| 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 | 55.2 | Low | 75.7 | Confident | 249 Ų | 249 | 159.4 Ų | 159.4 | 100% | 1.227 | 80% | 0.797 | S | S | * | * | 0 | 143 | 0 | -57.1 | -177 | -163.8 | 0 | 0 | 108.6 | |||||
| 2 | G | 73.1 | Confident | 76.8 | Confident | 74 Ų | 74 | 152.4 Ų | 152.4 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 143.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R4 | G2-R4 PolarHBondContact O-N 3.09Š|
| 3 | K | 74.6 | Confident | 77.9 | Confident | 215 Ų | 215 | 146.8 Ų | 146.8 | 94% | 0.935 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 122.8 | 168.4 | -63.3 | 177.3 | -178.2 | 177 | 0 | 108.2 | ||
| 4 | R | 74.8 | Confident | 78.4 | Confident | 226 Ų | 226 | 143.6 Ų | 143.6 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 145.5 | 169.6 | -55 | -170.6 | -154.3 | 94.2 | 0.9 | 108.8 | G2 N6 | G2-R4 PolarHBondContact O-N 3.09Å; R4-N6 PolarHBondContact O-N 2.89Å |
| 5 | D | 77.8 | Confident | 78.8 | Confident | 101 Ų | 101 | 137.7 Ų | 137.7 | 54% | 0.54 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -75.5 | 116.8 | 178.3 | -161.9 | -26.4 | 0 | 0 | 0 | 110 | R7 | D5-R7 PolarHBondContact O-N 3.01Å; D5-R7 VanDerWaalsContact OD1-CB 3.24Å; D5-R7 WeakPolarHBondContact OD1-CB 3.46Å; D5-R7 VanDerWaalsContact OD1-CG 3.25Å; D5-R7 WeakPolarHBondContact OD1-CG 3.42Å; D5-R7 IonicContact OD1-CZ 2.66Å; D5-R7 PolarHBondContact OD1-N 2.87Å; D5-R7 IonicContact OD1-NE 2.63Å; D5-R7 PolarHBondContact OD1-NE 3.23Å; D5-R7 IonicContact OD1-NH2 3.9Å; D5-R7 IonicContact OD2-CZ 2.59Å; D5-R7 VanDerWaalsContact OD2-CZ 3.22Å; D5-R7 IonicContact OD2-NE 2.85Å; D5-R7 PolarHBondContact OD2-NE 3.25Å; D5-R7 IonicContact OD2-NH2 3.36Å; D5-R7 PolarHBondContact OD2-NH2 3.36Å |
| 6 | N | 75.2 | Confident | 79.4 | Confident | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 68% | 0.681 | S | S | * | * | trans | -79.4 | 3.7 | 179.7 | -73.1 | -13.6 | 0 | 0 | 0 | 112.9 | R4 V8 | R4-N6 PolarHBondContact O-N 2.89Å; N6-V8 PolarHBondContact O-N 3.02Å | ||
| 7 | R | 77.9 | Confident | 79.7 | Confident | 205 Ų | 205 | 126.9 Ų | 126.9 | 77% | 0.774 | 67% | 0.672 | S | S | * | * | trans | -72.8 | 63.3 | 171.5 | -67 | 178.5 | -73 | -170.2 | 1.2 | 111.6 | D5 A9 | D5-R7 PolarHBondContact O-N 3.01Å; D5-R7 VanDerWaalsContact OD1-CB 3.24Å; D5-R7 WeakPolarHBondContact OD1-CB 3.46Å; D5-R7 VanDerWaalsContact OD1-CG 3.25Å; D5-R7 WeakPolarHBondContact OD1-CG 3.42Å; D5-R7 IonicContact OD1-CZ 2.66Å; D5-R7 PolarHBondContact OD1-N 2.87Å; D5-R7 IonicContact OD1-NE 2.63Å; D5-R7 PolarHBondContact OD1-NE 3.23Å; D5-R7 IonicContact OD1-NH2 3.9Å; D5-R7 IonicContact OD2-CZ 2.59Å; D5-R7 VanDerWaalsContact OD2-CZ 3.22Å; D5-R7 IonicContact OD2-NE 2.85Å; D5-R7 PolarHBondContact OD2-NE 3.25Å; D5-R7 IonicContact OD2-NH2 3.36Å; D5-R7 PolarHBondContact OD2-NH2 3.36Å; R7-A9 PolarHBondContact O-N 2.84Å; R7-A9 VanDerWaalsContact O-N 3.07Å | ||
| 8 | V | 72.8 | Confident | 80 | Confident | 130 Ų | 130 | 130.9 Ų | 130.9 | 79% | 0.788 | 68% | 0.676 | S | S | * | * | trans | -57.1 | 112.2 | 163.3 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | N6 Y10 | N6-V8 PolarHBondContact O-N 3.02Å; V8-Y10 PolarHBondContact O-N 3.02Å | ||
| 9 | A | 78 | Confident | 80.1 | Confident | 80 Ų | 80 | 128.6 Ų | 128.6 | 66% | 0.661 | 68% | 0.679 | S | S | * | * | trans | -60.2 | 115.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109 | R7 I11 | R7-A9 PolarHBondContact O-N 2.84Å; R7-A9 VanDerWaalsContact O-N 3.07Å; A9-I11 VanDerWaalsContact C-N 3.33Å; A9-I11 PolarHBondContact O-N 3.26Å | ||
| 10 | Y | 84.9 | Confident | 80.4 | Confident | 194 Ų | 194 | 131.6 Ų | 131.6 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | trans | -70 | 91 | 178.8 | 179.1 | -99.5 | 0 | 0 | 0 | 110 | V8 N12 | V8-Y10 PolarHBondContact O-N 3.02Å; Y10-N12 HydrophobicContact CE1-CB 4.36Å; Y10-N12 PolarHBondContact O-N 2.89Å; Y10-N12 VanDerWaalsContact O-N 3.17Å | ||
| 11 | I | 88.4 | Confident | 80.4 | Confident | 128 Ų | 128 | 126.6 Ų | 126.6 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | trans | -73.9 | 105.3 | 174.3 | -63.5 | 171.6 | 0 | 0 | 0 | 107.5 | A9 P13 A16 | A9-I11 VanDerWaalsContact C-N 3.33Å; A9-I11 PolarHBondContact O-N 3.26Å; I11-P13 WeakPolarHBondContact O-CD 3.49Å; I11-P13 VanDerWaalsContact O-N 3.12Å; I11-A16 HydrophobicContact CG2-CB 3.84Å | ||
| 12 | N | 89.4 | Confident | 81.6 | Confident | 76 Ų | 76 | 120.7 Ų | 120.7 | 41% | 0.406 | 65% | 0.647 | S | S | . | * | trans | -54.9 | 116.9 | 175.2 | 176.6 | -33.5 | 0 | 0 | 0 | 109.7 | Y10 I14 A15 A16 | Y10-N12 HydrophobicContact CE1-CB 4.36Å; Y10-N12 PolarHBondContact O-N 2.89Å; Y10-N12 VanDerWaalsContact O-N 3.17Å; N12-I14 VanDerWaalsContact C-N 3.28Å; N12-I14 PolarHBondContact O-N 3.3Å; N12-I14 WeakPolarHBondContact OD1-CB 3.32Å; N12-I14 PolarHBondContact OD1-N 2.81Å; N12-A15 HydrophobicContact CB-CB 3.96Å; N12-A15 WeakPolarHBondContact O-CB 3.31Å; N12-A15 PolarHBondContact O-N 3.24Å; N12-A15 VanDerWaalsContact O-N 3.11Å; N12-A15 PolarHBondContact OD1-N 2.91Å; N12-A15 VanDerWaalsContact OD1-N 3.14Å; N12-A16 PolarHBondContact O-N 2.84Å | ||
| 13 | P | 90.3 | Very high | 81.6 | Confident | 79 Ų | 79 | 123.6 Ų | 123.6 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.6 | -28.7 | -172.3 | 25.8 | -34.2 | 0 | 0 | 0 | 112.6 | I11 A16 A17 | I11-P13 WeakPolarHBondContact O-CD 3.49Å; I11-P13 VanDerWaalsContact O-N 3.12Å; P13-A16 PolarHBondContact O-N 3.26Å; P13-A17 VanDerWaalsContact O-CB 3.24Å; P13-A17 WeakPolarHBondContact O-CB 3.34Å; P13-A17 PolarHBondContact O-N 3.14Å |
| 14 | I | 84.8 | Confident | 81.5 | Confident | 103 Ų | 103 | 121.1 Ų | 121.1 | 53% | 0.528 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.7 | -39.4 | 175.4 | -54.7 | 174.5 | 0 | 0 | 0 | 110 | N12 R18 | N12-I14 VanDerWaalsContact C-N 3.28Å; N12-I14 PolarHBondContact O-N 3.3Å; N12-I14 WeakPolarHBondContact OD1-CB 3.32Å; N12-I14 PolarHBondContact OD1-N 2.81Å; I14-R18 WeakPolarHBondContact O-CB 3.46Å; I14-R18 WeakPolarHBondContact O-CG 3.4Å; I14-R18 PolarHBondContact O-N 3.39Å |
| 15 | A | 85.1 | Confident | 81.2 | Confident | 54 Ų | 54 | 118 Ų | 118 | 45% | 0.446 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.4 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N12 R18 A19 | N12-A15 HydrophobicContact CB-CB 3.96Å; N12-A15 WeakPolarHBondContact O-CB 3.31Å; N12-A15 PolarHBondContact O-N 3.24Å; N12-A15 VanDerWaalsContact O-N 3.11Å; N12-A15 PolarHBondContact OD1-N 2.91Å; N12-A15 VanDerWaalsContact OD1-N 3.14Å; A15-R18 PolarHBondContact O-N 2.75Å; A15-A19 WeakPolarHBondContact O-CB 3.2Å; A15-A19 PolarHBondContact O-N 2.65Å |
| 16 | A | 88.5 | Confident | 81.2 | Confident | 28 Ų | 28 | 118.4 Ų | 118.4 | 23% | 0.231 | 65% | 0.652 | C | S | . | * | H | α-helix | trans | -63.4 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I11 N12 P13 A19 K20 | I11-A16 HydrophobicContact CG2-CB 3.84Å; N12-A16 PolarHBondContact O-N 2.84Å; P13-A16 PolarHBondContact O-N 3.26Å; A16-A19 PolarHBondContact O-N 2.7Å; A16-K20 WeakPolarHBondContact O-CB 3.48Å; A16-K20 WeakPolarHBondContact O-CG 3.37Å; A16-K20 PolarHBondContact O-N 3.24Å |
| 17 | A | 84.6 | Confident | 81.6 | Confident | 64 Ų | 64 | 114.1 Ų | 114.1 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.5 | -36.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P13 G21 | P13-A17 VanDerWaalsContact O-CB 3.24Å; P13-A17 WeakPolarHBondContact O-CB 3.34Å; P13-A17 PolarHBondContact O-N 3.14Å; A17-G21 PolarHBondContact O-N 3.22Å |
| 18 | R | 84.4 | Confident | 81.9 | Confident | 199 Ų | 199 | 106.8 Ų | 106.8 | 75% | 0.751 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.5 | -40.1 | 173.5 | -74.3 | 171 | -176.6 | -177.7 | 3.1 | 112.5 | I14 A15 G21 | I14-R18 WeakPolarHBondContact O-CB 3.46Å; I14-R18 WeakPolarHBondContact O-CG 3.4Å; I14-R18 PolarHBondContact O-N 3.39Å; A15-R18 PolarHBondContact O-N 2.75Å; R18-G21 PolarHBondContact O-N 3.1Å |
| 19 | A | 82.9 | Confident | 82.5 | Confident | 88 Ų | 88 | 104 Ų | 104 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.3 | -31.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A15 A16 | A15-A19 WeakPolarHBondContact O-CB 3.2Å; A15-A19 PolarHBondContact O-N 2.65Å; A16-A19 PolarHBondContact O-N 2.7Å |
| 20 | K | 85.5 | Confident | 82.8 | Confident | 188 Ų | 188 | 106.5 Ų | 106.5 | 82% | 0.817 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -85 | -9.7 | 172.1 | -67.5 | 179.3 | 178.7 | -174.7 | 0 | 113.6 | A16 | A16-K20 WeakPolarHBondContact O-CB 3.48Å; A16-K20 WeakPolarHBondContact O-CG 3.37Å; A16-K20 PolarHBondContact O-N 3.24Å |
| 21 | G | 80.2 | Confident | 82.9 | Confident | 27 Ų | 27 | 103.6 Ų | 103.6 | 28% | 0.278 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -77 | 163.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A17 R18 V23 | A17-G21 PolarHBondContact O-N 3.22Å; R18-G21 PolarHBondContact O-N 3.1Å; G21-V23 PolarHBondContact O-N 2.95Å |
| 22 | P | 79.4 | Confident | 82.9 | Confident | 125 Ų | 125 | 101.3 Ų | 101.3 | 81% | 0.812 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 131.1 | 172.4 | -24.5 | 34.5 | 0 | 0 | 0 | 111.2 | Q24 | P22-Q24 PolarHBondContact O-N 2.77Å; P22-Q24 VanDerWaalsContact O-N 3.14Å |
| 23 | V | 74.4 | Confident | 82.6 | Confident | 134 Ų | 134 | 104.3 Ų | 104.3 | 81% | 0.812 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 120.3 | -177.8 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | G21 N25 | G21-V23 PolarHBondContact O-N 2.95Å; V23-N25 PolarHBondContact O-N 2.77Å |
| 24 | Q | 72.5 | Confident | 82.5 | Confident | 163 Ų | 163 | 106.5 Ų | 106.5 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 134.1 | 175.8 | -68.3 | -77.9 | -74.9 | 0 | 0 | 109.4 | P22 S26 | P22-Q24 PolarHBondContact O-N 2.77Å; P22-Q24 VanDerWaalsContact O-N 3.14Å; Q24-S26 PolarHBondContact O-N 2.91Å |
| 25 | N | 68.6 | Low | 82.7 | Confident | 161 Ų | 161 | 106.4 Ų | 106.4 | 86% | 0.861 | 61% | 0.611 | S | S | * | * | trans | -73 | 64.2 | -168.6 | -46.7 | 86.7 | 0 | 0 | 0 | 112.6 | V23 G27 | V23-N25 PolarHBondContact O-N 2.77Å; N25-G27 PolarHBondContact O-N 3.44Å | ||
| 26 | S | 77.7 | Confident | 82.8 | Confident | 110 Ų | 110 | 109.6 Ų | 109.6 | 77% | 0.769 | 61% | 0.611 | S | S | * | * | trans | -75.7 | 47.9 | -169.8 | -172.6 | 0 | 0 | 0 | 0 | 113.6 | Q24 | Q24-S26 PolarHBondContact O-N 2.91Š| ||
| 27 | G | 82.4 | Confident | 82.6 | Confident | 61 Ų | 61 | 114.2 Ų | 114.2 | 63% | 0.629 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 66 | -157.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N25 | N25-G27 PolarHBondContact O-N 3.44Š|
| 28 | P | 84.1 | Confident | 82.6 | Confident | 51 Ų | 51 | 121.2 Ų | 121.2 | 33% | 0.331 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -66.5 | 138.5 | 166.5 | -11.2 | 27.8 | 0 | 0 | 0 | 109.9 | D32 Y33 | P28-D32 WeakPolarHBondContact CA-OD2 3.16Å; P28-D32 HydrophobicContact CB-CB 3.58Å; P28-D32 WeakPolarHBondContact CB-OD2 3.32Å; P28-Y33 HydrophobicContact CB-CD2 4.39Å; P28-Y33 HydrophobicContact CB-CE2 3.79Å; P28-Y33 HydrophobicContact CG-CE2 4.14Å |
| 29 | T | 86.6 | Confident | 82.4 | Confident | 71 Ų | 71 | 115 Ų | 115 | 44% | 0.436 | 64% | 0.637 | S | S | . | * | trans | -67.3 | 162.9 | 175 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | Q31 D32 Y33 | T29-Q31 HydrophobicContact CG2-CB 4.06Å; T29-Q31 PolarHBondContact O-N 2.8Å; T29-D32 HydrophobicContact CG2-CB 4.19Å; T29-D32 WeakPolarHBondContact CG2-OD1 3.26Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.34Å; T29-D32 PolarHBondContact N-OD2 2.91Å; T29-D32 WeakPolarHBondContact O-CA 3.03Å; T29-D32 VanDerWaalsContact O-CB 3.25Å; T29-D32 WeakPolarHBondContact O-CB 3.49Å; T29-D32 PolarHBondContact O-N 3.09Å; T29-Y33 VanDerWaalsContact O-CD2 3.32Å; T29-Y33 WeakPolarHBondContact O-CD2 3.3Å; T29-Y33 PolarHBondContact O-N 3.11Å | ||
| 30 | I | 83.3 | Confident | 82.4 | Confident | 132 Ų | 132 | 114 Ų | 114 | 68% | 0.677 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -56.3 | -36 | 176.8 | -63.4 | 170 | 0 | 0 | 0 | 110.6 | D32 Y33 L34 | I30-D32 VanDerWaalsContact C-N 3.33Å; I30-D32 PolarHBondContact O-N 3.06Å; I30-Y33 PolarHBondContact O-N 2.99Å; I30-L34 HydrophobicContact CG2-CD1 4.23Å; I30-L34 PolarHBondContact O-N 3.49Å; I30-L34 VanDerWaalsContact O-N 3.1Å |
| 31 | Q | 87.3 | Confident | 82 | Confident | 134 Ų | 134 | 115.2 Ų | 115.2 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.3 | -38.5 | 171.8 | -69.3 | 173.2 | -25.8 | 0 | 0 | 112.2 | T29 Y33 L34 S35 | T29-Q31 HydrophobicContact CG2-CB 4.06Å; T29-Q31 PolarHBondContact O-N 2.8Å; Q31-Y33 PolarHBondContact O-N 3.46Å; Q31-Y33 VanDerWaalsContact O-N 3.12Å; Q31-L34 PolarHBondContact O-N 3.27Å; Q31-S35 VanDerWaalsContact O-CB 3.31Å; Q31-S35 WeakPolarHBondContact O-CB 3.41Å; Q31-S35 PolarHBondContact O-N 2.82Å; Q31-S35 PolarHBondContact O-OG 3.47Å |
| 32 | D | 88.1 | Confident | 82 | Confident | 80 Ų | 80 | 121.2 Ų | 121.2 | 43% | 0.428 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.2 | -12.6 | 175 | -61.4 | -25.5 | 0 | 0 | 0 | 112.8 | P28 T29 I30 R36 | P28-D32 WeakPolarHBondContact CA-OD2 3.16Å; P28-D32 HydrophobicContact CB-CB 3.58Å; P28-D32 WeakPolarHBondContact CB-OD2 3.32Å; T29-D32 HydrophobicContact CG2-CB 4.19Å; T29-D32 WeakPolarHBondContact CG2-OD1 3.26Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.34Å; T29-D32 PolarHBondContact N-OD2 2.91Å; T29-D32 WeakPolarHBondContact O-CA 3.03Å; T29-D32 VanDerWaalsContact O-CB 3.25Å; T29-D32 WeakPolarHBondContact O-CB 3.49Å; T29-D32 PolarHBondContact O-N 3.09Å; I30-D32 VanDerWaalsContact C-N 3.33Å; I30-D32 PolarHBondContact O-N 3.06Å; D32-R36 WeakPolarHBondContact O-CD 3.05Å; D32-R36 VanDerWaalsContact O-CG 3.28Å; D32-R36 WeakPolarHBondContact O-CG 3.45Å; D32-R36 PolarHBondContact O-NE 3.17Å; D32-R36 PolarHBondContact O-NH2 3.23Å |
| 33 | Y | 84.4 | Confident | 81.9 | Confident | 138 Ų | 138 | 120 Ų | 120 | 54% | 0.541 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -93.5 | -39.9 | 171 | -72.1 | -84.4 | 0 | 0 | 0 | 111.9 | P28 T29 I30 Q31 | P28-Y33 HydrophobicContact CB-CD2 4.39Å; P28-Y33 HydrophobicContact CB-CE2 3.79Å; P28-Y33 HydrophobicContact CG-CE2 4.14Å; T29-Y33 VanDerWaalsContact O-CD2 3.32Å; T29-Y33 WeakPolarHBondContact O-CD2 3.3Å; T29-Y33 PolarHBondContact O-N 3.11Å; I30-Y33 PolarHBondContact O-N 2.99Å; Q31-Y33 PolarHBondContact O-N 3.46Å; Q31-Y33 VanDerWaalsContact O-N 3.12Å |
| 34 | L | 88.3 | Confident | 82.3 | Confident | 125 Ų | 125 | 116.5 Ų | 116.5 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.5 | -37.4 | 177.8 | -65 | 173.6 | 0 | 0 | 0 | 112.5 | I30 Q31 R36 | I30-L34 HydrophobicContact CG2-CD1 4.23Å; I30-L34 PolarHBondContact O-N 3.49Å; I30-L34 VanDerWaalsContact O-N 3.1Å; Q31-L34 PolarHBondContact O-N 3.27Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.78Å |
| 35 | S | 87.6 | Confident | 82.7 | Confident | 101 Ų | 101 | 114.9 Ų | 114.9 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 9.4 | -179.1 | -57.5 | 0 | 0 | 0 | 0 | 114.5 | Q31 | Q31-S35 VanDerWaalsContact O-CB 3.31Å; Q31-S35 WeakPolarHBondContact O-CB 3.41Å; Q31-S35 PolarHBondContact O-N 2.82Å; Q31-S35 PolarHBondContact O-OG 3.47Å |
| 36 | R | 88.5 | Confident | 83.2 | Confident | 121 Ų | 121 | 111.6 Ų | 111.6 | 46% | 0.457 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -73.8 | 140 | 173.6 | -76.1 | 172.3 | -160.6 | -152.6 | 3.9 | 110.4 | D32 L34 R38 | D32-R36 WeakPolarHBondContact O-CD 3.05Å; D32-R36 VanDerWaalsContact O-CG 3.28Å; D32-R36 WeakPolarHBondContact O-CG 3.45Å; D32-R36 PolarHBondContact O-NE 3.17Å; D32-R36 PolarHBondContact O-NH2 3.23Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.78Å; R36-R38 PolarHBondContact O-N 3.16Å |
| 37 | P | 84.3 | Confident | 83.2 | Confident | 125 Ų | 125 | 110.4 Ų | 110.4 | 81% | 0.812 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.7 | 159.3 | 26.7 | -32.4 | 0 | 0 | 0 | 107.3 | ||
| 38 | R | 84.4 | Confident | 82.9 | Confident | 212 Ų | 212 | 112.2 Ų | 112.2 | 80% | 0.8 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 131.8 | 173.6 | -62.2 | -176.4 | -178.4 | -161.8 | 1 | 106.8 | R36 T40 | R36-R38 PolarHBondContact O-N 3.16Å; R38-T40 PolarHBondContact O-N 3.16Å |
| 39 | P | 80.4 | Confident | 82.5 | Confident | 67 Ų | 67 | 113 Ų | 113 | 44% | 0.435 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 134.5 | 179.8 | 26.6 | -34.6 | 0 | 0 | 0 | 109 | E43 L44 | P39-E43 VanDerWaalsContact CA-OE2 3.27Å; P39-E43 WeakPolarHBondContact CA-OE2 3.48Å; P39-L44 HydrophobicContact CB-CD2 4.21Å; P39-L44 HydrophobicContact CB-CG 4.2Å; P39-L44 HydrophobicContact CG-CD1 4.43Å; P39-L44 HydrophobicContact CG-CD2 4.03Å; P39-L44 HydrophobicContact CG-CG 4.22Å |
| 40 | T | 82.6 | Confident | 81.9 | Confident | 67 Ų | 67 | 115.3 Ų | 115.3 | 41% | 0.411 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -68 | 159.7 | -177.9 | 72.3 | 0 | 0 | 0 | 0 | 110.2 | R38 E42 E43 L44 | R38-T40 PolarHBondContact O-N 3.16Å; T40-E42 PolarHBondContact O-N 3.18Å; T40-E43 PolarHBondContact N-OE2 2.93Å; T40-E43 PolarHBondContact O-N 2.79Å; T40-E43 WeakPolarHBondContact OG1-CG 3.36Å; T40-E43 PolarHBondContact OG1-N 2.74Å; T40-L44 WeakPolarHBondContact O-CG 3.45Å; T40-L44 PolarHBondContact O-N 2.7Å |
| 41 | W | 77.8 | Confident | 81.5 | Confident | 214 Ų | 214 | 115.6 Ų | 115.6 | 81% | 0.811 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61 | -29.6 | 176.1 | -165.8 | -114.3 | 0 | 0 | 0 | 111.8 | L44 K45 | W41-L44 HydrophobicContact CE3-CD1 4.09Å; W41-L44 HydrophobicContact CZ3-CD1 4.39Å; W41-L44 PolarHBondContact O-N 3.43Å; W41-K45 VanDerWaalsContact O-CB 3.31Å; W41-K45 WeakPolarHBondContact O-CB 3.36Å; W41-K45 PolarHBondContact O-N 2.91Å |
| 42 | E | 79.4 | Confident | 80.7 | Confident | 154 Ų | 154 | 117 Ų | 117 | 72% | 0.72 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.6 | -46.2 | 174.4 | -57.3 | 179.2 | 149.7 | 0 | 0 | 111.7 | T40 L44 K45 E46 | T40-E42 PolarHBondContact O-N 3.18Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.12Å; E42-K45 PolarHBondContact O-N 3.18Å; E42-E46 VanDerWaalsContact O-CB 3.31Å; E42-E46 WeakPolarHBondContact O-CB 3.21Å; E42-E46 PolarHBondContact O-N 3.3Å |
| 43 | E | 78.2 | Confident | 79.7 | Confident | 98 Ų | 98 | 119 Ų | 119 | 46% | 0.458 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.7 | -37.6 | 172.5 | -73.1 | 178.7 | 159.6 | 0 | 0 | 112 | P39 T40 E46 Q47 | P39-E43 VanDerWaalsContact CA-OE2 3.27Å; P39-E43 WeakPolarHBondContact CA-OE2 3.48Å; T40-E43 PolarHBondContact N-OE2 2.93Å; T40-E43 PolarHBondContact O-N 2.79Å; T40-E43 WeakPolarHBondContact OG1-CG 3.36Å; T40-E43 PolarHBondContact OG1-N 2.74Å; E43-E46 PolarHBondContact O-N 2.75Å; E43-Q47 VanDerWaalsContact O-CB 3.26Å; E43-Q47 WeakPolarHBondContact O-CB 3.46Å; E43-Q47 WeakPolarHBondContact O-CG 3.22Å; E43-Q47 PolarHBondContact O-N 2.95Å |
| 44 | L | 82.1 | Confident | 78.4 | Confident | 61 Ų | 61 | 115.3 Ų | 115.3 | 32% | 0.319 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.2 | -40.6 | 175.2 | -72.3 | 176.3 | 0 | 0 | 0 | 112.1 | P39 T40 W41 E42 Q47 L48 | P39-L44 HydrophobicContact CB-CD2 4.21Å; P39-L44 HydrophobicContact CB-CG 4.2Å; P39-L44 HydrophobicContact CG-CD1 4.43Å; P39-L44 HydrophobicContact CG-CD2 4.03Å; P39-L44 HydrophobicContact CG-CG 4.22Å; T40-L44 WeakPolarHBondContact O-CG 3.45Å; T40-L44 PolarHBondContact O-N 2.7Å; W41-L44 HydrophobicContact CE3-CD1 4.09Å; W41-L44 HydrophobicContact CZ3-CD1 4.39Å; W41-L44 PolarHBondContact O-N 3.43Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.12Å; L44-Q47 PolarHBondContact O-N 2.68Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.3Å |
| 45 | K | 80.9 | Confident | 76.8 | Confident | 129 Ų | 129 | 112.8 Ų | 112.8 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.5 | -46.3 | 172.7 | -177.2 | -177.1 | 175.7 | -172.7 | 0 | 110.7 | W41 E42 Q47 L48 E49 | W41-K45 VanDerWaalsContact O-CB 3.31Å; W41-K45 WeakPolarHBondContact O-CB 3.36Å; W41-K45 PolarHBondContact O-N 2.91Å; E42-K45 PolarHBondContact O-N 3.18Å; K45-Q47 PolarHBondContact O-N 3.3Å; K45-L48 PolarHBondContact O-N 3.17Å; K45-E49 WeakPolarHBondContact O-CB 3.41Å; K45-E49 WeakPolarHBondContact O-CG 3.27Å; K45-E49 PolarHBondContact O-N 3.4Å |
| 46 | E | 79.1 | Confident | 75.6 | Confident | 92 Ų | 92 | 115.5 Ų | 115.5 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.7 | -34.5 | 178.8 | -158.8 | -130.3 | -169.8 | 0 | 0 | 111.9 | E42 E43 E49 K50 | E42-E46 VanDerWaalsContact O-CB 3.31Å; E42-E46 WeakPolarHBondContact O-CB 3.21Å; E42-E46 PolarHBondContact O-N 3.3Å; E43-E46 PolarHBondContact O-N 2.75Å; E46-E49 PolarHBondContact O-N 3.37Å; E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.42Å; E46-K50 VanDerWaalsContact O-CG 3.26Å; E46-K50 WeakPolarHBondContact O-CG 3.19Å; E46-K50 PolarHBondContact O-N 3.2Å; E46-K50 WeakPolarHBondContact OE1-CE 3.45Å; E46-K50 IonicContact OE1-NZ 2.67Å; E46-K50 PolarHBondContact OE1-NZ 3.45Å; E46-K50 VanDerWaalsContact OE2-CE 3.3Å; E46-K50 WeakPolarHBondContact OE2-CE 3.49Å; E46-K50 IonicContact OE2-NZ 3.99Å; E46-K50 PolarHBondContact OE2-NZ 2.76Å |
| 47 | Q | 78.3 | Confident | 74.5 | Confident | 86 Ų | 86 | 113.5 Ų | 113.5 | 40% | 0.402 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.1 | -39.2 | 170.2 | -78.2 | -178.8 | 41 | 0 | 0 | 112.9 | E43 L44 K45 E49 K50 K51 | E43-Q47 VanDerWaalsContact O-CB 3.26Å; E43-Q47 WeakPolarHBondContact O-CB 3.46Å; E43-Q47 WeakPolarHBondContact O-CG 3.22Å; E43-Q47 PolarHBondContact O-N 2.95Å; L44-Q47 PolarHBondContact O-N 2.68Å; K45-Q47 PolarHBondContact O-N 3.3Å; Q47-E49 VanDerWaalsContact C-N 3.33Å; Q47-K50 PolarHBondContact O-N 2.9Å; Q47-K51 WeakPolarHBondContact O-CB 3.39Å; Q47-K51 VanDerWaalsContact O-CG 3.26Å; Q47-K51 WeakPolarHBondContact O-CG 3.39Å; Q47-K51 PolarHBondContact O-N 2.87Å |
| 48 | L | 76.4 | Confident | 73.4 | Confident | 99 Ų | 99 | 112.8 Ų | 112.8 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 172.6 | -83.2 | 165.9 | 0 | 0 | 0 | 110.9 | L44 K45 K51 K52 | L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.3Å; K45-L48 PolarHBondContact O-N 3.17Å; L48-K51 PolarHBondContact O-N 2.84Å; L48-K52 WeakPolarHBondContact O-CB 3.13Å; L48-K52 VanDerWaalsContact O-CG 3.28Å; L48-K52 WeakPolarHBondContact O-CG 3.28Å; L48-K52 PolarHBondContact O-N 2.89Å |
| 49 | E | 75 | Confident | 72.7 | Confident | 67 Ų | 67 | 104.4 Ų | 104.4 | 31% | 0.313 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 172 | -78.5 | -172.2 | -139.1 | 0 | 0 | 112.3 | K45 E46 Q47 K51 K52 K53 | K45-E49 WeakPolarHBondContact O-CB 3.41Å; K45-E49 WeakPolarHBondContact O-CG 3.27Å; K45-E49 PolarHBondContact O-N 3.4Å; E46-E49 PolarHBondContact O-N 3.37Å; Q47-E49 VanDerWaalsContact C-N 3.33Å; E49-K51 VanDerWaalsContact C-N 3.28Å; E49-K51 PolarHBondContact O-N 2.97Å; E49-K52 PolarHBondContact O-N 2.59Å; E49-K53 HydrophobicContact CB-CD 4.41Å; E49-K53 WeakPolarHBondContact O-CB 3.38Å; E49-K53 WeakPolarHBondContact O-CD 3.24Å; E49-K53 WeakPolarHBondContact O-CG 3.4Å; E49-K53 PolarHBondContact O-N 3.31Å; E49-K53 WeakPolarHBondContact OE2-CE 3.44Å; E49-K53 IonicContact OE2-NZ 3.22Å; E49-K53 PolarHBondContact OE2-NZ 3.4Å |
| 50 | K | 74.4 | Confident | 72.2 | Confident | 119 Ų | 119 | 105.3 Ų | 105.3 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -31.6 | 173.8 | -78.3 | 168.3 | 175.1 | 168 | 0 | 112.2 | E46 Q47 G54 | E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.42Å; E46-K50 VanDerWaalsContact O-CG 3.26Å; E46-K50 WeakPolarHBondContact O-CG 3.19Å; E46-K50 PolarHBondContact O-N 3.2Å; E46-K50 WeakPolarHBondContact OE1-CE 3.45Å; E46-K50 IonicContact OE1-NZ 2.67Å; E46-K50 PolarHBondContact OE1-NZ 3.45Å; E46-K50 VanDerWaalsContact OE2-CE 3.3Å; E46-K50 WeakPolarHBondContact OE2-CE 3.49Å; E46-K50 IonicContact OE2-NZ 3.99Å; E46-K50 PolarHBondContact OE2-NZ 2.76Å; Q47-K50 PolarHBondContact O-N 2.9Å; K50-G54 WeakPolarHBondContact O-CA 3.47Å; K50-G54 PolarHBondContact O-N 2.79Å |
| 51 | K | 74.1 | Confident | 71.6 | Confident | 139 Ų | 139 | 108.4 Ų | 108.4 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70 | -47.8 | 170.8 | -74 | 165.1 | -177.8 | 170.8 | 0 | 111.5 | Q47 L48 E49 K53 G54 | Q47-K51 WeakPolarHBondContact O-CB 3.39Å; Q47-K51 VanDerWaalsContact O-CG 3.26Å; Q47-K51 WeakPolarHBondContact O-CG 3.39Å; Q47-K51 PolarHBondContact O-N 2.87Å; L48-K51 PolarHBondContact O-N 2.84Å; E49-K51 VanDerWaalsContact C-N 3.28Å; E49-K51 PolarHBondContact O-N 2.97Å; K51-K53 VanDerWaalsContact C-N 3.32Å; K51-K53 PolarHBondContact O-N 3.31Å; K51-G54 PolarHBondContact O-N 2.65Å; K51-G54 VanDerWaalsContact O-N 3.09Å |
| 52 | K | 70.3 | Confident | 71.4 | Confident | 164 Ų | 164 | 103.5 Ų | 103.5 | 71% | 0.713 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59 | -39.8 | 173.5 | -71.9 | 170.7 | 178.9 | -177 | 0 | 112.4 | L48 E49 | L48-K52 WeakPolarHBondContact O-CB 3.13Å; L48-K52 VanDerWaalsContact O-CG 3.28Å; L48-K52 WeakPolarHBondContact O-CG 3.28Å; L48-K52 PolarHBondContact O-N 2.89Å; E49-K52 PolarHBondContact O-N 2.59Å |
| 53 | K | 66.4 | Low | 71.1 | Confident | 122 Ų | 122 | 100.6 Ų | 100.6 | 53% | 0.53 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -78.5 | -18.5 | 176.2 | -65 | 163 | -167.4 | 173.2 | 0 | 112.4 | E49 K51 R56 | E49-K53 HydrophobicContact CB-CD 4.41Å; E49-K53 WeakPolarHBondContact O-CB 3.38Å; E49-K53 WeakPolarHBondContact O-CD 3.24Å; E49-K53 WeakPolarHBondContact O-CG 3.4Å; E49-K53 PolarHBondContact O-N 3.31Å; E49-K53 WeakPolarHBondContact OE2-CE 3.44Å; E49-K53 IonicContact OE2-NZ 3.22Å; E49-K53 PolarHBondContact OE2-NZ 3.4Å; K51-K53 VanDerWaalsContact C-N 3.32Å; K51-K53 PolarHBondContact O-N 3.31Å; K53-R56 WeakPolarHBondContact O-CB 3.42Å; K53-R56 PolarHBondContact O-N 2.75Å; K53-R56 VanDerWaalsContact O-N 3.16Å |
| 54 | G | 57.1 | Low | 71.2 | Confident | 59 Ų | 59 | 102.1 Ų | 102.1 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67 | -35.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K50 K51 R56 | K50-G54 WeakPolarHBondContact O-CA 3.47Å; K50-G54 PolarHBondContact O-N 2.79Å; K51-G54 PolarHBondContact O-N 2.65Å; K51-G54 VanDerWaalsContact O-N 3.09Å; G54-R56 PolarHBondContact O-N 3.3Å |
| 55 | S | 56.3 | Low | 70.6 | Confident | 72 Ų | 72 | 102.8 Ų | 102.8 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -6.8 | 172.7 | -49.9 | 0 | 0 | 0 | 0 | 113.9 | A57 L58 A59 | S55-A57 VanDerWaalsContact C-N 3.29Å; S55-A57 PolarHBondContact O-N 3.44Å; S55-L58 WeakPolarHBondContact O-CB 3.31Å; S55-L58 PolarHBondContact O-N 3.38Å; S55-A59 PolarHBondContact O-N 2.88Å; S55-A59 VanDerWaalsContact O-N 3.16Å |
| 56 | R | 61.6 | Low | 70.4 | Confident | 159 Ų | 159 | 99.9 Ų | 99.9 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.2 | -39.1 | -171.8 | -169.7 | 68.8 | 174.6 | -134 | -6.1 | 112.5 | K53 G54 L58 A59 D60 | K53-R56 WeakPolarHBondContact O-CB 3.42Å; K53-R56 PolarHBondContact O-N 2.75Å; K53-R56 VanDerWaalsContact O-N 3.16Å; G54-R56 PolarHBondContact O-N 3.3Å; R56-L58 PolarHBondContact O-N 3.37Å; R56-A59 PolarHBondContact O-N 3.5Å; R56-A59 VanDerWaalsContact O-N 3.15Å; R56-D60 IonicContact NE-OD1 3.96Å; R56-D60 PolarHBondContact NE-OD1 2.75Å; R56-D60 WeakPolarHBondContact O-CB 3.39Å; R56-D60 PolarHBondContact O-N 2.91Å |
| 57 | A | 64.9 | Low | 70.3 | Confident | 79 Ų | 79 | 100.1 Ų | 100.1 | 65% | 0.653 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.8 | -18.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S55 | S55-A57 VanDerWaalsContact C-N 3.29Å; S55-A57 PolarHBondContact O-N 3.44Å |
| 58 | L | 62.6 | Low | 70.3 | Confident | 110 Ų | 110 | 104.3 Ų | 104.3 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -82.6 | -46.1 | 168.1 | -79 | 165.3 | 0 | 0 | 0 | 110.4 | S55 R56 D60 F61 E62 | S55-L58 WeakPolarHBondContact O-CB 3.31Å; S55-L58 PolarHBondContact O-N 3.38Å; R56-L58 PolarHBondContact O-N 3.37Å; L58-D60 VanDerWaalsContact C-N 3.35Å; L58-D60 PolarHBondContact O-N 2.97Å; L58-F61 CarbonylContact O-C 3.59Å; L58-F61 WeakPolarHBondContact O-CA 3.3Å; L58-F61 WeakPolarHBondContact O-CB 3.19Å; L58-F61 PolarHBondContact O-N 2.66Å; L58-E62 WeakPolarHBondContact O-CG 3.45Å; L58-E62 PolarHBondContact O-N 2.9Å |
| 59 | A | 69.3 | Low | 70.4 | Confident | 35 Ų | 35 | 106.9 Ų | 106.9 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.7 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S55 R56 F61 E62 D63 | S55-A59 PolarHBondContact O-N 2.88Å; S55-A59 VanDerWaalsContact O-N 3.16Å; R56-A59 PolarHBondContact O-N 3.5Å; R56-A59 VanDerWaalsContact O-N 3.15Å; A59-F61 PolarHBondContact O-N 2.8Å; A59-E62 PolarHBondContact O-N 3.36Å; A59-D63 WeakPolarHBondContact O-CB 3.47Å; A59-D63 PolarHBondContact O-N 3.21Å |
| 60 | D | 70.3 | Confident | 70.8 | Confident | 86 Ų | 86 | 113.1 Ų | 113.1 | 46% | 0.46 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -21.6 | 176.9 | -58.6 | -27.7 | 0 | 0 | 0 | 112.5 | R56 L58 K64 | R56-D60 IonicContact NE-OD1 3.96Å; R56-D60 PolarHBondContact NE-OD1 2.75Å; R56-D60 WeakPolarHBondContact O-CB 3.39Å; R56-D60 PolarHBondContact O-N 2.91Å; L58-D60 VanDerWaalsContact C-N 3.35Å; L58-D60 PolarHBondContact O-N 2.97Å; D60-K64 WeakPolarHBondContact O-CB 3.12Å |
| 61 | F | 68.3 | Low | 71.1 | Confident | 133 Ų | 133 | 113.5 Ų | 113.5 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -88 | -39.7 | 174.5 | -179 | -91.6 | 0 | 0 | 0 | 112.2 | L58 A59 K64 M65 | L58-F61 CarbonylContact O-C 3.59Å; L58-F61 WeakPolarHBondContact O-CA 3.3Å; L58-F61 WeakPolarHBondContact O-CB 3.19Å; L58-F61 PolarHBondContact O-N 2.66Å; A59-F61 PolarHBondContact O-N 2.8Å; F61-K64 WeakPolarHBondContact O-CB 3.25Å; F61-K64 PolarHBondContact O-N 3.23Å; F61-M65 PolarHBondContact O-N 3.06Å |
| 62 | E | 73.8 | Confident | 71.3 | Confident | 110 Ų | 110 | 111 Ų | 111 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 172.6 | -71.9 | 164.7 | -164.5 | 0 | 0 | 110.6 | L58 A59 K64 M65 N66 | L58-E62 WeakPolarHBondContact O-CG 3.45Å; L58-E62 PolarHBondContact O-N 2.9Å; A59-E62 PolarHBondContact O-N 3.36Å; E62-K64 VanDerWaalsContact C-N 3.29Å; E62-K64 PolarHBondContact O-N 3.42Å; E62-M65 CarbonylContact O-C 3.59Å; E62-M65 WeakPolarHBondContact O-CA 3.3Å; E62-M65 WeakPolarHBondContact O-CB 3.45Å; E62-M65 PolarHBondContact O-N 3.18Å; E62-N66 VanDerWaalsContact O-CG 3.28Å; E62-N66 PolarHBondContact O-N 3.18Å; E62-N66 PolarHBondContact O-ND2 3.49Å |
| 63 | D | 74.3 | Confident | 71.8 | Confident | 93 Ų | 93 | 109.2 Ų | 109.2 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -35.4 | 175 | -83 | -24.6 | 0 | 0 | 0 | 112.5 | A59 M65 N66 E67 | A59-D63 WeakPolarHBondContact O-CB 3.47Å; A59-D63 PolarHBondContact O-N 3.21Å; D63-M65 PolarHBondContact O-N 3.35Å; D63-N66 CarbonylContact O-C 3.47Å; D63-N66 PolarHBondContact O-N 3.5Å; D63-E67 WeakPolarHBondContact O-CB 3.39Å; D63-E67 PolarHBondContact O-N 2.79Å |
| 64 | K | 79.1 | Confident | 72.4 | Confident | 130 Ų | 130 | 106.1 Ų | 106.1 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.5 | -24.7 | 174.1 | -173.3 | 174.3 | -177.3 | 174 | 0 | 113.4 | D60 F61 E62 | D60-K64 WeakPolarHBondContact O-CB 3.12Å; F61-K64 WeakPolarHBondContact O-CB 3.25Å; F61-K64 PolarHBondContact O-N 3.23Å; E62-K64 VanDerWaalsContact C-N 3.29Å; E62-K64 PolarHBondContact O-N 3.42Å |
| 65 | M | 69.9 | Low | 73.5 | Confident | 76 Ų | 76 | 108.5 Ų | 108.5 | 37% | 0.374 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -84 | -44 | 170.5 | -68.7 | -68.7 | -74.8 | 0 | 0 | 111 | F61 E62 D63 E67 R68 W69 | F61-M65 PolarHBondContact O-N 3.06Å; E62-M65 CarbonylContact O-C 3.59Å; E62-M65 WeakPolarHBondContact O-CA 3.3Å; E62-M65 WeakPolarHBondContact O-CB 3.45Å; E62-M65 PolarHBondContact O-N 3.18Å; D63-M65 PolarHBondContact O-N 3.35Å; M65-E67 VanDerWaalsContact C-N 3.26Å; M65-E67 PolarHBondContact O-N 3.45Å; M65-R68 WeakPolarHBondContact O-CB 3.31Å; M65-R68 PolarHBondContact O-N 2.76Å; M65-W69 HydrophobicContact CB-CH2 4.36Å; M65-W69 HydrophobicContact CB-CZ3 4.18Å; M65-W69 HydrophobicContact CE-CH2 4.48Å; M65-W69 HydrophobicContact CE-CZ2 4.34Å; M65-W69 PolarHBondContact O-N 3.36Å |
| 66 | N | 76.3 | Confident | 74.7 | Confident | 67 Ų | 67 | 108 Ų | 108 | 36% | 0.358 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.3 | -36.5 | 174.6 | -67.2 | -31.1 | 0 | 0 | 0 | 112.1 | E62 D63 R68 W69 R70 | E62-N66 VanDerWaalsContact O-CG 3.28Å; E62-N66 PolarHBondContact O-N 3.18Å; E62-N66 PolarHBondContact O-ND2 3.49Å; D63-N66 CarbonylContact O-C 3.47Å; D63-N66 PolarHBondContact O-N 3.5Å; N66-R68 VanDerWaalsContact C-N 3.28Å; N66-R68 PolarHBondContact O-N 3.49Å; N66-W69 PolarHBondContact O-N 2.81Å; N66-R70 VanDerWaalsContact O-CB 3.3Å; N66-R70 WeakPolarHBondContact O-CB 3.28Å; N66-R70 WeakPolarHBondContact O-CG 3.22Å; N66-R70 PolarHBondContact O-N 3.26Å |
| 67 | E | 78.6 | Confident | 75.7 | Confident | 98 Ų | 98 | 108.8 Ų | 108.8 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -55.3 | -41.9 | 171.6 | -95.7 | -164 | -131.2 | 0 | 0 | 112.2 | D63 M65 R70 K71 | D63-E67 WeakPolarHBondContact O-CB 3.39Å; D63-E67 PolarHBondContact O-N 2.79Å; M65-E67 VanDerWaalsContact C-N 3.26Å; M65-E67 PolarHBondContact O-N 3.45Å; E67-R70 PolarHBondContact O-N 2.81Å; E67-K71 VanDerWaalsContact O-CB 3.28Å; E67-K71 WeakPolarHBondContact O-CB 3.25Å; E67-K71 WeakPolarHBondContact O-CD 3.03Å; E67-K71 WeakPolarHBondContact O-CG 3.48Å; E67-K71 PolarHBondContact O-N 3.37Å; E67-K71 IonicContact OE2-NZ 3.91Å; E67-K71 PolarHBondContact OE2-NZ 3.46Å |
| 68 | R | 77.9 | Confident | 76 | Confident | 174 Ų | 174 | 111.4 Ų | 111.4 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.6 | -42.2 | -179.3 | -67.1 | 177.8 | 167.8 | -155.6 | -7.1 | 110.7 | M65 N66 K71 E72 | M65-R68 WeakPolarHBondContact O-CB 3.31Å; M65-R68 PolarHBondContact O-N 2.76Å; N66-R68 VanDerWaalsContact C-N 3.28Å; N66-R68 PolarHBondContact O-N 3.49Å; R68-K71 PolarHBondContact O-N 2.88Å; R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 PolarHBondContact O-N 3.37Å |
| 69 | W | 78.5 | Confident | 76.5 | Confident | 153 Ų | 153 | 111 Ų | 111 | 58% | 0.58 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.8 | -40.1 | 173.7 | -63.7 | -44.5 | 0 | 0 | 0 | 112.5 | M65 N66 K71 E72 L73 | M65-W69 HydrophobicContact CB-CH2 4.36Å; M65-W69 HydrophobicContact CB-CZ3 4.18Å; M65-W69 HydrophobicContact CE-CH2 4.48Å; M65-W69 HydrophobicContact CE-CZ2 4.34Å; M65-W69 PolarHBondContact O-N 3.36Å; N66-W69 PolarHBondContact O-N 2.81Å; W69-K71 VanDerWaalsContact C-N 3.33Å; W69-K71 PolarHBondContact O-N 3.23Å; W69-E72 PolarHBondContact O-N 2.87Å; W69-L73 VanDerWaalsContact O-CB 3.25Å; W69-L73 WeakPolarHBondContact O-CB 3.33Å; W69-L73 VanDerWaalsContact O-CG 3.22Å; W69-L73 WeakPolarHBondContact O-CG 3.16Å; W69-L73 PolarHBondContact O-N 2.85Å |
| 70 | R | 83 | Confident | 76.3 | Confident | 198 Ų | 198 | 119.2 Ų | 119.2 | 75% | 0.747 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.1 | -45.4 | 171.2 | -73 | -93.2 | -165.4 | 141.1 | 6.1 | 111.1 | N66 E67 A74 | N66-R70 VanDerWaalsContact O-CB 3.3Å; N66-R70 WeakPolarHBondContact O-CB 3.28Å; N66-R70 WeakPolarHBondContact O-CG 3.22Å; N66-R70 PolarHBondContact O-N 3.26Å; E67-R70 PolarHBondContact O-N 2.81Å; R70-A74 WeakPolarHBondContact O-CB 3.42Å; R70-A74 PolarHBondContact O-N 3.4Å |
| 71 | K | 81.2 | Confident | 75.8 | Confident | 126 Ų | 126 | 119 Ų | 119 | 55% | 0.548 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 179.1 | -74.6 | 162.7 | -177.8 | 172.1 | 0 | 112.1 | E67 R68 W69 K75 | E67-K71 VanDerWaalsContact O-CB 3.28Å; E67-K71 WeakPolarHBondContact O-CB 3.25Å; E67-K71 WeakPolarHBondContact O-CD 3.03Å; E67-K71 WeakPolarHBondContact O-CG 3.48Å; E67-K71 PolarHBondContact O-N 3.37Å; E67-K71 IonicContact OE2-NZ 3.91Å; E67-K71 PolarHBondContact OE2-NZ 3.46Å; R68-K71 PolarHBondContact O-N 2.88Å; W69-K71 VanDerWaalsContact C-N 3.33Å; W69-K71 PolarHBondContact O-N 3.23Å; K71-K75 VanDerWaalsContact O-CB 3.25Å; K71-K75 WeakPolarHBondContact O-CB 3.47Å; K71-K75 PolarHBondContact O-N 2.8Å |
| 72 | E | 78.6 | Confident | 75.3 | Confident | 88 Ų | 88 | 113.5 Ų | 113.5 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.9 | -37 | 176.6 | -167.7 | 55.2 | -142 | 0 | 0 | 112.3 | R68 W69 K75 N76 K79 | R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 PolarHBondContact O-N 3.37Å; W69-E72 PolarHBondContact O-N 2.87Å; E72-K75 PolarHBondContact O-N 3.39Å; E72-N76 WeakPolarHBondContact O-CB 3.26Å; E72-N76 PolarHBondContact O-N 3.16Å; E72-N76 PolarHBondContact O-ND2 2.74Å; E72-N76 PolarHBondContact OE1-ND2 3.32Å; E72-K79 IonicContact OE1-NZ 2.68Å |
| 73 | L | 79.6 | Confident | 74.6 | Confident | 126 Ų | 126 | 112 Ų | 112 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 171.6 | -73 | 171.8 | 0 | 0 | 0 | 111.6 | W69 N76 R77 | W69-L73 VanDerWaalsContact O-CB 3.25Å; W69-L73 WeakPolarHBondContact O-CB 3.33Å; W69-L73 VanDerWaalsContact O-CG 3.22Å; W69-L73 WeakPolarHBondContact O-CG 3.16Å; W69-L73 PolarHBondContact O-N 2.85Å; L73-N76 PolarHBondContact O-N 3.26Å; L73-R77 VanDerWaalsContact O-CB 3.31Å; L73-R77 WeakPolarHBondContact O-CB 3.45Å; L73-R77 PolarHBondContact O-N 3.18Å |
| 74 | A | 80.1 | Confident | 73.9 | Confident | 57 Ų | 57 | 113.9 Ų | 113.9 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R70 N76 R77 E78 | R70-A74 WeakPolarHBondContact O-CB 3.42Å; R70-A74 PolarHBondContact O-N 3.4Å; A74-N76 VanDerWaalsContact C-N 3.33Å; A74-N76 PolarHBondContact O-N 3.27Å; A74-R77 CarbonylContact O-C 3.52Å; A74-R77 PolarHBondContact O-N 3.41Å; A74-E78 VanDerWaalsContact O-CB 3.24Å; A74-E78 WeakPolarHBondContact O-CB 3.26Å; A74-E78 PolarHBondContact O-N 3.22Å |
| 75 | K | 79.6 | Confident | 72.9 | Confident | 109 Ų | 109 | 114.6 Ų | 114.6 | 47% | 0.474 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 177.8 | -169.8 | 177.3 | -174.7 | 179 | 0 | 113.4 | K71 E72 K79 | K71-K75 VanDerWaalsContact O-CB 3.25Å; K71-K75 WeakPolarHBondContact O-CB 3.47Å; K71-K75 PolarHBondContact O-N 2.8Å; E72-K75 PolarHBondContact O-N 3.39Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.21Å; K75-K79 PolarHBondContact O-N 3.15Å |
| 76 | N | 80.6 | Confident | 72.3 | Confident | 60 Ų | 60 | 117.9 Ų | 117.9 | 32% | 0.321 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -80.7 | -29 | 175.8 | -70.4 | -57.3 | 0 | 0 | 0 | 112.8 | E72 L73 A74 K79 R80 | E72-N76 WeakPolarHBondContact O-CB 3.26Å; E72-N76 PolarHBondContact O-N 3.16Å; E72-N76 PolarHBondContact O-ND2 2.74Å; E72-N76 PolarHBondContact OE1-ND2 3.32Å; L73-N76 PolarHBondContact O-N 3.26Å; A74-N76 VanDerWaalsContact C-N 3.33Å; A74-N76 PolarHBondContact O-N 3.27Å; N76-K79 PolarHBondContact OD1-NZ 3.28Å; N76-R80 WeakPolarHBondContact O-CG 3.31Å; N76-R80 PolarHBondContact O-N 3.24Å; N76-R80 VanDerWaalsContact O-N 3.17Å |
| 77 | R | 84.1 | Confident | 71.4 | Confident | 177 Ų | 177 | 118.8 Ų | 118.8 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.9 | -41.4 | 166.9 | -173.8 | 177.8 | 180 | 106.7 | -1.7 | 111 | L73 A74 R80 L81 | L73-R77 VanDerWaalsContact O-CB 3.31Å; L73-R77 WeakPolarHBondContact O-CB 3.45Å; L73-R77 PolarHBondContact O-N 3.18Å; A74-R77 CarbonylContact O-C 3.52Å; A74-R77 PolarHBondContact O-N 3.41Å; R77-R80 PolarHBondContact O-N 2.8Å; R77-L81 HydrophobicContact CG-CD1 3.83Å; R77-L81 HydrophobicContact CG-CG 4.41Å; R77-L81 WeakPolarHBondContact O-CB 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.38Å; R77-L81 PolarHBondContact O-N 3.33Å |
| 78 | E | 71.4 | Confident | 70.7 | Confident | 134 Ų | 134 | 121.4 Ų | 121.4 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 174.2 | 179.5 | -174.1 | -159.1 | 0 | 0 | 111.5 | A74 L81 G82 | A74-E78 VanDerWaalsContact O-CB 3.24Å; A74-E78 WeakPolarHBondContact O-CB 3.26Å; A74-E78 PolarHBondContact O-N 3.22Å; E78-L81 PolarHBondContact O-N 3.35Å; E78-G82 VanDerWaalsContact O-CA 3.27Å; E78-G82 WeakPolarHBondContact O-CA 3.11Å; E78-G82 PolarHBondContact O-N 3.02Å |
| 79 | K | 73 | Confident | 69.8 | Low | 101 Ų | 101 | 120.8 Ų | 120.8 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.4 | -52.7 | 170.7 | -70.3 | 167.4 | -160.8 | 164.8 | 0 | 111.5 | E72 K75 N76 L81 D83 | E72-K79 IonicContact OE1-NZ 2.68Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.21Å; K75-K79 PolarHBondContact O-N 3.15Å; N76-K79 PolarHBondContact OD1-NZ 3.28Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 2.75Å; K79-D83 PolarHBondContact O-N 2.85Å |
| 80 | R | 63.8 | Low | 68.8 | Low | 207 Ų | 207 | 116 Ų | 116 | 78% | 0.781 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.8 | -18.6 | -175.7 | -66.1 | -174.4 | 85.9 | -165.5 | 7.6 | 114.8 | N76 R77 | N76-R80 WeakPolarHBondContact O-CG 3.31Å; N76-R80 PolarHBondContact O-N 3.24Å; N76-R80 VanDerWaalsContact O-N 3.17Å; R77-R80 PolarHBondContact O-N 2.8Å |
| 81 | L | 59.6 | Low | 67.7 | Low | 83 Ų | 83 | 112.1 Ų | 112.1 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -104.1 | -30 | 175.8 | -66.8 | 179.4 | 0 | 0 | 0 | 113 | R77 E78 K79 K84 E85 | R77-L81 HydrophobicContact CG-CD1 3.83Å; R77-L81 HydrophobicContact CG-CG 4.41Å; R77-L81 WeakPolarHBondContact O-CB 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.38Å; R77-L81 PolarHBondContact O-N 3.33Å; E78-L81 PolarHBondContact O-N 3.35Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 2.75Å; L81-K84 CarbonylContact O-C 3.59Å; L81-K84 WeakPolarHBondContact O-CA 3.2Å; L81-K84 WeakPolarHBondContact O-CB 3.41Å; L81-K84 PolarHBondContact O-N 2.82Å; L81-K84 VanDerWaalsContact O-N 3.12Å; L81-E85 PolarHBondContact O-N 2.63Å |
| 82 | G | 58.6 | Low | 66.6 | Low | 17 Ų | 17 | 110 Ų | 110 | 18% | 0.175 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -78.2 | -24.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E78 R86 | E78-G82 VanDerWaalsContact O-CA 3.27Å; E78-G82 WeakPolarHBondContact O-CA 3.11Å; E78-G82 PolarHBondContact O-N 3.02Å; G82-R86 WeakPolarHBondContact O-CB 3.28Å; G82-R86 WeakPolarHBondContact O-CG 3.47Å; G82-R86 PolarHBondContact O-N 3.16Å; G82-R86 PolarHBondContact O-NE 3Å; G82-R86 PolarHBondContact O-NH2 2.84Å |
| 83 | D | 58 | Low | 65.7 | Low | 79 Ų | 79 | 109.3 Ų | 109.3 | 42% | 0.422 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -53.7 | 157.9 | -76.8 | -33.5 | 0 | 0 | 0 | 109.1 | K79 E85 R86 D87 | K79-D83 PolarHBondContact O-N 2.85Å; D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 3.06Å; D83-E85 VanDerWaalsContact O-N 3.16Å; D83-R86 CarbonylContact O-C 3.59Å; D83-R86 WeakPolarHBondContact O-CA 3.38Å; D83-R86 WeakPolarHBondContact O-CB 3.47Å; D83-R86 PolarHBondContact O-N 2.85Å; D83-R86 IonicContact OD1-CZ 2.7Å; D83-R86 IonicContact OD1-NH1 3.14Å; D83-R86 PolarHBondContact OD1-NH1 3.24Å; D83-R86 IonicContact OD1-NH2 2.74Å; D83-R86 PolarHBondContact OD1-NH2 2.98Å; D83-D87 PolarHBondContact O-N 2.56Å |
| 84 | K | 60.2 | Low | 64.7 | Low | 132 Ų | 132 | 108.7 Ų | 108.7 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -25.8 | -179.9 | -79.8 | -175.2 | 171.2 | -176.8 | 0 | 115.4 | L81 K88 | L81-K84 CarbonylContact O-C 3.59Å; L81-K84 WeakPolarHBondContact O-CA 3.2Å; L81-K84 WeakPolarHBondContact O-CB 3.41Å; L81-K84 PolarHBondContact O-N 2.82Å; L81-K84 VanDerWaalsContact O-N 3.12Å; K84-K88 VanDerWaalsContact O-CB 3.28Å; K84-K88 WeakPolarHBondContact O-CB 3.46Å; K84-K88 WeakPolarHBondContact O-CD 3.45Å; K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 3.49Å; K84-K88 VanDerWaalsContact O-N 3.16Å |
| 85 | E | 57.3 | Low | 63.7 | Low | 145 Ų | 145 | 111 Ų | 111 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -79.6 | -36 | 170.7 | -76.2 | -167.2 | 152.7 | 0 | 0 | 112.3 | L81 D83 K89 | L81-E85 PolarHBondContact O-N 2.63Å; D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 3.06Å; D83-E85 VanDerWaalsContact O-N 3.16Å; E85-K89 WeakPolarHBondContact O-CB 3.49Å; E85-K89 PolarHBondContact O-N 3.33Å |
| 86 | R | 58.9 | Low | 62.9 | Low | 145 Ų | 145 | 111.8 Ų | 111.8 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 171.8 | -80.5 | -177.8 | -82.9 | 101.2 | -1.6 | 111.3 | G82 D83 K88 K89 S90 | G82-R86 WeakPolarHBondContact O-CB 3.28Å; G82-R86 WeakPolarHBondContact O-CG 3.47Å; G82-R86 PolarHBondContact O-N 3.16Å; G82-R86 PolarHBondContact O-NE 3Å; G82-R86 PolarHBondContact O-NH2 2.84Å; D83-R86 CarbonylContact O-C 3.59Å; D83-R86 WeakPolarHBondContact O-CA 3.38Å; D83-R86 WeakPolarHBondContact O-CB 3.47Å; D83-R86 PolarHBondContact O-N 2.85Å; D83-R86 IonicContact OD1-CZ 2.7Å; D83-R86 IonicContact OD1-NH1 3.14Å; D83-R86 PolarHBondContact OD1-NH1 3.24Å; D83-R86 IonicContact OD1-NH2 2.74Å; D83-R86 PolarHBondContact OD1-NH2 2.98Å; R86-K88 PolarHBondContact O-N 3.09Å; R86-K89 CarbonylContact O-C 3.58Å; R86-K89 PolarHBondContact O-N 3.44Å; R86-K89 VanDerWaalsContact O-N 3.11Å; R86-S90 PolarHBondContact O-N 2.82Å; R86-S90 PolarHBondContact O-OG 3.36Å |
| 87 | D | 57.6 | Low | 62.1 | Low | 86 Ų | 86 | 115.3 Ų | 115.3 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 178.1 | -60 | -24.9 | 0 | 0 | 0 | 111.9 | D83 K89 S90 M91 | D83-D87 PolarHBondContact O-N 2.56Å; D87-K89 VanDerWaalsContact C-N 3.31Å; D87-K89 PolarHBondContact O-N 3.32Å; D87-S90 WeakPolarHBondContact CA-OG 3.47Å; D87-S90 PolarHBondContact O-N 3.42Å; D87-S90 PolarHBondContact O-OG 3.47Å; D87-M91 WeakPolarHBondContact O-CB 3.27Å; D87-M91 WeakPolarHBondContact O-CG 3.03Å; D87-M91 PolarHBondContact O-N 2.85Å |
| 88 | K | 62.3 | Low | 60.9 | Low | 152 Ų | 152 | 111.6 Ų | 111.6 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.8 | -33.7 | 173.8 | -77.8 | 175.1 | -179.7 | -172.5 | 0 | 112.6 | K84 R86 D92 | K84-K88 VanDerWaalsContact O-CB 3.28Å; K84-K88 WeakPolarHBondContact O-CB 3.46Å; K84-K88 WeakPolarHBondContact O-CD 3.45Å; K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 3.49Å; K84-K88 VanDerWaalsContact O-N 3.16Å; R86-K88 PolarHBondContact O-N 3.09Å; K88-D92 WeakPolarHBondContact O-CB 3.26Å; K88-D92 PolarHBondContact O-N 3.18Å |
| 89 | K | 60.6 | Low | 60.7 | Low | 161 Ų | 161 | 113.1 Ų | 113.1 | 70% | 0.7 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -77.7 | -31.3 | 178.6 | -172 | 173.8 | -179.4 | 178.8 | 0 | 112.6 | E85 R86 D87 S93 | E85-K89 WeakPolarHBondContact O-CB 3.49Å; E85-K89 PolarHBondContact O-N 3.33Å; R86-K89 CarbonylContact O-C 3.58Å; R86-K89 PolarHBondContact O-N 3.44Å; R86-K89 VanDerWaalsContact O-N 3.11Å; D87-K89 VanDerWaalsContact C-N 3.31Å; D87-K89 PolarHBondContact O-N 3.32Å; K89-S93 WeakPolarHBondContact O-CB 3.47Å; K89-S93 PolarHBondContact O-N 3.3Å |
| 90 | S | 57.8 | Low | 60.2 | Low | 52 Ų | 52 | 116.2 Ų | 116.2 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.2 | -49.7 | 168.1 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | R86 D87 D92 S93 E94 | R86-S90 PolarHBondContact O-N 2.82Å; R86-S90 PolarHBondContact O-OG 3.36Å; D87-S90 WeakPolarHBondContact CA-OG 3.47Å; D87-S90 PolarHBondContact O-N 3.42Å; D87-S90 PolarHBondContact O-OG 3.47Å; S90-D92 PolarHBondContact O-N 3.1Å; S90-S93 CarbonylContact O-C 3.4Å; S90-S93 WeakPolarHBondContact O-CA 3.42Å; S90-S93 WeakPolarHBondContact O-CB 3.5Å; S90-S93 PolarHBondContact O-N 3.24Å; S90-E94 WeakPolarHBondContact O-CB 3.4Å; S90-E94 WeakPolarHBondContact O-CG 3.3Å; S90-E94 PolarHBondContact O-N 3.1Å |
| 91 | M | 58.2 | Low | 60 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.3 | -51 | 176.4 | -74 | -168.4 | 76.2 | 0 | 0 | 112.3 | D87 S93 E94 D95 | D87-M91 WeakPolarHBondContact O-CB 3.27Å; D87-M91 WeakPolarHBondContact O-CG 3.03Å; D87-M91 PolarHBondContact O-N 2.85Å; M91-S93 PolarHBondContact O-N 3.22Å; M91-E94 PolarHBondContact O-N 3.1Å; M91-E94 VanDerWaalsContact O-N 3.09Å; M91-D95 WeakPolarHBondContact O-CB 3.31Å; M91-D95 PolarHBondContact O-N 3.17Å |
| 92 | D | 58.6 | Low | 60.1 | Low | 80 Ų | 80 | 113.6 Ų | 113.6 | 43% | 0.428 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60 | -32 | 177 | 173.3 | 78.6 | 0 | 0 | 0 | 112.8 | K88 S90 K96 | K88-D92 WeakPolarHBondContact O-CB 3.26Å; K88-D92 PolarHBondContact O-N 3.18Å; S90-D92 PolarHBondContact O-N 3.1Å; D92-K96 WeakPolarHBondContact O-CB 3.28Å; D92-K96 VanDerWaalsContact O-CD 3.26Å; D92-K96 WeakPolarHBondContact O-CD 3.34Å; D92-K96 WeakPolarHBondContact O-CG 3.37Å; D92-K96 PolarHBondContact O-N 3.12Å; D92-K96 WeakPolarHBondContact OD1-CE 3.49Å; D92-K96 IonicContact OD1-NZ 2.65Å; D92-K96 PolarHBondContact OD1-NZ 3.43Å; D92-K96 IonicContact OD2-NZ 3.95Å; D92-K96 PolarHBondContact OD2-NZ 2.71Å |
| 93 | S | 59.8 | Low | 60.2 | Low | 75 Ų | 75 | 119.7 Ų | 119.7 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -76.3 | -34.4 | 174.9 | -172.6 | 0 | 0 | 0 | 0 | 113 | K89 S90 M91 K97 | K89-S93 WeakPolarHBondContact O-CB 3.47Å; K89-S93 PolarHBondContact O-N 3.3Å; S90-S93 CarbonylContact O-C 3.4Å; S90-S93 WeakPolarHBondContact O-CA 3.42Å; S90-S93 WeakPolarHBondContact O-CB 3.5Å; S90-S93 PolarHBondContact O-N 3.24Å; M91-S93 PolarHBondContact O-N 3.22Å; S93-K97 WeakPolarHBondContact O-CB 3.42Å; S93-K97 PolarHBondContact O-N 3.36Å; S93-K97 VanDerWaalsContact O-N 3.1Å |
| 94 | E | 59.2 | Low | 60.3 | Low | 113 Ų | 113 | 123.8 Ų | 123.8 | 53% | 0.528 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -76.3 | -47.2 | 177.7 | -72.3 | -178.2 | 138.8 | 0 | 0 | 110.6 | S90 M91 K96 K97 D98 | S90-E94 WeakPolarHBondContact O-CB 3.4Å; S90-E94 WeakPolarHBondContact O-CG 3.3Å; S90-E94 PolarHBondContact O-N 3.1Å; M91-E94 PolarHBondContact O-N 3.1Å; M91-E94 VanDerWaalsContact O-N 3.09Å; E94-K96 PolarHBondContact O-N 3.07Å; E94-K97 CarbonylContact O-C 3.56Å; E94-K97 WeakPolarHBondContact O-CA 3.25Å; E94-K97 WeakPolarHBondContact O-CB 3.38Å; E94-K97 PolarHBondContact O-N 3.46Å; E94-D98 WeakPolarHBondContact O-CB 3.45Å; E94-D98 PolarHBondContact O-N 2.85Å |
| 95 | D | 59.4 | Low | 60.3 | Low | 105 Ų | 105 | 123.2 Ų | 123.2 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -52.3 | -42.6 | 170.6 | -85.7 | -49.5 | 0 | 0 | 0 | 111.8 | M91 K99 | M91-D95 WeakPolarHBondContact O-CB 3.31Å; M91-D95 PolarHBondContact O-N 3.17Å; D95-K99 WeakPolarHBondContact O-CB 3.32Å; D95-K99 PolarHBondContact O-N 3.21Å |
| 96 | K | 62.6 | Low | 60.2 | Low | 125 Ų | 125 | 121.4 Ų | 121.4 | 54% | 0.543 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.6 | -33.9 | 176.2 | -76.4 | 169.8 | -170.9 | 162 | 0 | 113.1 | D92 E94 K100 | D92-K96 WeakPolarHBondContact O-CB 3.28Å; D92-K96 VanDerWaalsContact O-CD 3.26Å; D92-K96 WeakPolarHBondContact O-CD 3.34Å; D92-K96 WeakPolarHBondContact O-CG 3.37Å; D92-K96 PolarHBondContact O-N 3.12Å; D92-K96 WeakPolarHBondContact OD1-CE 3.49Å; D92-K96 IonicContact OD1-NZ 2.65Å; D92-K96 PolarHBondContact OD1-NZ 3.43Å; D92-K96 IonicContact OD2-NZ 3.95Å; D92-K96 PolarHBondContact OD2-NZ 2.71Å; E94-K96 PolarHBondContact O-N 3.07Å; K96-K100 VanDerWaalsContact O-CB 3.3Å; K96-K100 WeakPolarHBondContact O-CB 3.42Å; K96-K100 PolarHBondContact O-N 3.38Å |
| 97 | K | 62.4 | Low | 60.2 | Low | 135 Ų | 135 | 122.9 Ų | 122.9 | 59% | 0.587 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.5 | -48 | 176.5 | -175.4 | -173.7 | 173.1 | -162.2 | 0 | 110.8 | S93 E94 K100 E101 | S93-K97 WeakPolarHBondContact O-CB 3.42Å; S93-K97 PolarHBondContact O-N 3.36Å; S93-K97 VanDerWaalsContact O-N 3.1Å; E94-K97 CarbonylContact O-C 3.56Å; E94-K97 WeakPolarHBondContact O-CA 3.25Å; E94-K97 WeakPolarHBondContact O-CB 3.38Å; E94-K97 PolarHBondContact O-N 3.46Å; K97-K100 CarbonylContact O-C 3.56Å; K97-K100 WeakPolarHBondContact O-CA 3.46Å; K97-K100 WeakPolarHBondContact O-CB 3.46Å; K97-K100 PolarHBondContact O-N 3.4Å; K97-K100 VanDerWaalsContact O-N 3.14Å; K97-E101 PolarHBondContact O-N 3.43Å |
| 98 | D | 59.4 | Low | 60.2 | Low | 99 Ų | 99 | 127.7 Ų | 127.7 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.4 | -37.7 | -178.6 | -76.9 | 13.3 | 0 | 0 | 0 | 111.7 | E94 K100 E101 K102 | E94-D98 WeakPolarHBondContact O-CB 3.45Å; E94-D98 PolarHBondContact O-N 2.85Å; D98-K100 VanDerWaalsContact C-N 3.27Å; D98-K100 PolarHBondContact O-N 3.15Å; D98-E101 PolarHBondContact O-N 3.38Å; D98-K102 WeakPolarHBondContact O-CB 3.43Å; D98-K102 PolarHBondContact O-N 3.4Å |
| 99 | K | 66.4 | Low | 59.9 | Low | 165 Ų | 165 | 128.3 Ų | 128.3 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.7 | -32.7 | 170.8 | -168.6 | 168 | -172.1 | 168.5 | 0 | 112.1 | D95 K103 | D95-K99 WeakPolarHBondContact O-CB 3.32Å; D95-K99 PolarHBondContact O-N 3.21Å; K99-K103 VanDerWaalsContact O-CB 3.32Å; K99-K103 WeakPolarHBondContact O-CB 3.36Å; K99-K103 PolarHBondContact O-N 3.33Å |
| 100 | K | 63.8 | Low | 59.3 | Low | 166 Ų | 166 | 126 Ų | 126 | 72% | 0.722 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.4 | -38 | 173.8 | -172.3 | 177.3 | -177.9 | 178.8 | 0 | 112 | K96 K97 D98 K104 | K96-K100 VanDerWaalsContact O-CB 3.3Å; K96-K100 WeakPolarHBondContact O-CB 3.42Å; K96-K100 PolarHBondContact O-N 3.38Å; K97-K100 CarbonylContact O-C 3.56Å; K97-K100 WeakPolarHBondContact O-CA 3.46Å; K97-K100 WeakPolarHBondContact O-CB 3.46Å; K97-K100 PolarHBondContact O-N 3.4Å; K97-K100 VanDerWaalsContact O-N 3.14Å; D98-K100 VanDerWaalsContact C-N 3.27Å; D98-K100 PolarHBondContact O-N 3.15Å; K100-K104 PolarHBondContact O-N 2.82Å |
| 101 | E | 59.6 | Low | 58.6 | Low | 103 Ų | 103 | 127.9 Ų | 127.9 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.5 | -46.6 | 175.7 | -172.4 | 172.8 | 138.6 | 0 | 0 | 112 | K97 D98 K103 K104 K105 | K97-E101 PolarHBondContact O-N 3.43Å; D98-E101 PolarHBondContact O-N 3.38Å; E101-K103 VanDerWaalsContact C-N 3.32Å; E101-K103 PolarHBondContact O-N 3.38Å; E101-K104 CarbonylContact O-C 3.56Å; E101-K104 WeakPolarHBondContact O-CA 3.41Å; E101-K104 VanDerWaalsContact O-CB 3.31Å; E101-K104 WeakPolarHBondContact O-CB 3.48Å; E101-K104 PolarHBondContact O-N 3.26Å; E101-K105 WeakPolarHBondContact O-CB 3.16Å; E101-K105 PolarHBondContact O-N 3.49Å; E101-K105 IonicContact OE1-NZ 2.56Å |
| 102 | K | 60.4 | Low | 57.8 | Low | 132 Ų | 132 | 132.4 Ų | 132.4 | 57% | 0.574 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -57.3 | -44.1 | 177.4 | -168.4 | 171.6 | -179.7 | 177.9 | 0 | 111.2 | D98 K104 K105 E106 | D98-K102 WeakPolarHBondContact O-CB 3.43Å; D98-K102 PolarHBondContact O-N 3.4Å; K102-K104 VanDerWaalsContact C-N 3.25Å; K102-K104 PolarHBondContact O-N 2.73Å; K102-K105 CarbonylContact O-C 3.54Å; K102-K105 WeakPolarHBondContact O-CB 3.22Å; K102-K105 PolarHBondContact O-N 2.7Å; K102-E106 WeakPolarHBondContact CE-OE1 3.24Å; K102-E106 HydrophobicContact CG-CG 4.44Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.25Å; K102-E106 PolarHBondContact O-N 2.82Å |
| 103 | K | 61.2 | Low | 56.7 | Low | 146 Ų | 146 | 136.4 Ų | 136.4 | 64% | 0.635 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63 | -25.3 | 172.6 | -170.3 | 168.7 | -176.2 | 172.8 | 0 | 113.9 | K99 E101 | K99-K103 VanDerWaalsContact O-CB 3.32Å; K99-K103 WeakPolarHBondContact O-CB 3.36Å; K99-K103 PolarHBondContact O-N 3.33Å; E101-K103 VanDerWaalsContact C-N 3.32Å; E101-K103 PolarHBondContact O-N 3.38Å |
| 104 | K | 60.3 | Low | 55.5 | Low | 165 Ų | 165 | 137.5 Ų | 137.5 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.6 | -27.8 | 172.3 | -164.5 | 179.8 | -178.5 | -175.4 | 0 | 112.3 | K100 E101 K102 | K100-K104 PolarHBondContact O-N 2.82Å; E101-K104 CarbonylContact O-C 3.56Å; E101-K104 WeakPolarHBondContact O-CA 3.41Å; E101-K104 VanDerWaalsContact O-CB 3.31Å; E101-K104 WeakPolarHBondContact O-CB 3.48Å; E101-K104 PolarHBondContact O-N 3.26Å; K102-K104 VanDerWaalsContact C-N 3.25Å; K102-K104 PolarHBondContact O-N 2.73Å |
| 105 | K | 60 | Low | 54.4 | Low | 119 Ų | 119 | 137 Ų | 137 | 52% | 0.517 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -82.1 | -39.2 | 179.7 | -152.2 | 166.5 | -167.9 | 162 | 0 | 112 | E101 K102 K108 K109 | E101-K105 WeakPolarHBondContact O-CB 3.16Å; E101-K105 PolarHBondContact O-N 3.49Å; E101-K105 IonicContact OE1-NZ 2.56Å; K102-K105 CarbonylContact O-C 3.54Å; K102-K105 WeakPolarHBondContact O-CB 3.22Å; K102-K105 PolarHBondContact O-N 2.7Å; K105-K108 CarbonylContact O-C 3.56Å; K105-K108 WeakPolarHBondContact O-CA 3.24Å; K105-K108 PolarHBondContact O-N 3.47Å; K105-K109 PolarHBondContact O-N 3.33Å |
| 106 | E | 56.6 | Low | 53.2 | Low | 108 Ų | 108 | 137.2 Ų | 137.2 | 51% | 0.505 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.9 | -40.8 | 174.4 | -74.8 | 166.2 | 169.7 | 0 | 0 | 111.8 | K102 K108 K109 S110 | K102-E106 WeakPolarHBondContact CE-OE1 3.24Å; K102-E106 HydrophobicContact CG-CG 4.44Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.25Å; K102-E106 PolarHBondContact O-N 2.82Å; E106-K108 PolarHBondContact O-N 3.4Å; E106-K109 PolarHBondContact O-N 3.14Å; E106-S110 PolarHBondContact O-N 3.39Å; E106-S110 VanDerWaalsContact O-N 3.09Å |
| 107 | K | 58.6 | Low | 51.8 | Low | 175 Ų | 175 | 135.9 Ų | 135.9 | 76% | 0.761 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -7.5 | 169.6 | -78.6 | -162.9 | 171.1 | -159.7 | 0 | 114.9 | ||
| 108 | K | 56.8 | Low | 50.5 | Low | 187 Ų | 187 | 134.7 Ų | 134.7 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 1.4 | 169.7 | -73.3 | -162.3 | 169.8 | -161.5 | 0 | 113.6 | K105 E106 | K105-K108 CarbonylContact O-C 3.56Å; K105-K108 WeakPolarHBondContact O-CA 3.24Å; K105-K108 PolarHBondContact O-N 3.47Å; E106-K108 PolarHBondContact O-N 3.4Å |
| 109 | K | 56.6 | Low | 49.4 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | -7.4 | -174.5 | -76.9 | -161 | 168 | -153.4 | 0 | 115.3 | K105 E106 S111 | K105-K109 PolarHBondContact O-N 3.33Å; E106-K109 PolarHBondContact O-N 3.14Å; K109-S111 PolarHBondContact O-N 3.09Å |
| 110 | S | 46.6 | Very low | 48.1 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | -72 | 27.4 | 170.7 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | E106 | E106-S110 PolarHBondContact O-N 3.39Å; E106-S110 VanDerWaalsContact O-N 3.09Å | ||
| 111 | S | 44.1 | Very low | 47.1 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -126.8 | 91.8 | 178 | 171.9 | 0 | 0 | 0 | 0 | 109.6 | K109 | K109-S111 PolarHBondContact O-N 3.09Š|
| 112 | R | 40.8 | Very low | 46.3 | Very low | 213 Ų | 213 | 129.2 Ų | 129.2 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | 72.4 | 122.2 | 154.4 | -72.5 | -178.8 | 174.2 | 167.6 | -2.8 | 119.5 | ||||
| 113 | H | 35.8 | Very low | 45.5 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | 71.6 | 146.6 | 153.6 | -46.9 | -44.2 | 0 | 0 | 0 | 118.6 | ||||
| 114 | S | 35.7 | Very low | 44.4 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | cis | -164.2 | 152.4 | -20.7 | -90.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 115 | S | 34.8 | Very low | 43.5 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | trans | 43.5 | 139 | 145.5 | 62.3 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 116 | S | 34.3 | Very low | 42.6 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | 65.4 | 151.5 | 139.1 | 53.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 117 | S | 33.1 | Very low | 41.6 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | cis | -173.6 | 168.5 | -16.9 | 53 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 118 | S | 35.2 | Very low | 40.4 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 65.7 | 153.7 | 158 | 29.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 119 | S | 37 | Very low | 39.7 | Very low | 103 Ų | 103 | 117.7 Ų | 117.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | cis | -166.1 | 167.8 | -9.2 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 120 | S | 39.5 | Very low | 38.8 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | trans | 73 | 120.2 | 140.4 | 56.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 121 | S | 42.9 | Very low | 38.3 | Very low | 119 Ų | 119 | 117 Ų | 117 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | 64.9 | 153.2 | 139.1 | 55.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 122 | S | 41.8 | Very low | 38.1 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | -153.9 | 164.3 | 8.8 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 123 | D | 44.9 | Very low | 38 | Very low | 140 Ų | 140 | 117.1 Ų | 117.1 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 23.4 | 129 | 145.4 | -73.7 | -85.2 | 0 | 0 | 0 | 122.1 | ||||
| 124 | S | 37.1 | Very low | 38.4 | Very low | 96 Ų | 96 | 117.2 Ų | 117.2 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | 113.3 | 154.9 | 54.6 | -80.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 125 | S | 42.4 | Very low | 38.8 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | cis | -171.2 | 169.9 | -19.3 | -92.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 126 | S | 39.4 | Very low | 39.1 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 81.6 | 133.6 | 158.9 | 77.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 127 | S | 35.5 | Very low | 39.6 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 39.5 | 161.7 | 141.5 | 51 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 128 | S | 34.7 | Very low | 40.4 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | cis | -172.8 | 170.5 | -17.9 | 177.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 129 | S | 41 | Very low | 41.2 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -70.8 | 156.3 | 167.7 | -54.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 130 | S | 37.4 | Very low | 41.7 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | 171.7 | 154.2 | 124 | -107.9 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 131 | E | 37.7 | Very low | 42.5 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | 51.4 | 171.4 | 162.4 | -16.4 | -53.8 | 49.8 | 0 | 0 | 120.3 | ||||
| 132 | S | 38.3 | Very low | 43.2 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | cis | -147.8 | -178.3 | -0.4 | 69.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 133 | E | 40.2 | Very low | 44.2 | Very low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | -85.2 | 166.2 | 175.4 | -56.3 | 167.7 | 116.9 | 0 | 0 | 113.5 | ||||
| 134 | D | 44.3 | Very low | 45.1 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -159.6 | 159 | 153.4 | -162.1 | -159 | 0 | 0 | 0 | 111.8 | ||||
| 135 | E | 43.8 | Very low | 45.9 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | -133.6 | 162.6 | -167.7 | -105.1 | -79.2 | -152.5 | 0 | 0 | 116 | ||||
| 136 | D | 40.3 | Very low | 46.3 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | trans | 59.4 | -162.2 | 160 | -142.7 | -31.7 | 0 | 0 | 0 | 120.2 | K138 | D136-K138 IonicContact OD1-NZ 2.99Å; D136-K138 PolarHBondContact OD1-NZ 3.32Å; D136-K138 IonicContact OD2-NZ 2.97Å | ||
| 137 | E | 45.3 | Very low | 46.9 | Very low | 130 Ų | 130 | 156.7 Ų | 156.7 | 61% | 0.607 | 78% | 0.781 | S | S | * | * | trans | 74.4 | 77.1 | 171.2 | -77.4 | -73.8 | 112.7 | 0 | 0 | 119.5 | K139 | E137-K139 IonicContact OE2-NZ 2.65Å; E137-K139 PolarHBondContact OE2-NZ 3.5Å | ||
| 138 | K | 50.9 | Low | 47.8 | Very low | 156 Ų | 156 | 161.3 Ų | 161.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -51.4 | 137.2 | 163 | -29.9 | 94.1 | 177.9 | 124.5 | 0 | 113.3 | D136 | D136-K138 IonicContact OD1-NZ 2.99Å; D136-K138 PolarHBondContact OD1-NZ 3.32Å; D136-K138 IonicContact OD2-NZ 2.97Å | ||
| 139 | K | 50.4 | Low | 48.2 | Very low | 167 Ų | 167 | 167 Ų | 167 | 73% | 0.726 | 79% | 0.79 | S | S | * | * | trans | -152.2 | 120.1 | 146.3 | -96.5 | 117.3 | -159.3 | 175.5 | 0 | 117 | E137 | E137-K139 IonicContact OE2-NZ 2.65Å; E137-K139 PolarHBondContact OE2-NZ 3.5Å | ||
| 140 | S | 47.7 | Very low | 48.3 | Very low | 99 Ų | 99 | 166.5 Ų | 166.5 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | -3.3 | 128.3 | 157.1 | 60.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 141 | I | 57.5 | Low | 48.5 | Very low | 163 Ų | 163 | 167.4 Ų | 167.4 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -124.3 | 122.8 | 146.8 | -62.6 | -177.3 | 0 | 0 | 0 | 110.6 | ||||
| 142 | K | 56.5 | Low | 48.3 | Very low | 186 Ų | 186 | 163.8 Ų | 163.8 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | -77.7 | 125.6 | -173.1 | -60.9 | 157.2 | -176.7 | 166.2 | 0 | 111.1 | ||||
| 143 | K | 62.7 | Low | 48.3 | Very low | 209 Ų | 209 | 167.4 Ų | 167.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -105.1 | 127.4 | 165.1 | -72.7 | -174.6 | 177.4 | 177.3 | 0 | 110.8 | ||||
| 144 | K | 63.6 | Low | 48.4 | Very low | 208 Ų | 208 | 169 Ų | 169 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -83.7 | 163.8 | -165 | -71.3 | -180 | 178.7 | 174.9 | 0 | 113.4 | ||||
| 145 | R | 55.3 | Low | 48.6 | Very low | 209 Ų | 209 | 165.4 Ų | 165.4 | 79% | 0.789 | 78% | 0.776 | S | S | * | * | trans | -93.3 | 164.8 | -169.1 | -170.5 | 173.9 | 67.2 | 159.1 | -2.6 | 112.6 | ||||
| 146 | K | 49.3 | Very low | 48.3 | Very low | 164 Ų | 164 | 162.2 Ų | 162.2 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 79.2 | 152.9 | 176 | -48.9 | -73.9 | -174.1 | 169.7 | 0 | 112.6 | ||||
| 147 | R | 51.6 | Low | 48.1 | Very low | 238 Ų | 238 | 163.9 Ų | 163.9 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | cis | -144.8 | 143.5 | 12.6 | -132 | 155.6 | -174.2 | 170.3 | -0.9 | 109 | ||||
| 148 | K | 56.3 | Low | 47.8 | Very low | 214 Ų | 214 | 164.9 Ų | 164.9 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -120 | 111.4 | 165.9 | -86.5 | -91.9 | -171.1 | 178.6 | 0 | 107.8 | ||||
| 149 | R | 42.3 | Very low | 47.1 | Very low | 238 Ų | 238 | 163.3 Ų | 163.3 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -158.1 | 145.1 | 162 | -154.5 | 159.8 | -176.5 | 166.6 | -1.1 | 110.3 | ||||
| 150 | S | 43.7 | Very low | 46.3 | Very low | 97 Ų | 97 | 158.9 Ų | 158.9 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -52.1 | 164.5 | 169.6 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 151 | S | 39.8 | Very low | 45.6 | Very low | 114 Ų | 114 | 161.9 Ų | 161.9 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | cis | -143.5 | -152.4 | 28.3 | -38.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 152 | A | 35.4 | Very low | 44.5 | Very low | 93 Ų | 93 | 160.7 Ų | 160.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | cis | -147.3 | -127.6 | 17.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 153 | K | 36.4 | Very low | 43.8 | Very low | 192 Ų | 192 | 156.7 Ų | 156.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -150.5 | 174.7 | -176.1 | -50.6 | 173.1 | 179.4 | 173.8 | 0 | 105.4 | ||||
| 154 | R | 43.4 | Very low | 42.5 | Very low | 224 Ų | 224 | 153.1 Ų | 153.1 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | cis | -153.4 | -145.7 | 14.2 | -150.9 | -177.2 | -178.3 | -174.7 | -3.3 | 111.4 | ||||
| 155 | P | 49.5 | Very low | 41.5 | Very low | 91 Ų | 91 | 148.6 Ų | 148.6 | 59% | 0.591 | 79% | 0.786 | S | S | * | * | trans | -99.4 | -157.4 | -143.9 | 47.2 | -30 | 0 | 0 | 0 | 111.6 | ||||
| 156 | S | 37.3 | Very low | 40.7 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | cis | -167.9 | 171 | 15.6 | 35.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 157 | D | 34.2 | Very low | 40.9 | Very low | 149 Ų | 149 | 145 Ų | 145 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | cis | -176.3 | 162.6 | -33.1 | -82.1 | -35.5 | 0 | 0 | 0 | 106.2 | ||||
| 158 | V | 39.5 | Very low | 40.8 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -145.6 | 143.6 | 167.7 | 65 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 159 | S | 36.9 | Very low | 40.6 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -98.5 | 160.3 | -161.4 | 47.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 160 | G | 33.4 | Very low | 40.8 | Very low | 74 Ų | 74 | 139.8 Ų | 139.8 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 179.2 | 57.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 161 | D | 32.7 | Very low | 41.2 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | 61.4 | 144.6 | 158 | -141.7 | 33.3 | 0 | 0 | 0 | 122.8 | ||||
| 162 | D | 33.7 | Very low | 41.3 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -55.8 | 162.8 | 177.6 | -109.2 | -82.5 | 0 | 0 | 0 | 115.1 | ||||
| 163 | S | 42.7 | Very low | 42 | Very low | 102 Ų | 102 | 155 Ų | 155 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | cis | -159.9 | 160.9 | 24.7 | 33.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 164 | D | 35 | Very low | 42.3 | Very low | 133 Ų | 133 | 155.7 Ų | 155.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 7.5 | 144.3 | 143.9 | -140.7 | 32 | 0 | 0 | 0 | 118.9 | ||||
| 165 | V | 42.4 | Very low | 41.9 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | cis | -152.6 | 145.4 | 44.4 | -158.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 166 | E | 40.2 | Very low | 41.7 | Very low | 130 Ų | 130 | 156.4 Ų | 156.4 | 61% | 0.607 | 80% | 0.798 | S | S | * | * | trans | 59.5 | 88 | 155.1 | -85 | -164.4 | 149.5 | 0 | 0 | 122.4 | K168 | E166-K168 HydrophobicContact CG-CD 3.85Å; E166-K168 WeakPolarHBondContact OE1-CD 3.39Å; E166-K168 WeakPolarHBondContact OE1-CE 3.37Å; E166-K168 IonicContact OE1-NZ 2.59Å; E166-K168 PolarHBondContact OE1-NZ 3.18Å | ||
| 167 | I | 51.9 | Low | 42.1 | Very low | 167 Ų | 167 | 155 Ų | 155 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -67.3 | 122.2 | 139.8 | -60.4 | 167.8 | 0 | 0 | 0 | 109.5 | ||||
| 168 | K | 50.9 | Low | 42.7 | Very low | 138 Ų | 138 | 156.3 Ų | 156.3 | 60% | 0.6 | 80% | 0.8 | S | S | * | * | trans | -153 | 118.3 | 158.1 | -96.8 | 125.2 | -160.7 | -176.6 | 0 | 115.1 | E166 | E166-K168 HydrophobicContact CG-CD 3.85Å; E166-K168 WeakPolarHBondContact OE1-CD 3.39Å; E166-K168 WeakPolarHBondContact OE1-CE 3.37Å; E166-K168 IonicContact OE1-NZ 2.59Å; E166-K168 PolarHBondContact OE1-NZ 3.18Å | ||
| 169 | K | 51.4 | Low | 43.1 | Very low | 186 Ų | 186 | 158.4 Ų | 158.4 | 81% | 0.809 | 80% | 0.797 | S | S | * | * | trans | 68.6 | 98.9 | 148.7 | -54.4 | 162.2 | -176.1 | 167.4 | 0 | 118.9 | ||||
| 170 | R | 45.3 | Very low | 43.7 | Very low | 257 Ų | 257 | 160.5 Ų | 160.5 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | trans | -153.1 | 86.6 | 137.4 | -110.7 | 165 | -159.9 | -95.8 | 1.1 | 112.2 | ||||
| 171 | K | 52.8 | Low | 44.6 | Very low | 202 Ų | 202 | 165.2 Ų | 165.2 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | -99.6 | 156.4 | 165.3 | -171.1 | 173.3 | -176.7 | 175.8 | 0 | 108 | ||||
| 172 | R | 43.1 | Very low | 45.3 | Very low | 241 Ų | 241 | 163 Ų | 163 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | 87.6 | 95 | -174.1 | -52.7 | 175.4 | -173.5 | -162.3 | 0.4 | 114.1 | ||||
| 173 | I | 50 | Low | 46 | Very low | 181 Ų | 181 | 163.7 Ų | 163.7 | 93% | 0.928 | 79% | 0.785 | S | S | * | * | trans | -95.2 | 120.9 | 143.2 | -59.4 | 167.4 | 0 | 0 | 0 | 104.8 | ||||
| 174 | R | 41.8 | Very low | 46.5 | Very low | 207 Ų | 207 | 167.9 Ų | 167.9 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -163.8 | 151.4 | 168.6 | -173.9 | 168.6 | 177.1 | 136.3 | 4.7 | 109.4 | ||||
| 175 | E | 34.3 | Very low | 47.2 | Very low | 161 Ų | 161 | 169.4 Ų | 169.4 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 72.4 | 126.9 | 172.9 | -93.8 | 125 | -141.3 | 0 | 0 | 117.8 | ||||
| 176 | D | 46.7 | Very low | 47.7 | Very low | 169 Ų | 169 | 173.7 Ų | 173.7 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -90.2 | 171.2 | 172.7 | -169 | 2.4 | 0 | 0 | 0 | 109.2 | ||||
| 177 | G | 44.9 | Very low | 48.3 | Very low | 71 Ų | 71 | 176.3 Ų | 176.3 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 116.8 | 9.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 178 | E | 46.2 | Very low | 48.4 | Very low | 176 Ų | 176 | 178.8 Ų | 178.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -131.3 | 78.2 | 178.4 | -165.8 | 170.9 | -133.9 | 0 | 0 | 114.1 | ||||
| 179 | K | 49.6 | Very low | 48.6 | Very low | 194 Ų | 194 | 182 Ų | 182 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -138.4 | -22.2 | 167.5 | -77.4 | -171 | 177 | 173.3 | 0 | 116.3 | K181 | K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.67Å | ||
| 180 | D | 47.8 | Very low | 48.3 | Very low | 168 Ų | 168 | 185 Ų | 185 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 0.1 | -168.9 | -105.1 | 20.2 | 0 | 0 | 0 | 116.7 | ||
| 181 | K | 53.3 | Low | 48.5 | Very low | 172 Ų | 172 | 182.3 Ų | 182.3 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -24.9 | -172.1 | -69 | 176.6 | -178.4 | 168 | 0 | 114.7 | K179 | K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.67Å |
| 182 | D | 46.4 | Very low | 48.2 | Very low | 117 Ų | 117 | 179.4 Ų | 179.4 | 63% | 0.626 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -80.2 | -21.9 | -169.1 | -87.1 | 0.2 | 0 | 0 | 0 | 115.4 | K184 | D182-K184 VanDerWaalsContact C-N 3.35Å; D182-K184 PolarHBondContact O-N 3.31Å |
| 183 | E | 50.2 | Low | 47.9 | Very low | 152 Ų | 152 | 176.5 Ų | 176.5 | 71% | 0.71 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -29 | -175.9 | -172.1 | 164.5 | -149.2 | 0 | 0 | 112.5 | E185 | E183-E185 VanDerWaalsContact C-N 3.31Å; E183-E185 PolarHBondContact O-N 2.98Å |
| 184 | K | 52.4 | Low | 47.6 | Very low | 190 Ų | 190 | 180 Ų | 180 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -26 | -174.2 | -161.6 | 167 | -174.1 | 171.3 | 0 | 113.6 | D182 | D182-K184 VanDerWaalsContact C-N 3.35Å; D182-K184 PolarHBondContact O-N 3.31Å |
| 185 | E | 50 | Low | 47.6 | Very low | 166 Ų | 166 | 174.8 Ų | 174.8 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -27.3 | -176.3 | -159 | 173.6 | -125.9 | 0 | 0 | 113.2 | E183 K187 R188 | E183-E185 VanDerWaalsContact C-N 3.31Å; E183-E185 PolarHBondContact O-N 2.98Å; E185-K187 PolarHBondContact O-N 3.14Å; E185-K187 VanDerWaalsContact O-N 3.09Å; E185-R188 PolarHBondContact O-N 2.95Å |
| 186 | R | 53.2 | Low | 47.6 | Very low | 203 Ų | 203 | 175.9 Ų | 175.9 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -11.7 | -170.9 | -63.6 | -176.3 | -175.8 | -176.4 | 2.3 | 115.3 | ||
| 187 | K | 51.1 | Low | 47.6 | Very low | 185 Ų | 185 | 176.7 Ų | 176.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -2.8 | -178.7 | -70.7 | -178.7 | 178.7 | 172.6 | 0 | 114.7 | E185 | E185-K187 PolarHBondContact O-N 3.14Å; E185-K187 VanDerWaalsContact O-N 3.09Å |
| 188 | R | 54.4 | Low | 47.1 | Very low | 219 Ų | 219 | 179.9 Ų | 179.9 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -112.1 | 78.9 | -178.7 | -71.5 | -178.5 | 170.6 | -177.5 | -3.9 | 113.3 | E185 | E185-R188 PolarHBondContact O-N 2.95Š|
| 189 | K | 56.3 | Low | 46.6 | Very low | 206 Ų | 206 | 177.5 Ų | 177.5 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | 172.8 | 73.4 | 156 | -95 | 149 | -171.3 | 171.2 | 0 | 113.1 | ||||
| 190 | R | 45.1 | Very low | 45.8 | Very low | 249 Ų | 249 | 173.6 Ų | 173.6 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | trans | -157.8 | 84 | 157.4 | -78.6 | -152.4 | 175.9 | 107.9 | 1.8 | 111.6 | ||||
| 191 | K | 48.1 | Very low | 45.1 | Very low | 200 Ų | 200 | 171.6 Ų | 171.6 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -147 | 151.7 | 156.2 | -83.1 | -161.9 | 175.5 | -172.1 | 0 | 106.5 | ||||
| 192 | T | 48.2 | Very low | 44 | Very low | 140 Ų | 140 | 172.3 Ų | 172.3 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | 59.3 | 133.3 | -143.9 | 78 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 193 | E | 36.9 | Very low | 43.2 | Very low | 180 Ų | 180 | 172.6 Ų | 172.6 | 84% | 0.841 | 83% | 0.83 | S | S | * | * | cis | -116.9 | 142.7 | 4.8 | -62.9 | 149.4 | 150.8 | 0 | 0 | 110.8 | ||||
| 194 | R | 42 | Very low | 42.5 | Very low | 255 Ų | 255 | 171.2 Ų | 171.2 | 96% | 0.962 | 83% | 0.832 | S | S | * | * | trans | -154.7 | 57.8 | 158.9 | -161.2 | 170.6 | -176.9 | 148.5 | 2.9 | 111.4 | ||||
| 195 | S | 41.8 | Very low | 41.5 | Very low | 97 Ų | 97 | 168 Ų | 168 | 68% | 0.678 | 83% | 0.829 | S | S | * | * | trans | -111.9 | 97.5 | 166.2 | 49 | 0 | 0 | 0 | 0 | 108 | ||||
| 196 | H | 35.4 | Very low | 40.7 | Very low | 185 Ų | 185 | 166.6 Ų | 166.6 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | -164.2 | 121.8 | 127.1 | -99.8 | -69.5 | 0 | 0 | 0 | 107.7 | |||||
| 197 | K | 47 | Very low | 39.8 | Very low | 186 Ų | 186 | 162.6 Ų | 162.6 | 81% | 0.809 | 83% | 0.834 | S | S | * | * | trans | -82.9 | 170.9 | 163.8 | -166.2 | 177.5 | 176.2 | -175.2 | 0 | 107.2 | ||||
| 198 | D | 33.8 | Very low | 39 | Very low | 137 Ų | 137 | 160.4 Ų | 160.4 | 73% | 0.733 | 83% | 0.831 | S | S | * | * | trans | 109.3 | 96.8 | 163.6 | -51.1 | -22.3 | 0 | 0 | 0 | 115.6 | ||||
| 199 | S | 36 | Very low | 37.7 | Very low | 126 Ų | 126 | 159.8 Ų | 159.8 | 88% | 0.881 | 83% | 0.829 | S | S | * | * | trans | 178 | 121.7 | 133.1 | -76.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 200 | S | 32.7 | Very low | 36.5 | Very low | 113 Ų | 113 | 156.8 Ų | 156.8 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -81 | 156.6 | 174 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 201 | S | 33.3 | Very low | 36.2 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -157.1 | 137.6 | 141.9 | -76.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 202 | E | 29.5 | Very low | 35.5 | Very low | 188 Ų | 188 | 148.7 Ų | 148.7 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -94.2 | 148.6 | -172.8 | -65.9 | 157.6 | 113.7 | 0 | 0 | 110.6 | ||||
| 203 | S | 30 | Very low | 34.7 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -119.6 | 112.2 | 176.9 | 61.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 204 | T | 34.5 | Very low | 35.6 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -128.7 | 156.3 | 175.4 | 51.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 205 | V | 33.2 | Very low | 35.5 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | trans | 69 | 100.4 | -175.9 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 206 | V | 31.8 | Very low | 35.8 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | 63.9 | 93.1 | 51.2 | -169 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 207 | S | 35.3 | Very low | 36.2 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -145.9 | 134.2 | 154.8 | -74.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 208 | D | 34.6 | Very low | 36.4 | Very low | 139 Ų | 139 | 152.1 Ų | 152.1 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | -87.1 | -169.5 | 174.3 | -176.6 | 20.6 | 0 | 0 | 0 | 109.6 | ||||
| 209 | W | 26.7 | Very low | 36.9 | Very low | 206 Ų | 206 | 157.7 Ų | 157.7 | 78% | 0.78 | 83% | 0.831 | S | S | * | * | trans | 89.2 | 95.8 | 168.9 | -63.4 | 80.4 | 0 | 0 | 0 | 119.3 | ||||
| 210 | D | 30.7 | Very low | 37 | Very low | 143 Ų | 143 | 155.9 Ų | 155.9 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | 81.9 | 168.9 | 111.9 | -123.8 | -89.3 | 0 | 0 | 0 | 123.3 | |||||
| 211 | E | 38.5 | Very low | 38 | Very low | 181 Ų | 181 | 154.6 Ų | 154.6 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -100.2 | 125 | -154.8 | 179.9 | 179.5 | 131.7 | 0 | 0 | 113.3 | ||||
| 212 | A | 32.7 | Very low | 38.7 | Very low | 98 Ų | 98 | 155.5 Ų | 155.5 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -172 | 134.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 213 | E | 32.5 | Very low | 39.8 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -88.8 | -178.4 | 155.3 | -77.8 | -152.6 | 161.7 | 0 | 0 | 111.3 | ||||
| 214 | P | 55.2 | Low | 41 | Very low | 95 Ų | 95 | 157.2 Ų | 157.2 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | -130 | 159.9 | -56.8 | 36.3 | -22.7 | 0 | 0 | 0 | 111.8 | |||||
| 215 | K | 39.8 | Very low | 41.9 | Very low | 214 Ų | 214 | 158 Ų | 158 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -153.5 | 153.7 | 162 | -101.6 | 119.7 | -165.5 | 171 | 0 | 115.6 | ||||
| 216 | K | 48.3 | Very low | 43.1 | Very low | 206 Ų | 206 | 158.9 Ų | 158.9 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | trans | -85.5 | 139.7 | -170.1 | -53 | 164.1 | -175.3 | 169.8 | 0 | 112.4 | ||||
| 217 | K | 43.5 | Very low | 44 | Very low | 216 Ų | 216 | 159.8 Ų | 159.8 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | trans | -138.7 | 144.4 | 157 | -72 | -172.7 | 179 | 173.4 | 0 | 111.4 | ||||
| 218 | K | 51.5 | Low | 45 | Very low | 204 Ų | 204 | 158.1 Ų | 158.1 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -107.1 | 138 | 174.5 | -61 | 176.4 | 179.7 | 177.7 | 0 | 109.6 | ||||
| 219 | R | 43.7 | Very low | 45.9 | Very low | 254 Ų | 254 | 157.1 Ų | 157.1 | 96% | 0.958 | 75% | 0.747 | S | S | * | * | trans | 171.9 | 133.2 | 141.6 | -102.3 | 165.7 | 172 | 141.6 | -2.6 | 112.4 | ||||
| 220 | S | 38.5 | Very low | 47.2 | Very low | 87 Ų | 87 | 155.1 Ų | 155.1 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | trans | 159.1 | 122.2 | 144.9 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 221 | S | 53.2 | Low | 48.1 | Very low | 87 Ų | 87 | 156 Ų | 156 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | trans | -139.8 | -28.4 | 178.3 | 46.4 | 0 | 0 | 0 | 0 | 113.9 | E223 R224 | S221-E223 VanDerWaalsContact C-N 3.32Å; S221-E223 PolarHBondContact O-N 2.89Å; S221-R224 PolarHBondContact O-N 3.25Å | ||
| 222 | E | 50 | Low | 48.9 | Very low | 143 Ų | 143 | 151.5 Ų | 151.5 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -18.8 | -172 | -65.8 | 166.7 | 83.7 | 0 | 0 | 115 | R224 | E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 3.38Å |
| 223 | E | 51.5 | Low | 49.8 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -70.2 | -27.2 | 176.4 | -65.1 | -169 | 105.5 | 0 | 0 | 112.8 | S221 E225 F227 | S221-E223 VanDerWaalsContact C-N 3.32Å; S221-E223 PolarHBondContact O-N 2.89Å; E223-E225 PolarHBondContact O-N 3.48Å; E223-F227 PolarHBondContact O-N 3.04Å |
| 224 | R | 55.5 | Low | 50.9 | Low | 200 Ų | 200 | 153.1 Ų | 153.1 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -66.4 | -41 | -174.1 | -69.9 | -175.7 | 169.1 | -165.9 | -4.1 | 112.5 | S221 E222 F227 T228 | S221-R224 PolarHBondContact O-N 3.25Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 3.38Å; R224-F227 PolarHBondContact O-N 3.11Å; R224-T228 PolarHBondContact O-N 3.07Å |
| 225 | E | 53.9 | Low | 50.8 | Low | 141 Ų | 141 | 152.8 Ų | 152.8 | 66% | 0.659 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -73.5 | -36.5 | -176.7 | -60.1 | -171.6 | 147.4 | 0 | 0 | 112.4 | E223 F227 T228 L229 | E223-E225 PolarHBondContact O-N 3.48Å; E225-F227 PolarHBondContact O-N 3.31Å; E225-T228 PolarHBondContact O-N 2.85Å; E225-T228 PolarHBondContact O-OG1 2.92Å; E225-T228 VanDerWaalsContact O-OG1 3.1Å; E225-L229 PolarHBondContact O-N 3.14Å; E225-L229 VanDerWaalsContact O-N 3.1Å |
| 226 | K | 57.2 | Low | 51.6 | Low | 140 Ų | 140 | 152.1 Ų | 152.1 | 61% | 0.609 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -64 | -23.1 | 175.4 | -68.1 | 172.3 | -176.8 | 167.2 | 0 | 112.4 | K230 | K226-K230 WeakPolarHBondContact O-CD 3.07Å; K226-K230 WeakPolarHBondContact O-CG 3.38Å |
| 227 | F | 51.1 | Low | 52.1 | Low | 156 Ų | 156 | 151.9 Ų | 151.9 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -82.4 | -46.8 | 173.5 | -168.8 | -93.8 | 0 | 0 | 0 | 112.4 | E223 R224 E225 K230 F231 | E223-F227 PolarHBondContact O-N 3.04Å; R224-F227 PolarHBondContact O-N 3.11Å; E225-F227 PolarHBondContact O-N 3.31Å; F227-K230 PolarHBondContact O-N 2.97Å; F227-F231 PolarHBondContact O-N 2.98Å |
| 228 | T | 56.7 | Low | 52.9 | Low | 84 Ų | 84 | 151.8 Ų | 151.8 | 52% | 0.515 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -65.3 | -42.9 | -177.3 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | R224 E225 K230 F231 T232 | R224-T228 PolarHBondContact O-N 3.07Å; E225-T228 PolarHBondContact O-N 2.85Å; E225-T228 PolarHBondContact O-OG1 2.92Å; E225-T228 VanDerWaalsContact O-OG1 3.1Å; T228-K230 VanDerWaalsContact C-N 3.33Å; T228-K230 PolarHBondContact O-N 2.99Å; T228-F231 PolarHBondContact O-N 2.86Å; T228-F231 VanDerWaalsContact O-N 3.15Å; T228-T232 PolarHBondContact O-N 3.17Å |
| 229 | L | 52.8 | Low | 53.2 | Low | 118 Ų | 118 | 154 Ų | 154 | 62% | 0.618 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -61.6 | -36.9 | 178.1 | -104 | 166 | 0 | 0 | 0 | 113.2 | E225 F231 T232 | E225-L229 PolarHBondContact O-N 3.14Å; E225-L229 VanDerWaalsContact O-N 3.1Å; L229-F231 VanDerWaalsContact C-N 3.27Å; L229-F231 PolarHBondContact O-N 3.3Å; L229-T232 PolarHBondContact O-OG1 3.07Å |
| 230 | K | 54.6 | Low | 53.9 | Low | 163 Ų | 163 | 152.2 Ų | 152.2 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -69.8 | -23.8 | 178 | -72.4 | 179.2 | -177.4 | 177.4 | 0 | 113 | K226 F227 T228 | K226-K230 WeakPolarHBondContact O-CD 3.07Å; K226-K230 WeakPolarHBondContact O-CG 3.38Å; F227-K230 PolarHBondContact O-N 2.97Å; T228-K230 VanDerWaalsContact C-N 3.33Å; T228-K230 PolarHBondContact O-N 2.99Å |
| 231 | F | 50.3 | Low | 55.1 | Low | 163 Ų | 163 | 157.4 Ų | 157.4 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -82.5 | -40.9 | -177.5 | -162.8 | -98.4 | 0 | 0 | 0 | 112.7 | F227 T228 L229 | F227-F231 PolarHBondContact O-N 2.98Å; T228-F231 PolarHBondContact O-N 2.86Å; T228-F231 VanDerWaalsContact O-N 3.15Å; L229-F231 VanDerWaalsContact C-N 3.27Å; L229-F231 PolarHBondContact O-N 3.3Å |
| 232 | T | 54 | Low | 55.5 | Low | 86 Ų | 86 | 163.1 Ų | 163.1 | 53% | 0.528 | 74% | 0.744 | S | S | . | * | H | α-helix | trans | -69.7 | -45.8 | -174 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | T228 L229 K234 S235 | T228-T232 PolarHBondContact O-N 3.17Å; L229-T232 PolarHBondContact O-OG1 3.07Å; T232-K234 VanDerWaalsContact C-N 3.28Å; T232-K234 PolarHBondContact O-N 2.82Å; T232-S235 PolarHBondContact O-N 2.96Å; T232-S235 PolarHBondContact O-OG 3.47Å |
| 233 | V | 51.2 | Low | 55.5 | Low | 117 Ų | 117 | 165 Ų | 165 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -61.3 | -33.1 | -174.3 | 177.8 | 0 | 0 | 0 | 0 | 112.7 | S235 | V233-S235 PolarHBondContact O-N 3.34Å; V233-S235 VanDerWaalsContact O-N 3.14Å |
| 234 | K | 57.2 | Low | 56 | Low | 195 Ų | 195 | 166.8 Ų | 166.8 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -77.5 | 1.8 | -170.5 | -140.2 | 165.9 | -172.9 | 171.6 | 0 | 114.7 | T232 | T232-K234 VanDerWaalsContact C-N 3.28Å; T232-K234 PolarHBondContact O-N 2.82Å |
| 235 | S | 51.6 | Low | 56.6 | Low | 87 Ų | 87 | 166.4 Ų | 166.4 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -92.3 | -26.6 | -166.4 | 61.5 | 0 | 0 | 0 | 0 | 116.3 | T232 V233 K237 | T232-S235 PolarHBondContact O-N 2.96Å; T232-S235 PolarHBondContact O-OG 3.47Å; V233-S235 PolarHBondContact O-N 3.34Å; V233-S235 VanDerWaalsContact O-N 3.14Å; S235-K237 PolarHBondContact O-N 2.59Å |
| 236 | K | 57.2 | Low | 56.7 | Low | 200 Ų | 200 | 167.6 Ų | 167.6 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -97.7 | 30.9 | -160.9 | -68.7 | -170.4 | 176 | -180 | 0 | 117.6 | ||
| 237 | K | 59.7 | Low | 56.4 | Low | 201 Ų | 201 | 164.2 Ų | 164.2 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -143.8 | 78.9 | -178 | -161 | 171.6 | -176.1 | 174.5 | 0 | 116.8 | S235 | S235-K237 PolarHBondContact O-N 2.59Š| ||
| 238 | K | 60 | Low | 56.9 | Low | 214 Ų | 214 | 169 Ų | 169 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -138.6 | 119.5 | 157.6 | -69.5 | -167.8 | 177.6 | -179.7 | 0 | 111.7 | ||||
| 239 | R | 57.7 | Low | 57.3 | Low | 250 Ų | 250 | 175 Ų | 175 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | trans | -77.9 | 148.1 | 179.7 | -85.4 | 159.8 | 58.7 | 176.1 | -3.2 | 111.6 | ||||
| 240 | K | 59 | Low | 57.8 | Low | 217 Ų | 217 | 178.8 Ų | 178.8 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | trans | -63.5 | 138.1 | 174.8 | -65.6 | 178.3 | 179.2 | 175.4 | 0 | 111.1 | ||||
| 241 | K | 63.5 | Low | 58.1 | Low | 197 Ų | 197 | 180.5 Ų | 180.5 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -117.9 | 125.4 | 168.6 | -171.3 | 173 | -177.5 | 175.5 | 0 | 108.4 | ||||
| 242 | K | 61.3 | Low | 58.3 | Low | 206 Ų | 206 | 183 Ų | 183 | 90% | 0.896 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 147.9 | 179.7 | -69.7 | -174.8 | 177.8 | -179.9 | 0 | 110.8 | ||
| 243 | H | 50.5 | Low | 58.2 | Low | 182 Ų | 182 | 188.3 Ų | 188.3 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 132.8 | 176 | -65.4 | -94.3 | 0 | 0 | 0 | 111.4 | ||
| 244 | K | 61.8 | Low | 58.1 | Low | 185 Ų | 185 | 186.6 Ų | 186.6 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 126.1 | 171.3 | -173.9 | 166.9 | 177.9 | 172.6 | 0 | 109.2 | H246 | K244-H246 WeakPolarHBondContact CE-NE2 3.03Š|
| 245 | K | 66.9 | Low | 57.6 | Low | 193 Ų | 193 | 182.6 Ų | 182.6 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | trans | -108.4 | 122 | 179.2 | -77.6 | -174.3 | 177.5 | 179.2 | 0 | 111.4 | ||||
| 246 | H | 57.3 | Low | 57.3 | Low | 165 Ų | 165 | 183.4 Ų | 183.4 | 76% | 0.764 | 85% | 0.846 | S | S | * | * | trans | -138 | 151.9 | 154.2 | -52.7 | -72.4 | 0 | 0 | 0 | 106.6 | K244 | K244-H246 WeakPolarHBondContact CE-NE2 3.03Š| ||
| 247 | G | 50.1 | Low | 56.7 | Low | 70 Ų | 70 | 182.5 Ų | 182.5 | 72% | 0.722 | 85% | 0.845 | S | S | * | * | cis | 157.2 | 88.6 | -1.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | K249 | G247-K249 PolarHBondContact O-N 3.15Å; G247-K249 VanDerWaalsContact O-N 3.15Å | ||
| 248 | R | 62.1 | Low | 56.1 | Low | 256 Ų | 256 | 178.6 Ų | 178.6 | 97% | 0.966 | 84% | 0.843 | S | S | * | * | trans | -62.7 | 113.9 | -173.1 | -64.2 | 172.2 | 75.7 | -168.6 | 8 | 110.9 | ||||
| 249 | K | 65.4 | Low | 55.6 | Low | 211 Ų | 211 | 175.8 Ų | 175.8 | 92% | 0.917 | 84% | 0.838 | S | S | * | * | trans | -91.7 | 154.2 | 159.9 | -73.8 | -169.8 | 173.9 | -176 | 0 | 110.2 | G247 | G247-K249 PolarHBondContact O-N 3.15Å; G247-K249 VanDerWaalsContact O-N 3.15Å | ||
| 250 | K | 62.3 | Low | 55.3 | Low | 197 Ų | 197 | 168.3 Ų | 168.3 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -105.7 | 159.1 | -170.2 | -66.3 | 178.4 | 179.9 | 174.1 | 0 | 112 | ||||
| 251 | K | 62.2 | Low | 55 | Low | 199 Ų | 199 | 166.9 Ų | 166.9 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | 15.6 | 135 | 149.7 | -61.8 | -174.5 | 175.5 | -170.7 | 0 | 119.1 | ||||
| 252 | K | 53.8 | Low | 54.2 | Low | 215 Ų | 215 | 165.2 Ų | 165.2 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | -139.5 | 164.9 | 116.7 | -79.3 | -157.3 | 176.5 | -176.3 | 0 | 109.9 | |||||
| 253 | K | 52.4 | Low | 53.6 | Low | 197 Ų | 197 | 166.9 Ų | 166.9 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | trans | -143.7 | 128.7 | 173.8 | 175 | -172.8 | 174.6 | -174.9 | 0 | 108.1 | ||||
| 254 | A | 47.5 | Very low | 53.7 | Low | 81 Ų | 81 | 166.1 Ų | 166.1 | 67% | 0.669 | 84% | 0.839 | S | S | * | * | trans | -157.6 | 144.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 255 | T | 48 | Very low | 53.3 | Low | 112 Ų | 112 | 165.1 Ų | 165.1 | 69% | 0.687 | 84% | 0.841 | S | S | * | * | cis | 73.4 | 141.2 | 34 | 71.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 256 | S | 43.9 | Very low | 52.6 | Low | 104 Ų | 104 | 163.6 Ų | 163.6 | 73% | 0.727 | 84% | 0.841 | S | S | * | * | trans | 69.2 | 145.1 | -171.4 | -53.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 257 | Q | 45 | Very low | 52.3 | Low | 180 Ų | 180 | 163.5 Ų | 163.5 | 84% | 0.841 | 85% | 0.845 | S | S | * | * | cis | -155 | 176.5 | -18.7 | -130 | 156.9 | -64.1 | 0 | 0 | 109.5 | ||||
| 258 | S | 47.8 | Very low | 52.4 | Low | 119 Ų | 119 | 169.3 Ų | 169.3 | 83% | 0.832 | 85% | 0.853 | S | S | * | * | trans | -67.7 | 151.5 | 175 | -41.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 259 | D | 49.3 | Very low | 51.8 | Low | 155 Ų | 155 | 163.5 Ų | 163.5 | 83% | 0.829 | 85% | 0.845 | S | S | * | * | trans | -151 | -174 | 145.8 | -144.6 | -22.8 | 0 | 0 | 0 | 110.5 | ||||
| 260 | S | 51.8 | Low | 50.8 | Low | 94 Ų | 94 | 160.1 Ų | 160.1 | 66% | 0.657 | 84% | 0.84 | S | S | * | * | trans | -126.3 | -169.2 | -137.5 | -45.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 261 | E | 51.3 | Low | 49.9 | Very low | 187 Ų | 187 | 157.3 Ų | 157.3 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | 83.1 | 171.8 | 157.3 | -75.8 | -176 | 116.3 | 0 | 0 | 120.6 | ||||
| 262 | L | 47.2 | Very low | 48.9 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 85% | 0.848 | 84% | 0.837 | S | S | * | * | trans | -116.4 | 149.1 | -145.8 | -64.2 | 143.4 | 0 | 0 | 0 | 112.4 | ||||
| 263 | D | 48.5 | Very low | 48.4 | Very low | 240 Ų | 240 | 148.3 Ų | 148.3 | 100% | 1.283 | 83% | 0.828 | S | S | * | * | -159.7 | 0 | 128.3 | -140.4 | 15.6 | 0 | 0 | 0 | 109.1 |
Retrieved 263 of 263 residues in 50.2 ms
(Link to these results)