.4 | V174 N175 Y181 Y182 | V174-F178 HydrophobicContact CG1-CD2 3.73Å; V174-F178 HydrophobicContact CG1-CE2 3.47Å; V174-F178 VanDerWaalsContact CG1-CE2 3.47Å; V174-F178 VanDerWaalsContact O-CD2 3.25Å; V174-F178 WeakPolarHBondContact O-CD2 3.36Å; V174-F178 PolarHBondContact O-N 2.87Å; N175-F178 PolarHBondContact O-N 2.66Å; F178-Y181 WeakPolarHBondContact O-CB 3.19Å; F178-Y181 PolarHBondContact O-N 3.03Å; F178-Y182 HydrophobicContact CB-CE2 4.34Å; F178-Y182 WeakPolarHBondContact O-CD2 3.37Å; F178-Y182 PolarHBondContact O-N 2.95Å |
| 179 | N | 85 | Confident | 83.6 | Confident | 83 Ų | 83 | 84.1 Ų | 84.1 | 44% | 0.444 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 175.6 | -71.6 | -1 | 0 | 0 | 0 | 111.2 | N175 S176 Y181 Y182 D183 | N175-N179 PolarHBondContact O-N 3.42Å; N175-N179 PolarHBondContact O-OD1 2.99Å; S176-N179 PolarHBondContact O-N 3.5Å; N179-Y181 PolarHBondContact O-N 3.33Å; N179-Y182 PolarHBondContact O-N 3.18Å; N179-D183 PolarHBondContact O-N 3.37Å |
| 180 | R | 80.4 | Confident | 83.4 | Confident | 140 Ų | 140 | 82 Ų | 82 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.2 | -36.1 | 175.9 | -67 | 176.9 | -159.1 | -178.9 | 6 | 112.9 | S176 A177 A184 | S176-R180 WeakPolarHBondContact O-CG 3.39Å; S176-R180 PolarHBondContact O-N 3.23Å; S176-R180 VanDerWaalsContact O-N 3.13Å; A177-R180 PolarHBondContact O-N 2.95Å; R180-A184 VanDerWaalsContact O-CB 3.23Å; R180-A184 WeakPolarHBondContact O-CB 3.33Å; R180-A184 PolarHBondContact O-N 3.26Å |
| 181 | Y | 80.4 | Confident | 83.2 | Confident | 124 Ų | 124 | 83.9 Ų | 83.9 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.1 | -178.6 | -93.7 | 0 | 0 | 0 | 112 | P148 A177 F178 N179 V185 | P148-Y181 HydrophobicContact CB-CD2 4.02Å; A177-Y181 WeakPolarHBondContact O-CB 3.48Å; A177-Y181 PolarHBondContact O-N 3.18Å; F178-Y181 WeakPolarHBondContact O-CB 3.19Å; F178-Y181 PolarHBondContact O-N 3.03Å; N179-Y181 PolarHBondContact O-N 3.33Å; Y181-V185 HydrophobicContact CD1-CG2 4.2Å; Y181-V185 HydrophobicContact CE1-CG2 3.76Å; Y181-V185 HydrophobicContact CE2-CG2 4.29Å; Y181-V185 WeakPolarHBondContact O-CB 3.18Å; Y181-V185 VanDerWaalsContact O-CG2 3.26Å; Y181-V185 WeakPolarHBondContact O-CG2 3.47Å; Y181-V185 PolarHBondContact O-N 3.45Å |
| 182 | Y | 85 | Confident | 83.1 | Confident | 141 Ų | 141 | 81 Ų | 81 | 55% | 0.553 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.8 | -46.4 | 173.2 | -67.8 | -60.6 | 0 | 0 | 0 | 111.7 | F178 N179 A184 V185 D186 | F178-Y182 HydrophobicContact CB-CE2 4.34Å; F178-Y182 WeakPolarHBondContact O-CD2 3.37Å; F178-Y182 PolarHBondContact O-N 2.95Å; N179-Y182 PolarHBondContact O-N 3.18Å; Y182-A184 VanDerWaalsContact C-N 3.31Å; Y182-A184 PolarHBondContact O-N 3.14Å; Y182-V185 PolarHBondContact O-N 2.92Å; Y182-V185 VanDerWaalsContact O-N 3.16Å; Y182-D186 PolarHBondContact O-N 3.4Å |
| 183 | D | 81.6 | Confident | 83 | Confident | 104 Ų | 104 | 81.2 Ų | 81.2 | 56% | 0.556 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -55.8 | -46.1 | 176.6 | -59.7 | -32.1 | 0 | 0 | 0 | 110.9 | N179 A187 | N179-D183 PolarHBondContact O-N 3.37Å; D183-A187 VanDerWaalsContact O-CB 3.27Å; D183-A187 WeakPolarHBondContact O-CB 3.34Å; D183-A187 PolarHBondContact O-N 3.04Å |
| 184 | A | 79 | Confident | 82.9 | Confident | 16 Ų | 16 | 79.4 Ų | 79.4 | 13% | 0.132 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N146 R180 Y182 H188 | N146-A184 HydrophobicContact CB-CB 4.36Å; N146-A184 WeakPolarHBondContact O-CB 3.48Å; R180-A184 VanDerWaalsContact O-CB 3.23Å; R180-A184 WeakPolarHBondContact O-CB 3.33Å; R180-A184 PolarHBondContact O-N 3.26Å; Y182-A184 VanDerWaalsContact C-N 3.31Å; Y182-A184 PolarHBondContact O-N 3.14Å; A184-H188 VanDerWaalsContact O-CB 3.3Å; A184-H188 WeakPolarHBondContact O-CB 3.3Å; A184-H188 PolarHBondContact O-N 3.03Å |
| 185 | V | 83.6 | Confident | 83.1 | Confident | 42 Ų | 42 | 80.7 Ų | 80.7 | 26% | 0.255 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69 | -42 | 176.7 | 164.1 | 0 | 0 | 0 | 0 | 111.6 | Y181 Y182 H188 R189 | Y181-V185 HydrophobicContact CD1-CG2 4.2Å; Y181-V185 HydrophobicContact CE1-CG2 3.76Å; Y181-V185 HydrophobicContact CE2-CG2 4.29Å; Y181-V185 WeakPolarHBondContact O-CB 3.18Å; Y181-V185 VanDerWaalsContact O-CG2 3.26Å; Y181-V185 WeakPolarHBondContact O-CG2 3.47Å; Y181-V185 PolarHBondContact O-N 3.45Å; Y182-V185 PolarHBondContact O-N 2.92Å; Y182-V185 VanDerWaalsContact O-N 3.16Å; V185-H188 PolarHBondContact O-N 2.84Å; V185-R189 WeakPolarHBondContact O-CG 3.45Å; V185-R189 PolarHBondContact O-N 3.44Å |
| 186 | D | 84.2 | Confident | 83.1 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -72.1 | -37.6 | 178 | -77.1 | -26.2 | 0 | 0 | 0 | 111.9 | Y182 H188 R189 E190 | Y182-D186 PolarHBondContact O-N 3.4Å; D186-H188 VanDerWaalsContact C-N 3.34Å; D186-H188 PolarHBondContact O-N 3.18Å; D186-R189 WeakPolarHBondContact O-CB 3.39Å; D186-R189 PolarHBondContact O-N 3.01Å; D186-R189 VanDerWaalsContact O-N 3.17Å; D186-R189 VanDerWaalsContact OD1-CD 3.25Å; D186-R189 WeakPolarHBondContact OD1-CD 2.99Å; D186-R189 IonicContact OD1-CZ 3.15Å; D186-R189 IonicContact OD1-NE 3.56Å; D186-R189 IonicContact OD1-NH1 3.33Å; D186-R189 PolarHBondContact OD1-NH1 3.22Å; D186-E190 PolarHBondContact O-N 3.23Å |
| 187 | A | 80.2 | Confident | 83 | Confident | 23 Ų | 23 | 83.1 Ų | 83.1 | 19% | 0.19 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.7 | -43 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W141 D183 R189 E190 K191 | W141-A187 WeakPolarHBondContact CH2-O 3.35Å; W141-A187 HydrophobicContact CZ3-CB 3.95Å; W141-A187 WeakPolarHBondContact CZ3-O 3.4Å; D183-A187 VanDerWaalsContact O-CB 3.27Å; D183-A187 WeakPolarHBondContact O-CB 3.34Å; D183-A187 PolarHBondContact O-N 3.04Å; A187-R189 VanDerWaalsContact C-N 3.31Å; A187-R189 PolarHBondContact O-N 3.23Å; A187-E190 PolarHBondContact O-N 3.14Å; A187-K191 PolarHBondContact O-N 3.28Å |
| 188 | H | 82.1 | Confident | 83.4 | Confident | 116 Ų | 116 | 82.5 Ų | 82.5 | 54% | 0.537 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.5 | -28.8 | 176.3 | -161.7 | -46.1 | 0 | 0 | 0 | 112.8 | A184 V185 D186 K191 V192 | A184-H188 VanDerWaalsContact O-CB 3.3Å; A184-H188 WeakPolarHBondContact O-CB 3.3Å; A184-H188 PolarHBondContact O-N 3.03Å; V185-H188 PolarHBondContact O-N 2.84Å; D186-H188 VanDerWaalsContact C-N 3.34Å; D186-H188 PolarHBondContact O-N 3.18Å; H188-K191 WeakPolarHBondContact O-CB 3.26Å; H188-V192 WeakPolarHBondContact O-CG2 3.35Å; H188-V192 PolarHBondContact O-N 2.64Å; H188-V192 VanDerWaalsContact O-N 3.12Å |
| 189 | R | 85.8 | Confident | 83.6 | Confident | 157 Ų | 157 | 80.6 Ų | 80.6 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.5 | -44.7 | 171.2 | -75.1 | 160.9 | 164.5 | 173.5 | -2.9 | 111.4 | V185 D186 A187 K191 V192 V193 | V185-R189 WeakPolarHBondContact O-CG 3.45Å; V185-R189 PolarHBondContact O-N 3.44Å; D186-R189 WeakPolarHBondContact O-CB 3.39Å; D186-R189 PolarHBondContact O-N 3.01Å; D186-R189 VanDerWaalsContact O-N 3.17Å; D186-R189 VanDerWaalsContact OD1-CD 3.25Å; D186-R189 WeakPolarHBondContact OD1-CD 2.99Å; D186-R189 IonicContact OD1-CZ 3.15Å; D186-R189 IonicContact OD1-NE 3.56Å; D186-R189 IonicContact OD1-NH1 3.33Å; D186-R189 PolarHBondContact OD1-NH1 3.22Å; A187-R189 VanDerWaalsContact C-N 3.31Å; A187-R189 PolarHBondContact O-N 3.23Å; R189-K191 VanDerWaalsContact C-N 3.35Å; R189-K191 PolarHBondContact O-N 3.43Å; R189-V192 PolarHBondContact O-N 2.73Å; R189-V193 PolarHBondContact O-N 3.06Å; R189-V193 VanDerWaalsContact O-N 3.12Å |
| 190 | E | 82.1 | Confident | 83.6 | Confident | 111 Ų | 111 | 78.3 Ų | 78.3 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 174.5 | -173.9 | 165 | -149.9 | 0 | 0 | 111.3 | D186 A187 V192 V193 H194 | D186-E190 PolarHBondContact O-N 3.23Å; A187-E190 PolarHBondContact O-N 3.14Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 3.17Å; E190-V193 WeakPolarHBondContact O-CB 3.33Å; E190-V193 PolarHBondContact O-N 3.27Å; E190-V193 VanDerWaalsContact O-N 3.12Å; E190-H194 PolarHBondContact O-CD2 2.62Å; E190-H194 PolarHBondContact O-N 2.91Å |
| 191 | K | 82.5 | Confident | 83.7 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 21% | 0.213 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -52.9 | -45.5 | 172.8 | -167.7 | -179.2 | -171.7 | 177 | 0 | 113 | W141 A187 H188 R189 H194 L195 | W141-K191 HydrophobicContact CB-CD 4.5Å; W141-K191 HydrophobicContact CD2-CB 4.15Å; W141-K191 HydrophobicContact CD2-CD 3.53Å; W141-K191 HydrophobicContact CD2-CG 3.82Å; W141-K191 HydrophobicContact CE3-CB 4.08Å; W141-K191 HydrophobicContact CE3-CD 3.83Å; W141-K191 HydrophobicContact CE3-CG 4.2Å; W141-K191 HydrophobicContact CG-CD 3.8Å; W141-K191 HydrophobicContact CG-CG 4.37Å; W141-K191 HydrophobicContact CH2-CB 3.59Å; W141-K191 HydrophobicContact CH2-CG 4.26Å; W141-K191 HydrophobicContact CZ2-CB 3.6Å; W141-K191 HydrophobicContact CZ2-CD 4.45Å; W141-K191 HydrophobicContact CZ2-CG 3.82Å; W141-K191 HydrophobicContact CZ3-CB 3.81Å; W141-K191 HydrophobicContact CZ3-CD 4.43Å; W141-K191 HydrophobicContact CZ3-CG 4.41Å; A187-K191 PolarHBondContact O-N 3.28Å; H188-K191 WeakPolarHBondContact O-CB 3.26Å; R189-K191 VanDerWaalsContact C-N 3.35Å; R189-K191 PolarHBondContact O-N 3.43Å; K191-H194 PolarHBondContact O-N 3.47Å; K191-L195 HydrophobicContact CG-CD1 4.13Å; K191-L195 WeakPolarHBondContact O-CB 3.22Å; K191-L195 WeakPolarHBondContact O-CG 3.48Å; K191-L195 PolarHBondContact O-N 3.39Å |
| 192 | V | 84.9 | Confident | 84.3 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 180 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | H188 R189 E190 H194 L195 N196 | H188-V192 WeakPolarHBondContact O-CG2 3.35Å; H188-V192 PolarHBondContact O-N 2.64Å; H188-V192 VanDerWaalsContact O-N 3.12Å; R189-V192 PolarHBondContact O-N 2.73Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 3.17Å; V192-H194 VanDerWaalsContact C-N 3.34Å; V192-L195 PolarHBondContact O-N 3.25Å; V192-N196 WeakPolarHBondContact O-CB 3.32Å; V192-N196 VanDerWaalsContact O-CG 3.27Å; V192-N196 PolarHBondContact O-N 3.4Å |
| 193 | V | 85.1 | Confident | 84.5 | Confident | 76 Ų | 76 | 68 Ų | 68 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 173.9 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | R189 E190 K197 | R189-V193 PolarHBondContact O-N 3.06Å; R189-V193 VanDerWaalsContact O-N 3.12Å; E190-V193 WeakPolarHBondContact O-CB 3.33Å; E190-V193 PolarHBondContact O-N 3.27Å; E190-V193 VanDerWaalsContact O-N 3.12Å; V193-K197 WeakPolarHBondContact O-CG 3.49Å; V193-K197 PolarHBondContact O-N 2.89Å |
| 194 | H | 81.5 | Confident | 84.6 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74 | -34.9 | 178.5 | -81.3 | -110.1 | 0 | 0 | 0 | 113.2 | Y133 E190 K191 V192 K197 L198 | Y133-H194 HydrophobicContact CD1-CB 4.21Å; Y133-H194 AromaticContact CD1-ND1 3.43Å; Y133-H194 WeakPolarHBondContact CD1-ND1 3.37Å; Y133-H194 HydrophobicContact CE1-CB 3.69Å; Y133-H194 AromaticContact CE1-CE1 3.84Å; Y133-H194 AromaticContact CE1-CG 3.45Å; Y133-H194 VanDerWaalsContact CE1-CG 3.45Å; Y133-H194 AromaticContact CE1-ND1 2.97Å; Y133-H194 WeakPolarHBondContact CE1-ND1 3.35Å; Y133-H194 AromaticContact CE2-ND1 3.88Å; Y133-H194 AromaticContact CZ-CE1 3.61Å; Y133-H194 AromaticContact CZ-CG 3.89Å; Y133-H194 AromaticContact CZ-ND1 3.23Å; E190-H194 PolarHBondContact O-CD2 2.62Å; E190-H194 PolarHBondContact O-N 2.91Å; K191-H194 PolarHBondContact O-N 3.47Å; V192-H194 VanDerWaalsContact C-N 3.34Å; H194-K197 PolarHBondContact NE2-NZ 3.36Å; H194-K197 PolarHBondContact O-N 2.74Å; H194-L198 PolarHBondContact O-N 3.15Å |
| 195 | L | 87.2 | Confident | 85.1 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 170.3 | -80 | 169.8 | 0 | 0 | 0 | 112.2 | Y134 K191 V192 K197 L198 V199 | Y134-L195 HydrophobicContact CD2-CD2 3.89Å; Y134-L195 HydrophobicContact CE2-CD2 3.57Å; Y134-L195 HydrophobicContact CE2-CG 4.46Å; K191-L195 HydrophobicContact CG-CD1 4.13Å; K191-L195 WeakPolarHBondContact O-CB 3.22Å; K191-L195 WeakPolarHBondContact O-CG 3.48Å; K191-L195 PolarHBondContact O-N 3.39Å; V192-L195 PolarHBondContact O-N 3.25Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.84Å; L195-L198 PolarHBondContact O-N 3.24Å; L195-L198 VanDerWaalsContact O-N 3.12Å; L195-V199 WeakPolarHBondContact O-CG2 3.35Å; L195-V199 PolarHBondContact O-N 3.07Å |
| 196 | N | 86.3 | Confident | 85.4 | Confident | 71 Ų | 71 | 64.2 Ų | 64.2 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 176.9 | -71.9 | -13.1 | 0 | 0 | 0 | 111.8 | V192 A200 | V192-N196 WeakPolarHBondContact O-CB 3.32Å; V192-N196 VanDerWaalsContact O-CG 3.27Å; V192-N196 PolarHBondContact O-N 3.4Å; N196-A200 PolarHBondContact O-N 2.75Å; N196-A200 VanDerWaalsContact O-N 3.15Å |
| 197 | K | 82.7 | Confident | 85.4 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 172.9 | -69.6 | 167.9 | -171.4 | 168 | 0 | 112.2 | V193 H194 L195 A200 C201 | V193-K197 WeakPolarHBondContact O-CG 3.49Å; V193-K197 PolarHBondContact O-N 2.89Å; H194-K197 PolarHBondContact NE2-NZ 3.36Å; H194-K197 PolarHBondContact O-N 2.74Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.84Å; K197-A200 PolarHBondContact O-N 3.16Å; K197-C201 PolarHBondContact O-N 3.47Å; K197-C201 VanDerWaalsContact O-N 3.07Å; K197-C201 PolarHBondContact O-SG 3.02Å |
| 198 | L | 88.2 | Confident | 85.9 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 178.4 | 174.6 | 60.5 | 0 | 0 | 0 | 111.7 | A130 V131 Y134 H194 L195 C201 L202 | A130-L198 HydrophobicContact CB-CD1 3.93Å; V131-L198 HydrophobicContact CG2-CD1 3.75Å; Y134-L198 HydrophobicContact CD1-CD2 3.81Å; Y134-L198 HydrophobicContact CG-CD2 3.77Å; H194-L198 PolarHBondContact O-N 3.15Å; L195-L198 PolarHBondContact O-N 3.24Å; L195-L198 VanDerWaalsContact O-N 3.12Å; L198-C201 PolarHBondContact O-N 3.11Å; L198-L202 HydrophobicContact CD1-CD1 3.94Å; L198-L202 HydrophobicContact CD1-CG 4.05Å; L198-L202 HydrophobicContact CG-CD1 3.85Å; L198-L202 HydrophobicContact CG-CG 4.42Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.3Å |
| 199 | V | 88.8 | Confident | 86.3 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58 | -52.5 | 175.9 | 169 | 0 | 0 | 0 | 0 | 110.4 | L195 C201 L202 E203 | L195-V199 WeakPolarHBondContact O-CG2 3.35Å; L195-V199 PolarHBondContact O-N 3.07Å; V199-C201 VanDerWaalsContact C-N 3.3Å; V199-C201 PolarHBondContact O-N 2.94Å; V199-L202 PolarHBondContact O-N 2.74Å; V199-E203 HydrophobicContact CG1-CG 4.28Å; V199-E203 WeakPolarHBondContact CG1-OE2 3.38Å; V199-E203 WeakPolarHBondContact O-CG 3.29Å; V199-E203 PolarHBondContact O-N 3.28Å |
| 200 | A | 83.9 | Confident | 86.5 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.6 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N196 K197 E203 L204 | N196-A200 PolarHBondContact O-N 2.75Å; N196-A200 VanDerWaalsContact O-N 3.15Å; K197-A200 PolarHBondContact O-N 3.16Å; A200-E203 WeakPolarHBondContact CA-OE2 3.33Å; A200-L204 WeakPolarHBondContact O-CB 3.45Å; A200-L204 PolarHBondContact O-N 2.85Å; A200-L204 VanDerWaalsContact O-N 3.07Å |
| 201 | C | 83.6 | Confident | 86.7 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 174.4 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | L127 K197 L198 V199 A205 | L127-C201 HydrophobicContact CD1-CB 3.86Å; K197-C201 PolarHBondContact O-N 3.47Å; K197-C201 VanDerWaalsContact O-N 3.07Å; K197-C201 PolarHBondContact O-SG 3.02Å; L198-C201 PolarHBondContact O-N 3.11Å; V199-C201 VanDerWaalsContact C-N 3.3Å; V199-C201 PolarHBondContact O-N 2.94Å; C201-A205 WeakPolarHBondContact O-CB 3.25Å; C201-A205 PolarHBondContact O-N 3.04Å |
| 202 | L | 91.6 | Very high | 87 | Confident | 90 Ų | 90 | 56.8 Ų | 56.8 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 178.4 | -74.7 | 166.4 | 0 | 0 | 0 | 111.7 | L127 L198 V199 A205 G206 | L127-L202 HydrophobicContact CD1-CD2 3.96Å; L127-L202 HydrophobicContact CD1-CG 4.24Å; L198-L202 HydrophobicContact CD1-CD1 3.94Å; L198-L202 HydrophobicContact CD1-CG 4.05Å; L198-L202 HydrophobicContact CG-CD1 3.85Å; L198-L202 HydrophobicContact CG-CG 4.42Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.3Å; V199-L202 PolarHBondContact O-N 2.74Å; L202-A205 WeakPolarHBondContact O-CB 3.36Å; L202-A205 PolarHBondContact O-N 3.22Å; L202-G206 PolarHBondContact O-N 3.19Å |
| 203 | E | 88.7 | Confident | 87.1 | Confident | 64 Ų | 64 | 56 Ų | 56 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 176.3 | -71.1 | 171.8 | 128.3 | 0 | 0 | 111.7 | V92 V199 A200 A205 G206 I207 | V92-E203 HydrophobicContact CB-CB 4.2Å; V92-E203 HydrophobicContact CG1-CB 3.72Å; V92-E203 HydrophobicContact CG1-CG 4.18Å; V92-E203 HydrophobicContact CG2-CB 3.42Å; V92-E203 VanDerWaalsContact CG2-CB 3.42Å; V92-E203 HydrophobicContact CG2-CG 4.17Å; V92-E203 WeakPolarHBondContact CG2-OE2 3.35Å; V199-E203 HydrophobicContact CG1-CG 4.28Å; V199-E203 WeakPolarHBondContact CG1-OE2 3.38Å; V199-E203 WeakPolarHBondContact O-CG 3.29Å; V199-E203 PolarHBondContact O-N 3.28Å; A200-E203 WeakPolarHBondContact CA-OE2 3.33Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 3.41Å; E203-G206 PolarHBondContact O-N 3.46Å; E203-G206 VanDerWaalsContact O-N 3.16Å; E203-I207 PolarHBondContact O-N 2.87Å; E203-I207 VanDerWaalsContact O-N 3.11Å |
| 204 | L | 84.9 | Confident | 87.2 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 173.1 | -172.9 | 62.4 | 0 | 0 | 0 | 112 | L118 F122 A200 G206 I207 F208 | L118-L204 HydrophobicContact CB-CD1 3.97Å; L118-L204 HydrophobicContact CD2-CD1 3.58Å; L118-L204 HydrophobicContact CG-CD1 4.43Å; F122-L204 HydrophobicContact CB-CD2 4.22Å; F122-L204 HydrophobicContact CB-CG 4.15Å; F122-L204 HydrophobicContact CD2-CD2 4.33Å; F122-L204 HydrophobicContact CD2-CG 4.07Å; A200-L204 WeakPolarHBondContact O-CB 3.45Å; A200-L204 PolarHBondContact O-N 2.85Å; A200-L204 VanDerWaalsContact O-N 3.07Å; L204-G206 VanDerWaalsContact C-N 3.34Å; L204-I207 PolarHBondContact O-N 2.98Å; L204-F208 WeakPolarHBondContact O-CB 3.44Å; L204-F208 PolarHBondContact O-N 3.04Å |
| 205 | A | 88.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F122 L127 C201 L202 E203 F208 Y209 | F122-A205 HydrophobicContact CD2-CB 4.42Å; F122-A205 HydrophobicContact CE2-CB 3.54Å; F122-A205 HydrophobicContact CZ-CB 3.97Å; L127-A205 HydrophobicContact CD2-CB 3.76Å; C201-A205 WeakPolarHBondContact O-CB 3.25Å; C201-A205 PolarHBondContact O-N 3.04Å; L202-A205 WeakPolarHBondContact O-CB 3.36Å; L202-A205 PolarHBondContact O-N 3.22Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 3.41Å; A205-F208 PolarHBondContact O-N 3.26Å; A205-Y209 HydrophobicContact CB-CD2 4.25Å; A205-Y209 HydrophobicContact CB-CE2 4.33Å; A205-Y209 WeakPolarHBondContact O-CB 3.41Å; A205-Y209 WeakPolarHBondContact O-CD2 2.97Å; A205-Y209 PolarHBondContact O-N 2.87Å |
| 206 | G | 90 | Very high | 87.8 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L202 E203 L204 L210 | L202-G206 PolarHBondContact O-N 3.19Å; E203-G206 PolarHBondContact O-N 3.46Å; E203-G206 VanDerWaalsContact O-N 3.16Å; L204-G206 VanDerWaalsContact C-N 3.34Å; G206-L210 VanDerWaalsContact O-CB 3.24Å; G206-L210 WeakPolarHBondContact O-CB 3.46Å; G206-L210 PolarHBondContact O-N 3.05Å |
| 207 | I | 85.5 | Confident | 88.1 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -53.5 | 173.6 | -64.2 | 165.3 | 0 | 0 | 0 | 110 | V92 Y115 E203 L204 Y209 L210 T211 | V92-I207 HydrophobicContact CG1-CD1 4.43Å; Y115-I207 HydrophobicContact CE2-CG2 3.99Å; E203-I207 PolarHBondContact O-N 2.87Å; E203-I207 VanDerWaalsContact O-N 3.11Å; L204-I207 PolarHBondContact O-N 2.98Å; I207-Y209 PolarHBondContact O-N 3.07Å; I207-L210 PolarHBondContact O-N 2.89Å; I207-T211 PolarHBondContact O-N 2.83Å; I207-T211 PolarHBondContact O-OG1 3Å |
| 208 | F | 89.4 | Confident | 88.5 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.9 | -48.9 | -177.7 | 177.2 | -90.3 | 0 | 0 | 0 | 113.2 | L119 F122 L204 A205 T211 Q212 | L119-F208 HydrophobicContact CD2-CB 4.24Å; L119-F208 HydrophobicContact CD2-CD2 3.9Å; L119-F208 HydrophobicContact CD2-CG 4.49Å; F122-F208 HydrophobicContact CB-CB 4.33Å; F122-F208 HydrophobicContact CB-CD2 4.1Å; F122-F208 HydrophobicContact CB-CG 4.36Å; F122-F208 HydrophobicContact CD1-CB 3.81Å; F122-F208 AromaticContact CD1-CD1 3.54Å; F122-F208 HydrophobicContact CD1-CD1 3.54Å; F122-F208 AromaticContact CD1-CD2 3.46Å; F122-F208 HydrophobicContact CD1-CD2 3.46Å; F122-F208 VanDerWaalsContact CD1-CD2 3.46Å; F122-F208 AromaticContact CD1-CE1 3.94Å; F122-F208 HydrophobicContact CD1-CE1 3.94Å; F122-F208 AromaticContact CD1-CE2 3.87Å; F122-F208 HydrophobicContact CD1-CE2 3.87Å; F122-F208 AromaticContact CD1-CG 3.28Å; F122-F208 HydrophobicContact CD1-CG 3.28Å; F122-F208 HydrophobicContact CD1-CZ 4.1Å; F122-F208 HydrophobicContact CD2-CB 4.42Å; F122-F208 HydrophobicContact CE1-CB 4.23Å; F122-F208 AromaticContact CE1-CD1 3.43Å; F122-F208 HydrophobicContact CE1-CD1 3.43Å; F122-F208 VanDerWaalsContact CE1-CD1 3.43Å; F122-F208 HydrophobicContact CE1-CD2 4.24Å; F122-F208 AromaticContact CE1-CE1 3.79Å; F122-F208 HydrophobicContact CE1-CE1 3.79Å; F122-F208 AromaticContact CE1-CG 3.7Å; F122-F208 HydrophobicContact CE1-CG 3.7Å; F122-F208 HydrophobicContact CE1-CZ 4.33Å; F122-F208 HydrophobicContact CG-CB 3.9Å; F122-F208 HydrophobicContact CG-CD1 4.47Å; F122-F208 HydrophobicContact CG-CD2 4.04Å; F122-F208 AromaticContact CG-CG 3.88Å; F122-F208 HydrophobicContact CG-CG 3.88Å; F122-F208 HydrophobicContact CZ-CD1 4.32Å; L204-F208 WeakPolarHBondContact O-CB 3.44Å; L204-F208 PolarHBondContact O-N 3.04Å; A205-F208 PolarHBondContact O-N 3.26Å; F208-T211 PolarHBondContact O-N 3.13Å; F208-Q212 HydrophobicContact CD1-CG 4.24Å; F208-Q212 HydrophobicContact CE1-CG 3.79Å; F208-Q212 HydrophobicContact CE2-CG 4.32Å; F208-Q212 HydrophobicContact CZ-CG 3.83Å; F208-Q212 WeakPolarHBondContact O-CG 3.43Å; F208-Q212 PolarHBondContact O-N 3.33Å |
| 209 | Y | 91.3 | Very high | 88.8 | Confident | 114 Ų | 114 | 63.4 Ų | 63.4 | 45% | 0.447 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.4 | -31.1 | -178.5 | -75.2 | -61.8 | 0 | 0 | 0 | 112.8 | F122 A205 I207 G213 | F122-Y209 HydrophobicContact CZ-CE2 4.15Å; A205-Y209 HydrophobicContact CB-CD2 4.25Å; A205-Y209 HydrophobicContact CB-CE2 4.33Å; A205-Y209 WeakPolarHBondContact O-CB 3.41Å; A205-Y209 WeakPolarHBondContact O-CD2 2.97Å; A205-Y209 PolarHBondContact O-N 2.87Å; I207-Y209 PolarHBondContact O-N 3.07Å; Y209-G213 PolarHBondContact O-N 3.15Å |
| 210 | L | 89.1 | Confident | 89 | Confident | 109 Ų | 109 | 63.3 Ų | 63.3 | 57% | 0.571 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 171.2 | -176.3 | 63.5 | 0 | 0 | 0 | 111.3 | G206 I207 G213 H214 | G206-L210 VanDerWaalsContact O-CB 3.24Å; G206-L210 WeakPolarHBondContact O-CB 3.46Å; G206-L210 PolarHBondContact O-N 3.05Å; I207-L210 PolarHBondContact O-N 2.89Å; L210-G213 PolarHBondContact O-N 3Å; L210-H214 PolarHBondContact O-CD2 3.04Å; L210-H214 PolarHBondContact O-N 3.31Å |
| 211 | T | 86.5 | Confident | 89.5 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.9 | -49.9 | 174.4 | -45.1 | 0 | 0 | 0 | 0 | 111.3 | Y115 L119 I207 F208 G213 H214 E215 | Y115-T211 HydrophobicContact CE1-CG2 3.95Å; Y115-T211 PolarHBondContact OH-OG1 3.25Å; L119-T211 HydrophobicContact CD1-CG2 4Å; L119-T211 HydrophobicContact CD2-CG2 4.4Å; I207-T211 PolarHBondContact O-N 2.83Å; I207-T211 PolarHBondContact O-OG1 3Å; F208-T211 PolarHBondContact O-N 3.13Å; T211-G213 VanDerWaalsContact C-N 3.28Å; T211-G213 PolarHBondContact O-N 2.97Å; T211-H214 PolarHBondContact O-N 3.4Å; T211-H214 VanDerWaalsContact O-N 3.15Å; T211-E215 PolarHBondContact O-N 2.97Å |
| 212 | Q | 89 | Confident | 90.1 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -33.4 | 178.3 | -69.2 | -65.6 | -80.4 | 0 | 0 | 112.5 | F208 E215 A216 | F208-Q212 HydrophobicContact CD1-CG 4.24Å; F208-Q212 HydrophobicContact CE1-CG 3.79Å; F208-Q212 HydrophobicContact CE2-CG 4.32Å; F208-Q212 HydrophobicContact CZ-CG 3.83Å; F208-Q212 WeakPolarHBondContact O-CG 3.43Å; F208-Q212 PolarHBondContact O-N 3.33Å; Q212-E215 VanDerWaalsContact NE2-CD 3.34Å; Q212-E215 PolarHBondContact NE2-OE2 3.2Å; Q212-A216 VanDerWaalsContact O-CB 3.25Å; Q212-A216 WeakPolarHBondContact O-CB 3.37Å; Q212-A216 PolarHBondContact O-N 3.34Å |
| 213 | G | 86.5 | Confident | 90.3 | Very high | 40 Ų | 40 | 68.6 Ų | 68.6 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | Y209 L210 T211 S217 | Y209-G213 PolarHBondContact O-N 3.15Å; L210-G213 PolarHBondContact O-N 3Å; T211-G213 VanDerWaalsContact C-N 3.28Å; T211-G213 PolarHBondContact O-N 2.97Å; G213-S217 VanDerWaalsContact O-CB 3.27Å; G213-S217 WeakPolarHBondContact O-CB 3.3Å; G213-S217 PolarHBondContact O-N 2.96Å |
| 214 | H | 86.9 | Confident | 90.7 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 174.5 | -70.4 | -57.6 | 0 | 0 | 0 | 112.6 | L210 T211 S217 M218 | L210-H214 PolarHBondContact O-CD2 3.04Å; L210-H214 PolarHBondContact O-N 3.31Å; T211-H214 PolarHBondContact O-N 3.4Å; T211-H214 VanDerWaalsContact O-N 3.15Å; H214-S217 PolarHBondContact O-N 3.47Å; H214-M218 WeakPolarHBondContact O-CG 3.49Å; H214-M218 PolarHBondContact O-N 2.9Å |
| 215 | E | 90 | Very high | 91.2 | Very high | 87 Ų | 87 | 71.3 Ų | 71.3 | 41% | 0.407 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 174.2 | -73.7 | 175.7 | -158.9 | 0 | 0 | 111.5 | T211 Q212 S217 M218 V219 | T211-E215 PolarHBondContact O-N 2.97Å; Q212-E215 VanDerWaalsContact NE2-CD 3.34Å; Q212-E215 PolarHBondContact NE2-OE2 3.2Å; E215-S217 PolarHBondContact O-N 3.12Å; E215-M218 HydrophobicContact CG-CE 4.42Å; E215-M218 PolarHBondContact O-N 3.43Å; E215-V219 WeakPolarHBondContact O-CG2 3.16Å; E215-V219 PolarHBondContact O-N 3.27Å |
| 216 | A | 92.5 | Very high | 91.6 | Very high | 52 Ų | 52 | 75.9 Ų | 75.9 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q212 M218 V219 C220 | Q212-A216 VanDerWaalsContact O-CB 3.25Å; Q212-A216 WeakPolarHBondContact O-CB 3.37Å; Q212-A216 PolarHBondContact O-N 3.34Å; A216-M218 PolarHBondContact O-N 2.93Å; A216-V219 PolarHBondContact O-N 3.07Å; A216-C220 WeakPolarHBondContact O-CB 3.19Å; A216-C220 PolarHBondContact O-N 2.86Å; A216-C220 PolarHBondContact O-SG 2.91Å; A216-C220 VanDerWaalsContact O-SG 3.34Å |
| 217 | S | 92.4 | Very high | 91.9 | Very high | 77 Ų | 77 | 74.8 Ų | 74.8 | 54% | 0.538 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | G213 H214 E215 V219 C220 A221 | G213-S217 VanDerWaalsContact O-CB 3.27Å; G213-S217 WeakPolarHBondContact O-CB 3.3Å; G213-S217 PolarHBondContact O-N 2.96Å; H214-S217 PolarHBondContact O-N 3.47Å; E215-S217 PolarHBondContact O-N 3.12Å; S217-V219 VanDerWaalsContact C-N 3.33Å; S217-V219 PolarHBondContact O-N 3.27Å; S217-C220 PolarHBondContact O-N 3Å; S217-A221 WeakPolarHBondContact O-CB 3.01Å; S217-A221 PolarHBondContact O-N 3.24Å |
| 218 | M | 91.5 | Very high | 92.4 | Very high | 124 Ų | 124 | 77.9 Ų | 77.9 | 61% | 0.611 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 174.6 | -71.7 | -173.8 | -66.3 | 0 | 0 | 112.4 | H214 E215 A216 A222 | H214-M218 WeakPolarHBondContact O-CG 3.49Å; H214-M218 PolarHBondContact O-N 2.9Å; E215-M218 HydrophobicContact CG-CE 4.42Å; E215-M218 PolarHBondContact O-N 3.43Å; A216-M218 PolarHBondContact O-N 2.93Å; M218-A222 WeakPolarHBondContact O-CB 3.04Å; M218-A222 PolarHBondContact O-N 3.27Å |
| 219 | V | 93.4 | Very high | 92.8 | Very high | 78 Ų | 78 | 83.1 Ų | 83.1 | 47% | 0.473 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 175.8 | 169 | 0 | 0 | 0 | 0 | 111.2 | E215 A216 S217 A221 A222 Y223 | E215-V219 WeakPolarHBondContact O-CG2 3.16Å; E215-V219 PolarHBondContact O-N 3.27Å; A216-V219 PolarHBondContact O-N 3.07Å; S217-V219 VanDerWaalsContact C-N 3.33Å; S217-V219 PolarHBondContact O-N 3.27Å; V219-A221 PolarHBondContact O-N 2.95Å; V219-A222 PolarHBondContact O-N 2.9Å; V219-Y223 HydrophobicContact CG1-CD2 3.67Å; V219-Y223 HydrophobicContact CG1-CE2 3.6Å; V219-Y223 VanDerWaalsContact O-CD2 3.28Å; V219-Y223 WeakPolarHBondContact O-CD2 3.34Å; V219-Y223 PolarHBondContact O-N 2.93Å |
| 220 | C | 94.6 | Very high | 93.1 | Very high | 70 Ų | 70 | 80.7 Ų | 80.7 | 47% | 0.473 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.8 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | A216 S217 A222 Y223 H224 | A216-C220 WeakPolarHBondContact O-CB 3.19Å; A216-C220 PolarHBondContact O-N 2.86Å; A216-C220 PolarHBondContact O-SG 2.91Å; A216-C220 VanDerWaalsContact O-SG 3.34Å; S217-C220 PolarHBondContact O-N 3Å; C220-A222 PolarHBondContact O-N 3.27Å; C220-Y223 PolarHBondContact O-N 3.44Å; C220-H224 PolarHBondContact O-N 3.12Å |
| 221 | A | 93.1 | Very high | 93.4 | Very high | 56 Ų | 56 | 77.9 Ų | 77.9 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S217 V219 Y223 H224 S225 | S217-A221 WeakPolarHBondContact O-CB 3.01Å; S217-A221 PolarHBondContact O-N 3.24Å; V219-A221 PolarHBondContact O-N 2.95Å; A221-Y223 PolarHBondContact O-N 3.12Å; A221-H224 PolarHBondContact O-N 2.89Å; A221-S225 PolarHBondContact O-N 3.48Å |
| 222 | A | 95.6 | Very high | 93.8 | Very high | 61 Ų | 61 | 81.6 Ų | 81.6 | 50% | 0.504 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M218 V219 C220 F226 | M218-A222 WeakPolarHBondContact O-CB 3.04Å; M218-A222 PolarHBondContact O-N 3.27Å; V219-A222 PolarHBondContact O-N 2.9Å; C220-A222 PolarHBondContact O-N 3.27Å; A222-F226 WeakPolarHBondContact O-CB 3.4Å; A222-F226 PolarHBondContact O-N 3.42Å |
| 223 | Y | 97.3 | Very high | 94.2 | Very high | 155 Ų | 155 | 82.8 Ų | 82.8 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.9 | -38.9 | 172.1 | -84.5 | -66.6 | 0 | 0 | 0 | 112.5 | V219 C220 A221 F226 G227 | V219-Y223 HydrophobicContact CG1-CD2 3.67Å; V219-Y223 HydrophobicContact CG1-CE2 3.6Å; V219-Y223 VanDerWaalsContact O-CD2 3.28Å; V219-Y223 WeakPolarHBondContact O-CD2 3.34Å; V219-Y223 PolarHBondContact O-N 2.93Å; C220-Y223 PolarHBondContact O-N 3.44Å; A221-Y223 PolarHBondContact O-N 3.12Å; Y223-F226 WeakPolarHBondContact O-CB 3.45Å; Y223-F226 PolarHBondContact O-N 2.84Å; Y223-G227 PolarHBondContact O-N 3.25Å |
| 224 | H | 95.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 84.2 Ų | 84.2 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.5 | -55 | 174.7 | -171.2 | -84.3 | 0 | 0 | 0 | 110.7 | C220 A221 F226 G227 E228 | C220-H224 PolarHBondContact O-N 3.12Å; A221-H224 PolarHBondContact O-N 2.89Å; H224-F226 PolarHBondContact O-N 2.97Å; H224-G227 CarbonylContact O-C 3.45Å; H224-G227 WeakPolarHBondContact O-CA 3.26Å; H224-G227 PolarHBondContact O-N 3.1Å; H224-E228 IonicContact CE1-OE1 3.1Å; H224-E228 PolarHBondContact CE1-OE1 2.93Å; H224-E228 IonicContact CE1-OE2 2.67Å; H224-E228 IonicContact ND1-OE1 2.65Å; H224-E228 IonicContact ND1-OE2 3.84Å; H224-E228 PolarHBondContact ND1-OE2 3.12Å; H224-E228 VanDerWaalsContact ND1-OE2 3.15Å; H224-E228 WeakPolarHBondContact O-CG 3.47Å; H224-E228 PolarHBondContact O-N 2.93Å |
| 225 | S | 96.1 | Very high | 95 | Very high | 55 Ų | 55 | 85.2 Ų | 85.2 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.5 | -8.2 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 114.6 | A221 E228 R229 | A221-S225 PolarHBondContact O-N 3.48Å; S225-E228 WeakPolarHBondContact CA-OE2 3.23Å; S225-E228 WeakPolarHBondContact CB-OE2 3.4Å; S225-E228 PolarHBondContact OG-OE2 3.07Å; S225-R229 WeakPolarHBondContact O-CG 3.39Å; S225-R229 PolarHBondContact O-NE 3.49Å; S225-R229 PolarHBondContact O-NH2 2.94Å |
| 226 | F | 96.9 | Very high | 95.3 | Very high | 103 Ų | 103 | 87.1 Ų | 87.1 | 45% | 0.452 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -78.5 | -44.2 | 161.4 | 179.4 | -112.3 | 0 | 0 | 0 | 111.3 | A222 Y223 H224 R229 L230 | A222-F226 WeakPolarHBondContact O-CB 3.4Å; A222-F226 PolarHBondContact O-N 3.42Å; Y223-F226 WeakPolarHBondContact O-CB 3.45Å; Y223-F226 PolarHBondContact O-N 2.84Å; H224-F226 PolarHBondContact O-N 2.97Å; F226-R229 PolarHBondContact O-N 3.24Å; F226-L230 HydrophobicContact CD1-CD1 4.06Å; F226-L230 HydrophobicContact CE1-CD1 3.53Å; F226-L230 HydrophobicContact CE1-CG 4.19Å; F226-L230 HydrophobicContact CE2-CD2 4.43Å; F226-L230 HydrophobicContact CE2-CG 4.34Å; F226-L230 HydrophobicContact CZ-CD1 3.78Å; F226-L230 HydrophobicContact CZ-CD2 4.21Å; F226-L230 HydrophobicContact CZ-CG 4.07Å; F226-L230 PolarHBondContact O-N 3.31Å |
| 227 | G | 97.2 | Very high | 95.3 | Very high | 21 Ų | 21 | 88.3 Ų | 88.3 | 22% | 0.216 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y223 H224 R229 L230 A231 | Y223-G227 PolarHBondContact O-N 3.25Å; H224-G227 CarbonylContact O-C 3.45Å; H224-G227 WeakPolarHBondContact O-CA 3.26Å; H224-G227 PolarHBondContact O-N 3.1Å; G227-R229 VanDerWaalsContact C-N 3.35Å; G227-R229 PolarHBondContact O-N 2.67Å; G227-L230 PolarHBondContact O-N 3.4Å; G227-A231 WeakPolarHBondContact O-CB 3.41Å; G227-A231 PolarHBondContact O-N 3.21Å |
| 228 | E | 96.2 | Very high | 95.4 | Very high | 88 Ų | 88 | 88.2 Ų | 88.2 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 174.1 | -67.3 | 173.3 | 121.1 | 0 | 0 | 111.7 | H224 S225 A231 N232 | H224-E228 IonicContact CE1-OE1 3.1Å; H224-E228 PolarHBondContact CE1-OE1 2.93Å; H224-E228 IonicContact CE1-OE2 2.67Å; H224-E228 IonicContact ND1-OE1 2.65Å; H224-E228 IonicContact ND1-OE2 3.84Å; H224-E228 PolarHBondContact ND1-OE2 3.12Å; H224-E228 VanDerWaalsContact ND1-OE2 3.15Å; H224-E228 WeakPolarHBondContact O-CG 3.47Å; H224-E228 PolarHBondContact O-N 2.93Å; S225-E228 WeakPolarHBondContact CA-OE2 3.23Å; S225-E228 WeakPolarHBondContact CB-OE2 3.4Å; S225-E228 PolarHBondContact OG-OE2 3.07Å; E228-A231 PolarHBondContact O-N 3.14Å; E228-N232 VanDerWaalsContact O-CG 3.24Å; E228-N232 PolarHBondContact O-N 3.4Å; E228-N232 PolarHBondContact O-OD1 3.3Å |
| 229 | R | 96.9 | Very high | 95.4 | Very high | 160 Ų | 160 | 85.8 Ų | 85.8 | 60% | 0.604 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.3 | -37.1 | 177.1 | -78.6 | 177.5 | -70.4 | 166.1 | 0.9 | 112.6 | S225 F226 G227 M233 | S225-R229 WeakPolarHBondContact O-CG 3.39Å; S225-R229 PolarHBondContact O-NE 3.49Å; S225-R229 PolarHBondContact O-NH2 2.94Å; F226-R229 PolarHBondContact O-N 3.24Å; G227-R229 VanDerWaalsContact C-N 3.35Å; G227-R229 PolarHBondContact O-N 2.67Å; R229-M233 VanDerWaalsContact O-CB 3.23Å; R229-M233 WeakPolarHBondContact O-CB 3.27Å; R229-M233 PolarHBondContact O-N 3.45Å |
| 230 | L | 97 | Very high | 95.4 | Very high | 62 Ų | 62 | 87 Ų | 87 | 33% | 0.325 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 172.9 | -72 | -178.3 | 0 | 0 | 0 | 111.9 | F226 G227 M233 S234 | F226-L230 HydrophobicContact CD1-CD1 4.06Å; F226-L230 HydrophobicContact CE1-CD1 3.53Å; F226-L230 HydrophobicContact CE1-CG 4.19Å; F226-L230 HydrophobicContact CE2-CD2 4.43Å; F226-L230 HydrophobicContact CE2-CG 4.34Å; F226-L230 HydrophobicContact CZ-CD1 3.78Å; F226-L230 HydrophobicContact CZ-CD2 4.21Å; F226-L230 HydrophobicContact CZ-CG 4.07Å; F226-L230 PolarHBondContact O-N 3.31Å; G227-L230 PolarHBondContact O-N 3.4Å; L230-M233 HydrophobicContact CD2-CE 3.82Å; L230-M233 PolarHBondContact O-N 3.12Å; L230-S234 WeakPolarHBondContact O-CB 3.44Å; L230-S234 PolarHBondContact O-N 3.25Å; L230-S234 PolarHBondContact O-OG 3.03Å |
| 231 | A | 95.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 90 Ų | 90 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -53.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G227 E228 M233 S234 E235 | G227-A231 WeakPolarHBondContact O-CB 3.41Å; G227-A231 PolarHBondContact O-N 3.21Å; E228-A231 PolarHBondContact O-N 3.14Å; A231-M233 VanDerWaalsContact C-N 3.32Å; A231-M233 PolarHBondContact O-N 2.94Å; A231-S234 PolarHBondContact O-N 3.35Å; A231-S234 PolarHBondContact O-OG 3.01Å; A231-E235 PolarHBondContact O-N 2.95Å |
| 232 | N | 96 | Very high | 94.9 | Very high | 89 Ų | 89 | 95.2 Ų | 95.2 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 177.8 | -62.9 | 3.5 | 0 | 0 | 0 | 111.7 | E228 S234 E235 E236 | E228-N232 VanDerWaalsContact O-CG 3.24Å; E228-N232 PolarHBondContact O-N 3.4Å; E228-N232 PolarHBondContact O-OD1 3.3Å; N232-S234 VanDerWaalsContact C-N 3.32Å; N232-S234 PolarHBondContact O-N 3.34Å; N232-E235 WeakPolarHBondContact O-CB 3.11Å; N232-E235 PolarHBondContact O-N 2.8Å; N232-E236 WeakPolarHBondContact O-CG 3.37Å; N232-E236 PolarHBondContact O-N 2.91Å |
| 233 | M | 96.5 | Very high | 94.5 | Very high | 104 Ų | 104 | 98.9 Ų | 98.9 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -33.3 | 176.3 | -171.9 | -179.5 | 72.3 | 0 | 0 | 112.4 | R229 L230 A231 C237 | R229-M233 VanDerWaalsContact O-CB 3.23Å; R229-M233 WeakPolarHBondContact O-CB 3.27Å; R229-M233 PolarHBondContact O-N 3.45Å; L230-M233 HydrophobicContact CD2-CE 3.82Å; L230-M233 PolarHBondContact O-N 3.12Å; A231-M233 VanDerWaalsContact C-N 3.32Å; A231-M233 PolarHBondContact O-N 2.94Å; M233-C237 WeakPolarHBondContact O-CB 3.49Å; M233-C237 PolarHBondContact O-N 2.96Å; M233-C237 PolarHBondContact O-SG 3.22Å |
| 234 | S | 95.9 | Very high | 93.5 | Very high | 70 Ų | 70 | 95.1 Ų | 95.1 | 49% | 0.49 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.4 | -32.5 | 174.5 | 75.5 | 0 | 0 | 0 | 0 | 112.7 | L230 A231 N232 S238 | L230-S234 WeakPolarHBondContact O-CB 3.44Å; L230-S234 PolarHBondContact O-N 3.25Å; L230-S234 PolarHBondContact O-OG 3.03Å; A231-S234 PolarHBondContact O-N 3.35Å; A231-S234 PolarHBondContact O-OG 3.01Å; N232-S234 VanDerWaalsContact C-N 3.32Å; N232-S234 PolarHBondContact O-N 3.34Å; S234-S238 WeakPolarHBondContact O-CB 3.05Å; S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 VanDerWaalsContact O-N 3.08Å; S234-S238 PolarHBondContact O-OG 3.29Å |
| 235 | E | 94.8 | Very high | 92.5 | Very high | 130 Ų | 130 | 96.1 Ų | 96.1 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.7 | -51.8 | 171.1 | -170.2 | 170.9 | -164.8 | 0 | 0 | 110 | A231 N232 C237 S238 D239 | A231-E235 PolarHBondContact O-N 2.95Å; N232-E235 WeakPolarHBondContact O-CB 3.11Å; N232-E235 PolarHBondContact O-N 2.8Å; E235-C237 VanDerWaalsContact C-N 3.33Å; E235-C237 PolarHBondContact O-N 3.45Å; E235-S238 WeakPolarHBondContact O-CA 3.25Å; E235-S238 WeakPolarHBondContact O-CB 3.48Å; E235-S238 PolarHBondContact O-N 3.37Å; E235-D239 WeakPolarHBondContact O-CB 3.5Å; E235-D239 PolarHBondContact O-N 3.19Å |
| 236 | E | 94.9 | Very high | 90.9 | Very high | 128 Ų | 128 | 98.9 Ų | 98.9 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -54.2 | -44.1 | 174.7 | -74.3 | 179.2 | -164.2 | 0 | 0 | 112.8 | N232 S238 D239 L240 | N232-E236 WeakPolarHBondContact O-CG 3.37Å; N232-E236 PolarHBondContact O-N 2.91Å; E236-S238 VanDerWaalsContact C-N 3.35Å; E236-S238 PolarHBondContact O-N 3.25Å; E236-D239 PolarHBondContact O-N 3.29Å; E236-L240 WeakPolarHBondContact O-CB 3.4Å; E236-L240 VanDerWaalsContact O-CG 3.25Å; E236-L240 WeakPolarHBondContact O-CG 3.27Å; E236-L240 PolarHBondContact O-N 2.89Å |
| 237 | C | 93.8 | Very high | 89.4 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 52% | 0.52 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 175.3 | -79.1 | 0 | 0 | 0 | 0 | 112.9 | M233 E235 L241 | M233-C237 WeakPolarHBondContact O-CB 3.49Å; M233-C237 PolarHBondContact O-N 2.96Å; M233-C237 PolarHBondContact O-SG 3.22Å; E235-C237 VanDerWaalsContact C-N 3.33Å; E235-C237 PolarHBondContact O-N 3.45Å; C237-L241 WeakPolarHBondContact O-CB 3.22Å; C237-L241 PolarHBondContact O-N 3.17Å |
| 238 | S | 93.3 | Very high | 87.6 | Confident | 75 Ų | 75 | 103.2 Ų | 103.2 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.6 | -44.1 | 176 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | S234 E235 E236 L240 L241 E242 | S234-S238 WeakPolarHBondContact O-CB 3.05Å; S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 VanDerWaalsContact O-N 3.08Å; S234-S238 PolarHBondContact O-OG 3.29Å; E235-S238 WeakPolarHBondContact O-CA 3.25Å; E235-S238 WeakPolarHBondContact O-CB 3.48Å; E235-S238 PolarHBondContact O-N 3.37Å; E236-S238 VanDerWaalsContact C-N 3.35Å; E236-S238 PolarHBondContact O-N 3.25Å; S238-L240 VanDerWaalsContact C-N 3.3Å; S238-L240 PolarHBondContact O-N 2.9Å; S238-L241 WeakPolarHBondContact O-CB 3.39Å; S238-L241 PolarHBondContact O-N 2.85Å; S238-L241 VanDerWaalsContact O-N 3.13Å; S238-E242 PolarHBondContact O-N 3.16Å |
| 239 | D | 92.6 | Very high | 85.8 | Confident | 73 Ų | 73 | 105.1 Ų | 105.1 | 39% | 0.39 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.6 | -37.5 | 175.5 | -122.1 | 46.5 | 0 | 0 | 0 | 111.9 | E235 E236 K243 | E235-D239 WeakPolarHBondContact O-CB 3.5Å; E235-D239 PolarHBondContact O-N 3.19Å; E236-D239 PolarHBondContact O-N 3.29Å; D239-K243 VanDerWaalsContact CG-NZ 3.33Å; D239-K243 WeakPolarHBondContact O-CD 3.42Å; D239-K243 VanDerWaalsContact O-CE 3.23Å; D239-K243 WeakPolarHBondContact O-CE 3.25Å; D239-K243 WeakPolarHBondContact O-CG 3.33Å; D239-K243 PolarHBondContact O-N 2.96Å; D239-K243 IonicContact OD2-NZ 3.59Å; D239-K243 PolarHBondContact OD2-NZ 2.92Å |
| 240 | L | 92.1 | Very high | 83.5 | Confident | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.1 | -35.1 | 174.2 | -73.9 | 169.7 | 0 | 0 | 0 | 112.2 | E236 S238 K243 C244 | E236-L240 WeakPolarHBondContact O-CB 3.4Å; E236-L240 VanDerWaalsContact O-CG 3.25Å; E236-L240 WeakPolarHBondContact O-CG 3.27Å; E236-L240 PolarHBondContact O-N 2.89Å; S238-L240 VanDerWaalsContact C-N 3.3Å; S238-L240 PolarHBondContact O-N 2.9Å; L240-K243 PolarHBondContact O-N 3.05Å; L240-C244 PolarHBondContact O-N 3.49Å; L240-C244 PolarHBondContact O-SG 2.96Å |
| 241 | L | 90.5 | Very high | 81.2 | Confident | 134 Ų | 134 | 106.6 Ų | 106.6 | 70% | 0.702 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.3 | -37.6 | 175.8 | -173.9 | 63.7 | 0 | 0 | 0 | 111.9 | C237 S238 C244 | C237-L241 WeakPolarHBondContact O-CB 3.22Å; C237-L241 PolarHBondContact O-N 3.17Å; S238-L241 WeakPolarHBondContact O-CB 3.39Å; S238-L241 PolarHBondContact O-N 2.85Å; S238-L241 VanDerWaalsContact O-N 3.13Å; L241-C244 PolarHBondContact O-N 3.39Å |
| 242 | E | 88.2 | Confident | 78.8 | Confident | 166 Ų | 166 | 113 Ų | 113 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68 | -36.1 | 172.8 | -173.9 | 174.3 | -171.9 | 0 | 0 | 112.4 | S238 | S238-E242 PolarHBondContact O-N 3.16Å |
| 243 | K | 86.3 | Confident | 76.5 | Confident | 138 Ų | 138 | 117.2 Ų | 117.2 | 60% | 0.6 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.3 | -19.1 | 177.8 | -68.6 | 160.9 | -158.1 | 155.5 | 0 | 113.5 | D239 L240 | D239-K243 VanDerWaalsContact CG-NZ 3.33Å; D239-K243 WeakPolarHBondContact O-CD 3.42Å; D239-K243 VanDerWaalsContact O-CE 3.23Å; D239-K243 WeakPolarHBondContact O-CE 3.25Å; D239-K243 WeakPolarHBondContact O-CG 3.33Å; D239-K243 PolarHBondContact O-N 2.96Å; D239-K243 IonicContact OD2-NZ 3.59Å; D239-K243 PolarHBondContact OD2-NZ 2.92Å; L240-K243 PolarHBondContact O-N 3.05Å |
| 244 | C | 76 | Confident | 74.3 | Confident | 76 Ų | 76 | 117.9 Ų | 117.9 | 51% | 0.514 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -68.4 | 130.4 | 174.9 | -83.2 | 0 | 0 | 0 | 0 | 110.5 | L240 L241 S246 | L240-C244 PolarHBondContact O-N 3.49Å; L240-C244 PolarHBondContact O-SG 2.96Å; L241-C244 PolarHBondContact O-N 3.39Å; C244-S246 PolarHBondContact O-N 3.23Å |
| 245 | P | 74.7 | Confident | 71.8 | Confident | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 68% | 0.678 | S | S | * | * | trans | -65.2 | 110.2 | 175.8 | 26.9 | -33.2 | 0 | 0 | 0 | 109.4 | V247 | P245-V247 PolarHBondContact O-N 2.65Š| ||
| 246 | S | 62.9 | Low | 69.6 | Low | 114 Ų | 114 | 123.4 Ų | 123.4 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | -50.6 | 110.7 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | C244 P248 | C244-S246 PolarHBondContact O-N 3.23Å; S246-P248 VanDerWaalsContact O-CD 3.29Å; S246-P248 WeakPolarHBondContact O-CD 3.44Å; S246-P248 VanDerWaalsContact O-N 3.16Å | ||
| 247 | V | 65.3 | Low | 67.1 | Low | 115 Ų | 115 | 125.2 Ų | 125.2 | 70% | 0.697 | 70% | 0.703 | S | S | * | * | trans | -66.4 | 114.2 | 179 | -179.4 | 0 | 0 | 0 | 0 | 106.9 | P245 | P245-V247 PolarHBondContact O-N 2.65Š| ||
| 248 | P | 60.9 | Low | 65.1 | Low | 100 Ų | 100 | 125.2 Ų | 125.2 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | trans | -61.4 | 137.1 | -179.9 | 26.6 | -33.9 | 0 | 0 | 0 | 108.4 | S246 T250 | S246-P248 VanDerWaalsContact O-CD 3.29Å; S246-P248 WeakPolarHBondContact O-CD 3.44Å; S246-P248 VanDerWaalsContact O-N 3.16Å; P248-T250 PolarHBondContact O-N 2.81Å | ||
| 249 | P | 56.9 | Low | 62.6 | Low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | trans | -58.4 | 111.5 | -170.6 | 21.9 | -33.4 | 0 | 0 | 0 | 110.6 | N251 | P249-N251 PolarHBondContact O-N 3.37Å; P249-N251 VanDerWaalsContact O-N 3.08Å | ||
| 250 | T | 49.6 | Very low | 60.5 | Low | 116 Ų | 116 | 133.3 Ų | 133.3 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | -60.1 | 114.3 | -177.9 | -47.4 | 0 | 0 | 0 | 0 | 108.8 | P248 E252 | P248-T250 PolarHBondContact O-N 2.81Å; T250-E252 PolarHBondContact O-N 3.45Å | ||
| 251 | N | 48.1 | Very low | 58.2 | Low | 138 Ų | 138 | 135.1 Ų | 135.1 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -78 | 83.5 | -168.9 | -172.4 | 8.2 | 0 | 0 | 0 | 110.9 | P249 K253 | P249-N251 PolarHBondContact O-N 3.37Å; P249-N251 VanDerWaalsContact O-N 3.08Å; N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 3.02Å | ||
| 252 | E | 45.1 | Very low | 56.5 | Low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -67.3 | 76.9 | -177.7 | -65.3 | -162.6 | 145.7 | 0 | 0 | 113.1 | T250 | T250-E252 PolarHBondContact O-N 3.45Š| ||
| 253 | K | 48 | Very low | 54.6 | Low | 177 Ų | 177 | 132.3 Ų | 132.3 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -141.8 | 65.2 | 174.7 | -71.7 | -169 | 175.4 | 176.1 | 0 | 113.3 | N251 | N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 3.02Å | ||
| 254 | S | 49.6 | Very low | 52.2 | Low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -177.8 | 95.6 | 155.1 | -77.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 255 | Q | 43.7 | Very low | 51.1 | Low | 182 Ų | 182 | 137.1 Ų | 137.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | 53.6 | 92.1 | 65.1 | -164.3 | -177.1 | 6.7 | 0 | 0 | 114.1 | |||||
| 256 | T | 49.2 | Very low | 49.7 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | -170.7 | 155.9 | 128.1 | 14.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 257 | D | 42.7 | Very low | 48.6 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -73.5 | 136.4 | -169.4 | -55.2 | -101.9 | 0 | 0 | 0 | 114.2 | ||||
| 258 | G | 51.2 | Low | 47.4 | Very low | 78 Ų | 78 | 136.1 Ų | 136.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -146 | 70.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C260 | G258-C260 PolarHBondContact O-N 2.89Š| ||
| 259 | K | 41.3 | Very low | 46.4 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -75.6 | 113.6 | -176.3 | 179.1 | 174.5 | 179 | 172 | 0 | 112.6 | ||||
| 260 | C | 48.4 | Very low | 45.6 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -151.2 | 132.6 | 163.6 | -152.7 | 0 | 0 | 0 | 0 | 111.3 | G258 | G258-C260 PolarHBondContact O-N 2.89Š| ||
| 261 | D | 42.9 | Very low | 45.2 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -82.1 | 135.5 | -178.9 | -66.3 | -78.4 | 0 | 0 | 0 | 112.1 | ||||
| 262 | S | 55.5 | Low | 45 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -158.1 | 150.8 | 162.1 | -84.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 263 | P | 47.5 | Very low | 45.1 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -72.3 | 139.9 | -158.5 | 26.2 | -34.8 | 0 | 0 | 0 | 114.6 | V265 | P263-V265 PolarHBondContact O-N 3.05Š| ||
| 264 | Q | 37.9 | Very low | 45.7 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -69.7 | 112.1 | -175.8 | -177 | 179.3 | 3.8 | 0 | 0 | 112.4 | ||||
| 265 | V | 51.9 | Low | 46.5 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | -93.5 | 130.9 | 163.6 | -173 | 0 | 0 | 0 | 0 | 108.2 | P263 S267 | P263-V265 PolarHBondContact O-N 3.05Å; V265-S267 PolarHBondContact O-N 3.01Å | ||
| 266 | P | 45.8 | Very low | 48.2 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -68.3 | 102.6 | 177.4 | -18.8 | 32.2 | 0 | 0 | 0 | 111.1 | A268 | P266-A268 PolarHBondContact O-N 3.23Å; P266-A268 VanDerWaalsContact O-N 3.15Å | ||
| 267 | S | 38.8 | Very low | 49.4 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -67.5 | 109.2 | 169.3 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | V265 S269 | V265-S267 PolarHBondContact O-N 3.01Å; S267-S269 PolarHBondContact O-N 3.21Å | ||
| 268 | A | 40.9 | Very low | 50.8 | Low | 108 Ų | 108 | 120.6 Ų | 120.6 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | trans | -77.3 | 57.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P266 | P266-A268 PolarHBondContact O-N 3.23Å; P266-A268 VanDerWaalsContact O-N 3.15Å | ||
| 269 | S | 38.9 | Very low | 51.8 | Low | 101 Ų | 101 | 119.4 Ų | 119.4 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | trans | -106.3 | 57.7 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | S267 | S267-S269 PolarHBondContact O-N 3.21Š| ||
| 270 | A | 40.4 | Very low | 53.5 | Low | 89 Ų | 89 | 116.7 Ų | 116.7 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | trans | -84.6 | 123.8 | 168 | 0 | 0 | 0 | 0 | 0 | 108.6 | V272 | A270-V272 PolarHBondContact O-N 2.96Š| ||
| 271 | S | 41.4 | Very low | 54.8 | Low | 108 Ų | 108 | 116.6 Ų | 116.6 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -61.3 | 121.9 | 169.3 | 45.9 | 0 | 0 | 0 | 0 | 109.4 | E273 | S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 PolarHBondContact O-N 3.13Å | ||
| 272 | V | 44.8 | Very low | 56.3 | Low | 134 Ų | 134 | 113.7 Ų | 113.7 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | trans | -72 | 92 | 166.5 | 177.9 | 0 | 0 | 0 | 0 | 106.9 | A270 E274 | A270-V272 PolarHBondContact O-N 2.96Å; V272-E274 PolarHBondContact O-N 3.39Å; V272-E274 VanDerWaalsContact O-N 3.12Å | ||
| 273 | E | 47.4 | Very low | 57.4 | Low | 176 Ų | 176 | 115.4 Ų | 115.4 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | trans | -70.5 | 98.8 | 169.3 | -169.9 | 168.1 | -171.1 | 0 | 0 | 107.1 | S271 D275 | S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 PolarHBondContact O-N 3.13Å; E273-D275 PolarHBondContact O-N 2.9Å | ||
| 274 | E | 59 | Low | 58.9 | Low | 161 Ų | 161 | 112.3 Ų | 112.3 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | trans | -58.2 | 124 | 178.6 | -65.5 | -173.5 | 120.9 | 0 | 0 | 109.6 | V272 P276 | V272-E274 PolarHBondContact O-N 3.39Å; V272-E274 VanDerWaalsContact O-N 3.12Å; E274-P276 VanDerWaalsContact O-CD 3.25Å; E274-P276 WeakPolarHBondContact O-CD 3.24Å | ||
| 275 | D | 66.2 | Low | 60.5 | Low | 89 Ų | 89 | 107.4 Ų | 107.4 | 48% | 0.476 | 64% | 0.64 | S | S | . | * | trans | -57.6 | 114 | -177.6 | 179.2 | -3.6 | 0 | 0 | 0 | 109.9 | E273 V277 L278 A279 | E273-D275 PolarHBondContact O-N 2.9Å; D275-V277 PolarHBondContact O-N 3.37Å; D275-V277 VanDerWaalsContact O-N 3.13Å; D275-V277 VanDerWaalsContact OD1-CB 3.25Å; D275-V277 WeakPolarHBondContact OD1-CB 3.47Å; D275-V277 WeakPolarHBondContact OD1-CG2 3.47Å; D275-V277 PolarHBondContact OD1-N 2.89Å; D275-L278 HydrophobicContact CB-CB 4.06Å; D275-L278 PolarHBondContact O-N 3.19Å; D275-A279 PolarHBondContact O-N 2.92Å | ||
| 276 | P | 79.9 | Confident | 61.5 | Low | 79 Ų | 79 | 105.7 Ų | 105.7 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65 | -19.8 | -177.3 | 27.2 | -35.1 | 0 | 0 | 0 | 112.1 | E274 Q280 | E274-P276 VanDerWaalsContact O-CD 3.25Å; E274-P276 WeakPolarHBondContact O-CD 3.24Å; P276-Q280 VanDerWaalsContact O-CB 3.28Å; P276-Q280 WeakPolarHBondContact O-CB 3.11Å; P276-Q280 WeakPolarHBondContact O-CG 3.18Å; P276-Q280 PolarHBondContact O-N 3.07Å |
| 277 | V | 75.6 | Confident | 62.9 | Low | 87 Ų | 87 | 103.2 Ų | 103.2 | 53% | 0.527 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.3 | -43.9 | 172.6 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | D275 Q280 Q281 | D275-V277 PolarHBondContact O-N 3.37Å; D275-V277 VanDerWaalsContact O-N 3.13Å; D275-V277 VanDerWaalsContact OD1-CB 3.25Å; D275-V277 WeakPolarHBondContact OD1-CB 3.47Å; D275-V277 WeakPolarHBondContact OD1-CG2 3.47Å; D275-V277 PolarHBondContact OD1-N 2.89Å; V277-Q280 PolarHBondContact O-N 2.73Å; V277-Q281 WeakPolarHBondContact O-CG 3.22Å; V277-Q281 PolarHBondContact O-N 3.32Å |
| 278 | L | 71.9 | Confident | 64.5 | Low | 92 Ų | 92 | 101.1 Ų | 101.1 | 48% | 0.482 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.8 | -43.6 | 177.3 | -174.4 | 62.3 | 0 | 0 | 0 | 111.3 | D275 Q280 Q281 I282 | D275-L278 HydrophobicContact CB-CB 4.06Å; D275-L278 PolarHBondContact O-N 3.19Å; L278-Q280 VanDerWaalsContact C-N 3.31Å; L278-Q280 PolarHBondContact O-N 3.05Å; L278-Q281 PolarHBondContact O-N 3.49Å; L278-I282 HydrophobicContact CD1-CD1 4.37Å; L278-I282 HydrophobicContact CG-CD1 4.06Å; L278-I282 WeakPolarHBondContact O-CG1 3.35Å; L278-I282 PolarHBondContact O-N 3.05Å |
| 279 | A | 71.7 | Confident | 65.6 | Low | 52 Ų | 52 | 98.9 Ų | 98.9 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.5 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D275 K283 | D275-A279 PolarHBondContact O-N 2.92Å; A279-K283 VanDerWaalsContact O-CB 3.29Å; A279-K283 WeakPolarHBondContact O-CB 3.27Å; A279-K283 PolarHBondContact O-N 2.96Å |
| 280 | Q | 77 | Confident | 66.8 | Low | 139 Ų | 139 | 103.3 Ų | 103.3 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.6 | -38.9 | 173.6 | -77 | 176 | 40.9 | 0 | 0 | 112.9 | P276 V277 L278 K283 A284 | P276-Q280 VanDerWaalsContact O-CB 3.28Å; P276-Q280 WeakPolarHBondContact O-CB 3.11Å; P276-Q280 WeakPolarHBondContact O-CG 3.18Å; P276-Q280 PolarHBondContact O-N 3.07Å; V277-Q280 PolarHBondContact O-N 2.73Å; L278-Q280 VanDerWaalsContact C-N 3.31Å; L278-Q280 PolarHBondContact O-N 3.05Å; Q280-K283 PolarHBondContact O-N 3.38Å; Q280-A284 VanDerWaalsContact O-CB 3.29Å; Q280-A284 WeakPolarHBondContact O-CB 3.35Å; Q280-A284 PolarHBondContact O-N 3.43Å |
| 281 | Q | 74.7 | Confident | 67.9 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.5 | -48.5 | 174.7 | -80.2 | -173.4 | -16.5 | 0 | 0 | 111.9 | V277 L278 K283 A284 V285 | V277-Q281 WeakPolarHBondContact O-CG 3.22Å; V277-Q281 PolarHBondContact O-N 3.32Å; L278-Q281 PolarHBondContact O-N 3.49Å; Q281-K283 VanDerWaalsContact C-N 3.31Å; Q281-K283 PolarHBondContact O-N 3.04Å; Q281-A284 PolarHBondContact O-N 3.42Å; Q281-A284 VanDerWaalsContact O-N 3.14Å; Q281-V285 WeakPolarHBondContact O-CG2 3.49Å; Q281-V285 PolarHBondContact O-N 2.68Å |
| 282 | I | 76.3 | Confident | 68.5 | Low | 79 Ų | 79 | 107.7 Ų | 107.7 | 41% | 0.405 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.8 | -45.4 | 177 | -67.1 | 166.1 | 0 | 0 | 0 | 110 | L278 A284 V285 L286 | L278-I282 HydrophobicContact CD1-CD1 4.37Å; L278-I282 HydrophobicContact CG-CD1 4.06Å; L278-I282 WeakPolarHBondContact O-CG1 3.35Å; L278-I282 PolarHBondContact O-N 3.05Å; I282-A284 VanDerWaalsContact C-N 3.33Å; I282-A284 PolarHBondContact O-N 3.17Å; I282-V285 PolarHBondContact O-N 3.04Å; I282-L286 HydrophobicContact CG2-CD1 3.95Å; I282-L286 WeakPolarHBondContact O-CG 3.4Å; I282-L286 PolarHBondContact O-N 3.48Å |
| 283 | K | 78.1 | Confident | 69 | Low | 151 Ų | 151 | 108.7 Ų | 108.7 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.4 | -35 | 177.1 | -169.9 | 169.2 | -175.7 | 170.8 | 0 | 113 | A279 Q280 Q281 S287 | A279-K283 VanDerWaalsContact O-CB 3.29Å; A279-K283 WeakPolarHBondContact O-CB 3.27Å; A279-K283 PolarHBondContact O-N 2.96Å; Q280-K283 PolarHBondContact O-N 3.38Å; Q281-K283 VanDerWaalsContact C-N 3.31Å; Q281-K283 PolarHBondContact O-N 3.04Å; K283-S287 VanDerWaalsContact O-CB 3.27Å; K283-S287 WeakPolarHBondContact O-CB 3.38Å; K283-S287 PolarHBondContact O-N 2.92Å; K283-S287 PolarHBondContact O-OG 2.92Å |
| 284 | A | 78 | Confident | 69.3 | Low | 61 Ų | 61 | 106.9 Ų | 106.9 | 50% | 0.504 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.3 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q280 Q281 I282 S287 A288 | Q280-A284 VanDerWaalsContact O-CB 3.29Å; Q280-A284 WeakPolarHBondContact O-CB 3.35Å; Q280-A284 PolarHBondContact O-N 3.43Å; Q281-A284 PolarHBondContact O-N 3.42Å; Q281-A284 VanDerWaalsContact O-N 3.14Å; I282-A284 VanDerWaalsContact C-N 3.33Å; I282-A284 PolarHBondContact O-N 3.17Å; A284-S287 PolarHBondContact O-N 3.26Å; A284-A288 PolarHBondContact O-N 3.49Å |
| 285 | V | 72.8 | Confident | 68.9 | Low | 86 Ų | 86 | 103.9 Ų | 103.9 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 175 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | Q281 I282 S287 A288 M289 | Q281-V285 WeakPolarHBondContact O-CG2 3.49Å; Q281-V285 PolarHBondContact O-N 2.68Å; I282-V285 PolarHBondContact O-N 3.04Å; V285-S287 PolarHBondContact O-N 3.48Å; V285-A288 WeakPolarHBondContact O-CB 3.36Å; V285-A288 PolarHBondContact O-N 2.92Å; V285-M289 HydrophobicContact CG1-SD 4.11Å; V285-M289 WeakPolarHBondContact O-CG 3.44Å; V285-M289 PolarHBondContact O-N 2.91Å |
| 286 | L | 72 | Confident | 68.3 | Low | 88 Ų | 88 | 108.4 Ų | 108.4 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.8 | -32.5 | 177.3 | -67.4 | 171 | 0 | 0 | 0 | 112.8 | I282 R290 | I282-L286 HydrophobicContact CG2-CD1 3.95Å; I282-L286 WeakPolarHBondContact O-CG 3.4Å; I282-L286 PolarHBondContact O-N 3.48Å; L286-R290 PolarHBondContact O-N 3.05Å |
| 287 | S | 76 | Confident | 66.8 | Low | 66 Ų | 66 | 109 Ų | 109 | 46% | 0.462 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.8 | -19.7 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 113.7 | K283 A284 V285 | K283-S287 VanDerWaalsContact O-CB 3.27Å; K283-S287 WeakPolarHBondContact O-CB 3.38Å; K283-S287 PolarHBondContact O-N 2.92Å; K283-S287 PolarHBondContact O-OG 2.92Å; A284-S287 PolarHBondContact O-N 3.26Å; V285-S287 PolarHBondContact O-N 3.48Å |
| 288 | A | 71.7 | Confident | 65.4 | Low | 57 Ų | 57 | 109.7 Ų | 109.7 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -80 | -47.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A284 V285 R290 K291 E292 | A284-A288 PolarHBondContact O-N 3.49Å; V285-A288 WeakPolarHBondContact O-CB 3.36Å; V285-A288 PolarHBondContact O-N 2.92Å; A288-R290 PolarHBondContact O-N 2.98Å; A288-K291 WeakPolarHBondContact O-CA 3.5Å; A288-K291 WeakPolarHBondContact O-CB 3.45Å; A288-K291 PolarHBondContact O-N 3.37Å; A288-E292 PolarHBondContact O-N 3.09Å |
| 289 | M | 63.2 | Low | 64.2 | Low | 60 Ų | 60 | 112.2 Ų | 112.2 | 30% | 0.296 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.4 | -45.1 | 178.8 | -67.1 | 177.1 | 72.2 | 0 | 0 | 112.3 | V285 K291 E292 E293 | V285-M289 HydrophobicContact CG1-SD 4.11Å; V285-M289 WeakPolarHBondContact O-CG 3.44Å; V285-M289 PolarHBondContact O-N 2.91Å; M289-K291 PolarHBondContact O-N 2.86Å; M289-K291 VanDerWaalsContact O-N 3.14Å; M289-E292 WeakPolarHBondContact O-CB 3.29Å; M289-E292 PolarHBondContact O-N 2.89Å; M289-E293 PolarHBondContact O-N 2.83Å |
| 290 | R | 65.5 | Low | 62.9 | Low | 195 Ų | 195 | 117.9 Ų | 117.9 | 74% | 0.736 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.5 | -16.5 | 174.5 | -84.7 | -166.5 | -175.9 | -177.2 | 3.4 | 115 | L286 A288 | L286-R290 PolarHBondContact O-N 3.05Å; A288-R290 PolarHBondContact O-N 2.98Å |
| 291 | K | 62.3 | Low | 61.4 | Low | 142 Ų | 142 | 119.9 Ų | 119.9 | 62% | 0.617 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -89.4 | -19.7 | 171.6 | -75.6 | -177.7 | 171.6 | -173.6 | 0 | 112.4 | A288 M289 N295 | A288-K291 WeakPolarHBondContact O-CA 3.5Å; A288-K291 WeakPolarHBondContact O-CB 3.45Å; A288-K291 PolarHBondContact O-N 3.37Å; M289-K291 PolarHBondContact O-N 2.86Å; M289-K291 VanDerWaalsContact O-N 3.14Å; K291-N295 WeakPolarHBondContact O-CB 3.47Å; K291-N295 PolarHBondContact O-N 3.14Å; K291-N295 PolarHBondContact O-ND2 3.17Å |
| 292 | E | 54.9 | Low | 60 | Low | 146 Ų | 146 | 121.1 Ų | 121.1 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.4 | -43.5 | -179.7 | -152.9 | 154.1 | -152.5 | 0 | 0 | 110.2 | A288 M289 D294 N295 E296 | A288-E292 PolarHBondContact O-N 3.09Å; M289-E292 WeakPolarHBondContact O-CB 3.29Å; M289-E292 PolarHBondContact O-N 2.89Å; E292-D294 VanDerWaalsContact C-N 3.31Å; E292-D294 PolarHBondContact O-N 2.93Å; E292-N295 PolarHBondContact O-N 2.93Å; E292-E296 PolarHBondContact O-N 3.04Å |
| 293 | E | 54.9 | Low | 58.8 | Low | 156 Ų | 156 | 125.8 Ų | 125.8 | 73% | 0.729 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -54.9 | -40.9 | 169.3 | -83.9 | -177.9 | 127.2 | 0 | 0 | 113.1 | M289 N295 | M289-E293 PolarHBondContact O-N 2.83Å; E293-N295 VanDerWaalsContact C-N 3.3Å; E293-N295 PolarHBondContact O-N 2.71Å |
| 294 | D | 53.7 | Low | 57.5 | Low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -10.3 | 178.1 | -86.2 | -19.5 | 0 | 0 | 0 | 113.7 | E292 | E292-D294 VanDerWaalsContact C-N 3.31Å; E292-D294 PolarHBondContact O-N 2.93Å |
| 295 | N | 51.8 | Low | 56.2 | Low | 97 Ų | 97 | 133.4 Ų | 133.4 | 52% | 0.519 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111 | -5.9 | -178.1 | -81.1 | -83.5 | 0 | 0 | 0 | 114.5 | K291 E292 E293 A297 V298 | K291-N295 WeakPolarHBondContact O-CB 3.47Å; K291-N295 PolarHBondContact O-N 3.14Å; K291-N295 PolarHBondContact O-ND2 3.17Å; E292-N295 PolarHBondContact O-N 2.93Å; E293-N295 VanDerWaalsContact C-N 3.3Å; E293-N295 PolarHBondContact O-N 2.71Å; N295-A297 PolarHBondContact O-N 2.88Å; N295-V298 PolarHBondContact O-N 3.48Å |
| 296 | E | 52.3 | Low | 54.9 | Low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -2.9 | 177.2 | -137.7 | 177.1 | -157.9 | 0 | 0 | 113.6 | E292 | E292-E296 PolarHBondContact O-N 3.04Š|
| 297 | A | 48.9 | Very low | 53.7 | Low | 91 Ų | 91 | 142 Ų | 142 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 11.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N295 D299 | N295-A297 PolarHBondContact O-N 2.88Å; A297-D299 PolarHBondContact O-N 2.94Å |
| 298 | V | 46.1 | Very low | 52.4 | Low | 102 Ų | 102 | 147.5 Ų | 147.5 | 62% | 0.618 | 73% | 0.729 | S | S | * | * | trans | -86.4 | 90.6 | 172.2 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | N295 M300 | N295-V298 PolarHBondContact O-N 3.48Å; V298-M300 PolarHBondContact O-N 3.21Å | ||
| 299 | D | 45.7 | Very low | 51 | Low | 146 Ų | 146 | 152.7 Ų | 152.7 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | -51.3 | 122.8 | 164.9 | -84.3 | -52.4 | 0 | 0 | 0 | 109.7 | A297 E301 | A297-D299 PolarHBondContact O-N 2.94Å; D299-E301 PolarHBondContact O-N 3.37Å | ||
| 300 | M | 46.2 | Very low | 50 | Low | 171 Ų | 171 | 162 Ų | 162 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -74.8 | 83.9 | 159.9 | -75.6 | -166.9 | -64.6 | 0 | 0 | 107.9 | V298 I302 | V298-M300 PolarHBondContact O-N 3.21Å; M300-I302 PolarHBondContact O-N 3.5Å | ||
| 301 | E | 44.6 | Very low | 48.6 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -56.1 | 94.2 | 157.3 | -71.1 | -169.9 | 142.2 | 0 | 0 | 107.7 | D299 E303 | D299-E301 PolarHBondContact O-N 3.37Å; E301-E303 PolarHBondContact O-N 2.92Å; E301-E303 VanDerWaalsContact O-N 3.13Å | ||
| 302 | I | 45.5 | Very low | 47.2 | Very low | 147 Ų | 147 | 155.9 Ų | 155.9 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -67.8 | 109.8 | 168.1 | -70.4 | 176.2 | 0 | 0 | 0 | 105.9 | M300 E304 | M300-I302 PolarHBondContact O-N 3.5Å; I302-E304 PolarHBondContact O-N 3.13Å | ||
| 303 | E | 50.6 | Low | 46 | Very low | 176 Ų | 176 | 154.7 Ų | 154.7 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -58 | 101.2 | 174.7 | -66.9 | 178.4 | 125.4 | 0 | 0 | 109.4 | E301 E305 | E301-E303 PolarHBondContact O-N 2.92Å; E301-E303 VanDerWaalsContact O-N 3.13Å; E303-E305 PolarHBondContact O-N 2.9Å | ||
| 304 | E | 51.1 | Low | 44.9 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -76.5 | 65.2 | 175.5 | -165.4 | 169.6 | -143.7 | 0 | 0 | 109.5 | I302 E306 | I302-E304 PolarHBondContact O-N 3.13Å; E304-E306 PolarHBondContact O-N 3.42Å | ||
| 305 | E | 50.1 | Low | 44 | Very low | 178 Ų | 178 | 154.9 Ų | 154.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -72.6 | 85.5 | -169.8 | -163.7 | -175.7 | -149.1 | 0 | 0 | 112.8 | E303 E307 | E303-E305 PolarHBondContact O-N 2.9Å; E305-E307 PolarHBondContact O-N 2.95Å | ||
| 306 | E | 46 | Very low | 43.1 | Very low | 163 Ų | 163 | 155.5 Ų | 155.5 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | 40.5 | 59.6 | 153.1 | -60.8 | -163 | 143.1 | 0 | 0 | 118.5 | E304 E308 | E304-E306 PolarHBondContact O-N 3.42Å; E306-E308 PolarHBondContact O-N 3.23Å | ||
| 307 | E | 47.4 | Very low | 42.3 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -74.2 | 15.5 | 163.6 | -148 | 176.2 | -157.5 | 0 | 0 | 113.4 | E305 Q309 | E305-E307 PolarHBondContact O-N 2.95Å; E307-Q309 VanDerWaalsContact C-N 3.31Å; E307-Q309 PolarHBondContact O-N 3.44Å | ||
| 308 | E | 48 | Very low | 41.7 | Very low | 180 Ų | 180 | 152.8 Ų | 152.8 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 32.7 | -179.9 | -148.9 | -176.7 | -135.2 | 0 | 0 | 114 | E306 | E306-E308 PolarHBondContact O-N 3.23Š|
| 309 | Q | 42.5 | Very low | 41.3 | Very low | 166 Ų | 166 | 159.1 Ų | 159.1 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.6 | 20.8 | -179 | -131.2 | 129.5 | 123.1 | 0 | 0 | 118.8 | E307 | E307-Q309 VanDerWaalsContact C-N 3.31Å; E307-Q309 PolarHBondContact O-N 3.44Å |
| 310 | R | 41.3 | Very low | 40.7 | Very low | 255 Ų | 255 | 155.9 Ų | 155.9 | 96% | 0.962 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -129.6 | 46.9 | 175.8 | -69 | -168.7 | 175.3 | -129.3 | -0.6 | 115.6 | ||
| 311 | G | 36.5 | Very low | 40.1 | Very low | 80 Ų | 80 | 154.2 Ų | 154.2 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -117.9 | -21.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 312 | S | 33.1 | Very low | 40 | Very low | 130 Ų | 130 | 152.4 Ų | 152.4 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -119.9 | 65.2 | -167.4 | -165.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 313 | S | 30.7 | Very low | 39.8 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -147.5 | 71.3 | 171.2 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 314 | F | 30.1 | Very low | 39.4 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -106.3 | 132.2 | 163.5 | -171.5 | -99.1 | 0 | 0 | 0 | 110 | S316 | F314-S316 PolarHBondContact O-N 3.18Š| ||
| 315 | V | 36.5 | Very low | 38.7 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 65% | 0.648 | 82% | 0.816 | S | S | * | * | trans | -75.8 | 98.4 | -171.3 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | V317 | V315-V317 HydrophobicContact CG1-CG2 3.96Å; V315-V317 PolarHBondContact O-N 3.29Å | ||
| 316 | S | 32.9 | Very low | 38.3 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -68 | 88.7 | 169.8 | -72.9 | 0 | 0 | 0 | 0 | 111.3 | F314 A318 | F314-S316 PolarHBondContact O-N 3.18Å; S316-A318 PolarHBondContact O-N 3.04Å | ||
| 317 | V | 33.5 | Very low | 37.9 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 75% | 0.745 | 82% | 0.817 | S | S | * | * | trans | -71.6 | 75.7 | 171.9 | -174.8 | 0 | 0 | 0 | 0 | 110 | V315 R319 | V315-V317 HydrophobicContact CG1-CG2 3.96Å; V315-V317 PolarHBondContact O-N 3.29Å; V317-R319 PolarHBondContact O-N 2.84Å | ||
| 318 | A | 36.4 | Very low | 37.6 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -72.5 | 93.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S316 | S316-A318 PolarHBondContact O-N 3.04Š| ||
| 319 | R | 38 | Very low | 37.3 | Very low | 235 Ų | 235 | 132.7 Ų | 132.7 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 131.4 | 166.3 | -94.6 | -177.4 | 167.1 | 161.8 | -2.6 | 110.1 | V317 | V317-R319 PolarHBondContact O-N 2.84Š|
| 320 | G | 33.5 | Very low | 37.2 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 145.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 321 | T | 33.7 | Very low | 37.5 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 147.2 | 174.5 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 322 | V | 41.7 | Very low | 37.8 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -134 | 139 | 150 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 323 | P | 41.9 | Very low | 37.9 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -113.2 | -170.6 | -157.3 | 44.5 | -32.4 | 0 | 0 | 0 | 113.6 | ||||
| 324 | P | 41.6 | Very low | 38.5 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -103.4 | 168.6 | -159.5 | 40.4 | -36.2 | 0 | 0 | 0 | 116.1 | ||||
| 325 | T | 38.3 | Very low | 39 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -138 | 112.2 | 175.9 | -58.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 326 | S | 41.2 | Very low | 39.2 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 31.1 | 135.6 | 153.8 | 68.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 327 | G | 37.1 | Very low | 40 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 167 | 84.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 328 | P | 40.3 | Very low | 40.8 | Very low | 130 Ų | 130 | 131 Ų | 131 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | trans | -89.1 | 143.3 | -179.8 | 34.8 | -33.2 | 0 | 0 | 0 | 113.2 | ||||
| 329 | S | 42.6 | Very low | 41.5 | Very low | 129 Ų | 129 | 132 Ų | 132 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -153.2 | 146.2 | 155.5 | -167.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 330 | A | 41.2 | Very low | 41.8 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | -128.5 | 135.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 331 | V | 47.6 | Very low | 42.2 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -145.8 | 124.9 | 157.2 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 332 | P | 41.1 | Very low | 43 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -96.3 | 167.6 | 171.7 | 37.5 | -34 | 0 | 0 | 0 | 112.4 | ||||
| 333 | L | 37.2 | Very low | 43.6 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | 154.2 | 156.9 | 127.8 | -168.5 | 58.7 | 0 | 0 | 0 | 113 | |||||
| 334 | A | 41.9 | Very low | 44.2 | Very low | 80 Ų | 80 | 135 Ų | 135 | 66% | 0.661 | 81% | 0.807 | S | S | * | * | trans | 65.8 | 103.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 335 | Q | 40.6 | Very low | 44.5 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | 68.8 | 111.1 | 65.1 | -66 | -175.6 | -11 | 0 | 0 | 115.4 | |||||
| 336 | M | 41 | Very low | 44.9 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | -176.2 | 119.2 | 115.2 | -97.3 | -178 | 105.8 | 0 | 0 | 113.8 | |||||
| 337 | M | 49.3 | Very low | 45.6 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 84% | 0.837 | 81% | 0.808 | S | S | * | * | trans | 42.3 | 127.1 | 149.1 | -62.1 | -165.4 | 164.7 | 0 | 0 | 123.7 | ||||
| 338 | P | 49.8 | Very low | 45.8 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -104.6 | 148.6 | 162.6 | 38.3 | -31.1 | 0 | 0 | 0 | 114.4 | ||||
| 339 | P | 52.1 | Low | 45.9 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -131.9 | 157.6 | 152 | 38 | -26.2 | 0 | 0 | 0 | 111.9 | ||||
| 340 | R | 44.8 | Very low | 45.7 | Very low | 234 Ų | 234 | 149.1 Ų | 149.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | cis | -161.1 | 146.3 | -12.7 | -113.8 | -178.7 | 178.2 | -167.5 | -1.2 | 106.1 | ||||
| 341 | M | 40.8 | Very low | 46 | Very low | 188 Ų | 188 | 155.5 Ų | 155.5 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -71.3 | 151.3 | 170.3 | -69.1 | -176.8 | 74.5 | 0 | 0 | 111.6 | ||||
| 342 | V | 50.5 | Low | 46.4 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -120.4 | 129.9 | 168.6 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 343 | P | 54.8 | Low | 47 | Very low | 101 Ų | 101 | 158.1 Ų | 158.1 | 66% | 0.656 | 81% | 0.814 | S | S | * | * | trans | -80.9 | 154.7 | -179.7 | 33.3 | -35.3 | 0 | 0 | 0 | 112.2 | ||||
| 344 | P | 53.9 | Low | 48.2 | Very low | 113 Ų | 113 | 155.6 Ų | 155.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -70 | 150.1 | 170.3 | 31.1 | -34.9 | 0 | 0 | 0 | 111.4 | ||||
| 345 | V | 48.7 | Very low | 49.1 | Very low | 137 Ų | 137 | 157.4 Ų | 157.4 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -109.2 | 125.7 | 178.3 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 346 | Y | 47.6 | Very low | 50.1 | Low | 207 Ų | 207 | 154.9 Ų | 154.9 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -91 | 133.2 | 173.9 | -77 | -90.8 | 0 | 0 | 0 | 111.4 | N348 | Y346-N348 PolarHBondContact O-N 3.33Š| ||
| 347 | P | 54.8 | Low | 50.7 | Low | 120 Ų | 120 | 151.3 Ų | 151.3 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -81.4 | 114.7 | 169.3 | 30.9 | -31.3 | 0 | 0 | 0 | 112.1 | ||||
| 348 | N | 41.6 | Very low | 50.4 | Low | 146 Ų | 146 | 152.4 Ų | 152.4 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | 5.7 | 133.6 | 160.8 | -60.3 | -27.6 | 0 | 0 | 0 | 121.2 | Y346 | Y346-N348 PolarHBondContact O-N 3.33Š| ||
| 349 | Q | 41.9 | Very low | 50.9 | Low | 186 Ų | 186 | 152.2 Ų | 152.2 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -69.8 | 135.6 | 160.5 | -63.3 | 172.8 | -8.9 | 0 | 0 | 111.3 | ||||
| 350 | W | 37.6 | Very low | 50.7 | Low | 205 Ų | 205 | 156.4 Ų | 156.4 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -87.8 | 140.4 | 170.8 | -70 | 87 | 0 | 0 | 0 | 111.6 | ||||
| 351 | R | 48.3 | Very low | 50.4 | Low | 223 Ų | 223 | 151.5 Ų | 151.5 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -115.7 | 136.5 | 165 | -69.2 | -176.2 | -177.9 | -114.9 | 0.9 | 109 | ||||
| 352 | P | 56.9 | Low | 50.8 | Low | 135 Ų | 135 | 147.4 Ų | 147.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -62.4 | 142.9 | 169.1 | -20.6 | 33 | 0 | 0 | 0 | 111.3 | ||||
| 353 | M | 52.3 | Low | 50.4 | Low | 180 Ų | 180 | 150.4 Ų | 150.4 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -110.6 | 134.2 | 171.4 | -157.7 | -173.8 | -51.7 | 0 | 0 | 108.4 | ||||
| 354 | P | 62.7 | Low | 49.6 | Very low | 110 Ų | 110 | 152 Ų | 152 | 71% | 0.714 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 152.8 | -177.8 | 29.3 | -35.7 | 0 | 0 | 0 | 112.5 | ||
| 355 | P | 61.8 | Low | 48.9 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 149.4 | 177.7 | 30.5 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 356 | P | 61.9 | Low | 48.6 | Very low | 129 Ų | 129 | 152 Ų | 152 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 153.2 | 175.2 | 31.6 | -35 | 0 | 0 | 0 | 112.7 | ||
| 357 | A | 52.1 | Low | 48.4 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 155 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 358 | Q | 43.6 | Very low | 47.7 | Very low | 192 Ų | 192 | 147.9 Ų | 147.9 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 142.1 | 174.9 | -69.4 | -178 | -24.4 | 0 | 0 | 113.1 | ||
| 359 | P | 60.1 | Low | 48 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 158.9 | 163 | 35.3 | -32.2 | 0 | 0 | 0 | 112.8 | ||
| 360 | K | 47.8 | Very low | 48 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 156.4 | 179 | -74.1 | -176.7 | 175.3 | -177.8 | 0 | 113.4 | ||
| 361 | P | 39.2 | Very low | 48.5 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 168.2 | 175.5 | 36.3 | -36.9 | 0 | 0 | 0 | 114.1 | ||
| 362 | A | 49.6 | Very low | 48.4 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -145.6 | 163.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 363 | E | 40.8 | Very low | 47.9 | Very low | 193 Ų | 193 | 134 Ų | 134 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -110.3 | 165.5 | -157.3 | -59.8 | 169.7 | 94.9 | 0 | 0 | 116.6 | ||||
| 364 | C | 37.6 | Very low | 47.1 | Very low | 134 Ų | 134 | 133 Ų | 133 | 91% | 0.905 | 82% | 0.815 | S | S | * | * | trans | 118.2 | 140.7 | 131.4 | -149.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 365 | G | 40.6 | Very low | 46.5 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | trans | 76.5 | 102.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 366 | Q | 42.6 | Very low | 45.4 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | 76.3 | 110.7 | 51.9 | -65.4 | -164.6 | -0.5 | 0 | 0 | 117.5 | |||||
| 367 | T | 42.2 | Very low | 44.2 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | 174.9 | 161.1 | 122.6 | 30 | 0 | 0 | 0 | 0 | 112 | |||||
| 368 | A | 39.8 | Very low | 43.6 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -157.2 | -156.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 369 | P | 48.3 | Very low | 43.2 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | cis | -142 | -155.5 | -10 | 35.5 | -10.5 | 0 | 0 | 0 | 115 | ||||
| 370 | M | 42.1 | Very low | 41.9 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | 82.5 | 154.2 | 163.8 | -35.7 | -155.5 | 83.7 | 0 | 0 | 117.5 | ||||
| 371 | V | 48.7 | Very low | 41.2 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | cis | -140.5 | 140.9 | 11.9 | 178 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 372 | G | 45.4 | Very low | 41.1 | Very low | 64 Ų | 64 | 137.8 Ų | 137.8 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | 135.9 | 155.6 | 107.2 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 373 | P | 47.5 | Very low | 40.5 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -138.6 | 162 | -150.1 | 42.7 | -24.9 | 0 | 0 | 0 | 120.6 | ||||
| 374 | L | 35.5 | Very low | 40.2 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 36.4 | 145.4 | 136.6 | -69.6 | 169 | 0 | 0 | 0 | 123 | ||||
| 375 | P | 48.6 | Very low | 40.1 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | -150.9 | -169.4 | 84.9 | 41 | -22.9 | 0 | 0 | 0 | 115.8 | |||||
| 376 | N | 38.9 | Very low | 39.6 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | -172.1 | 176.3 | -57.7 | -168.1 | 17.8 | 0 | 0 | 0 | 109.6 | |||||
| 377 | W | 36.9 | Very low | 39.3 | Very low | 220 Ų | 220 | 142.7 Ų | 142.7 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | 83.6 | 149.5 | 171.6 | -61 | 82.3 | 0 | 0 | 0 | 118.2 | ||||
| 378 | P | 40.5 | Very low | 39.1 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | cis | -135.8 | 170.5 | -41.4 | 38 | -22.3 | 0 | 0 | 0 | 114.5 | ||||
| 379 | Q | 34.5 | Very low | 39.3 | Very low | 184 Ų | 184 | 149.7 Ų | 149.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -86 | 151.2 | 174.4 | -66.2 | 176.8 | -64.7 | 0 | 0 | 113 | ||||
| 380 | F | 33 | Very low | 39.8 | Very low | 210 Ų | 210 | 149.2 Ų | 149.2 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -113.7 | 141.7 | 156.3 | -98.2 | -89.2 | 0 | 0 | 0 | 109.9 | ||||
| 381 | T | 32.4 | Very low | 40.6 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -111.3 | 127.5 | 174.3 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 382 | A | 37 | Very low | 41 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | -126.3 | 142.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 383 | T | 36.9 | Very low | 40.7 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -115.3 | 148.7 | -166.1 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 384 | N | 34.5 | Very low | 40.5 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 60 | 95.3 | 156.5 | -58 | -8.6 | 0 | 0 | 0 | 117.6 | ||||
| 385 | F | 35.4 | Very low | 40.7 | Very low | 210 Ų | 210 | 151 Ų | 151 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | -131.7 | 116.6 | 126.5 | -101.1 | -85.8 | 0 | 0 | 0 | 107.7 | |||||
| 386 | D | 31.3 | Very low | 40.2 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | trans | -107.2 | 115.6 | 177.7 | -171.6 | -8.7 | 0 | 0 | 0 | 108.7 | R388 | D386-R388 PolarHBondContact OD1-N 3.48Š| ||
| 387 | F | 36.2 | Very low | 40.2 | Very low | 182 Ų | 182 | 158.7 Ų | 158.7 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | -132.6 | 64.2 | 175 | -114.7 | -78.4 | 0 | 0 | 0 | 109.8 | M389 | F387-M389 PolarHBondContact O-N 3.42Š| ||
| 388 | R | 37.3 | Very low | 40.8 | Very low | 229 Ų | 229 | 152.8 Ų | 152.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -60 | 93.7 | 164.7 | -89.3 | -179.2 | 151.6 | -159.9 | -3.4 | 111.6 | D386 | D386-R388 PolarHBondContact OD1-N 3.48Š| ||
| 389 | M | 44 | Very low | 40.7 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 140.8 | 151.4 | -68.5 | -147 | 76.4 | 0 | 0 | 110 | F387 | F387-M389 PolarHBondContact O-N 3.42Š|
| 390 | P | 59.5 | Low | 40.9 | Very low | 101 Ų | 101 | 156.3 Ų | 156.3 | 66% | 0.656 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 154.7 | 172.2 | 31.8 | -34.8 | 0 | 0 | 0 | 110.7 | ||
| 391 | P | 58.5 | Low | 41.3 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66 | 141.9 | 171.6 | 29.2 | -34.4 | 0 | 0 | 0 | 110.5 | G393 | P391-G393 PolarHBondContact O-N 3.32Š|
| 392 | P | 57.1 | Low | 41.5 | Very low | 129 Ų | 129 | 150.9 Ų | 150.9 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.9 | 171.9 | 26.9 | -33.3 | 0 | 0 | 0 | 109.8 | ||
| 393 | G | 40 | Very low | 42.2 | Very low | 71 Ų | 71 | 151.8 Ų | 151.8 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 136.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P391 Q395 | P391-G393 PolarHBondContact O-N 3.32Å; G393-Q395 PolarHBondContact O-N 3.17Å |
| 394 | M | 41.5 | Very low | 42.3 | Very low | 188 Ų | 188 | 152.6 Ų | 152.6 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -60.9 | 106.8 | 172 | -75.4 | 179.8 | 160.5 | 0 | 0 | 110.8 | Q396 | M394-Q396 PolarHBondContact O-N 3.17Š| ||
| 395 | Q | 40.6 | Very low | 42.9 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -74.4 | 115.3 | 158.5 | -72.4 | -156.1 | 10 | 0 | 0 | 109.1 | G393 W397 | G393-Q395 PolarHBondContact O-N 3.17Å; Q395-W397 PolarHBondContact O-N 3.37Å | ||
| 396 | Q | 39.1 | Very low | 43.1 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 120.1 | 173.8 | -63.4 | 179.1 | 1.5 | 0 | 0 | 109.1 | M394 | M394-Q396 PolarHBondContact O-N 3.17Š|
| 397 | W | 38.6 | Very low | 43.6 | Very low | 232 Ų | 232 | 147.3 Ų | 147.3 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 134 | 170.7 | -78.8 | 67.6 | 0 | 0 | 0 | 109.8 | Q395 | Q395-W397 PolarHBondContact O-N 3.37Š|
| 398 | P | 49.2 | Very low | 43.8 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 62% | 0.623 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 131.7 | -175.3 | 27.8 | -34.1 | 0 | 0 | 0 | 111.9 | F400 | P398-F400 PolarHBondContact O-N 3.41Š|
| 399 | N | 37.2 | Very low | 43.7 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -63.8 | 113.3 | 175 | -71.8 | -71.9 | 0 | 0 | 0 | 111.3 | ||||
| 400 | F | 40.1 | Very low | 43.5 | Very low | 200 Ų | 200 | 136 Ų | 136 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -94.3 | 111.7 | 167.8 | -96.1 | -89 | 0 | 0 | 0 | 111.2 | P398 | P398-F400 PolarHBondContact O-N 3.41Š| ||
| 401 | V | 41.9 | Very low | 42.4 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -125.1 | 136 | 171.4 | 176.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 402 | P | 35.5 | Very low | 41.5 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | trans | -93.2 | 159.6 | -153.4 | 35.7 | -38 | 0 | 0 | 0 | 115 | T404 | P402-T404 PolarHBondContact O-N 2.83Š| ||
| 403 | P | 52 | Low | 40.7 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -79.8 | 106.2 | 166.6 | 32.2 | -31.7 | 0 | 0 | 0 | 111.1 | ||||
| 404 | T | 39.7 | Very low | 40.4 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -78.3 | 122.2 | 164.2 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | P402 | P402-T404 PolarHBondContact O-N 2.83Š| ||
| 405 | S | 46.6 | Very low | 40.4 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 155 | 163.4 | 61.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 406 | A | 38.6 | Very low | 40.1 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | trans | -151.6 | -174.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 407 | I | 42.2 | Very low | 40.1 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | 82.4 | 132.7 | 169 | -47.1 | 159.2 | 0 | 0 | 0 | 113.7 | ||||
| 408 | P | 40.1 | Very low | 40 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | cis | -136.6 | -168.8 | -31.1 | 41.2 | -22.6 | 0 | 0 | 0 | 113.7 | ||||
| 409 | A | 36.7 | Very low | 39.6 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -92.4 | 146.5 | -173 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 410 | A | 39.9 | Very low | 39.7 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | 179.6 | 145.1 | 139 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 411 | G | 35.1 | Very low | 39.9 | Very low | 63 Ų | 63 | 124.6 Ų | 124.6 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | cis | 167 | 155.6 | -6.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 412 | L | 39.3 | Very low | 39.9 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | 69.3 | 154.7 | -177.9 | -45.7 | 171.9 | 0 | 0 | 0 | 115.1 | ||||
| 413 | A | 40.2 | Very low | 40.3 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | cis | -162.5 | 143 | -32.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 414 | C | 34.3 | Very low | 40 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -86.2 | 164.7 | 172.1 | -41.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 415 | P | 41.6 | Very low | 40.1 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | -155.5 | 164.5 | 69.2 | 41.8 | -21.5 | 0 | 0 | 0 | 119.2 | |||||
| 416 | L | 35.2 | Very low | 39.8 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | trans | 40.7 | 128.2 | 140.5 | -63.8 | 166.7 | 0 | 0 | 0 | 122.2 | ||||
| 417 | G | 38.3 | Very low | 40.3 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -164.7 | 88.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 418 | N | 37.3 | Very low | 40.4 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | trans | -84 | 142.7 | 175.2 | -67.2 | -6.1 | 0 | 0 | 0 | 112.3 | ||||
| 419 | K | 40.2 | Very low | 40.3 | Very low | 200 Ų | 200 | 138 Ų | 138 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | 175.1 | 147.4 | 128.4 | -97.1 | 156 | -173.3 | 176.6 | 0 | 113.9 | |||||
| 420 | P | 39.1 | Very low | 40.8 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -88.9 | 164.8 | 165.2 | 37.1 | -34.4 | 0 | 0 | 0 | 112.5 | ||||
| 421 | C | 44.8 | Very low | 40.9 | Very low | 136 Ų | 136 | 139 Ų | 139 | 92% | 0.919 | 79% | 0.793 | S | S | * | * | trans | -115.3 | 159.5 | 176.1 | -79.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 422 | R | 40.7 | Very low | 41.3 | Very low | 244 Ų | 244 | 141 Ų | 141 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -113.3 | 167.2 | -170.2 | -106.6 | -169.9 | 171.5 | -166.1 | -1.9 | 113.1 | ||||
| 423 | P | 44.6 | Very low | 41.1 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -95.5 | 176.4 | -172.1 | 38.9 | -37.6 | 0 | 0 | 0 | 115.7 | ||||
| 424 | Q | 45.2 | Very low | 41.7 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | -139.6 | 154.9 | 164 | -62.2 | -179.6 | -8.6 | 0 | 0 | 107.6 | ||||
| 425 | G | 42.9 | Very low | 41.9 | Very low | 80 Ų | 80 | 140.8 Ų | 140.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | cis | -154.1 | -146.1 | -6.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 426 | R | 39.9 | Very low | 41.9 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | -167.4 | 172.5 | -20.8 | -171.7 | -148.9 | 138.6 | -176.3 | -9.1 | 105 | E428 | R426-E428 IonicContact CZ-OE1 3.67Å; R426-E428 VanDerWaalsContact CZ-OE1 3.27Å; R426-E428 IonicContact NE-OE1 3.43Å; R426-E428 PolarHBondContact NE-OE1 3.29Å; R426-E428 IonicContact NH2-OE1 3.75Å; R426-E428 PolarHBondContact NH2-OE1 3.23Å; R426-E428 IonicContact NH2-OE2 2.7Å; R426-E428 PolarHBondContact NH2-OE2 3.49Å | ||
| 427 | V | 49.5 | Very low | 42.2 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | trans | 78.1 | 128.6 | 164.6 | -171.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 428 | E | 43.2 | Very low | 42.3 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -160.8 | 169.5 | -29.3 | -133.1 | 135.4 | -115 | 0 | 0 | 110.6 | R426 | R426-E428 IonicContact CZ-OE1 3.67Å; R426-E428 VanDerWaalsContact CZ-OE1 3.27Å; R426-E428 IonicContact NE-OE1 3.43Å; R426-E428 PolarHBondContact NE-OE1 3.29Å; R426-E428 IonicContact NH2-OE1 3.75Å; R426-E428 PolarHBondContact NH2-OE1 3.23Å; R426-E428 IonicContact NH2-OE2 2.7Å; R426-E428 PolarHBondContact NH2-OE2 3.49Å | ||
| 429 | Q | 39.3 | Very low | 42.7 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -146.8 | 166.3 | 172.9 | -126.8 | -163.4 | 18.1 | 0 | 0 | 107.9 | ||||
| 430 | P | 46.7 | Very low | 42.7 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | -131.9 | -141.1 | 51.1 | 30.2 | -4.1 | 0 | 0 | 0 | 111.2 | |||||
| 431 | D | 41.3 | Very low | 42.9 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | -162.2 | 168.3 | 3.6 | -147.5 | -65 | 0 | 0 | 0 | 112.7 | ||||
| 432 | S | 44 | Very low | 42.8 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | 76 | 151.7 | 146.9 | -78.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 433 | F | 35.3 | Very low | 42.7 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | trans | -129.3 | -166.2 | -165.2 | -98.8 | -88.8 | 0 | 0 | 0 | 109.2 | ||||
| 434 | P | 52.5 | Low | 42.3 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | cis | -136.6 | 176.2 | -17.4 | 24.6 | -0.4 | 0 | 0 | 0 | 116.8 | ||||
| 435 | A | 39.1 | Very low | 42.3 | Very low | 84 Ų | 84 | 128 Ų | 128 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | trans | 64.7 | 147.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 436 | N | 40.7 | Very low | 42.1 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | -168.8 | 157.3 | 57.4 | -103.3 | -42.2 | 0 | 0 | 0 | 113.9 | |||||
| 437 | F | 41.4 | Very low | 42.7 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | 39.6 | 140.4 | 150.6 | -72.2 | -71.7 | 0 | 0 | 0 | 122.3 | ||||
| 438 | D | 41.7 | Very low | 42.4 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 52% | 0.524 | 74% | 0.741 | S | S | . | * | cis | -144.6 | -143.9 | 0.5 | -160.6 | 25.2 | 0 | 0 | 0 | 107.9 | N440 | D438-N440 PolarHBondContact OD2-ND2 3.36Å; D438-N440 VanDerWaalsContact OD2-ND2 3.09Å | ||
| 439 | Q | 44.1 | Very low | 42 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | cis | -152.4 | 127.6 | 3.6 | -166 | 140.6 | 96.9 | 0 | 0 | 114.6 | ||||
| 440 | N | 41.4 | Very low | 41.9 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | trans | 11.2 | 139.7 | 141.8 | -68.4 | -61 | 0 | 0 | 0 | 121.3 | D438 | D438-N440 PolarHBondContact OD2-ND2 3.36Å; D438-N440 VanDerWaalsContact OD2-ND2 3.09Å | ||
| 441 | V | 42.7 | Very low | 41.3 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | cis | -153.7 | -176.7 | -12.2 | -110.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 442 | I | 43.5 | Very low | 41 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | cis | -147.6 | 152.6 | 26.6 | -56.7 | 165 | 0 | 0 | 0 | 106.6 | ||||
| 443 | G | 38.8 | Very low | 40.9 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | cis | 179.6 | -115.5 | 6.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 444 | G | 35.6 | Very low | 40.8 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -171.1 | -163.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 445 | P | 45.9 | Very low | 39.9 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | cis | -128.4 | -174.8 | 22.5 | 42.2 | -27 | 0 | 0 | 0 | 116 | ||||
| 446 | T | 37.5 | Very low | 39.7 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -123.1 | -146 | -171.2 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 447 | P | 52 | Low | 39.6 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | -116.3 | -160.6 | -126.4 | 37.7 | -16.4 | 0 | 0 | 0 | 113.9 | |||||
| 448 | P | 43.6 | Very low | 39.4 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | -142.7 | 169.9 | 111.3 | 38.4 | -25.6 | 0 | 0 | 0 | 116.2 | |||||
| 449 | K | 34.8 | Very low | 39.2 | Very low | 198 Ų | 198 | 125.9 Ų | 125.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -80 | 163.8 | 169.6 | -57.9 | 169.1 | 177.8 | 174.2 | 0 | 111.2 | ||||
| 450 | V | 37.1 | Very low | 39 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | -170.9 | 127.5 | 134.1 | 138.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 451 | F | 34.3 | Very low | 38.7 | Very low | 199 Ų | 199 | 127.5 Ų | 127.5 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | 29.7 | 142.3 | 155.8 | -67.3 | -100.8 | 0 | 0 | 0 | 124.3 | ||||
| 452 | A | 35.1 | Very low | 38.3 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | -87.4 | 172.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 453 | P | 41.2 | Very low | 38 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | -153.1 | 163.2 | 89.6 | 42.1 | -24.8 | 0 | 0 | 0 | 117.9 | |||||
| 454 | S | 33.9 | Very low | 38 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 40.5 | 132.5 | 142.9 | 65.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 455 | G | 33.8 | Very low | 38.1 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 143.8 | 117.9 | 130.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 456 | F | 34.4 | Very low | 37.7 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | 36.1 | 147.6 | 144.5 | -83.4 | -134.8 | 0 | 0 | 0 | 120.1 | ||||
| 457 | N | 38.1 | Very low | 37.9 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | cis | -170.9 | 165.6 | -8.4 | -104.2 | 7.2 | 0 | 0 | 0 | 104.3 | ||||
| 458 | G | 37 | Very low | 37.3 | Very low | 55 Ų | 55 | 143.3 Ų | 143.3 | 57% | 0.567 | 80% | 0.798 | S | S | * | * | cis | 159.8 | 170.6 | 1.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 459 | S | 38.5 | Very low | 37.1 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 65.8 | 156.2 | 179.6 | 71 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 460 | E | 39.1 | Very low | 37.2 | Very low | 185 Ų | 185 | 142.2 Ų | 142.2 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | cis | -124.5 | 152.1 | 11 | -66.4 | 177.5 | 102.5 | 0 | 0 | 114 | ||||
| 461 | T | 35.5 | Very low | 37.3 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -142.5 | 154.5 | 163.4 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 462 | D | 35.6 | Very low | 37.7 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | 35.8 | 110.6 | 162.5 | -62.6 | -43.9 | 0 | 0 | 0 | 120.5 | ||||
| 463 | R | 36.6 | Very low | 37.9 | Very low | 233 Ų | 233 | 140.8 Ų | 140.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | 178.9 | 136.6 | 129.2 | -96.7 | 147.9 | -169.7 | -167.2 | 5 | 111.7 | |||||
| 464 | F | 37.5 | Very low | 38 | Very low | 222 Ų | 222 | 144.3 Ų | 144.3 | 97% | 0.974 | 81% | 0.807 | S | S | * | * | -146.6 | 146.3 | 125.7 | -97.6 | -67.9 | 0 | 0 | 0 | 109.7 | |||||
| 465 | A | 39.3 | Very low | 38.3 | Very low | 87 Ų | 87 | 144.8 Ų | 144.8 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -133.9 | 173.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 466 | N | 35.8 | Very low | 38.7 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -51.2 | 139.8 | -174.8 | -66.6 | -48 | 0 | 0 | 0 | 115.2 | ||||
| 467 | N | 42.8 | Very low | 38.8 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -140 | 146.4 | 156.2 | -98.6 | -42 | 0 | 0 | 0 | 106.5 | ||||
| 468 | M | 40.1 | Very low | 38.7 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | cis | 174.3 | 132.8 | -21.4 | -118.3 | -87.5 | -92.1 | 0 | 0 | 104 | ||||
| 469 | R | 38.1 | Very low | 38.7 | Very low | 223 Ų | 223 | 150.5 Ų | 150.5 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | 52 | 97 | 162 | -67.9 | 172.4 | 170.5 | -127.9 | -4 | 119.2 | ||||
| 470 | G | 37.8 | Very low | 38.8 | Very low | 81 Ų | 81 | 150.9 Ų | 150.9 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | 97.3 | 129.4 | 86.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 471 | N | 39.2 | Very low | 38.7 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -149.8 | 161.1 | 143.5 | -141.3 | -25.2 | 0 | 0 | 0 | 110.5 | ||||
| 472 | V | 42.7 | Very low | 38.8 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -112.4 | 131.7 | -168.3 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 473 | G | 39 | Very low | 39 | Very low | 71 Ų | 71 | 151.3 Ų | 151.3 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -161.3 | 69.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 474 | K | 44 | Very low | 38.9 | Very low | 189 Ų | 189 | 150 Ų | 150 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | 20.9 | 119 | 153.9 | -58.6 | 176.6 | -179.2 | 178.7 | 0 | 119.4 | ||||
| 475 | P | 38.8 | Very low | 39 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -75.7 | 149.8 | 152.2 | 33.7 | -32.5 | 0 | 0 | 0 | 110.8 | ||||
| 476 | L | 42.4 | Very low | 39 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -124.3 | 135.1 | 165.4 | -85.4 | 173.5 | 0 | 0 | 0 | 109.8 | ||||
| 477 | L | 37 | Very low | 39.1 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -83.5 | 146.8 | 174 | -70.8 | 154 | 0 | 0 | 0 | 110.1 | ||||
| 478 | S | 36.4 | Very low | 39.1 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -140.8 | 86.2 | 162.4 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 479 | T | 37.3 | Very low | 39.1 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 77% | 0.767 | 81% | 0.813 | S | S | * | * | trans | -77.8 | 121.4 | 173.4 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 480 | V | 40.1 | Very low | 39.4 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -143.5 | 116.4 | 165.6 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 481 | P | 36.7 | Very low | 39.5 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 59% | 0.591 | 81% | 0.805 | S | S | * | * | trans | -102.6 | -170.4 | 165.3 | 37.3 | -28.4 | 0 | 0 | 0 | 111.6 | ||||
| 482 | F | 38 | Very low | 39.7 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | 76.6 | 153.1 | -171 | -65.6 | -92.1 | 0 | 0 | 0 | 113.8 | ||||
| 483 | Q | 40 | Very low | 39.6 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | cis | -142.4 | 162.7 | 20.9 | -152.3 | 162.8 | 14.3 | 0 | 0 | 113.1 | ||||
| 484 | K | 33.1 | Very low | 39.6 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -127.6 | 123.8 | -176.7 | 178.3 | -174.3 | 178.1 | -176.4 | 0 | 111 | ||||
| 485 | A | 40.7 | Very low | 39.4 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -166.1 | 155 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 486 | Q | 38.7 | Very low | 39.6 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | cis | -147.4 | 170.7 | -11.4 | -134.2 | -167.3 | -58.1 | 0 | 0 | 111.4 | ||||
| 487 | E | 37.4 | Very low | 39.5 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 67% | 0.673 | 80% | 0.804 | S | S | * | * | trans | -58.7 | 154.3 | -177.5 | -55 | 125.2 | 141.1 | 0 | 0 | 115.2 | ||||
| 488 | T | 43.4 | Very low | 39.9 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | trans | -147.8 | 133.3 | 138.6 | -30.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 489 | T | 40.7 | Very low | 40.2 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -107.9 | 144 | -164.6 | -38.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 490 | G | 44.7 | Very low | 40.4 | Very low | 76 Ų | 76 | 148 Ų | 148 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -159.7 | 93.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 491 | N | 39.2 | Very low | 40.5 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | -96.3 | 128.1 | 179.8 | -69.8 | -12.7 | 0 | 0 | 0 | 112.4 | ||||
| 492 | M | 43.1 | Very low | 40.7 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | trans | -153.8 | 118.8 | 140.1 | -70 | -162 | -78.3 | 0 | 0 | 105.7 | ||||
| 493 | I | 39.8 | Very low | 41.2 | Very low | 155 Ų | 155 | 146 Ų | 146 | 80% | 0.795 | 82% | 0.82 | S | S | * | * | cis | 79.3 | 138.7 | 46 | -57.9 | 178.6 | 0 | 0 | 0 | 112.7 | ||||
| 494 | A | 40.8 | Very low | 41.6 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | 74.5 | 102.1 | -167 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 495 | E | 39 | Very low | 42 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | 60.4 | 106.7 | 55.1 | -58 | -163.2 | 137.8 | 0 | 0 | 114.8 | |||||
| 496 | F | 42.7 | Very low | 42.2 | Very low | 215 Ų | 215 | 138.5 Ų | 138.5 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -151.7 | 133.5 | 139.7 | -131.6 | -86.8 | 0 | 0 | 0 | 110.4 | ||||
| 497 | N | 41.6 | Very low | 42.2 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -93 | 140.2 | 178.9 | -83.3 | -70.9 | 0 | 0 | 0 | 111.2 | ||||
| 498 | G | 43.6 | Very low | 42.4 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | -151.3 | 133 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 499 | A | 42.5 | Very low | 42.7 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -142.8 | 161.4 | -159 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 500 | R | 43.6 | Very low | 42.7 | Very low | 257 Ų | 257 | 139.8 Ų | 139.8 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | trans | 74.4 | 130.2 | 170 | -60.4 | 177.7 | 167.7 | -178.5 | -4.8 | 116.7 | ||||
| 501 | G | 41.6 | Very low | 42.7 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 168.5 | 49.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 502 | Q | 41.2 | Very low | 42.8 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -127.9 | 147 | 167.5 | -150.4 | -166.3 | 36.6 | 0 | 0 | 109.2 | ||||
| 503 | P | 48.5 | Very low | 42.6 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | -145 | 153.5 | 119.6 | 38.6 | -25.2 | 0 | 0 | 0 | 115.9 | |||||
| 504 | T | 48.7 | Very low | 42.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | trans | 54.8 | 119.2 | 146.2 | 52.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 505 | P | 39.6 | Very low | 43 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -79.1 | 135 | 155.7 | 33.3 | -31.3 | 0 | 0 | 0 | 111.2 | ||||
| 506 | G | 45.6 | Very low | 43.3 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -91.5 | 115.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 507 | H | 39 | Very low | 43.4 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -74.1 | 134.6 | 171.5 | -126 | -65.8 | 0 | 0 | 0 | 110.5 | ||||
| 508 | F | 40.5 | Very low | 43.4 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | -130.4 | 151 | 151.7 | -101.4 | -84.3 | 0 | 0 | 0 | 109.9 | ||||
| 509 | T | 50 | Low | 43.6 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 69% | 0.693 | 80% | 0.804 | S | S | * | * | trans | -98.5 | 150.1 | -166.3 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 510 | P | 40.9 | Very low | 43.4 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -66.8 | 156.2 | 167.5 | 32.4 | -35.8 | 0 | 0 | 0 | 110.4 | ||||
| 511 | N | 46.1 | Very low | 43.4 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -143.3 | 140 | 162 | -161.3 | 26.7 | 0 | 0 | 0 | 110.6 | ||||
| 512 | E | 40.5 | Very low | 43.5 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -80.8 | 158.6 | 176.6 | -57.4 | 166.3 | 136.2 | 0 | 0 | 109 | ||||
| 513 | G | 39.4 | Very low | 43.4 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | cis | 173.8 | -145 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 514 | V | 43.4 | Very low | 43.4 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | 78.5 | 82 | 172.3 | -165.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 515 | N | 44.2 | Very low | 43 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 58.2 | 153.5 | 135.8 | -98.8 | 18.9 | 0 | 0 | 0 | 123.5 | ||||
| 516 | P | 47.1 | Very low | 42.8 | Very low | 109 Ų | 109 | 154.5 Ų | 154.5 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | trans | -107.5 | 167.1 | -168.6 | 41.8 | -34.7 | 0 | 0 | 0 | 114.6 | ||||
| 517 | D | 43.4 | Very low | 43.3 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | -146.3 | 140.5 | 149 | -119.4 | -37.1 | 0 | 0 | 0 | 110.2 | ||||
| 518 | G | 41.2 | Very low | 43.2 | Very low | 58 Ų | 58 | 156.9 Ų | 156.9 | 60% | 0.598 | 81% | 0.811 | S | S | * | * | trans | -116.2 | 138.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R520 | G518-R520 PolarHBondContact O-N 2.66Š| ||
| 519 | P | 48.6 | Very low | 43.6 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -77.6 | 90.8 | -172.4 | 30.7 | -35.4 | 0 | 0 | 0 | 113.3 | ||||
| 520 | R | 37.4 | Very low | 43.2 | Very low | 241 Ų | 241 | 153.3 Ų | 153.3 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -78.7 | 114.8 | 167.9 | -99.8 | -171.9 | 170.1 | -148.9 | -0.5 | 112 | G518 | G518-R520 PolarHBondContact O-N 2.66Š| ||
| 521 | W | 44.7 | Very low | 43.4 | Very low | 208 Ų | 208 | 155.4 Ų | 155.4 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | trans | -144.7 | 133.3 | 171.8 | -54.1 | 85.7 | 0 | 0 | 0 | 108.7 | ||||
| 522 | M | 43.3 | Very low | 43.2 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | cis | -136.6 | 150 | -16.1 | -68.2 | -175.1 | 175 | 0 | 0 | 108.9 | ||||
| 523 | Q | 39 | Very low | 43.4 | Very low | 186 Ų | 186 | 151 Ų | 151 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -122.8 | 121.2 | 157.5 | -79.5 | -173.9 | -13.8 | 0 | 0 | 108.6 | ||||
| 524 | H | 47.9 | Very low | 44.2 | Very low | 175 Ų | 175 | 153.2 Ų | 153.2 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 137 | 178.1 | -98.2 | -96.8 | 0 | 0 | 0 | 112 | ||
| 525 | K | 40.5 | Very low | 44.6 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 148.5 | -171.4 | -59.1 | 180 | 179.6 | -178.7 | 0 | 112.4 | ||
| 526 | R | 35.3 | Very low | 44.9 | Very low | 234 Ų | 234 | 150.2 Ų | 150.2 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 144.7 | 153.1 | -63.8 | -173.3 | -177.6 | -153.1 | 2.1 | 109.6 | ||
| 527 | P | 56.5 | Low | 44.6 | Very low | 126 Ų | 126 | 155 Ų | 155 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 162.9 | 161.5 | 33.5 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 528 | I | 38.4 | Very low | 44.6 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 92% | 0.918 | 81% | 0.808 | S | S | * | * | trans | -118.1 | 147.7 | 174.7 | -67.9 | 173.2 | 0 | 0 | 0 | 108.6 | ||||
| 529 | G | 47.4 | Very low | 44.7 | Very low | 60 Ų | 60 | 157.9 Ų | 157.9 | 62% | 0.619 | 82% | 0.821 | S | S | * | * | trans | 137.7 | 142.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 530 | E | 42.9 | Very low | 44.3 | Very low | 181 Ų | 181 | 158.2 Ų | 158.2 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | cis | -167.7 | 155.6 | -18.1 | -127.4 | 162.7 | -178.2 | 0 | 0 | 106.3 | ||||
| 531 | D | 44.8 | Very low | 44.7 | Very low | 167 Ų | 167 | 156 Ų | 156 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | 58.7 | 159.4 | 174.8 | -62.3 | -30 | 0 | 0 | 0 | 119.7 | ||||
| 532 | G | 40.5 | Very low | 44.4 | Very low | 74 Ų | 74 | 151.9 Ų | 151.9 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | 150.2 | -6.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 533 | M | 45.4 | Very low | 44.2 | Very low | 178 Ų | 178 | 155.8 Ų | 155.8 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | 56.9 | 128.4 | 170.4 | -75.2 | -72.5 | -70.8 | 0 | 0 | 120.6 | ||||
| 534 | P | 55.4 | Low | 44.3 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | trans | -96.8 | 154.6 | 169.7 | 37.8 | -33.8 | 0 | 0 | 0 | 114.4 | ||||
| 535 | P | 53.4 | Low | 43.7 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -127.1 | 171.2 | 149.9 | 30.7 | -13.7 | 0 | 0 | 0 | 112.8 | ||||
| 536 | P | 50.1 | Low | 43.7 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | -128.7 | -167.2 | -128.9 | 44.3 | -31.9 | 0 | 0 | 0 | 117.5 | |||||
| 537 | F | 40.7 | Very low | 43.7 | Very low | 209 Ų | 209 | 147.1 Ų | 147.1 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -42.1 | 144 | 173.7 | -76.1 | -112.3 | 0 | 0 | 0 | 116.3 | ||||
| 538 | A | 42.5 | Very low | 43.1 | Very low | 103 Ų | 103 | 149 Ų | 149 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -155.6 | 154.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 539 | E | 43.1 | Very low | 43.2 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -83.3 | 167.1 | -166.2 | -77.4 | -172.5 | 144.5 | 0 | 0 | 116.5 | ||||
| 540 | P | 40.8 | Very low | 43.4 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | trans | -84.2 | 150.9 | -179.1 | 34.2 | -36.5 | 0 | 0 | 0 | 113.8 | ||||
| 541 | M | 45.4 | Very low | 43.8 | Very low | 195 Ų | 195 | 152 Ų | 152 | 96% | 0.961 | 83% | 0.828 | S | S | * | * | trans | -134.7 | 153 | 165.7 | -83.3 | -142.8 | 172.9 | 0 | 0 | 114.6 | ||||
| 542 | V | 38.2 | Very low | 43.6 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 73% | 0.733 | 83% | 0.83 | S | S | * | * | trans | -85.1 | 145.9 | -176.7 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 543 | Y | 40.7 | Very low | 44.2 | Very low | 221 Ų | 221 | 152.1 Ų | 152.1 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | -177.5 | 150.2 | 119.1 | -109.6 | -84.6 | 0 | 0 | 0 | 115.8 | |||||
| 544 | S | 41 | Very low | 44.8 | Very low | 103 Ų | 103 | 149.6 Ų | 149.6 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | trans | -22.3 | 136.8 | 172.6 | -159.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 545 | G | 34.1 | Very low | 44.3 | Very low | 64 Ų | 64 | 149.6 Ų | 149.6 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | trans | -93.7 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 546 | H | 41.3 | Very low | 44.9 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -133.2 | 151.6 | 173.3 | -93.4 | 25.4 | 0 | 0 | 0 | 111.7 | ||||
| 547 | R | 34.4 | Very low | 45 | Very low | 246 Ų | 246 | 149.1 Ų | 149.1 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | -90.3 | 134.2 | -179.1 | -67.7 | 176.5 | 172.6 | -179.7 | -2.1 | 111.6 | ||||
| 548 | I | 44.8 | Very low | 45 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -134.1 | 137.3 | 152.8 | -58.7 | -176.7 | 0 | 0 | 0 | 108.4 | ||||
| 549 | R | 39.9 | Very low | 45 | Very low | 237 Ų | 237 | 152.2 Ų | 152.2 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | -107.8 | 135.7 | 174.5 | -93.2 | -173.4 | 170.7 | -172.9 | -2.8 | 110.3 | ||||
| 550 | P | 52.6 | Low | 45.3 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -83.7 | 168.7 | 153.3 | -8.1 | 27.2 | 0 | 0 | 0 | 111.9 | ||||
| 551 | P | 49.9 | Very low | 45.2 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -95.2 | -179.3 | -163.8 | 37.9 | -37.4 | 0 | 0 | 0 | 116.1 | ||||
| 552 | L | 40.8 | Very low | 46.1 | Very low | 178 Ų | 178 | 145 Ų | 145 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -76.6 | 151 | -179.2 | -69 | 156.7 | 0 | 0 | 0 | 113.4 | ||||
| 553 | G | 53.7 | Low | 46.9 | Very low | 66 Ų | 66 | 144.6 Ų | 144.6 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | -123.5 | 157.2 | 164 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 554 | P | 57.7 | Low | 47.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90 | 159.4 | -166.7 | 35.6 | -36.8 | 0 | 0 | 0 | 114.8 | ||
| 555 | P | 45.8 | Very low | 47.6 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 150.6 | 169.4 | 35.7 | -33.5 | 0 | 0 | 0 | 112.5 | ||
| 556 | P | 65.9 | Low | 48.1 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 147.1 | 164.2 | 34.4 | -32 | 0 | 0 | 0 | 111.7 | ||
| 557 | S | 51.7 | Low | 48.5 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 152.3 | -179.6 | -69 | 0 | 0 | 0 | 0 | 114.1 | ||
| 558 | D | 40.7 | Very low | 49 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 12.1 | 134.2 | 144.9 | -47.2 | -60.2 | 0 | 0 | 0 | 120.4 | ||||
| 559 | R | 43.5 | Very low | 49.1 | Very low | 229 Ų | 229 | 134.1 Ų | 134.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -165 | 124.3 | 136.5 | -109.5 | 178.6 | -179.1 | -172.1 | -0.9 | 112.9 | ||||
| 560 | I | 47.7 | Very low | 49.7 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | 50.9 | 133 | 142.8 | -52.7 | 156.8 | 0 | 0 | 0 | 117.8 | ||||
| 561 | G | 40 | Very low | 49.4 | Very low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | cis | 155.3 | 135.7 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 562 | P | 63.2 | Low | 49.8 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -94.5 | -177.1 | -172.8 | 39.8 | -38.2 | 0 | 0 | 0 | 113.6 | ||||
| 563 | P | 55.5 | Low | 50.7 | Low | 113 Ų | 113 | 123.8 Ų | 123.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | -154.7 | 170.4 | 101.2 | 41.4 | -24.4 | 0 | 0 | 0 | 118 | |||||
| 564 | S | 47.6 | Very low | 51.4 | Low | 97 Ų | 97 | 126.8 Ų | 126.8 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | 68.6 | 150.4 | 147.1 | -74.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 565 | D | 49.6 | Very low | 50.7 | Low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -157.4 | -177.3 | 0.4 | -106.2 | -12.4 | 0 | 0 | 0 | 112.7 | ||||
| 566 | F | 43.3 | Very low | 50.5 | Low | 192 Ų | 192 | 127.5 Ų | 127.5 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | 77.3 | 115.2 | 179.3 | -75.7 | -101.4 | 0 | 0 | 0 | 116.7 | ||||
| 567 | V | 49.4 | Very low | 49.5 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | cis | 79 | 118.9 | 48.2 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 568 | A | 45.7 | Very low | 49.1 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | cis | -147.8 | 159.2 | 41.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 569 | T | 46.7 | Very low | 49.5 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -6.7 | 148.7 | 150.8 | 7.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 570 | T | 52.3 | Low | 49.5 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | cis | -136.5 | -174.8 | 14.3 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 571 | G | 46.8 | Very low | 49.7 | Very low | 66 Ų | 66 | 126.1 Ų | 126.1 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | cis | -175.4 | 174.7 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 572 | P | 57.3 | Low | 49.9 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -110.3 | 158.4 | -158.6 | 39.5 | -34.6 | 0 | 0 | 0 | 117.6 | ||||
| 573 | P | 61.3 | Low | 48.8 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -90.9 | 151.8 | 168.7 | 36.3 | -33.8 | 0 | 0 | 0 | 113.4 | ||||
| 574 | P | 68.3 | Low | 48.3 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | trans | -78.2 | 163.1 | 172.8 | 33.4 | -35.2 | 0 | 0 | 0 | 112.5 | ||||
| 575 | S | 41.5 | Very low | 48 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -143 | 165.1 | -177.6 | -74.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 576 | V | 41.8 | Very low | 47.9 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | 76.8 | 127.6 | 169.2 | -166.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 577 | G | 45.7 | Very low | 47.7 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -167.6 | 65.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 578 | R | 43.8 | Very low | 47.7 | Very low | 196 Ų | 196 | 130.3 Ų | 130.3 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -94.1 | 132 | -175.1 | -173.4 | -179.6 | -178.8 | 171.6 | -3.4 | 109.7 | E580 | R578-E580 HydrophobicContact CG-CG 4.36Å; R578-E580 IonicContact CZ-OE1 3.42Å; R578-E580 IonicContact NE-OE1 3.05Å; R578-E580 PolarHBondContact NE-OE1 3.02Å; R578-E580 IonicContact NH2-OE1 2.68Å; R578-E580 PolarHBondContact NH2-OE1 2.81Å | ||
| 579 | F | 48.7 | Very low | 47.6 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -123 | 134.2 | 170.2 | -116.2 | -87.7 | 0 | 0 | 0 | 108.7 | ||||
| 580 | E | 44.3 | Very low | 47.6 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 61% | 0.607 | 81% | 0.808 | S | S | * | * | trans | -135.5 | 127.9 | 175.9 | -65.9 | -175.3 | 161.6 | 0 | 0 | 108.3 | R578 | R578-E580 HydrophobicContact CG-CG 4.36Å; R578-E580 IonicContact CZ-OE1 3.42Å; R578-E580 IonicContact NE-OE1 3.05Å; R578-E580 PolarHBondContact NE-OE1 3.02Å; R578-E580 IonicContact NH2-OE1 2.68Å; R578-E580 PolarHBondContact NH2-OE1 2.81Å | ||
| 581 | D | 51.4 | Low | 47.2 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -140.5 | 81.7 | 174 | -95.6 | -49.7 | 0 | 0 | 0 | 110.8 | ||||
| 582 | N | 43.3 | Very low | 47.1 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | 25.6 | 138.7 | 135.8 | -79.9 | -43.3 | 0 | 0 | 0 | 123.1 | ||||
| 583 | V | 40.5 | Very low | 46.9 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | 73.6 | 137.6 | 138 | 171.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 584 | T | 46 | Very low | 46.8 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | cis | -134.6 | 164.3 | 29.3 | -35.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 585 | Q | 39.9 | Very low | 45.9 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -129.9 | 120.4 | 176.7 | 178.9 | -172 | 20.9 | 0 | 0 | 112.2 | ||||
| 586 | E | 48.1 | Very low | 47.2 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -147.3 | 154.8 | 156.5 | -70.5 | -167.3 | 147.6 | 0 | 0 | 107.1 | ||||
| 587 | G | 39.4 | Very low | 47.4 | Very low | 83 Ų | 83 | 140.5 Ų | 140.5 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | cis | 144.7 | 96.9 | -0.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 588 | G | 49.2 | Very low | 47.3 | Very low | 87 Ų | 87 | 144.2 Ų | 144.2 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | 163.2 | 135.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 589 | A | 43.6 | Very low | 47.6 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | trans | -124.1 | 160.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 590 | G | 45.9 | Very low | 47.3 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -169.8 | 141.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 591 | E | 44.3 | Very low | 47.6 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -91.7 | 154.7 | -158.1 | -67.1 | 165.1 | 109.4 | 0 | 0 | 116.3 | ||||
| 592 | M | 45.6 | Very low | 47.6 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 80% | 0.803 | 84% | 0.837 | S | S | * | * | trans | 7.6 | 143.9 | 143.6 | -63.3 | 164.4 | 53.1 | 0 | 0 | 121 | ||||
| 593 | L | 52.8 | Low | 47.6 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | -168.6 | 159.3 | 111.5 | -94.1 | 172.4 | 0 | 0 | 0 | 110.8 | |||||
| 594 | P | 59.2 | Low | 48.3 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -101 | 172.1 | -168.3 | 39.8 | -36.3 | 0 | 0 | 0 | 115.3 | ||
| 595 | P | 48.2 | Very low | 48.3 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 156.1 | -177 | 35.1 | -36.7 | 0 | 0 | 0 | 115.1 | ||
| 596 | P | 70.4 | Confident | 48.8 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -90 | 164 | 176.5 | 36.6 | -35.7 | 0 | 0 | 0 | 114.1 | ||
| 597 | F | 45.9 | Very low | 48.5 | Very low | 197 Ų | 197 | 131.6 Ų | 131.6 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -150.1 | 152.2 | -177 | -135.2 | -60.5 | 0 | 0 | 0 | 110.5 | ||||
| 598 | I | 43.4 | Very low | 49 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 82% | 0.821 | 82% | 0.817 | S | S | * | * | trans | 73.5 | 138.3 | 167.2 | -49.1 | 179.6 | 0 | 0 | 0 | 116.6 | ||||
| 599 | G | 50.5 | Low | 49 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 164.4 | 82 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 600 | D | 42 | Very low | 49.4 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | trans | -74.9 | 149.5 | 173.9 | -80.5 | -65.9 | 0 | 0 | 0 | 113 | ||||
| 601 | G | 50.4 | Low | 49.3 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -162.5 | 138.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 602 | M | 51.6 | Low | 50 | Low | 199 Ų | 199 | 134 Ų | 134 | 98% | 0.98 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 157.7 | -174.1 | -60.5 | -171.5 | -174.1 | 0 | 0 | 113.2 | ||||
| 603 | G | 42.5 | Very low | 50.7 | Low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -81.3 | -140.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 604 | P | 54.7 | Low | 50.4 | Low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | cis | -141.7 | -169.4 | 8.3 | 44.3 | -26 | 0 | 0 | 0 | 115.7 | ||||
| 605 | R | 47.8 | Very low | 49.7 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 83.2 | 132.7 | 148.4 | -83.9 | 175.9 | 174.8 | -134.6 | 6 | 122.1 | ||||
| 606 | H | 49 | Very low | 49.4 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | 84.8 | 97.1 | 143 | -61.2 | -33.3 | 0 | 0 | 0 | 122 | ||||
| 607 | T | 42.2 | Very low | 48.4 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | 60.7 | 114.7 | 115.8 | -40.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 608 | M | 49.5 | Very low | 48.4 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | -163.7 | 162.5 | 117 | -98.2 | -50.7 | 165 | 0 | 0 | 111.8 | |||||
| 609 | A | 49.2 | Very low | 48.5 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -97.9 | 162.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 610 | P | 52.5 | Low | 48.8 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -96.1 | 163.9 | -169.3 | 37.8 | -36.2 | 0 | 0 | 0 | 115.2 | ||||
| 611 | G | 43.9 | Very low | 48.8 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -159.8 | 115.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 612 | P | 58.9 | Low | 49.1 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -115.3 | -169.6 | 170.2 | 41.4 | -31.6 | 0 | 0 | 0 | 111.5 | ||||
| 613 | P | 60.1 | Low | 48.6 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | cis | -124.1 | -174 | -43.5 | 35.9 | -20.1 | 0 | 0 | 0 | 111.5 | ||||
| 614 | H | 47.1 | Very low | 48.9 | Very low | 171 Ų | 171 | 152 Ų | 152 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | 175.5 | 138.9 | 137.5 | -97 | -48.9 | 0 | 0 | 0 | 115 | ||||
| 615 | R | 44.5 | Very low | 48.5 | Very low | 242 Ų | 242 | 154.8 Ų | 154.8 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | 59.4 | 147.3 | 158.6 | -59.3 | 175.6 | 179.9 | -170.7 | -0.2 | 117.4 | ||||
| 616 | G | 42.3 | Very low | 48.4 | Very low | 67 Ų | 67 | 148.9 Ų | 148.9 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | cis | 163.4 | 176.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 617 | L | 47.7 | Very low | 48.1 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | trans | 80.7 | 159.4 | 166.4 | -53.4 | 176 | 0 | 0 | 0 | 120.4 | ||||
| 618 | A | 47.5 | Very low | 49.1 | Very low | 100 Ų | 100 | 151 Ų | 151 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | 90.8 | 136.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 619 | Y | 43.8 | Very low | 49.4 | Very low | 214 Ų | 214 | 148.5 Ų | 148.5 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -121.8 | 171.1 | -178 | -98 | -78.4 | 0 | 0 | 0 | 107.1 | ||||
| 620 | P | 57.1 | Low | 49 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | -152.6 | -175.1 | 51.3 | 41.5 | -18 | 0 | 0 | 0 | 118.7 | |||||
| 621 | R | 41.9 | Very low | 48.9 | Very low | 205 Ų | 205 | 151.3 Ų | 151.3 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | trans | -81 | 159.3 | 175 | -69.9 | 170.8 | 161.5 | 166.7 | -5.2 | 112.9 | ||||
| 622 | H | 57 | Low | 49.2 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -126.2 | 151.1 | 138.9 | -92.6 | -97.3 | 0 | 0 | 0 | 111.3 | ||||
| 623 | R | 41.5 | Very low | 48.4 | Very low | 204 Ų | 204 | 159.4 Ų | 159.4 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -108.7 | 152.3 | 167.8 | -84.3 | 179.8 | 168.2 | 173.4 | -4.5 | 108.4 | ||||
| 624 | F | 47.8 | Very low | 47.7 | Very low | 211 Ų | 211 | 159.7 Ų | 159.7 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -142.5 | 168.3 | 141.9 | -115.9 | -83 | 0 | 0 | 0 | 110.5 | ||||
| 625 | Q | 46.6 | Very low | 47.7 | Very low | 175 Ų | 175 | 158 Ų | 158 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -150.4 | 137.9 | -153.4 | 176.7 | 178.5 | -6.3 | 0 | 0 | 110.7 | ||||
| 626 | G | 46.5 | Very low | 47.6 | Very low | 76 Ų | 76 | 151.8 Ų | 151.8 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 170.8 | 131 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 627 | Q | 43.5 | Very low | 48 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -136.3 | 144.7 | 162.1 | -94.7 | -163.9 | -16.7 | 0 | 0 | 108.5 | ||||
| 628 | P | 61.6 | Low | 48 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -102 | 158.1 | 159.3 | 36 | -28.9 | 0 | 0 | 0 | 112.4 | ||||
| 629 | P | 55.8 | Low | 47.6 | Very low | 128 Ų | 128 | 150.2 Ų | 150.2 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -101.1 | -175.5 | -169.6 | 40.2 | -37.5 | 0 | 0 | 0 | 115.7 | ||||
| 630 | F | 40.9 | Very low | 48 | Very low | 208 Ų | 208 | 146.3 Ų | 146.3 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -70 | 154.4 | -175.8 | -71.9 | -98.2 | 0 | 0 | 0 | 116.1 | ||||
| 631 | G | 51.7 | Low | 47.2 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -123.9 | 168.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 632 | N | 49.1 | Very low | 47.3 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -127.4 | 148.1 | -162 | -81.5 | -67.6 | 0 | 0 | 0 | 116.1 | ||||
| 633 | R | 41.7 | Very low | 46.5 | Very low | 213 Ų | 213 | 142.1 Ų | 142.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 66.6 | 172.4 | 150.7 | -80 | -176.9 | 173.7 | -139.8 | -0.9 | 118.1 | ||||
| 634 | P | 46.2 | Very low | 46.3 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | cis | -130.9 | 151.8 | -6.5 | 21.5 | 2.6 | 0 | 0 | 0 | 118.4 | ||||
| 635 | L | 46.4 | Very low | 45.7 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | trans | 28.5 | 119.2 | 134.2 | -64.6 | 162.4 | 0 | 0 | 0 | 124.5 | ||||
| 636 | S | 42.7 | Very low | 45.5 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | 63.4 | 170.8 | 125.2 | -88.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 637 | P | 51.8 | Low | 45.2 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -137.4 | 176.5 | 12.7 | 41.2 | -22.5 | 0 | 0 | 0 | 119.3 | ||||
| 638 | S | 48.2 | Very low | 45.1 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 69.9 | 149.3 | 147.6 | 52.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 639 | A | 38 | Very low | 44 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -117.8 | -178.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 640 | P | 52.2 | Low | 43.7 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | -140.3 | 175.2 | 113.3 | 39.7 | -28.6 | 0 | 0 | 0 | 114.9 | |||||
| 641 | S | 39.4 | Very low | 43.8 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -99.1 | 155.6 | 179 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 642 | F | 45.1 | Very low | 43.8 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -154.2 | 177.2 | 150.1 | -111 | -70.3 | 0 | 0 | 0 | 111.5 | ||||
| 643 | D | 39.6 | Very low | 43.8 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | trans | -102.3 | 171.5 | -144.1 | -96.5 | -40 | 0 | 0 | 0 | 118.5 | ||||
| 644 | H | 36.9 | Very low | 44.6 | Very low | 166 Ų | 166 | 137 Ų | 137 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -3 | 133.7 | 158.6 | -48.2 | -55.6 | 0 | 0 | 0 | 117.3 | ||||
| 645 | S | 36.4 | Very low | 45 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | -177.3 | 168.3 | 61.4 | 59 | 0 | 0 | 0 | 0 | 114 | |||||
| 646 | T | 41.8 | Very low | 44.9 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | 67.6 | 159.4 | 161.2 | 31.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 647 | V | 41.3 | Very low | 45 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | 88.8 | 102.4 | 172.6 | -169.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 648 | R | 40.3 | Very low | 44.5 | Very low | 243 Ų | 243 | 146.6 Ų | 146.6 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | 19.2 | 112.2 | 149 | -71.6 | 177.4 | 165.9 | 156.5 | -4.6 | 119.1 | ||||
| 649 | M | 38.8 | Very low | 44.5 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -70 | 127 | 158.4 | -74.8 | -87.7 | -83.9 | 0 | 0 | 111.4 | ||||
| 650 | R | 49.5 | Very low | 44.7 | Very low | 242 Ų | 242 | 153.4 Ų | 153.4 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -117.4 | 123.1 | 152 | -97.9 | -171.1 | 169.1 | -166.8 | -3.1 | 107.6 | ||||
| 651 | S | 42.6 | Very low | 44.3 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 127.1 | -175.9 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 652 | P | 53 | Low | 44.5 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -83 | 139.1 | 174.5 | 32.5 | -33.2 | 0 | 0 | 0 | 111.6 | ||
| 653 | A | 47.9 | Very low | 44 | Very low | 90 Ų | 90 | 153 Ų | 153 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 142.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 654 | P | 59.7 | Low | 44 | Very low | 118 Ų | 118 | 158.7 Ų | 158.7 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 133.1 | -175 | 30.2 | -34.9 | 0 | 0 | 0 | 113.2 | ||
| 655 | V | 52.9 | Low | 44.3 | Very low | 141 Ų | 141 | 154.3 Ų | 154.3 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | -90.6 | 105.9 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 656 | F | 45.2 | Very low | 44.7 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -81.3 | 131.5 | 169.6 | -105.6 | -90.5 | 0 | 0 | 0 | 111.7 | ||||
| 657 | R | 45.4 | Very low | 44.9 | Very low | 246 Ų | 246 | 160 Ų | 160 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | trans | -117 | 100.9 | -179.9 | -178.5 | -172.4 | -92.4 | -150.3 | -1.9 | 110 | ||||
| 658 | G | 41.6 | Very low | 44.9 | Very low | 74 Ų | 74 | 159.3 Ų | 159.3 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | -132.7 | 138.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 659 | A | 46.4 | Very low | 45 | Very low | 97 Ų | 97 | 157.6 Ų | 157.6 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | trans | -42.3 | 133.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 660 | R | 43.8 | Very low | 45.1 | Very low | 255 Ų | 255 | 159.5 Ų | 159.5 | 96% | 0.962 | 83% | 0.828 | S | S | * | * | trans | 38.7 | 96.7 | 141.3 | -61.2 | -175.5 | -178.6 | -134.1 | 1.6 | 118.9 | ||||
| 661 | G | 43.7 | Very low | 44.5 | Very low | 73 Ų | 73 | 153.5 Ų | 153.5 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -178.3 | 135.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 662 | S | 43.1 | Very low | 44.4 | Very low | 115 Ų | 115 | 155.2 Ų | 155.2 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 13.2 | 102.2 | 170 | -58.2 | 0 | 0 | 0 | 0 | 118.5 | W664 | S662-W664 PolarHBondContact O-N 3.3Š| ||
| 663 | R | 34.9 | Very low | 43.6 | Very low | 242 Ų | 242 | 156.4 Ų | 156.4 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -69.5 | 95.4 | 178.1 | -176.1 | -164.7 | -71.3 | -152.6 | -0.6 | 112.2 | ||||
| 664 | W | 39.1 | Very low | 43.2 | Very low | 243 Ų | 243 | 157.2 Ų | 157.2 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | trans | -97.3 | 120.5 | 152.7 | -74.8 | 90.7 | 0 | 0 | 0 | 108.8 | S662 | S662-W664 PolarHBondContact O-N 3.3Š| ||
| 665 | A | 43.8 | Very low | 42 | Very low | 74 Ų | 74 | 156.6 Ų | 156.6 | 61% | 0.612 | 82% | 0.817 | S | S | * | * | trans | -110.4 | 124.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | R667 | A665-R667 PolarHBondContact O-N 2.89Š| ||
| 666 | P | 44.5 | Very low | 41.3 | Very low | 122 Ų | 122 | 156.3 Ų | 156.3 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63 | 134.7 | 169.7 | 27.7 | -32.9 | 0 | 0 | 0 | 108.8 | ||
| 667 | R | 44.5 | Very low | 40.8 | Very low | 229 Ų | 229 | 157.6 Ų | 157.6 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 128.3 | 176.2 | -71.8 | -178.5 | 176.5 | -118.3 | 2.7 | 108.9 | A665 F669 | A665-R667 PolarHBondContact O-N 2.89Å; R667-F669 PolarHBondContact O-N 3.09Å |
| 668 | P | 43.3 | Very low | 40.5 | Very low | 119 Ų | 119 | 157.5 Ų | 157.5 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 120.1 | 168.1 | 28.8 | -32 | 0 | 0 | 0 | 108.7 | R670 | P668-R670 PolarHBondContact O-N 2.73Š|
| 669 | F | 40.6 | Very low | 40.9 | Very low | 207 Ų | 207 | 159.5 Ų | 159.5 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.2 | 168.3 | -95.4 | -90.9 | 0 | 0 | 0 | 109.2 | R667 | R667-F669 PolarHBondContact O-N 3.09Š|
| 670 | R | 41.8 | Very low | 40.3 | Very low | 222 Ų | 222 | 162.6 Ų | 162.6 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 119 | 162.3 | -73.3 | -173.2 | 173.8 | -160.9 | -0.8 | 108 | P668 | P668-R670 PolarHBondContact O-N 2.73Š|
| 671 | P | 36.9 | Very low | 40.1 | Very low | 117 Ų | 117 | 159.2 Ų | 159.2 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 126.5 | 159.2 | 30.5 | -30.5 | 0 | 0 | 0 | 107.8 | ||
| 672 | N | 40 | Very low | 39.8 | Very low | 146 Ų | 146 | 161.4 Ų | 161.4 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -160.9 | 78.4 | 174 | -123.4 | 42.2 | 0 | 0 | 0 | 111.6 | ||||
| 673 | D | 36.1 | Very low | 39.5 | Very low | 151 Ų | 151 | 161 Ų | 161 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | 67.1 | 165.1 | 132.5 | -110.3 | 27.9 | 0 | 0 | 0 | 120.8 | ||||
| 674 | P | 40 | Very low | 40.4 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | -136.4 | 131.8 | -114.2 | 35 | -13.5 | 0 | 0 | 0 | 115.6 | |||||
| 675 | S | 35.3 | Very low | 40.2 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -161.8 | 154.6 | 160.6 | 60.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 676 | N | 37.4 | Very low | 40.1 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 93.4 | 87.9 | 174.5 | -53.7 | -59.4 | 0 | 0 | 0 | 115 | ||||
| 677 | R | 35.4 | Very low | 39.8 | Very low | 232 Ų | 232 | 151.9 Ų | 151.9 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | 78.5 | 93.1 | 78.7 | -79.1 | -173.1 | 173.1 | -138.6 | -0.4 | 112.6 | |||||
| 678 | W | 37.9 | Very low | 39.5 | Very low | 244 Ų | 244 | 148 Ų | 148 | 92% | 0.924 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 143 | 156.5 | -63.3 | 69.3 | 0 | 0 | 0 | 109.9 | ||
| 679 | P | 49.7 | Very low | 39.4 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 137.9 | 159.3 | 32.7 | -30.3 | 0 | 0 | 0 | 109.8 | ||
| 680 | N | 35.6 | Very low | 39.3 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 143.4 | 169.3 | -66 | -14 | 0 | 0 | 0 | 110.1 | ||
| 681 | M | 38.1 | Very low | 39.4 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -121.9 | 143.9 | 154.4 | -101.6 | -169.7 | 158.4 | 0 | 0 | 109.7 | ||||
| 682 | P | 38.3 | Very low | 39.4 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 155.7 | -169 | 35 | -36.1 | 0 | 0 | 0 | 113.1 | ||
| 683 | S | 35.8 | Very low | 40.1 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 138.9 | 166.4 | -46.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 684 | P | 53.7 | Low | 40.4 | Very low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 133.1 | 157.2 | 31.7 | -30.9 | 0 | 0 | 0 | 109.7 | ||
| 685 | T | 36.6 | Very low | 40.5 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -107.8 | 165.8 | 172.8 | 49.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 686 | S | 41.3 | Very low | 41.1 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | 75.2 | 132.4 | 174.5 | 137.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 687 | D | 38.1 | Very low | 41.3 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | cis | -145 | -167.8 | -7.9 | -75.3 | -51.3 | 0 | 0 | 0 | 108.3 | ||||
| 688 | N | 38.4 | Very low | 41.8 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -160.2 | -163 | 12.9 | -152.8 | -78.5 | 0 | 0 | 0 | 110.3 | ||||
| 689 | A | 40.3 | Very low | 41.8 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | 71.4 | 62.8 | 158 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 690 | T | 37.8 | Very low | 41.5 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -77.1 | 152.3 | 163.4 | -24.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 691 | W | 45 | Very low | 41.8 | Very low | 228 Ų | 228 | 132.9 Ų | 132.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -147 | 108.8 | 150.8 | -86.9 | 99.8 | 0 | 0 | 0 | 111.2 | ||||
| 692 | E | 36.3 | Very low | 41.8 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -139.8 | 152.4 | 166.1 | -81.9 | -163.8 | 156 | 0 | 0 | 109.6 | ||||
| 693 | H | 54.7 | Low | 42.1 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | trans | -121.3 | 79.6 | -175.4 | -113.5 | -71.7 | 0 | 0 | 0 | 113.8 | ||||
| 694 | N | 42.2 | Very low | 42.4 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -8.7 | 146.2 | 131.7 | -94.2 | -33.4 | 0 | 0 | 0 | 116.6 | ||||
| 695 | V | 42.2 | Very low | 41.6 | Very low | 115 Ų | 115 | 125 Ų | 125 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | cis | -163.2 | -157.7 | -4.2 | -123.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 696 | P | 48 | Very low | 41.8 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -119.1 | 166.2 | -28.5 | 21.6 | 1.7 | 0 | 0 | 0 | 112.5 | ||||
| 697 | Y | 42.3 | Very low | 41.8 | Very low | 233 Ų | 233 | 126.8 Ų | 126.8 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | cis | 96.5 | 115.4 | 36.3 | -136.2 | -74.9 | 0 | 0 | 0 | 115.4 | ||||
| 698 | G | 45.1 | Very low | 41.9 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 130.5 | 136.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 699 | G | 39.4 | Very low | 42.4 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | 169 | 143.3 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 700 | S | 43.1 | Very low | 42.5 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | 72.1 | 150.4 | 170 | 80.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 701 | G | 41.6 | Very low | 42.8 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 100.3 | 98.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 702 | G | 37.8 | Very low | 42.7 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -135.9 | -164.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 703 | P | 44.4 | Very low | 43 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | cis | -123.6 | 160.2 | -19.6 | 38.8 | -25.9 | 0 | 0 | 0 | 112.2 | ||||
| 704 | G | 41.2 | Very low | 42.3 | Very low | 85 Ų | 85 | 124.2 Ų | 124.2 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -172.4 | 131 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 705 | G | 37.2 | Very low | 42 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -111.4 | 161.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 706 | I | 42.5 | Very low | 42.4 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -157.9 | 141.1 | 156.5 | -96.4 | 144.3 | 0 | 0 | 0 | 106 | ||||
| 707 | A | 40.4 | Very low | 41.8 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -102.1 | 152.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 708 | N | 40.9 | Very low | 41.6 | Very low | 160 Ų | 160 | 125 Ų | 125 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -158.4 | 122 | 164 | -122 | -21 | 0 | 0 | 0 | 112.2 | ||||
| 709 | P | 48.4 | Very low | 41.4 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -113.1 | 131.6 | 177.9 | 36.9 | -27.5 | 0 | 0 | 0 | 114 | ||||
| 710 | M | 41.5 | Very low | 41.5 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | -149.1 | 147.6 | 166.1 | -70.1 | -171.8 | 76 | 0 | 0 | 107 | ||||
| 711 | L | 45.2 | Very low | 41.6 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | cis | -140.4 | 176.9 | 18 | -113 | 134.5 | 0 | 0 | 0 | 111.6 | ||||
| 712 | Q | 42.6 | Very low | 41.7 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -133.1 | 163.7 | -173.5 | -60.1 | 173.6 | -52.6 | 0 | 0 | 113.7 | ||||
| 713 | H | 42.5 | Very low | 41.8 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | 70.5 | 160.5 | 161 | -50.3 | -53.2 | 0 | 0 | 0 | 116.7 | ||||
| 714 | A | 40 | Very low | 42 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | cis | -144.5 | 164.7 | 7.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 715 | R | 36 | Very low | 41.8 | Very low | 233 Ų | 233 | 144.8 Ų | 144.8 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -92.7 | 158.6 | 158.3 | -88.8 | -173.9 | 172.8 | -174.6 | -1.8 | 110.2 | ||||
| 716 | P | 49.7 | Very low | 42 | Very low | 128 Ų | 128 | 153 Ų | 153 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -128.5 | 163.4 | 135 | 37.6 | -29.4 | 0 | 0 | 0 | 113.1 | ||||
| 717 | S | 36.5 | Very low | 42 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -159.1 | 134.9 | 176.8 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 718 | L | 37.9 | Very low | 42.3 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 176.7 | 142.9 | 159 | -102.8 | 157.6 | 0 | 0 | 0 | 112 | ||||
| 719 | L | 41.1 | Very low | 42.1 | Very low | 146 Ų | 146 | 150 Ų | 150 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 66.2 | 149.6 | 160.8 | -60 | 161.6 | 0 | 0 | 0 | 116.8 | ||||
| 720 | D | 41.3 | Very low | 41.6 | Very low | 117 Ų | 117 | 153.4 Ų | 153.4 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | cis | -148.3 | 154.2 | 7.6 | -147.3 | -6.1 | 0 | 0 | 0 | 113.9 | ||||
| 721 | R | 45.5 | Very low | 41.4 | Very low | 215 Ų | 215 | 149.4 Ų | 149.4 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | 15 | 171 | 150.9 | -79.8 | 169.5 | 161.6 | 178 | -6.5 | 124.9 | ||||
| 722 | P | 43.4 | Very low | 41.1 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | cis | -144.5 | 172 | -35 | 40.6 | -22.7 | 0 | 0 | 0 | 117.1 | ||||
| 723 | H | 40.2 | Very low | 40.9 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | 20.2 | 130.1 | 148.4 | -77 | -84.3 | 0 | 0 | 0 | 125.1 | ||||
| 724 | D | 47.5 | Very low | 40.7 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | -159.7 | 118.9 | 120.9 | -96.4 | -31.3 | 0 | 0 | 0 | 107.2 | |||||
| 725 | M | 37.7 | Very low | 40.7 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | 58 | 97.1 | 73.3 | -89.6 | -156.7 | 166.9 | 0 | 0 | 117.3 | |||||
| 726 | Y | 41.8 | Very low | 41.3 | Very low | 247 Ų | 247 | 148.4 Ų | 148.4 | 97% | 0.969 | 78% | 0.779 | S | S | * | * | -162.7 | 168.5 | 125.1 | -103 | -69.1 | 0 | 0 | 0 | 110.5 | |||||
| 727 | A | 42.1 | Very low | 40.9 | Very low | 91 Ų | 91 | 148.6 Ų | 148.6 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -128 | 173 | -161.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 728 | P | 47.1 | Very low | 41.1 | Very low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -110 | -178.5 | -150.8 | 43 | -37.8 | 0 | 0 | 0 | 115.2 | ||||
| 729 | D | 36.8 | Very low | 41.5 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -166.2 | -178.6 | 137.9 | -117.8 | -32.2 | 0 | 0 | 0 | 114.9 | ||||
| 730 | F | 37.2 | Very low | 41.5 | Very low | 188 Ų | 188 | 145 Ų | 145 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 91.1 | 60.7 | 170.3 | -70 | -80.2 | 0 | 0 | 0 | 121.4 | ||||
| 731 | S | 38.3 | Very low | 41.7 | Very low | 86 Ų | 86 | 148 Ų | 148 | 60% | 0.601 | 81% | 0.805 | S | S | * | * | 46.6 | 120.8 | 115.2 | 67.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 732 | S | 38.8 | Very low | 42 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 68.9 | 151.1 | 134.4 | 75.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 733 | T | 37.7 | Very low | 42 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | cis | -148.5 | 157.4 | 7.7 | -31 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 734 | R | 37.4 | Very low | 42.7 | Very low | 241 Ų | 241 | 142.1 Ų | 142.1 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -115.2 | 154 | 167.6 | -92.2 | -171.1 | 176.8 | -169.6 | 0.4 | 111.3 | ||||
| 735 | F | 40 | Very low | 42.5 | Very low | 199 Ų | 199 | 146.4 Ų | 146.4 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | trans | -128.5 | 135.8 | 160.6 | -94.1 | -81 | 0 | 0 | 0 | 111 | ||||
| 736 | P | 48.9 | Very low | 42.7 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 168.4 | 175.9 | 38 | -34.2 | 0 | 0 | 0 | 113.4 | ||
| 737 | P | 41.3 | Very low | 42.7 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 166.7 | -176.7 | 34.4 | -37.1 | 0 | 0 | 0 | 114.7 | ||
| 738 | A | 41.1 | Very low | 42.6 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 154.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 739 | A | 45.5 | Very low | 42.3 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 163.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 740 | P | 42.1 | Very low | 42.6 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 160.9 | -169.3 | 33.7 | -36.4 | 0 | 0 | 0 | 114.8 | ||
| 741 | L | 45.1 | Very low | 42.8 | Very low | 178 Ų | 178 | 124.8 Ų | 124.8 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 154.2 | 176.1 | -75.5 | 172.6 | 0 | 0 | 0 | 113.4 | ||
| 742 | A | 51.4 | Low | 43 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 165.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 743 | P | 43.7 | Very low | 43.2 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 148 | -165.7 | 32.3 | -35.8 | 0 | 0 | 0 | 114.9 | ||
| 744 | V | 54.9 | Low | 43.5 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 92% | 0.915 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 143.6 | 175 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 745 | R | 43.4 | Very low | 44.1 | Very low | 248 Ų | 248 | 132.6 Ų | 132.6 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | trans | -132.7 | 117.6 | -174.9 | -178.5 | -169.3 | -170.9 | -161.4 | 6.3 | 111.1 | ||||
| 746 | G | 41.3 | Very low | 44.1 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | trans | 145 | 141.9 | 162 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 747 | G | 42.1 | Very low | 44.2 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 93% | 0.928 | 85% | 0.851 | S | S | * | * | trans | 80.8 | 139.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 748 | G | 40.1 | Very low | 44.3 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 90% | 0.897 | 85% | 0.854 | S | S | * | * | cis | 145.2 | 118 | -14.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 749 | G | 40.5 | Very low | 44.6 | Very low | 83 Ų | 83 | 153.3 Ų | 153.3 | 86% | 0.856 | 87% | 0.874 | S | S | * | * | trans | 108.4 | 126.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 750 | G | 43.8 | Very low | 44.6 | Very low | 89 Ų | 89 | 156.4 Ų | 156.4 | 92% | 0.918 | 88% | 0.88 | S | S | * | * | trans | 78.6 | 147.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 751 | G | 41.4 | Very low | 44.7 | Very low | 75 Ų | 75 | 157.7 Ų | 157.7 | 77% | 0.773 | 88% | 0.882 | S | S | * | * | cis | 161.2 | 122.8 | -12.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 752 | N | 42.8 | Very low | 44.7 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 83% | 0.829 | 88% | 0.879 | S | S | * | * | trans | 56.3 | 104.4 | 154.4 | -101.3 | -33.5 | 0 | 0 | 0 | 119.4 | ||||
| 753 | R | 42.6 | Very low | 44.3 | Very low | 209 Ų | 209 | 160.6 Ų | 160.6 | 79% | 0.789 | 89% | 0.887 | S | S | * | * | 172.8 | 136 | 104.8 | -91.8 | 158.4 | -173.7 | -154.9 | 2.7 | 114.7 | |||||
| 754 | R | 43.6 | Very low | 44.4 | Very low | 206 Ų | 206 | 162.6 Ų | 162.6 | 78% | 0.777 | 89% | 0.89 | S | S | * | * | trans | 32 | 128.8 | 132.7 | -53.2 | -179.7 | -177.1 | 177 | -0.7 | 118 | ||||
| 755 | N | 50.9 | Low | 43.7 | Very low | 151 Ų | 151 | 163.3 Ų | 163.3 | 81% | 0.807 | 89% | 0.889 | S | S | * | * | cis | -157.9 | 150.9 | 44.5 | -77.6 | -71.8 | 0 | 0 | 0 | 112.9 | ||||
| 756 | Y | 40.5 | Very low | 43.7 | Very low | 228 Ų | 228 | 157.3 Ų | 157.3 | 89% | 0.894 | 89% | 0.885 | S | S | * | * | trans | -87.5 | 143.9 | 151.7 | -87.4 | -93.6 | 0 | 0 | 0 | 109.9 | ||||
| 757 | R | 50.7 | Low | 43.9 | Very low | 250 Ų | 250 | 163.5 Ų | 163.5 | 94% | 0.943 | 89% | 0.893 | S | S | * | * | trans | -136.1 | 129.3 | 152.4 | -128.9 | -177.8 | -170.1 | -160.6 | 1.9 | 108.9 | ||||
| 758 | R | 43 | Very low | 44 | Very low | 239 Ų | 239 | 169.7 Ų | 169.7 | 90% | 0.902 | 89% | 0.89 | S | S | * | * | trans | -85.7 | 141.6 | 173.4 | -60.9 | 177.1 | 177.3 | -179.1 | -2.5 | 109.2 | ||||
| 759 | M | 48 | Very low | 44.4 | Very low | 264 Ų | 264 | 177.2 Ų | 177.2 | 100% | 1.3 | 89% | 0.89 | S | S | * | * | -144.1 | 0 | 97.5 | -97.6 | -177 | 169.6 | 0 | 0 | 109.4 |
Retrieved 759 of 759 residues in 167.4 ms
(Link to these results)