| 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 | 56.9 | Low | 89.2 | Confident | 228 Ų | 228 | 134.3 Ų | 134.3 | 100% | 1.123 | 71% | 0.713 | S | S | * | * | 0 | 122 | 0 | -146.4 | 170.9 | -159.1 | 0 | 0 | 106.5 | F3 | M1-F3 PolarHBondContact O-N 3.16Š| |||
| 2 | G | 77.8 | Confident | 89.9 | Confident | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | trans | -72.7 | 127.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V4 | G2-V4 PolarHBondContact O-N 3.06Å; G2-V4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | F | 87.1 | Confident | 90.5 | Very high | 216 Ų | 216 | 129.5 Ų | 129.5 | 95% | 0.947 | 67% | 0.67 | S | S | * | * | trans | -76.1 | 11.9 | 179.2 | -63.9 | -79.7 | 0 | 0 | 0 | 114.1 | M1 | M1-F3 PolarHBondContact O-N 3.16Š| ||
| 4 | V | 91.8 | Very high | 91 | Very high | 122 Ų | 122 | 132.4 Ų | 132.4 | 74% | 0.739 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -98 | 129.8 | -175.6 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | G2 V6 | G2-V4 PolarHBondContact O-N 3.06Å; G2-V4 VanDerWaalsContact O-N 3.14Å; V4-V6 PolarHBondContact O-N 3.34Å |
| 5 | K | 91.8 | Very high | 91.4 | Very high | 183 Ų | 183 | 137.1 Ų | 137.1 | 80% | 0.796 | 68% | 0.681 | S | S | * | * | trans | -59.5 | 124.5 | 175.9 | -175.6 | 176.1 | -177.4 | 173.5 | 0 | 111 | V7 | K5-V7 PolarHBondContact O-N 2.95Å; K5-V7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | V | 93.6 | Very high | 91.8 | Very high | 103 Ų | 103 | 136.1 Ų | 136.1 | 62% | 0.624 | 67% | 0.668 | S | S | * | * | trans | -69.5 | 110.8 | 176.8 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | V4 | V4-V6 PolarHBondContact O-N 3.34Š| ||
| 7 | V | 95.1 | Very high | 92.2 | Very high | 117 Ų | 117 | 137.4 Ų | 137.4 | 71% | 0.709 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -79.1 | -40.2 | -177.2 | -137.1 | 0 | 0 | 0 | 0 | 112.4 | K5 N9 | K5-V7 PolarHBondContact O-N 2.95Å; K5-V7 VanDerWaalsContact O-N 3.13Å; V7-N9 VanDerWaalsContact C-N 3.25Å; V7-N9 PolarHBondContact O-N 3.32Å; V7-N9 VanDerWaalsContact O-N 3.07Å |
| 8 | K | 96.1 | Very high | 92.5 | Very high | 153 Ų | 153 | 134.2 Ų | 134.2 | 67% | 0.665 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -86.1 | 61.9 | 177 | -67.1 | -177.8 | 179.6 | 175.6 | 0 | 111.1 | F13 | K8-F13 HydrophobicContact CB-CE2 4.23Å; K8-F13 HydrophobicContact CB-CZ 4.19Å |
| 9 | N | 96.3 | Very high | 92.8 | Very high | 61 Ų | 61 | 134 Ų | 134 | 33% | 0.326 | 66% | 0.657 | S | S | . | * | trans | -92.1 | 178.5 | -177.3 | 66 | 14.2 | 0 | 0 | 0 | 112.8 | V7 A11 Y12 F13 | V7-N9 VanDerWaalsContact C-N 3.25Å; V7-N9 PolarHBondContact O-N 3.32Å; V7-N9 VanDerWaalsContact O-N 3.07Å; N9-A11 VanDerWaalsContact C-N 3.25Å; N9-A11 PolarHBondContact O-N 2.89Å; N9-A11 PolarHBondContact OD1-N 3.21Å; N9-Y12 WeakPolarHBondContact O-CB 3.42Å; N9-Y12 PolarHBondContact O-N 3.42Å; N9-Y12 VanDerWaalsContact O-N 3.17Å; N9-Y12 WeakPolarHBondContact OD1-CB 3.49Å; N9-Y12 PolarHBondContact OD1-N 3.34Å; N9-F13 VanDerWaalsContact O-CD2 3.28Å; N9-F13 WeakPolarHBondContact O-CD2 3.38Å; N9-F13 PolarHBondContact O-N 3.15Å | ||
| 10 | K | 97.3 | Very high | 93 | Very high | 170 Ų | 170 | 134.5 Ų | 134.5 | 74% | 0.739 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -57.1 | -38.2 | 178.1 | -172.7 | 176 | -176.8 | 178.3 | 0 | 112.5 | K14 | K10-K14 WeakPolarHBondContact O-CG 2.99Å; K10-K14 PolarHBondContact O-N 3.3Å; K10-K14 VanDerWaalsContact O-N 3.15Å |
| 11 | A | 97.5 | Very high | 93.3 | Very high | 51 Ų | 51 | 136.2 Ų | 136.2 | 42% | 0.421 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67 | -38.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N9 K14 R15 | N9-A11 VanDerWaalsContact C-N 3.25Å; N9-A11 PolarHBondContact O-N 2.89Å; N9-A11 PolarHBondContact OD1-N 3.21Å; A11-K14 PolarHBondContact O-N 3.44Å; A11-R15 WeakPolarHBondContact O-CG 3.37Å; A11-R15 PolarHBondContact O-N 2.91Å |
| 12 | Y | 97.7 | Very high | 95.2 | Very high | 75 Ų | 75 | 130.6 Ų | 130.6 | 29% | 0.294 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -56.3 | -54.3 | 174.6 | 174.7 | -91.8 | 0 | 0 | 0 | 111.1 | N9 K14 R15 Y16 | N9-Y12 WeakPolarHBondContact O-CB 3.42Å; N9-Y12 PolarHBondContact O-N 3.42Å; N9-Y12 VanDerWaalsContact O-N 3.17Å; N9-Y12 WeakPolarHBondContact OD1-CB 3.49Å; N9-Y12 PolarHBondContact OD1-N 3.34Å; Y12-K14 VanDerWaalsContact C-N 3.31Å; Y12-K14 PolarHBondContact O-N 2.65Å; Y12-R15 CarbonylContact O-C 3.57Å; Y12-R15 PolarHBondContact O-N 3.35Å; Y12-Y16 HydrophobicContact CD1-CD2 4.45Å; Y12-Y16 AromaticContact CE1-CD2 3.6Å; Y12-Y16 HydrophobicContact CE1-CD2 3.6Å; Y12-Y16 HydrophobicContact CE1-CE2 4.09Å; Y12-Y16 HydrophobicContact CE1-CG 4.14Å; Y12-Y16 HydrophobicContact CE2-CD2 4.07Å; Y12-Y16 HydrophobicContact CE2-CE2 4.46Å; Y12-Y16 AromaticContact CZ-CD2 3.39Å; Y12-Y16 AromaticContact CZ-CE2 3.63Å; Y12-Y16 WeakPolarHBondContact O-CB 3.43Å; Y12-Y16 PolarHBondContact O-N 3.47Å; Y12-Y16 WeakPolarHBondContact OH-CD2 3.32Å; Y12-Y16 WeakPolarHBondContact OH-CE2 3.24Å |
| 13 | F | 97.7 | Very high | 96.2 | Very high | 131 Ų | 131 | 133.4 Ų | 133.4 | 58% | 0.575 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.4 | -29.9 | -177.8 | -66.9 | -67.3 | 0 | 0 | 0 | 113.4 | K8 N9 R15 Y16 | K8-F13 HydrophobicContact CB-CE2 4.23Å; K8-F13 HydrophobicContact CB-CZ 4.19Å; N9-F13 VanDerWaalsContact O-CD2 3.28Å; N9-F13 WeakPolarHBondContact O-CD2 3.38Å; N9-F13 PolarHBondContact O-N 3.15Å; F13-R15 VanDerWaalsContact C-N 3.26Å; F13-R15 PolarHBondContact O-N 3.46Å; F13-Y16 PolarHBondContact O-N 3.47Å |
| 14 | K | 97.2 | Very high | 96.7 | Very high | 170 Ų | 170 | 130.1 Ų | 130.1 | 74% | 0.739 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62 | -31.3 | 174.5 | -83.8 | -174.4 | 173.1 | -166.9 | 0 | 113.2 | K10 A11 Y12 | K10-K14 WeakPolarHBondContact O-CG 2.99Å; K10-K14 PolarHBondContact O-N 3.3Å; K10-K14 VanDerWaalsContact O-N 3.15Å; A11-K14 PolarHBondContact O-N 3.44Å; Y12-K14 VanDerWaalsContact C-N 3.31Å; Y12-K14 PolarHBondContact O-N 2.65Å |
| 15 | R | 97.3 | Very high | 97 | Very high | 204 Ų | 204 | 128.6 Ų | 128.6 | 77% | 0.77 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 11 | -178.2 | 71.7 | -170.6 | 176.1 | 177.7 | 0.1 | 113.6 | A11 Y12 F13 E17 | A11-R15 WeakPolarHBondContact O-CG 3.37Å; A11-R15 PolarHBondContact O-N 2.91Å; Y12-R15 CarbonylContact O-C 3.57Å; Y12-R15 PolarHBondContact O-N 3.35Å; F13-R15 VanDerWaalsContact C-N 3.26Å; F13-R15 PolarHBondContact O-N 3.46Å; R15-E17 PolarHBondContact O-N 3.48Å |
| 16 | Y | 97.6 | Very high | 97.2 | Very high | 121 Ų | 121 | 121.8 Ų | 121.8 | 48% | 0.475 | 56% | 0.558 | S | S | . | * | trans | -77.6 | 107.7 | -176.9 | -172.3 | -102.9 | 0 | 0 | 0 | 110.1 | Y12 F13 V18 | Y12-Y16 HydrophobicContact CD1-CD2 4.45Å; Y12-Y16 AromaticContact CE1-CD2 3.6Å; Y12-Y16 HydrophobicContact CE1-CD2 3.6Å; Y12-Y16 HydrophobicContact CE1-CE2 4.09Å; Y12-Y16 HydrophobicContact CE1-CG 4.14Å; Y12-Y16 HydrophobicContact CE2-CD2 4.07Å; Y12-Y16 HydrophobicContact CE2-CE2 4.46Å; Y12-Y16 AromaticContact CZ-CD2 3.39Å; Y12-Y16 AromaticContact CZ-CE2 3.63Å; Y12-Y16 WeakPolarHBondContact O-CB 3.43Å; Y12-Y16 PolarHBondContact O-N 3.47Å; Y12-Y16 WeakPolarHBondContact OH-CD2 3.32Å; Y12-Y16 WeakPolarHBondContact OH-CE2 3.24Å; F13-Y16 PolarHBondContact O-N 3.47Å; Y16-V18 HydrophobicContact CD1-CG1 3.76Å; Y16-V18 HydrophobicContact CE1-CG1 3.81Å; Y16-V18 PolarHBondContact O-N 3.31Å | ||
| 17 | E | 97.9 | Very high | 97.4 | Very high | 157 Ų | 157 | 122.3 Ų | 122.3 | 73% | 0.734 | 55% | 0.551 | S | S | * | * | trans | -82.9 | 113.5 | 173.8 | -166.2 | -167.6 | 165.6 | 0 | 0 | 110.2 | R15 | R15-E17 PolarHBondContact O-N 3.48Š| ||
| 18 | V | 97.6 | Very high | 97.5 | Very high | 80 Ų | 80 | 117.5 Ų | 117.5 | 49% | 0.485 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 130.5 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 110.4 | Y16 | Y16-V18 HydrophobicContact CD1-CG1 3.76Å; Y16-V18 HydrophobicContact CE1-CG1 3.81Å; Y16-V18 PolarHBondContact O-N 3.31Å |
| 19 | K | 98.2 | Very high | 97.6 | Very high | 131 Ų | 131 | 113 Ų | 113 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 163.1 | 169 | -57.4 | -57.5 | -178.2 | -170.9 | 0 | 110.9 | R23 R24 | K19-R23 HydrophobicContact CB-CB 4.38Å; K19-R23 HydrophobicContact CB-CG 4.17Å; K19-R24 HydrophobicContact CB-CG 4.13Å; K19-R24 VanDerWaalsContact O-CD 3.28Å; K19-R24 WeakPolarHBondContact O-CD 3.46Å; K19-R24 WeakPolarHBondContact O-CG 3.43Å; K19-R24 PolarHBondContact O-NH1 3.09Å |
| 20 | F | 98.3 | Very high | 97.7 | Very high | 143 Ų | 143 | 113.5 Ų | 113.5 | 63% | 0.627 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 145.4 | 177.5 | -61.8 | -23.8 | 0 | 0 | 0 | 112.6 | R22 R23 R24 F30 | F20-R22 PolarHBondContact O-N 2.89Å; F20-R23 HydrophobicContact CB-CB 4.44Å; F20-R23 WeakPolarHBondContact O-CA 3.39Å; F20-R23 WeakPolarHBondContact O-CB 3.34Å; F20-R23 PolarHBondContact O-N 2.97Å; F20-R24 PolarHBondContact O-N 3.45Å; F20-F30 HydrophobicContact CB-CD2 4.47Å; F20-F30 HydrophobicContact CB-CE2 3.75Å; F20-F30 HydrophobicContact CB-CZ 3.93Å; F20-F30 AromaticContact CD2-CD1 3.95Å; F20-F30 HydrophobicContact CD2-CD1 3.95Å; F20-F30 AromaticContact CD2-CD2 3.86Å; F20-F30 HydrophobicContact CD2-CD2 3.86Å; F20-F30 AromaticContact CD2-CE1 3.87Å; F20-F30 HydrophobicContact CD2-CE1 3.87Å; F20-F30 AromaticContact CD2-CE2 3.77Å; F20-F30 HydrophobicContact CD2-CE2 3.77Å; F20-F30 AromaticContact CD2-CG 3.94Å; F20-F30 HydrophobicContact CD2-CG 3.94Å; F20-F30 AromaticContact CD2-CZ 3.77Å; F20-F30 HydrophobicContact CD2-CZ 3.77Å; F20-F30 HydrophobicContact CE2-CD1 4.32Å; F20-F30 HydrophobicContact CE2-CE1 4.5Å; F20-F30 HydrophobicContact CE2-CG 4.44Å; F20-F30 HydrophobicContact CG-CE2 4.28Å; F20-F30 HydrophobicContact CG-CZ 4.31Å |
| 21 | R | 98.4 | Very high | 97.7 | Very high | 172 Ų | 172 | 112.8 Ų | 112.8 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -48.3 | -51.8 | -175 | -176.4 | -176.7 | 68.2 | -168.9 | -2.6 | 113 | R23 R24 E25 | R21-R23 VanDerWaalsContact C-N 3.27Å; R21-R23 PolarHBondContact O-N 3.07Å; R21-R24 PolarHBondContact O-N 3.16Å; R21-E25 WeakPolarHBondContact CG-OE1 3.19Å; R21-E25 IonicContact NE-OE1 2.77Å; R21-E25 WeakPolarHBondContact O-CG 3.19Å; R21-E25 PolarHBondContact O-N 3.24Å |
| 22 | R | 97.7 | Very high | 97.7 | Very high | 109 Ų | 109 | 112.4 Ų | 112.4 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -24.9 | -179.6 | -65.3 | -171.4 | 64.1 | 85.6 | 3 | 114 | F20 G26 K27 T28 F30 | F20-R22 PolarHBondContact O-N 2.89Å; R22-G26 PolarHBondContact O-N 3.23Å; R22-K27 PolarHBondContact O-N 3.15Å; R22-T28 PolarHBondContact NE-OG1 3.38Å; R22-T28 PolarHBondContact NH2-OG1 3.3Å; R22-F30 HydrophobicContact CB-CE2 4.14Å; R22-F30 HydrophobicContact CB-CZ 4.15Å |
| 23 | R | 97.9 | Very high | 97.7 | Very high | 133 Ų | 133 | 112.2 Ų | 112.2 | 50% | 0.502 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.1 | -41.2 | 173.3 | -179 | 59.4 | -179.4 | 145.9 | 0.7 | 110.7 | K19 F20 R21 E25 G26 F30 | K19-R23 HydrophobicContact CB-CB 4.38Å; K19-R23 HydrophobicContact CB-CG 4.17Å; F20-R23 HydrophobicContact CB-CB 4.44Å; F20-R23 WeakPolarHBondContact O-CA 3.39Å; F20-R23 WeakPolarHBondContact O-CB 3.34Å; F20-R23 PolarHBondContact O-N 2.97Å; R21-R23 VanDerWaalsContact C-N 3.27Å; R21-R23 PolarHBondContact O-N 3.07Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 2.95Å; R23-G26 PolarHBondContact O-N 2.8Å; R23-F30 HydrophobicContact CB-CD2 4.22Å; R23-F30 HydrophobicContact CB-CE2 4.1Å |
| 24 | R | 98 | Very high | 97.7 | Very high | 147 Ų | 147 | 113 Ų | 113 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -35.2 | 173.6 | -59 | -168.8 | -54 | -121.7 | 16.7 | 112.3 | K19 F20 R21 G26 | K19-R24 HydrophobicContact CB-CG 4.13Å; K19-R24 VanDerWaalsContact O-CD 3.28Å; K19-R24 WeakPolarHBondContact O-CD 3.46Å; K19-R24 WeakPolarHBondContact O-CG 3.43Å; K19-R24 PolarHBondContact O-NH1 3.09Å; F20-R24 PolarHBondContact O-N 3.45Å; R21-R24 PolarHBondContact O-N 3.16Å; R24-G26 PolarHBondContact O-N 3.46Å |
| 25 | E | 97.5 | Very high | 97.8 | Very high | 89 Ų | 89 | 111.4 Ų | 111.4 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -7 | 172 | -69.5 | 175.9 | -150.6 | 0 | 0 | 113.6 | R21 R23 K27 | R21-E25 WeakPolarHBondContact CG-OE1 3.19Å; R21-E25 IonicContact NE-OE1 2.77Å; R21-E25 WeakPolarHBondContact O-CG 3.19Å; R21-E25 PolarHBondContact O-N 3.24Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 2.95Å; E25-K27 VanDerWaalsContact C-N 3.33Å; E25-K27 HydrophobicContact CB-CD 4.14Å; E25-K27 HydrophobicContact CB-CG 4.15Å; E25-K27 PolarHBondContact O-N 3.48Å; E25-K27 WeakPolarHBondContact OE2-CD 3.4Å; E25-K27 WeakPolarHBondContact OE2-CE 3.47Å; E25-K27 IonicContact OE2-NZ 2.75Å; E25-K27 PolarHBondContact OE2-NZ 3.49Å |
| 26 | G | 97.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 103.5 Ų | 103.5 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 27.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R22 R23 R24 L150 | R22-G26 PolarHBondContact O-N 3.23Å; R23-G26 PolarHBondContact O-N 2.8Å; R24-G26 PolarHBondContact O-N 3.46Å; G26-L150 WeakPolarHBondContact O-CD1 3.28Å |
| 27 | K | 97.1 | Very high | 97.8 | Very high | 114 Ų | 114 | 99 Ų | 99 | 50% | 0.496 | 45% | 0.445 | S | S | . | . | trans | -106.3 | -9.9 | -173.9 | -66.6 | 177.9 | -174 | 161.7 | 0 | 114.6 | R22 E25 | R22-K27 PolarHBondContact O-N 3.15Å; E25-K27 VanDerWaalsContact C-N 3.33Å; E25-K27 HydrophobicContact CB-CD 4.14Å; E25-K27 HydrophobicContact CB-CG 4.15Å; E25-K27 PolarHBondContact O-N 3.48Å; E25-K27 WeakPolarHBondContact OE2-CD 3.4Å; E25-K27 WeakPolarHBondContact OE2-CE 3.47Å; E25-K27 IonicContact OE2-NZ 2.75Å; E25-K27 PolarHBondContact OE2-NZ 3.49Å | ||
| 28 | T | 97.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 95.2 Ų | 95.2 | 10% | 0.098 | 43% | 0.432 | C | S | . | . | trans | -149.5 | 129.2 | -173.1 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | R22 F30 R33 | R22-T28 PolarHBondContact NE-OG1 3.38Å; R22-T28 PolarHBondContact NH2-OG1 3.3Å; T28-F30 HydrophobicContact CG2-CD2 4.26Å; T28-F30 HydrophobicContact CG2-CE2 4.24Å; T28-F30 HydrophobicContact CG2-CG 4.48Å; T28-F30 HydrophobicContact CG2-CZ 4.42Å; T28-R33 HydrophobicContact CG2-CB 4.44Å | ||
| 29 | D | 97.8 | Very high | 97.7 | Very high | 57 Ų | 57 | 93.2 Ų | 93.2 | 31% | 0.305 | 42% | 0.418 | S | S | . | . | trans | -87.4 | 114.5 | 158.9 | 177.6 | 19.2 | 0 | 0 | 0 | 109.4 | Y31 A32 R33 L150 | D29-Y31 VanDerWaalsContact C-N 3.28Å; D29-Y31 VanDerWaalsContact OD1-CB 3.3Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.37Å; D29-Y31 PolarHBondContact OD1-N 2.86Å; D29-A32 HydrophobicContact CB-CB 4.34Å; D29-A32 WeakPolarHBondContact OD2-CB 3.28Å; D29-A32 PolarHBondContact OD2-N 3.4Å; D29-R33 VanDerWaalsContact O-CB 3.32Å; D29-R33 WeakPolarHBondContact O-CB 3.46Å; D29-R33 PolarHBondContact O-N 3.44Å; D29-R33 VanDerWaalsContact O-N 3.12Å; D29-L150 HydrophobicContact CB-CD2 3.71Å | ||
| 30 | F | 97.9 | Very high | 97.7 | Very high | 72 Ų | 72 | 90.9 Ų | 90.9 | 32% | 0.316 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -74.9 | -20.5 | 178.5 | -77.6 | -87.6 | 0 | 0 | 0 | 112.5 | F20 R22 R23 T28 K34 | F20-F30 HydrophobicContact CB-CD2 4.47Å; F20-F30 HydrophobicContact CB-CE2 3.75Å; F20-F30 HydrophobicContact CB-CZ 3.93Å; F20-F30 AromaticContact CD2-CD1 3.95Å; F20-F30 HydrophobicContact CD2-CD1 3.95Å; F20-F30 AromaticContact CD2-CD2 3.86Å; F20-F30 HydrophobicContact CD2-CD2 3.86Å; F20-F30 AromaticContact CD2-CE1 3.87Å; F20-F30 HydrophobicContact CD2-CE1 3.87Å; F20-F30 AromaticContact CD2-CE2 3.77Å; F20-F30 HydrophobicContact CD2-CE2 3.77Å; F20-F30 AromaticContact CD2-CG 3.94Å; F20-F30 HydrophobicContact CD2-CG 3.94Å; F20-F30 AromaticContact CD2-CZ 3.77Å; F20-F30 HydrophobicContact CD2-CZ 3.77Å; F20-F30 HydrophobicContact CE2-CD1 4.32Å; F20-F30 HydrophobicContact CE2-CE1 4.5Å; F20-F30 HydrophobicContact CE2-CG 4.44Å; F20-F30 HydrophobicContact CG-CE2 4.28Å; F20-F30 HydrophobicContact CG-CZ 4.31Å; R22-F30 HydrophobicContact CB-CE2 4.14Å; R22-F30 HydrophobicContact CB-CZ 4.15Å; R23-F30 HydrophobicContact CB-CD2 4.22Å; R23-F30 HydrophobicContact CB-CE2 4.1Å; T28-F30 HydrophobicContact CG2-CD2 4.26Å; T28-F30 HydrophobicContact CG2-CE2 4.24Å; T28-F30 HydrophobicContact CG2-CG 4.48Å; T28-F30 HydrophobicContact CG2-CZ 4.42Å; F30-K34 WeakPolarHBondContact O-CB 3.32Å; F30-K34 PolarHBondContact O-N 2.86Å |
| 31 | Y | 98.2 | Very high | 97.6 | Very high | 155 Ų | 155 | 92.5 Ų | 92.5 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -70.1 | -49.4 | 177.1 | -175 | -96.3 | 0 | 0 | 0 | 111.4 | D29 R35 | D29-Y31 VanDerWaalsContact C-N 3.28Å; D29-Y31 VanDerWaalsContact OD1-CB 3.3Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.37Å; D29-Y31 PolarHBondContact OD1-N 2.86Å; Y31-R35 VanDerWaalsContact CD2-NH1 3.27Å; Y31-R35 VanDerWaalsContact CE2-NH2 3.32Å; Y31-R35 PolarHBondContact O-NH1 3.27Å; Y31-R35 PolarHBondContact OH-NH2 3.14Å |
| 32 | A | 97.6 | Very high | 97.6 | Very high | 44 Ų | 44 | 90.1 Ų | 90.1 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | D29 K34 R35 L36 | D29-A32 HydrophobicContact CB-CB 4.34Å; D29-A32 WeakPolarHBondContact OD2-CB 3.28Å; D29-A32 PolarHBondContact OD2-N 3.4Å; A32-K34 VanDerWaalsContact C-N 3.32Å; A32-K34 PolarHBondContact O-N 3.15Å; A32-R35 PolarHBondContact O-N 2.88Å; A32-R35 VanDerWaalsContact O-N 3.11Å; A32-L36 PolarHBondContact O-N 2.69Å |
| 33 | R | 97.8 | Very high | 97.5 | Very high | 70 Ų | 70 | 89.2 Ų | 89.2 | 26% | 0.264 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.4 | -40.8 | -178.5 | -176.4 | 175.8 | 171.4 | 92.6 | -1.2 | 112.9 | T28 D29 R35 L36 V37 D72 | T28-R33 HydrophobicContact CG2-CB 4.44Å; D29-R33 VanDerWaalsContact O-CB 3.32Å; D29-R33 WeakPolarHBondContact O-CB 3.46Å; D29-R33 PolarHBondContact O-N 3.44Å; D29-R33 VanDerWaalsContact O-N 3.12Å; R33-R35 VanDerWaalsContact C-N 3.26Å; R33-R35 PolarHBondContact O-N 3.49Å; R33-L36 PolarHBondContact O-N 3.49Å; R33-V37 HydrophobicContact CG-CG2 3.86Å; R33-V37 WeakPolarHBondContact O-CB 3.41Å; R33-V37 WeakPolarHBondContact O-CG2 3.49Å; R33-V37 PolarHBondContact O-N 2.91Å; R33-D72 IonicContact CZ-OD1 3.91Å; R33-D72 IonicContact CZ-OD2 2.86Å; R33-D72 IonicContact NH1-OD1 3.97Å; R33-D72 IonicContact NH1-OD2 3.43Å; R33-D72 PolarHBondContact NH1-OD2 3.08Å; R33-D72 IonicContact NH2-OD1 2.89Å; R33-D72 PolarHBondContact NH2-OD1 3.4Å; R33-D72 IonicContact NH2-OD2 3.8Å; R33-D72 PolarHBondContact NH2-OD2 3.35Å |
| 34 | K | 97.6 | Very high | 97.4 | Very high | 149 Ų | 149 | 92.4 Ų | 92.4 | 65% | 0.648 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -54.6 | -42.7 | 177.5 | -179.1 | -178 | 175.8 | -177.4 | 0 | 111.6 | F30 A32 V38 | F30-K34 WeakPolarHBondContact O-CB 3.32Å; F30-K34 PolarHBondContact O-N 2.86Å; A32-K34 VanDerWaalsContact C-N 3.32Å; A32-K34 PolarHBondContact O-N 3.15Å; K34-V38 HydrophobicContact CG-CG2 4.48Å; K34-V38 VanDerWaalsContact O-CB 3.3Å; K34-V38 WeakPolarHBondContact O-CB 3.26Å; K34-V38 WeakPolarHBondContact O-CG2 3.2Å; K34-V38 PolarHBondContact O-N 2.92Å |
| 35 | R | 97.9 | Very high | 97.3 | Very high | 135 Ų | 135 | 93.1 Ų | 93.1 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -77.8 | -35.2 | -178 | -69 | 171.9 | 175.5 | 74.9 | 1.8 | 112.8 | Y31 A32 R33 K48 | Y31-R35 VanDerWaalsContact CD2-NH1 3.27Å; Y31-R35 VanDerWaalsContact CE2-NH2 3.32Å; Y31-R35 PolarHBondContact O-NH1 3.27Å; Y31-R35 PolarHBondContact OH-NH2 3.14Å; A32-R35 PolarHBondContact O-N 2.88Å; A32-R35 VanDerWaalsContact O-N 3.11Å; R33-R35 VanDerWaalsContact C-N 3.26Å; R33-R35 PolarHBondContact O-N 3.49Å; R35-K48 PolarHBondContact O-NZ 3.18Å |
| 36 | L | 97.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 92.7 Ų | 92.7 | 20% | 0.199 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -74.5 | -35 | -175.9 | -167.3 | 61.3 | 0 | 0 | 0 | 112.8 | A32 R33 K48 D147 | A32-L36 PolarHBondContact O-N 2.69Å; R33-L36 PolarHBondContact O-N 3.49Å; L36-K48 WeakPolarHBondContact O-CD 3.17Å; L36-K48 VanDerWaalsContact O-CE 3.26Å; L36-K48 WeakPolarHBondContact O-CE 3.32Å; L36-D147 HydrophobicContact CD2-CB 3.41Å; L36-D147 VanDerWaalsContact CD2-CB 3.41Å |
| 37 | V | 97.1 | Very high | 97.3 | Very high | 26 Ų | 26 | 92.8 Ų | 92.8 | 16% | 0.158 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -100.1 | -32.6 | -168.7 | 172.7 | 0 | 0 | 0 | 0 | 113.7 | R33 Q39 S67 | R33-V37 HydrophobicContact CG-CG2 3.86Å; R33-V37 WeakPolarHBondContact O-CB 3.41Å; R33-V37 WeakPolarHBondContact O-CG2 3.49Å; R33-V37 PolarHBondContact O-N 2.91Å; V37-Q39 PolarHBondContact O-N 3.15Å; V37-S67 WeakPolarHBondContact CG1-OG 3.31Å |
| 38 | V | 96.9 | Very high | 97.3 | Very high | 79 Ų | 79 | 89.4 Ų | 89.4 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -66 | 129.8 | -177.9 | 174.1 | 0 | 0 | 0 | 0 | 109.3 | K34 K48 | K34-V38 HydrophobicContact CG-CG2 4.48Å; K34-V38 VanDerWaalsContact O-CB 3.3Å; K34-V38 WeakPolarHBondContact O-CB 3.26Å; K34-V38 WeakPolarHBondContact O-CG2 3.2Å; K34-V38 PolarHBondContact O-N 2.92Å; V38-K48 WeakPolarHBondContact O-CD 3.45Å; V38-K48 PolarHBondContact O-NZ 3Å; V38-K48 VanDerWaalsContact O-NZ 3.1Å |
| 39 | Q | 97.4 | Very high | 97.4 | Very high | 38 Ų | 38 | 91.1 Ų | 91.1 | 18% | 0.178 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -94.2 | 150.5 | 176 | -175.8 | 64.6 | -72.3 | 0 | 0 | 110.5 | V37 K43 T46 K48 | V37-Q39 PolarHBondContact O-N 3.15Å; Q39-K43 HydrophobicContact CG-CB 4.07Å; Q39-K43 HydrophobicContact CG-CD 4.49Å; Q39-T46 WeakPolarHBondContact CG-O 3.39Å; Q39-T46 PolarHBondContact NE2-O 3.25Å; Q39-K48 HydrophobicContact CB-CB 4.46Å |
| 40 | D | 97.6 | Very high | 97.4 | Very high | 82 Ų | 82 | 88.5 Ų | 88.5 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 134.8 | 172.4 | -52.8 | -38.1 | 0 | 0 | 0 | 110.3 | N42 K43 | D40-N42 VanDerWaalsContact C-N 3.26Å; D40-N42 VanDerWaalsContact CB-OD1 3.23Å; D40-N42 WeakPolarHBondContact CB-OD1 3.09Å; D40-N42 PolarHBondContact O-N 3.15Å; D40-K43 HydrophobicContact CB-CD 4.15Å; D40-K43 HydrophobicContact CB-CG 4.34Å; D40-K43 PolarHBondContact O-N 3.11Å; D40-K43 WeakPolarHBondContact OD2-CE 3.47Å; D40-K43 IonicContact OD2-NZ 2.95Å; D40-K43 PolarHBondContact OD2-NZ 3.23Å |
| 41 | K | 96.6 | Very high | 97.4 | Very high | 177 Ų | 177 | 85.1 Ų | 85.1 | 77% | 0.77 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -68.1 | -26.3 | -170.7 | -63.3 | -57.4 | -172.5 | 178.5 | 0 | 113.7 | K43 Y44 | K41-K43 PolarHBondContact O-N 3.24Å; K41-Y44 PolarHBondContact O-N 2.88Å |
| 42 | N | 97.6 | Very high | 97.5 | Very high | 121 Ų | 121 | 78.5 Ų | 78.5 | 65% | 0.647 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -72.3 | -10.2 | 174.9 | 62.9 | -11.2 | 0 | 0 | 0 | 113.8 | D40 Y44 | D40-N42 VanDerWaalsContact C-N 3.26Å; D40-N42 VanDerWaalsContact CB-OD1 3.23Å; D40-N42 WeakPolarHBondContact CB-OD1 3.09Å; D40-N42 PolarHBondContact O-N 3.15Å; N42-Y44 VanDerWaalsContact O-CD2 3.29Å; N42-Y44 WeakPolarHBondContact O-CD2 3.2Å; N42-Y44 WeakPolarHBondContact O-CE2 3.47Å |
| 43 | K | 96.2 | Very high | 97.5 | Very high | 91 Ų | 91 | 76.4 Ų | 76.4 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -93.5 | -1.6 | 175.3 | -63.7 | 175.7 | 179.4 | 156.5 | 0 | 113 | Q39 D40 K41 N45 T46 | Q39-K43 HydrophobicContact CG-CB 4.07Å; Q39-K43 HydrophobicContact CG-CD 4.49Å; D40-K43 HydrophobicContact CB-CD 4.15Å; D40-K43 HydrophobicContact CB-CG 4.34Å; D40-K43 PolarHBondContact O-N 3.11Å; D40-K43 WeakPolarHBondContact OD2-CE 3.47Å; D40-K43 IonicContact OD2-NZ 2.95Å; D40-K43 PolarHBondContact OD2-NZ 3.23Å; K41-K43 PolarHBondContact O-N 3.24Å; K43-N45 PolarHBondContact O-N 3.27Å; K43-T46 WeakPolarHBondContact O-CB 3.39Å; K43-T46 PolarHBondContact O-N 3.46Å; K43-T46 PolarHBondContact O-OG1 2.87Å; K43-T46 VanDerWaalsContact O-OG1 3.11Å |
| 44 | Y | 95.3 | Very high | 97.5 | Very high | 199 Ų | 199 | 77 Ų | 77 | 78% | 0.78 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | -106 | 175.8 | -57.6 | -84 | 0 | 0 | 0 | 113.5 | K41 N42 | K41-Y44 PolarHBondContact O-N 2.88Å; N42-Y44 VanDerWaalsContact O-CD2 3.29Å; N42-Y44 WeakPolarHBondContact O-CD2 3.2Å; N42-Y44 WeakPolarHBondContact O-CE2 3.47Å |
| 45 | N | 95.9 | Very high | 97.6 | Very high | 162 Ų | 162 | 72.8 Ų | 72.8 | 87% | 0.866 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -1 | -174.1 | -74.1 | -29.6 | 0 | 0 | 0 | 114.2 | K43 P47 | K43-N45 PolarHBondContact O-N 3.27Å; N45-P47 VanDerWaalsContact O-CD 3.31Å; N45-P47 WeakPolarHBondContact O-CD 3.4Å |
| 46 | T | 97.4 | Very high | 97.5 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | trans | -63.8 | 118.4 | -179.5 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | Q39 K43 | Q39-T46 WeakPolarHBondContact CG-O 3.39Å; Q39-T46 PolarHBondContact NE2-O 3.25Å; K43-T46 WeakPolarHBondContact O-CB 3.39Å; K43-T46 PolarHBondContact O-N 3.46Å; K43-T46 PolarHBondContact O-OG1 2.87Å; K43-T46 VanDerWaalsContact O-OG1 3.11Å | ||
| 47 | P | 97.6 | Very high | 97.5 | Very high | 42 Ų | 42 | 75.3 Ų | 75.3 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | trans | -69 | 139.6 | -178 | 27.1 | -33.6 | 0 | 0 | 0 | 111.5 | N45 Y49 Y66 | N45-P47 VanDerWaalsContact O-CD 3.31Å; N45-P47 WeakPolarHBondContact O-CD 3.4Å; P47-Y49 HydrophobicContact CB-CE1 4.14Å; P47-Y49 HydrophobicContact CB-CE2 4.22Å; P47-Y49 HydrophobicContact CG-CE1 4.1Å; P47-Y49 HydrophobicContact CG-CE2 3.63Å; P47-Y49 VanDerWaalsContact CG-OH 3.22Å; P47-Y49 WeakPolarHBondContact CG-OH 3.34Å; P47-Y66 HydrophobicContact CB-CD1 4.26Å; P47-Y66 HydrophobicContact CB-CD2 3.68Å; P47-Y66 HydrophobicContact CB-CE2 4.3Å; P47-Y66 HydrophobicContact CB-CG 3.65Å | ||
| 48 | K | 98.2 | Very high | 97.5 | Very high | 44 Ų | 44 | 83.9 Ų | 83.9 | 19% | 0.191 | 41% | 0.407 | C | S | . | . | trans | -95.5 | 103.3 | 169.3 | -168.5 | 168.4 | 177.7 | 174.5 | 0 | 109.2 | R35 L36 V38 Q39 Y145 | R35-K48 PolarHBondContact O-NZ 3.18Å; L36-K48 WeakPolarHBondContact O-CD 3.17Å; L36-K48 VanDerWaalsContact O-CE 3.26Å; L36-K48 WeakPolarHBondContact O-CE 3.32Å; V38-K48 WeakPolarHBondContact O-CD 3.45Å; V38-K48 PolarHBondContact O-NZ 3Å; V38-K48 VanDerWaalsContact O-NZ 3.1Å; Q39-K48 HydrophobicContact CB-CB 4.46Å; K48-Y145 HydrophobicContact CD-CE2 4.45Å; K48-Y145 HydrophobicContact CG-CD2 4.03Å; K48-Y145 HydrophobicContact CG-CE2 3.87Å | ||
| 49 | Y | 98.6 | Very high | 97.6 | Very high | 52 Ų | 52 | 81.9 Ų | 81.9 | 20% | 0.204 | 39% | 0.393 | C | S | . | . | trans | -79.9 | 142.1 | -176.6 | -62.4 | -73.6 | 0 | 0 | 0 | 112.3 | P47 I64 A65 Y66 V75 F142 C144 Y145 | P47-Y49 HydrophobicContact CB-CE1 4.14Å; P47-Y49 HydrophobicContact CB-CE2 4.22Å; P47-Y49 HydrophobicContact CG-CE1 4.1Å; P47-Y49 HydrophobicContact CG-CE2 3.63Å; P47-Y49 VanDerWaalsContact CG-OH 3.22Å; P47-Y49 WeakPolarHBondContact CG-OH 3.34Å; Y49-I64 HydrophobicContact CD1-CG2 4.12Å; Y49-A65 CarbonylContact C-O 3.42Å; Y49-A65 WeakPolarHBondContact CA-O 3.39Å; Y49-Y66 AromaticContact CD1-CD1 3.96Å; Y49-Y66 HydrophobicContact CD1-CD1 3.96Å; Y49-Y66 HydrophobicContact CD1-CG 4.37Å; Y49-Y66 AromaticContact CE1-CD1 3.54Å; Y49-Y66 HydrophobicContact CE1-CD1 3.54Å; Y49-Y66 HydrophobicContact CE1-CE1 4.22Å; Y49-Y66 HydrophobicContact CE1-CG 4.17Å; Y49-V75 HydrophobicContact CD1-CG2 4.28Å; Y49-V75 HydrophobicContact CE1-CG2 3.89Å; Y49-F142 HydrophobicContact CD1-CE2 4.49Å; Y49-F142 AromaticContact CD1-CZ 3.69Å; Y49-F142 HydrophobicContact CD1-CZ 3.69Å; Y49-F142 HydrophobicContact CD2-CE1 4.14Å; Y49-F142 AromaticContact CD2-CE2 3.89Å; Y49-F142 HydrophobicContact CD2-CE2 3.89Å; Y49-F142 AromaticContact CD2-CZ 3.45Å; Y49-F142 HydrophobicContact CD2-CZ 3.45Å; Y49-F142 VanDerWaalsContact CD2-CZ 3.45Å; Y49-F142 HydrophobicContact CE1-CE2 4.39Å; Y49-F142 AromaticContact CE1-CZ 3.99Å; Y49-F142 HydrophobicContact CE1-CZ 3.99Å; Y49-F142 AromaticContact CE2-CE2 3.77Å; Y49-F142 HydrophobicContact CE2-CE2 3.77Å; Y49-F142 AromaticContact CE2-CZ 3.77Å; Y49-F142 HydrophobicContact CE2-CZ 3.77Å; Y49-F142 AromaticContact CG-CE1 3.98Å; Y49-F142 HydrophobicContact CG-CE1 3.98Å; Y49-F142 HydrophobicContact CG-CE2 4.25Å; Y49-F142 AromaticContact CG-CZ 3.4Å; Y49-F142 HydrophobicContact CG-CZ 3.4Å; Y49-C144 WeakPolarHBondContact O-CA 3.45Å; Y49-Y145 WeakPolarHBondContact O-CD2 3.46Å; Y49-Y145 PolarHBondContact O-N 3.47Å | ||
| 50 | R | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.9 | 174.3 | 55.9 | 177.1 | 179.1 | -75.4 | -8 | 111.8 | I52 I64 A65 S67 D72 Y145 D147 | R50-I52 HydrophobicContact CG-CD1 4.48Å; R50-I52 HydrophobicContact CG-CG1 4.02Å; R50-I64 WeakPolarHBondContact O-CA 3.4Å; R50-A65 HydrophobicContact CG-CB 4.4Å; R50-A65 VanDerWaalsContact CG-O 3.29Å; R50-A65 WeakPolarHBondContact CG-O 3.42Å; R50-A65 PolarHBondContact N-O 3.03Å; R50-A65 PolarHBondContact O-N 3.45Å; R50-S67 PolarHBondContact NH1-OG 3.06Å; R50-S67 PolarHBondContact NH2-OG 3.39Å; R50-D72 IonicContact CZ-OD1 3.37Å; R50-D72 IonicContact CZ-OD2 3.57Å; R50-D72 IonicContact NH2-OD1 2.73Å; R50-D72 PolarHBondContact NH2-OD1 3.01Å; R50-D72 IonicContact NH2-OD2 2.95Å; R50-D72 PolarHBondContact NH2-OD2 2.8Å; R50-Y145 CarbonylContact C-O 3.57Å; R50-Y145 WeakPolarHBondContact CA-O 3.4Å; R50-Y145 WeakPolarHBondContact CB-O 3.34Å; R50-D147 HydrophobicContact CB-CB 4.41Å |
| 51 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 99.3 | 167.8 | 175 | 60 | 0 | 0 | 0 | 109 | V53 Q63 I64 L105 Y145 L146 D147 A166 I173 | L51-V53 HydrophobicContact CD1-CG2 4.29Å; L51-V53 HydrophobicContact CD2-CG2 4.27Å; L51-V53 HydrophobicContact CG-CG2 3.88Å; L51-V53 PolarHBondContact O-N 2.99Å; L51-Q63 CarbonylContact C-O 3.56Å; L51-Q63 WeakPolarHBondContact CA-O 3.42Å; L51-I64 HydrophobicContact CB-CD1 3.99Å; L51-I64 HydrophobicContact CD1-CD1 3.95Å; L51-L105 HydrophobicContact CD1-CD2 3.27Å; L51-Y145 PolarHBondContact N-O 3.48Å; L51-L146 HydrophobicContact CD2-CD1 4.32Å; L51-L146 HydrophobicContact CG-CD1 4.39Å; L51-D147 PolarHBondContact O-N 2.95Å; L51-A166 HydrophobicContact CD2-CB 3.79Å; L51-I173 HydrophobicContact CD2-CD1 3.59Å |
| 52 | I | 98.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 68.9 Ų | 68.9 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 113.7 | 175.6 | -54.2 | 174.6 | 0 | 0 | 0 | 108.4 | R50 R54 C62 Q63 A65 D147 | R50-I52 HydrophobicContact CG-CD1 4.48Å; R50-I52 HydrophobicContact CG-CG1 4.02Å; I52-R54 HydrophobicContact CG2-CG 4.03Å; I52-C62 CarbonylContact O-C 3.57Å; I52-C62 WeakPolarHBondContact O-CA 3.48Å; I52-Q63 HydrophobicContact CB-CB 4.36Å; I52-Q63 PolarHBondContact N-O 3.4Å; I52-Q63 PolarHBondContact O-N 3.25Å; I52-A65 HydrophobicContact CD1-CB 3.66Å; I52-A65 HydrophobicContact CG1-CB 4.42Å; I52-D147 HydrophobicContact CG1-CB 4.16Å |
| 53 | V | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123 | 174.3 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | L51 L146 D147 V159 A162 | L51-V53 HydrophobicContact CD1-CG2 4.29Å; L51-V53 HydrophobicContact CD2-CG2 4.27Å; L51-V53 HydrophobicContact CG-CG2 3.88Å; L51-V53 PolarHBondContact O-N 2.99Å; V53-L146 HydrophobicContact CG2-CD1 3.81Å; V53-D147 PolarHBondContact N-O 3.3Å; V53-V159 HydrophobicContact CB-CG1 4.12Å; V53-V159 HydrophobicContact CG1-CB 4.42Å; V53-V159 HydrophobicContact CG1-CG1 4.28Å; V53-V159 HydrophobicContact CG1-CG2 4.24Å; V53-A162 HydrophobicContact CG1-CB 3.84Å; V53-A162 HydrophobicContact CG2-CB 4.03Å |
| 54 | R | 98.5 | Very high | 98 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 121.4 | 177.7 | -61.9 | -65.2 | 177.7 | -96.3 | 1.2 | 109.7 | I52 C61 D147 A148 | I52-R54 HydrophobicContact CG2-CG 4.03Å; R54-C61 HydrophobicContact CB-CB 4.46Å; R54-C61 PolarHBondContact N-O 2.77Å; R54-C61 PolarHBondContact O-N 2.66Å; R54-D147 IonicContact CZ-OD1 3.12Å; R54-D147 PolarHBondContact NH1-O 3.06Å; R54-D147 IonicContact NH1-OD1 4Å; R54-D147 PolarHBondContact NH1-OD1 3.03Å; R54-D147 VanDerWaalsContact NH2-CG 3.31Å; R54-D147 IonicContact NH2-OD1 3.44Å; R54-D147 PolarHBondContact NH2-OD1 3.47Å; R54-D147 IonicContact NH2-OD2 2.77Å; R54-D147 PolarHBondContact NH2-OD2 2.82Å; R54-A148 VanDerWaalsContact NH1-C 3.34Å |
| 55 | L | 97.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 32% | 0.319 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124 | 175.3 | -54.4 | 173.4 | 0 | 0 | 0 | 108.4 | I60 K158 V159 | L55-I60 HydrophobicContact CD2-CB 4.32Å; L55-I60 HydrophobicContact CD2-CD1 4.01Å; L55-I60 HydrophobicContact CD2-CG1 3.76Å; L55-I60 HydrophobicContact CD2-CG2 3.91Å; L55-K158 HydrophobicContact CD1-CB 3.78Å; L55-K158 HydrophobicContact CD2-CB 4.31Å; L55-V159 HydrophobicContact CD1-CG2 3.89Å; L55-V159 HydrophobicContact CG-CG2 4.25Å |
| 56 | S | 97.4 | Very high | 98.2 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 47% | 0.469 | 23% | 0.225 | S | C | . | . | trans | -108 | 176.2 | 167.7 | 77.5 | 0 | 0 | 0 | 0 | 109.7 | R58 D59 | S56-R58 PolarHBondContact O-N 3.29Å; S56-D59 WeakPolarHBondContact CB-O 3.11Å; S56-D59 PolarHBondContact N-O 3.39Å; S56-D59 WeakPolarHBondContact OG-CA 3.33Å; S56-D59 WeakPolarHBondContact OG-CB 3.45Å; S56-D59 PolarHBondContact OG-N 3.25Å; S56-D59 PolarHBondContact OG-O 2.96Å | ||
| 57 | N | 97.3 | Very high | 98.3 | Very high | 160 Ų | 160 | 43.8 Ų | 43.8 | 86% | 0.856 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -63 | -25.7 | -177.4 | -66.6 | -2.1 | 0 | 0 | 0 | 113.8 | ||
| 58 | R | 97.1 | Very high | 98.2 | Very high | 206 Ų | 206 | 46.7 Ų | 46.7 | 78% | 0.777 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -136.6 | 4.6 | -173.2 | -65.9 | -174.5 | 179.7 | 170 | 0.5 | 114.3 | S56 | S56-R58 PolarHBondContact O-N 3.29Š|
| 59 | D | 98.4 | Very high | 98.2 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | trans | -152.6 | 149 | -177.2 | -161.7 | 21.2 | 0 | 0 | 0 | 110.5 | S56 S80 H81 T93 | S56-D59 WeakPolarHBondContact CB-O 3.11Å; S56-D59 PolarHBondContact N-O 3.39Å; S56-D59 WeakPolarHBondContact OG-CA 3.33Å; S56-D59 WeakPolarHBondContact OG-CB 3.45Å; S56-D59 PolarHBondContact OG-N 3.25Å; S56-D59 PolarHBondContact OG-O 2.96Å; D59-S80 WeakPolarHBondContact CA-OG 3.09Å; D59-S80 PolarHBondContact OD1-N 3.11Å; D59-S80 PolarHBondContact OD1-OG 2.94Å; D59-H81 IonicContact OD1-CG 3.29Å; D59-H81 PolarHBondContact OD1-N 3.43Å; D59-H81 VanDerWaalsContact OD1-N 3.08Å; D59-H81 IonicContact OD1-ND1 3.58Å; D59-H81 PolarHBondContact OD1-ND1 3.29Å; D59-H81 IonicContact OD2-CE1 3.54Å; D59-H81 IonicContact OD2-CG 2.85Å; D59-H81 IonicContact OD2-ND1 2.69Å; D59-H81 PolarHBondContact OD2-ND1 3.27Å; D59-T93 VanDerWaalsContact N-CG2 3.33Å | ||
| 60 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.5 | 173 | -59.7 | -179.6 | 0 | 0 | 0 | 107.2 | L55 Y79 S80 A97 A98 T101 | L55-I60 HydrophobicContact CD2-CB 4.32Å; L55-I60 HydrophobicContact CD2-CD1 4.01Å; L55-I60 HydrophobicContact CD2-CG1 3.76Å; L55-I60 HydrophobicContact CD2-CG2 3.91Å; I60-Y79 CarbonylContact O-C 3.59Å; I60-Y79 VanDerWaalsContact O-CA 3.27Å; I60-Y79 WeakPolarHBondContact O-CA 3.37Å; I60-S80 PolarHBondContact N-OG 3.33Å; I60-S80 PolarHBondContact O-N 3.44Å; I60-A97 HydrophobicContact CD1-CB 4.45Å; I60-A98 HydrophobicContact CD1-CB 3.65Å; I60-T101 HydrophobicContact CB-CG2 4.26Å; I60-T101 HydrophobicContact CG2-CG2 4.28Å; I60-T101 WeakPolarHBondContact CG2-OG1 2.97Å |
| 61 | C | 98.5 | Very high | 98 | Very high | 25 Ų | 25 | 59.9 Ų | 59.9 | 17% | 0.169 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.4 | 178.7 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | R54 Y79 | R54-C61 HydrophobicContact CB-CB 4.46Å; R54-C61 PolarHBondContact N-O 2.77Å; R54-C61 PolarHBondContact O-N 2.66Å; C61-Y79 HydrophobicContact CB-CD1 4Å; C61-Y79 HydrophobicContact CB-CE1 3.98Å; C61-Y79 WeakPolarHBondContact SG-CE1 3.3Å |
| 62 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.5 | 176.7 | -65.8 | 0 | 0 | 0 | 0 | 108.6 | I52 A77 A78 L105 | I52-C62 CarbonylContact O-C 3.57Å; I52-C62 WeakPolarHBondContact O-CA 3.48Å; C62-A77 CarbonylContact O-C 3.02Å; C62-A77 WeakPolarHBondContact O-CA 3.5Å; C62-A78 PolarHBondContact N-O 3.07Å; C62-A78 PolarHBondContact O-N 3.15Å; C62-L105 HydrophobicContact CB-CB 4.44Å; C62-L105 HydrophobicContact CB-CD2 3.66Å |
| 63 | Q | 98.7 | Very high | 98 | Very high | 39 Ų | 39 | 64.3 Ų | 64.3 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.4 | -177.9 | -58.6 | -177.9 | -35.5 | 0 | 0 | 111.3 | L51 I52 I74 S76 A77 Y79 | L51-Q63 CarbonylContact C-O 3.56Å; L51-Q63 WeakPolarHBondContact CA-O 3.42Å; I52-Q63 HydrophobicContact CB-CB 4.36Å; I52-Q63 PolarHBondContact N-O 3.4Å; I52-Q63 PolarHBondContact O-N 3.25Å; Q63-I74 HydrophobicContact CB-CD1 4.44Å; Q63-I74 HydrophobicContact CB-CG2 4.33Å; Q63-S76 WeakPolarHBondContact CA-O 3.48Å; Q63-A77 HydrophobicContact CG-CB 3.94Å; Q63-Y79 PolarHBondContact NE2-OH 2.94Å |
| 64 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.1 | 165.2 | -62.7 | -66 | 0 | 0 | 0 | 108.3 | Y49 R50 L51 V75 S76 L105 L109 F142 C144 L171 | Y49-I64 HydrophobicContact CD1-CG2 4.12Å; R50-I64 WeakPolarHBondContact O-CA 3.4Å; L51-I64 HydrophobicContact CB-CD1 3.99Å; L51-I64 HydrophobicContact CD1-CD1 3.95Å; I64-V75 HydrophobicContact CB-CB 4.46Å; I64-V75 HydrophobicContact CG2-CB 4.17Å; I64-V75 HydrophobicContact CG2-CG2 4.3Å; I64-V75 PolarHBondContact O-N 2.79Å; I64-S76 PolarHBondContact N-O 2.77Å; I64-L105 HydrophobicContact CD1-CD2 4.32Å; I64-L105 HydrophobicContact CG1-CD1 4.26Å; I64-L105 HydrophobicContact CG1-CD2 4.01Å; I64-L105 HydrophobicContact CG1-CG 4.12Å; I64-L109 HydrophobicContact CB-CD1 4.34Å; I64-L109 HydrophobicContact CG1-CD1 4.41Å; I64-L109 HydrophobicContact CG1-CD2 4.06Å; I64-L109 HydrophobicContact CG2-CD1 4.31Å; I64-L109 HydrophobicContact CG2-CD2 4.47Å; I64-F142 HydrophobicContact CG2-CE1 3.98Å; I64-F142 HydrophobicContact CG2-CZ 3.95Å; I64-C144 HydrophobicContact CD1-CB 4.41Å; I64-L171 HydrophobicContact CD1-CD1 4.21Å |
| 65 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y49 R50 I52 H73 I74 | Y49-A65 CarbonylContact C-O 3.42Å; Y49-A65 WeakPolarHBondContact CA-O 3.39Å; R50-A65 HydrophobicContact CG-CB 4.4Å; R50-A65 VanDerWaalsContact CG-O 3.29Å; R50-A65 WeakPolarHBondContact CG-O 3.42Å; R50-A65 PolarHBondContact N-O 3.03Å; R50-A65 PolarHBondContact O-N 3.45Å; I52-A65 HydrophobicContact CD1-CB 3.66Å; I52-A65 HydrophobicContact CG1-CB 4.42Å; A65-H73 VanDerWaalsContact CA-O 3.26Å; A65-H73 WeakPolarHBondContact CA-O 3.48Å; A65-I74 HydrophobicContact CB-CD1 3.64Å |
| 66 | Y | 98.4 | Very high | 97.9 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 165.3 | 162 | 67.1 | -84.3 | 0 | 0 | 0 | 108.7 | P47 Y49 K68 D72 H73 V75 | P47-Y66 HydrophobicContact CB-CD1 4.26Å; P47-Y66 HydrophobicContact CB-CD2 3.68Å; P47-Y66 HydrophobicContact CB-CE2 4.3Å; P47-Y66 HydrophobicContact CB-CG 3.65Å; Y49-Y66 AromaticContact CD1-CD1 3.96Å; Y49-Y66 HydrophobicContact CD1-CD1 3.96Å; Y49-Y66 HydrophobicContact CD1-CG 4.37Å; Y49-Y66 AromaticContact CE1-CD1 3.54Å; Y49-Y66 HydrophobicContact CE1-CD1 3.54Å; Y49-Y66 HydrophobicContact CE1-CE1 4.22Å; Y49-Y66 HydrophobicContact CE1-CG 4.17Å; Y66-K68 HydrophobicContact CD2-CG 4.36Å; Y66-K68 HydrophobicContact CE2-CD 4.29Å; Y66-K68 HydrophobicContact CE2-CG 3.83Å; Y66-K68 VanDerWaalsContact OH-CE 3.27Å; Y66-K68 WeakPolarHBondContact OH-CE 3.32Å; Y66-D72 WeakPolarHBondContact O-CA 3.39Å; Y66-H73 HydrophobicContact CD1-CB 4.3Å; Y66-H73 HydrophobicContact CE1-CB 3.77Å; Y66-H73 HydrophobicContact CE2-CB 4.19Å; Y66-H73 PolarHBondContact N-O 3.13Å; Y66-H73 VanDerWaalsContact N-O 3.14Å; Y66-H73 PolarHBondContact O-N 3.27Å; Y66-V75 HydrophobicContact CD1-CG2 3.83Å; Y66-V75 HydrophobicContact CE1-CG2 3.89Å |
| 67 | S | 97.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 139.4 | -175.2 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | V37 R50 D72 | V37-S67 WeakPolarHBondContact CG1-OG 3.31Å; R50-S67 PolarHBondContact NH1-OG 3.06Å; R50-S67 PolarHBondContact NH2-OG 3.39Å; S67-D72 WeakPolarHBondContact CB-OD1 3.12Å; S67-D72 PolarHBondContact OG-OD1 2.98Å |
| 68 | K | 97.1 | Very high | 98 | Very high | 103 Ų | 103 | 52.9 Ų | 52.9 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | trans | -120.2 | 176.6 | 164.1 | -64.5 | -162.7 | -155.6 | 168.2 | 0 | 109.9 | Y66 E70 G71 H73 | Y66-K68 HydrophobicContact CD2-CG 4.36Å; Y66-K68 HydrophobicContact CE2-CD 4.29Å; Y66-K68 HydrophobicContact CE2-CG 3.83Å; Y66-K68 VanDerWaalsContact OH-CE 3.27Å; Y66-K68 WeakPolarHBondContact OH-CE 3.32Å; K68-E70 HydrophobicContact CB-CG 4.32Å; K68-G71 CarbonylContact C-O 3.57Å; K68-G71 WeakPolarHBondContact CA-O 3.2Å; K68-G71 PolarHBondContact N-O 3.08Å; K68-G71 PolarHBondContact O-N 3.2Å; K68-H73 VanDerWaalsContact CD-CD2 3.48Å; K68-H73 WeakPolarHBondContact CD-CD2 3.35Å; K68-H73 WeakPolarHBondContact CD-NE2 3.26Å; K68-H73 VanDerWaalsContact CE-CD2 3.48Å; K68-H73 WeakPolarHBondContact CE-CD2 3.47Å; K68-H73 WeakPolarHBondContact CE-NE2 3.43Å; K68-H73 WeakPolarHBondContact CG-CD2 3.23Å | ||
| 69 | I | 96.6 | Very high | 98.1 | Very high | 186 Ų | 186 | 46.1 Ų | 46.1 | 95% | 0.954 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -64 | -41.5 | 179.9 | -61.3 | 174 | 0 | 0 | 0 | 111.1 | G71 | I69-G71 VanDerWaalsContact C-N 3.31Å; I69-G71 PolarHBondContact O-N 3.18Å |
| 70 | E | 97.3 | Very high | 98.1 | Very high | 156 Ų | 156 | 44.4 Ų | 44.4 | 73% | 0.729 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -70.4 | -26.2 | 179.1 | 62.1 | -176 | 161.3 | 0 | 0 | 113.5 | K68 H73 | K68-E70 HydrophobicContact CB-CG 4.32Å; E70-H73 IonicContact OE1-CE1 3.91Å; E70-H73 PolarHBondContact OE1-CE1 3.27Å; E70-H73 IonicContact OE1-NE2 4Å; E70-H73 PolarHBondContact OE1-NE2 3.4Å |
| 71 | G | 96.5 | Very high | 98 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | trans | 157.8 | -175.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | K68 I69 | K68-G71 CarbonylContact C-O 3.57Å; K68-G71 WeakPolarHBondContact CA-O 3.2Å; K68-G71 PolarHBondContact N-O 3.08Å; K68-G71 PolarHBondContact O-N 3.2Å; I69-G71 VanDerWaalsContact C-N 3.31Å; I69-G71 PolarHBondContact O-N 3.18Å | ||
| 72 | D | 98.1 | Very high | 97.9 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.9 | 176.3 | -66.4 | -20.5 | 0 | 0 | 0 | 110.1 | R33 R50 Y66 S67 | R33-D72 IonicContact CZ-OD1 3.91Å; R33-D72 IonicContact CZ-OD2 2.86Å; R33-D72 IonicContact NH1-OD1 3.97Å; R33-D72 IonicContact NH1-OD2 3.43Å; R33-D72 PolarHBondContact NH1-OD2 3.08Å; R33-D72 IonicContact NH2-OD1 2.89Å; R33-D72 PolarHBondContact NH2-OD1 3.4Å; R33-D72 IonicContact NH2-OD2 3.8Å; R33-D72 PolarHBondContact NH2-OD2 3.35Å; R50-D72 IonicContact CZ-OD1 3.37Å; R50-D72 IonicContact CZ-OD2 3.57Å; R50-D72 IonicContact NH2-OD1 2.73Å; R50-D72 PolarHBondContact NH2-OD1 3.01Å; R50-D72 IonicContact NH2-OD2 2.95Å; R50-D72 PolarHBondContact NH2-OD2 2.8Å; Y66-D72 WeakPolarHBondContact O-CA 3.39Å; S67-D72 WeakPolarHBondContact CB-OD1 3.12Å; S67-D72 PolarHBondContact OG-OD1 2.98Å |
| 73 | H | 98.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 48.7 Ų | 48.7 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.3 | 172.9 | -71.5 | -100.1 | 0 | 0 | 0 | 109.3 | A65 Y66 K68 E70 | A65-H73 VanDerWaalsContact CA-O 3.26Å; A65-H73 WeakPolarHBondContact CA-O 3.48Å; Y66-H73 HydrophobicContact CD1-CB 4.3Å; Y66-H73 HydrophobicContact CE1-CB 3.77Å; Y66-H73 HydrophobicContact CE2-CB 4.19Å; Y66-H73 PolarHBondContact N-O 3.13Å; Y66-H73 VanDerWaalsContact N-O 3.14Å; Y66-H73 PolarHBondContact O-N 3.27Å; K68-H73 VanDerWaalsContact CD-CD2 3.48Å; K68-H73 WeakPolarHBondContact CD-CD2 3.35Å; K68-H73 WeakPolarHBondContact CD-NE2 3.26Å; K68-H73 VanDerWaalsContact CE-CD2 3.48Å; K68-H73 WeakPolarHBondContact CE-CD2 3.47Å; K68-H73 WeakPolarHBondContact CE-NE2 3.43Å; K68-H73 WeakPolarHBondContact CG-CD2 3.23Å; E70-H73 IonicContact OE1-CE1 3.91Å; E70-H73 PolarHBondContact OE1-CE1 3.27Å; E70-H73 IonicContact OE1-NE2 4Å; E70-H73 PolarHBondContact OE1-NE2 3.4Å |
| 74 | I | 98.4 | Very high | 97.7 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 40% | 0.4 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122.5 | 174.3 | -52.6 | -55.4 | 0 | 0 | 0 | 108.7 | Q63 A65 S76 A77 | Q63-I74 HydrophobicContact CB-CD1 4.44Å; Q63-I74 HydrophobicContact CB-CG2 4.33Å; A65-I74 HydrophobicContact CB-CD1 3.64Å; I74-S76 WeakPolarHBondContact CG2-O 3.35Å; I74-A77 HydrophobicContact CG2-CB 4.32Å |
| 75 | V | 97.8 | Very high | 97.6 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -46.8 | 179.2 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | Y49 I64 Y66 L109 K112 F113 | Y49-V75 HydrophobicContact CD1-CG2 4.28Å; Y49-V75 HydrophobicContact CE1-CG2 3.89Å; I64-V75 HydrophobicContact CB-CB 4.46Å; I64-V75 HydrophobicContact CG2-CB 4.17Å; I64-V75 HydrophobicContact CG2-CG2 4.3Å; I64-V75 PolarHBondContact O-N 2.79Å; Y66-V75 HydrophobicContact CD1-CG2 3.83Å; Y66-V75 HydrophobicContact CE1-CG2 3.89Å; V75-L109 HydrophobicContact CB-CD1 4.25Å; V75-L109 HydrophobicContact CG1-CD1 3.58Å; V75-K112 PolarHBondContact O-NZ 3.14Å; V75-F113 HydrophobicContact CG1-CE2 4.07Å; V75-F113 HydrophobicContact CG1-CZ 3.62Å |
| 76 | S | 97.8 | Very high | 97.5 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 153.1 | 178.9 | -170 | 0 | 0 | 0 | 0 | 109.3 | Q63 I64 I74 | Q63-S76 WeakPolarHBondContact CA-O 3.48Å; I64-S76 PolarHBondContact N-O 2.77Å; I74-S76 WeakPolarHBondContact CG2-O 3.35Å |
| 77 | A | 98.2 | Very high | 97.4 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | C62 Q63 I74 Y79 R108 | C62-A77 CarbonylContact O-C 3.02Å; C62-A77 WeakPolarHBondContact O-CA 3.5Å; Q63-A77 HydrophobicContact CG-CB 3.94Å; I74-A77 HydrophobicContact CG2-CB 4.32Å; A77-Y79 HydrophobicContact CB-CE2 3.92Å; A77-R108 PolarHBondContact O-NH1 2.98Å |
| 78 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 148 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | C62 L104 L105 | C62-A78 PolarHBondContact N-O 3.07Å; C62-A78 PolarHBondContact O-N 3.15Å; A78-L104 HydrophobicContact CB-CB 4.36Å; A78-L104 HydrophobicContact CB-CD2 4.15Å; A78-L104 HydrophobicContact CB-CG 4.07Å; A78-L105 HydrophobicContact CB-CB 3.81Å; A78-L105 HydrophobicContact CB-CD1 4.36Å |
| 79 | Y | 98.4 | Very high | 97.2 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 26% | 0.255 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.7 | -176.4 | -59.2 | -91.9 | 0 | 0 | 0 | 111.1 | I60 C61 Q63 A77 H81 E82 | I60-Y79 CarbonylContact O-C 3.59Å; I60-Y79 VanDerWaalsContact O-CA 3.27Å; I60-Y79 WeakPolarHBondContact O-CA 3.37Å; C61-Y79 HydrophobicContact CB-CD1 4Å; C61-Y79 HydrophobicContact CB-CE1 3.98Å; C61-Y79 WeakPolarHBondContact SG-CE1 3.3Å; Q63-Y79 PolarHBondContact NE2-OH 2.94Å; A77-Y79 HydrophobicContact CB-CE2 3.92Å; Y79-H81 VanDerWaalsContact C-N 3.29Å; Y79-H81 WeakPolarHBondContact CB-CE1 3.39Å; Y79-H81 VanDerWaalsContact CB-ND1 3.31Å; Y79-H81 WeakPolarHBondContact CB-ND1 3.42Å; Y79-H81 AromaticContact CD1-CE1 3.67Å; Y79-H81 AromaticContact CD2-CE1 3.95Å; Y79-H81 AromaticContact CG-CE1 3.32Å; Y79-H81 AromaticContact CG-ND1 3.92Å; Y79-H81 PolarHBondContact O-N 3.16Å; Y79-E82 WeakPolarHBondContact CD2-OE1 3.46Å; Y79-E82 WeakPolarHBondContact O-CB 3.42Å; Y79-E82 PolarHBondContact O-N 3.27Å; Y79-E82 VanDerWaalsContact O-N 3.13Å |
| 80 | S | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -72.2 | -24.3 | 179.4 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | D59 I60 E82 L83 L92 T101 | D59-S80 WeakPolarHBondContact CA-OG 3.09Å; D59-S80 PolarHBondContact OD1-N 3.11Å; D59-S80 PolarHBondContact OD1-OG 2.94Å; I60-S80 PolarHBondContact N-OG 3.33Å; I60-S80 PolarHBondContact O-N 3.44Å; S80-E82 PolarHBondContact O-N 3.18Å; S80-E82 VanDerWaalsContact O-N 3.15Å; S80-L83 VanDerWaalsContact O-CB 3.26Å; S80-L83 WeakPolarHBondContact O-CB 3.45Å; S80-L83 WeakPolarHBondContact O-CG 3.36Å; S80-L83 PolarHBondContact O-N 3.3Å; S80-L92 WeakPolarHBondContact CB-O 3.24Å; S80-L92 PolarHBondContact OG-O 3.18Å; S80-T101 VanDerWaalsContact CA-CG2 3.48Å |
| 81 | H | 97.3 | Very high | 97 | Very high | 103 Ų | 103 | 38.6 Ų | 38.6 | 48% | 0.477 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -66.3 | -8 | 170.2 | 70.1 | -102.4 | 0 | 0 | 0 | 114.6 | D59 Y79 | D59-H81 IonicContact OD1-CG 3.29Å; D59-H81 PolarHBondContact OD1-N 3.43Å; D59-H81 VanDerWaalsContact OD1-N 3.08Å; D59-H81 IonicContact OD1-ND1 3.58Å; D59-H81 PolarHBondContact OD1-ND1 3.29Å; D59-H81 IonicContact OD2-CE1 3.54Å; D59-H81 IonicContact OD2-CG 2.85Å; D59-H81 IonicContact OD2-ND1 2.69Å; D59-H81 PolarHBondContact OD2-ND1 3.27Å; Y79-H81 VanDerWaalsContact C-N 3.29Å; Y79-H81 WeakPolarHBondContact CB-CE1 3.39Å; Y79-H81 VanDerWaalsContact CB-ND1 3.31Å; Y79-H81 WeakPolarHBondContact CB-ND1 3.42Å; Y79-H81 AromaticContact CD1-CE1 3.67Å; Y79-H81 AromaticContact CD2-CE1 3.95Å; Y79-H81 AromaticContact CG-CE1 3.32Å; Y79-H81 AromaticContact CG-ND1 3.92Å; Y79-H81 PolarHBondContact O-N 3.16Å |
| 82 | E | 96.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -87.7 | -19 | 169.7 | -60.8 | -179.8 | -163 | 0 | 0 | 112.5 | Y79 S80 P84 K85 R108 H253 | Y79-E82 WeakPolarHBondContact CD2-OE1 3.46Å; Y79-E82 WeakPolarHBondContact O-CB 3.42Å; Y79-E82 PolarHBondContact O-N 3.27Å; Y79-E82 VanDerWaalsContact O-N 3.13Å; S80-E82 PolarHBondContact O-N 3.18Å; S80-E82 VanDerWaalsContact O-N 3.15Å; E82-P84 VanDerWaalsContact C-N 3.34Å; E82-K85 WeakPolarHBondContact O-CB 3.38Å; E82-K85 PolarHBondContact O-N 3.5Å; E82-K85 VanDerWaalsContact O-N 3.11Å; E82-R108 IonicContact OE1-NH1 3.71Å; E82-R108 IonicContact OE2-CZ 3.31Å; E82-R108 VanDerWaalsContact OE2-CZ 3.31Å; E82-R108 IonicContact OE2-NH1 2.88Å; E82-R108 PolarHBondContact OE2-NH1 2.98Å; E82-R108 IonicContact OE2-NH2 2.79Å; E82-R108 PolarHBondContact OE2-NH2 2.76Å; E82-H253 IonicContact OE1-CE1 3.27Å; E82-H253 PolarHBondContact OE1-CE1 3.05Å; E82-H253 VanDerWaalsContact OE1-CE1 3.27Å; E82-H253 IonicContact OE1-ND1 3.18Å; E82-H253 PolarHBondContact OE1-ND1 2.86Å; E82-H253 IonicContact OE2-ND1 3.3Å; E82-H253 PolarHBondContact OE2-ND1 3.2Å |
| 83 | L | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -60.3 | -26.9 | -177.2 | -62.7 | 177.1 | 0 | 0 | 0 | 116 | S80 K85 Y86 G87 I88 L92 A97 C100 T101 L104 I247 | S80-L83 VanDerWaalsContact O-CB 3.26Å; S80-L83 WeakPolarHBondContact O-CB 3.45Å; S80-L83 WeakPolarHBondContact O-CG 3.36Å; S80-L83 PolarHBondContact O-N 3.3Å; L83-K85 PolarHBondContact O-N 2.98Å; L83-K85 VanDerWaalsContact O-N 3.15Å; L83-Y86 HydrophobicContact CD2-CD2 4.49Å; L83-Y86 CarbonylContact O-C 3.57Å; L83-Y86 WeakPolarHBondContact O-CA 3.48Å; L83-Y86 PolarHBondContact O-N 3.08Å; L83-G87 PolarHBondContact O-N 2.79Å; L83-I88 CarbonylContact C-O 3.53Å; L83-I88 HydrophobicContact CB-CB 4.05Å; L83-I88 HydrophobicContact CB-CD1 4.25Å; L83-I88 HydrophobicContact CD1-CD1 4.2Å; L83-I88 HydrophobicContact CD2-CD1 4.46Å; L83-I88 PolarHBondContact O-N 2.74Å; L83-L92 HydrophobicContact CB-CD2 4.17Å; L83-A97 HydrophobicContact CD1-CB 3.99Å; L83-C100 HydrophobicContact CD1-CB 3.98Å; L83-C100 HydrophobicContact CD2-CB 3.82Å; L83-T101 HydrophobicContact CD1-CG2 3.89Å; L83-T101 HydrophobicContact CD2-CG2 4.49Å; L83-T101 HydrophobicContact CG-CG2 4.26Å; L83-L104 HydrophobicContact CD2-CD2 4.38Å; L83-I247 HydrophobicContact CD2-CD1 4.2Å |
| 84 | P | 97 | Very high | 97.1 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -55.7 | -28.9 | 171.9 | -29.8 | 37.1 | 0 | 0 | 0 | 113.9 | E82 Y86 G87 I88 L92 | E82-P84 VanDerWaalsContact C-N 3.34Å; P84-Y86 PolarHBondContact O-N 3.24Å; P84-G87 PolarHBondContact O-N 2.88Å; P84-I88 WeakPolarHBondContact CA-O 3.48Å; P84-I88 WeakPolarHBondContact CG-O 3.36Å; P84-L92 HydrophobicContact CG-CD1 4.33Å; P84-L92 HydrophobicContact CG-CD2 4.34Å |
| 85 | K | 95.8 | Very high | 97.1 | Very high | 128 Ų | 128 | 33.7 Ų | 33.7 | 56% | 0.557 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -64.1 | -22.8 | 174.4 | -64 | -174.9 | 174.2 | -168 | 0 | 113.2 | E82 L83 | E82-K85 WeakPolarHBondContact O-CB 3.38Å; E82-K85 PolarHBondContact O-N 3.5Å; E82-K85 VanDerWaalsContact O-N 3.11Å; L83-K85 PolarHBondContact O-N 2.98Å; L83-K85 VanDerWaalsContact O-N 3.15Å |
| 86 | Y | 97.2 | Very high | 97.1 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 9% | 0.09 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -105 | 13.5 | -178.4 | -54.9 | -76 | 0 | 0 | 0 | 112.2 | L83 P84 L104 A243 A246 I247 N250 | L83-Y86 HydrophobicContact CD2-CD2 4.49Å; L83-Y86 CarbonylContact O-C 3.57Å; L83-Y86 WeakPolarHBondContact O-CA 3.48Å; L83-Y86 PolarHBondContact O-N 3.08Å; P84-Y86 PolarHBondContact O-N 3.24Å; Y86-L104 HydrophobicContact CD2-CD2 4.48Å; Y86-L104 HydrophobicContact CE2-CD1 3.94Å; Y86-L104 HydrophobicContact CE2-CD2 3.79Å; Y86-A243 VanDerWaalsContact O-CA 3.26Å; Y86-A243 WeakPolarHBondContact O-CA 3.42Å; Y86-A243 WeakPolarHBondContact O-CB 3.49Å; Y86-A246 HydrophobicContact CD1-CB 4.05Å; Y86-I247 HydrophobicContact CD1-CG1 3.82Å; Y86-I247 HydrophobicContact CD2-CG1 4.04Å; Y86-I247 HydrophobicContact CE1-CG1 4.28Å; Y86-I247 HydrophobicContact CE2-CG1 4.49Å; Y86-I247 HydrophobicContact CG-CG1 3.68Å; Y86-N250 WeakPolarHBondContact CE1-O 3.24Å; Y86-N250 PolarHBondContact OH-O 3.3Å |
| 87 | G | 95.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 32.3 Ų | 32.3 | 41% | 0.412 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -1.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L83 P84 N89 | L83-G87 PolarHBondContact O-N 2.79Å; P84-G87 PolarHBondContact O-N 2.88Å; G87-N89 PolarHBondContact O-N 3.41Å |
| 88 | I | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -98.3 | 91 | 177.6 | -54.2 | 163.6 | 0 | 0 | 0 | 109.5 | L83 P84 V90 L92 C100 Y240 A243 | L83-I88 CarbonylContact C-O 3.53Å; L83-I88 HydrophobicContact CB-CB 4.05Å; L83-I88 HydrophobicContact CB-CD1 4.25Å; L83-I88 HydrophobicContact CD1-CD1 4.2Å; L83-I88 HydrophobicContact CD2-CD1 4.46Å; L83-I88 PolarHBondContact O-N 2.74Å; P84-I88 WeakPolarHBondContact CA-O 3.48Å; P84-I88 WeakPolarHBondContact CG-O 3.36Å; I88-V90 VanDerWaalsContact CG2-O 3.3Å; I88-V90 WeakPolarHBondContact CG2-O 3.3Å; I88-L92 HydrophobicContact CG2-CD2 4.04Å; I88-L92 WeakPolarHBondContact O-CD2 3.28Å; I88-C100 HydrophobicContact CD1-CB 4.06Å; I88-C100 VanDerWaalsContact CD1-SG 3.58Å; I88-Y240 HydrophobicContact CD1-CD1 3.7Å; I88-Y240 HydrophobicContact CD1-CE1 3.69Å; I88-Y240 HydrophobicContact CG1-CD1 4.16Å; I88-Y240 HydrophobicContact CG1-CE1 4.07Å; I88-Y240 HydrophobicContact CG2-CE1 4.12Å; I88-A243 HydrophobicContact CD1-CB 3.51Å; I88-A243 HydrophobicContact CG1-CB 3.6Å | ||
| 89 | N | 94.6 | Very high | 97.2 | Very high | 90 Ų | 90 | 31.3 Ų | 31.3 | 48% | 0.481 | 17% | 0.17 | S | C | . | . | trans | -82.6 | -22.8 | -176.4 | -68.7 | -38.3 | 0 | 0 | 0 | 114.2 | G87 | G87-N89 PolarHBondContact O-N 3.41Š| ||
| 90 | V | 95.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -135.2 | 168.9 | -175.3 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | I88 L92 R225 F226 N229 V231 | I88-V90 VanDerWaalsContact CG2-O 3.3Å; I88-V90 WeakPolarHBondContact CG2-O 3.3Å; V90-L92 PolarHBondContact O-N 2.96Å; V90-R225 HydrophobicContact CG1-CB 4.02Å; V90-F226 HydrophobicContact CB-CD2 4.18Å; V90-F226 HydrophobicContact CB-CE2 4.03Å; V90-F226 HydrophobicContact CB-CZ 4.26Å; V90-F226 HydrophobicContact CG2-CD1 3.73Å; V90-F226 HydrophobicContact CG2-CD2 3.94Å; V90-F226 HydrophobicContact CG2-CE1 3.67Å; V90-F226 HydrophobicContact CG2-CE2 3.89Å; V90-F226 HydrophobicContact CG2-CG 3.86Å; V90-F226 HydrophobicContact CG2-CZ 3.75Å; V90-N229 HydrophobicContact CG1-CB 4.29Å; V90-N229 WeakPolarHBondContact CG1-ND2 3.18Å; V90-V231 HydrophobicContact CG2-CG2 4.04Å |
| 91 | G | 95 | Very high | 97.2 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 24% | 0.237 | 16% | 0.158 | C | C | . | . | trans | 72.5 | 22.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T93 N94 | G91-T93 PolarHBondContact O-N 3.25Å; G91-N94 PolarHBondContact O-N 3Å; G91-N94 VanDerWaalsContact O-N 3.15Å; G91-N94 PolarHBondContact O-OD1 2.95Å; G91-N94 VanDerWaalsContact O-OD1 3.05Å | ||
| 92 | L | 97.7 | Very high | 97.3 | Very high | 36 Ų | 36 | 23.3 Ų | 23.3 | 19% | 0.188 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 1.7 | -170.8 | -55.1 | -177.6 | 0 | 0 | 0 | 116.8 | S80 L83 P84 I88 V90 | S80-L92 WeakPolarHBondContact CB-O 3.24Å; S80-L92 PolarHBondContact OG-O 3.18Å; L83-L92 HydrophobicContact CB-CD2 4.17Å; P84-L92 HydrophobicContact CG-CD1 4.33Å; P84-L92 HydrophobicContact CG-CD2 4.34Å; I88-L92 HydrophobicContact CG2-CD2 4.04Å; I88-L92 WeakPolarHBondContact O-CD2 3.28Å; V90-L92 PolarHBondContact O-N 2.96Å |
| 93 | T | 98 | Very high | 97.4 | Very high | 41 Ų | 41 | 22.7 Ų | 22.7 | 25% | 0.252 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 9.7 | -178.4 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | D59 G91 K158 | D59-T93 VanDerWaalsContact N-CG2 3.33Å; G91-T93 PolarHBondContact O-N 3.25Å; T93-K158 WeakPolarHBondContact O-CD 3.42Å; T93-K158 WeakPolarHBondContact O-CE 3.47Å; T93-K158 PolarHBondContact O-NZ 3.27Å |
| 94 | N | 97.9 | Very high | 97.4 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 14% | 0.144 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -79.7 | -175.8 | 174.8 | 68.8 | 4.5 | 0 | 0 | 0 | 111.2 | G91 A96 A97 A98 Y240 | G91-N94 PolarHBondContact O-N 3Å; G91-N94 VanDerWaalsContact O-N 3.15Å; G91-N94 PolarHBondContact O-OD1 2.95Å; G91-N94 VanDerWaalsContact O-OD1 3.05Å; N94-A96 PolarHBondContact OD1-N 3.12Å; N94-A97 WeakPolarHBondContact OD1-CB 3.32Å; N94-A97 PolarHBondContact OD1-N 3.43Å; N94-A98 PolarHBondContact O-N 2.89Å; N94-Y240 PolarHBondContact ND2-OH 3.12Å |
| 95 | Y | 98.5 | Very high | 97.5 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 5% | 0.051 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.4 | -44.3 | -179.9 | -167.4 | -85.3 | 0 | 0 | 0 | 112.2 | A97 A98 Y99 K158 G161 P181 H195 H198 I199 | Y95-A97 PolarHBondContact O-N 3.02Å; Y95-A98 WeakPolarHBondContact O-CA 3.37Å; Y95-A98 VanDerWaalsContact O-CB 3.27Å; Y95-A98 WeakPolarHBondContact O-CB 3.44Å; Y95-A98 PolarHBondContact O-N 2.86Å; Y95-Y99 PolarHBondContact O-N 3.13Å; Y95-K158 HydrophobicContact CD2-CG 4.1Å; Y95-G161 WeakPolarHBondContact OH-CA 3.44Å; Y95-G161 PolarHBondContact OH-N 3.05Å; Y95-P181 HydrophobicContact CD2-CG 4.21Å; Y95-P181 HydrophobicContact CE1-CG 4.31Å; Y95-P181 HydrophobicContact CE2-CG 3.63Å; Y95-P181 VanDerWaalsContact OH-CD 3.29Å; Y95-P181 WeakPolarHBondContact OH-CD 3.35Å; Y95-H195 AromaticContact CZ-NE2 3.94Å; Y95-H195 PolarHBondContact OH-NE2 3.28Å; Y95-H198 HydrophobicContact CD1-CB 3.91Å; Y95-H198 HydrophobicContact CE1-CB 4.23Å; Y95-H198 HydrophobicContact CG-CB 4.37Å; Y95-I199 HydrophobicContact CE1-CG1 3.99Å |
| 96 | A | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N94 A98 Y99 C100 I199 Y240 | N94-A96 PolarHBondContact OD1-N 3.12Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A96-A98 PolarHBondContact O-N 3.42Å; A96-Y99 WeakPolarHBondContact O-CB 3.23Å; A96-Y99 PolarHBondContact O-N 2.88Å; A96-C100 PolarHBondContact O-N 3.49Å; A96-C100 PolarHBondContact O-SG 2.68Å; A96-I199 WeakPolarHBondContact CA-O 3.47Å; A96-I199 WeakPolarHBondContact CB-O 3.21Å; A96-Y240 HydrophobicContact CB-CD1 3.87Å; A96-Y240 HydrophobicContact CB-CD2 4.01Å; A96-Y240 HydrophobicContact CB-CE1 3.49Å; A96-Y240 VanDerWaalsContact CB-CE1 3.49Å; A96-Y240 HydrophobicContact CB-CE2 3.66Å; A96-Y240 HydrophobicContact CB-CG 4.13Å |
| 97 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I60 L83 N94 Y95 C100 T101 | I60-A97 HydrophobicContact CD1-CB 4.45Å; L83-A97 HydrophobicContact CD1-CB 3.99Å; N94-A97 WeakPolarHBondContact OD1-CB 3.32Å; N94-A97 PolarHBondContact OD1-N 3.43Å; Y95-A97 PolarHBondContact O-N 3.02Å; A97-C100 PolarHBondContact O-N 3.42Å; A97-T101 WeakPolarHBondContact O-CG2 3.27Å; A97-T101 PolarHBondContact O-N 2.67Å; A97-T101 PolarHBondContact O-OG1 3.01Å |
| 98 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | I60 N94 Y95 A96 T101 G102 K158 A162 | I60-A98 HydrophobicContact CD1-CB 3.65Å; N94-A98 PolarHBondContact O-N 2.89Å; Y95-A98 WeakPolarHBondContact O-CA 3.37Å; Y95-A98 VanDerWaalsContact O-CB 3.27Å; Y95-A98 WeakPolarHBondContact O-CB 3.44Å; Y95-A98 PolarHBondContact O-N 2.86Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A96-A98 PolarHBondContact O-N 3.42Å; A98-T101 PolarHBondContact O-N 2.82Å; A98-T101 PolarHBondContact O-OG1 3.15Å; A98-G102 PolarHBondContact O-N 3.38Å; A98-K158 HydrophobicContact CB-CB 4.18Å; A98-K158 WeakPolarHBondContact CB-O 3.4Å; A98-A162 HydrophobicContact CB-CB 4.4Å; A98-A162 VanDerWaalsContact O-CA 3.25Å; A98-A162 WeakPolarHBondContact O-CA 3.37Å; A98-A162 WeakPolarHBondContact O-CB 3.32Å |
| 99 | Y | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.6 | -51.9 | 173.1 | -179.4 | -87.9 | 0 | 0 | 0 | 111.9 | Y95 A96 T101 G102 L103 V125 G161 K164 G165 D168 I199 H244 | Y95-Y99 PolarHBondContact O-N 3.13Å; A96-Y99 WeakPolarHBondContact O-CB 3.23Å; A96-Y99 PolarHBondContact O-N 2.88Å; Y99-T101 VanDerWaalsContact C-N 3.32Å; Y99-T101 PolarHBondContact O-N 3.26Å; Y99-G102 PolarHBondContact O-N 3.2Å; Y99-L103 HydrophobicContact CE1-CD2 4.35Å; Y99-L103 PolarHBondContact O-N 3.36Å; Y99-V125 HydrophobicContact CE1-CG2 4.31Å; Y99-V125 WeakPolarHBondContact OH-CG2 3.49Å; Y99-G161 VanDerWaalsContact CA-O 3.3Å; Y99-G161 WeakPolarHBondContact CA-O 3.49Å; Y99-K164 HydrophobicContact CD2-CB 4.27Å; Y99-K164 HydrophobicContact CD2-CG 4.22Å; Y99-K164 HydrophobicContact CE2-CB 4.4Å; Y99-K164 HydrophobicContact CE2-CG 3.92Å; Y99-G165 VanDerWaalsContact CD2-CA 3.47Å; Y99-G165 VanDerWaalsContact CE2-CA 3.49Å; Y99-D168 HydrophobicContact CE2-CB 4.41Å; Y99-D168 VanDerWaalsContact CE2-OD2 3.23Å; Y99-D168 WeakPolarHBondContact CE2-OD2 3.48Å; Y99-D168 VanDerWaalsContact OH-CB 3.32Å; Y99-D168 WeakPolarHBondContact OH-CB 3.31Å; Y99-D168 PolarHBondContact OH-OD2 3.15Å; Y99-I199 HydrophobicContact CD1-CG2 3.58Å; Y99-I199 HydrophobicContact CD2-CB 4.48Å; Y99-I199 HydrophobicContact CD2-CD1 4.15Å; Y99-I199 HydrophobicContact CD2-CG1 3.97Å; Y99-I199 HydrophobicContact CD2-CG2 3.72Å; Y99-I199 HydrophobicContact CE1-CG2 3.76Å; Y99-I199 HydrophobicContact CE2-CD1 4.01Å; Y99-I199 HydrophobicContact CE2-CG1 4.3Å; Y99-I199 HydrophobicContact CE2-CG2 3.86Å; Y99-I199 HydrophobicContact CG-CG1 4.46Å; Y99-I199 HydrophobicContact CG-CG2 3.57Å; Y99-H244 AromaticContact CD1-CE1 3.89Å; Y99-H244 AromaticContact CD1-NE2 3.48Å; Y99-H244 WeakPolarHBondContact CD1-NE2 3.3Å; Y99-H244 AromaticContact CE1-CE1 3.65Å; Y99-H244 AromaticContact CE1-NE2 3.59Å |
| 100 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 177.7 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | L83 I88 A96 A97 G102 L103 L104 H244 I247 | L83-C100 HydrophobicContact CD1-CB 3.98Å; L83-C100 HydrophobicContact CD2-CB 3.82Å; I88-C100 HydrophobicContact CD1-CB 4.06Å; I88-C100 VanDerWaalsContact CD1-SG 3.58Å; A96-C100 PolarHBondContact O-N 3.49Å; A96-C100 PolarHBondContact O-SG 2.68Å; A97-C100 PolarHBondContact O-N 3.42Å; C100-G102 VanDerWaalsContact C-N 3.34Å; C100-G102 PolarHBondContact O-N 3.34Å; C100-L103 PolarHBondContact O-N 2.91Å; C100-L104 VanDerWaalsContact O-CB 3.31Å; C100-L104 WeakPolarHBondContact O-CB 3.3Å; C100-L104 PolarHBondContact O-N 2.99Å; C100-H244 VanDerWaalsContact SG-CD2 3.57Å; C100-H244 PolarHBondContact SG-NE2 2.97Å; C100-H244 VanDerWaalsContact SG-NE2 3.38Å; C100-I247 HydrophobicContact CB-CD1 4.08Å |
| 101 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.2 | -35.3 | 176.7 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | I60 S80 L83 A97 A98 Y99 L105 | I60-T101 HydrophobicContact CB-CG2 4.26Å; I60-T101 HydrophobicContact CG2-CG2 4.28Å; I60-T101 WeakPolarHBondContact CG2-OG1 2.97Å; S80-T101 VanDerWaalsContact CA-CG2 3.48Å; L83-T101 HydrophobicContact CD1-CG2 3.89Å; L83-T101 HydrophobicContact CD2-CG2 4.49Å; L83-T101 HydrophobicContact CG-CG2 4.26Å; A97-T101 WeakPolarHBondContact O-CG2 3.27Å; A97-T101 PolarHBondContact O-N 2.67Å; A97-T101 PolarHBondContact O-OG1 3.01Å; A98-T101 PolarHBondContact O-N 2.82Å; A98-T101 PolarHBondContact O-OG1 3.15Å; Y99-T101 VanDerWaalsContact C-N 3.32Å; Y99-T101 PolarHBondContact O-N 3.26Å; T101-L105 WeakPolarHBondContact O-CB 3.47Å; T101-L105 PolarHBondContact O-N 2.91Å; T101-L105 VanDerWaalsContact O-N 3.08Å |
| 102 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.7 | -47.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A98 Y99 C100 L104 L105 A106 A162 | A98-G102 PolarHBondContact O-N 3.38Å; Y99-G102 PolarHBondContact O-N 3.2Å; C100-G102 VanDerWaalsContact C-N 3.34Å; C100-G102 PolarHBondContact O-N 3.34Å; G102-L104 PolarHBondContact O-N 2.89Å; G102-L105 PolarHBondContact O-N 3.41Å; G102-A106 PolarHBondContact O-N 3.3Å; G102-A162 WeakPolarHBondContact CA-O 3.47Å |
| 103 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 176.2 | 179.1 | 62.5 | 0 | 0 | 0 | 111.3 | Y99 C100 L105 A106 R107 G165 H244 I247 | Y99-L103 HydrophobicContact CE1-CD2 4.35Å; Y99-L103 PolarHBondContact O-N 3.36Å; C100-L103 PolarHBondContact O-N 2.91Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 3.44Å; L103-A106 PolarHBondContact O-N 3.11Å; L103-R107 HydrophobicContact CD1-CG 4.13Å; L103-R107 WeakPolarHBondContact O-CG 3.48Å; L103-R107 PolarHBondContact O-N 3.13Å; L103-G165 WeakPolarHBondContact CA-O 3.3Å; L103-G165 PolarHBondContact N-O 2.85Å; L103-H244 HydrophobicContact CD2-CB 4.09Å; L103-I247 HydrophobicContact CD2-CG2 4.34Å; L103-I247 HydrophobicContact CG-CG2 4.02Å |
| 104 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 177.1 | 177.9 | 59.8 | 0 | 0 | 0 | 112.1 | A78 L83 Y86 C100 G102 R108 I247 P251 | A78-L104 HydrophobicContact CB-CB 4.36Å; A78-L104 HydrophobicContact CB-CD2 4.15Å; A78-L104 HydrophobicContact CB-CG 4.07Å; L83-L104 HydrophobicContact CD2-CD2 4.38Å; Y86-L104 HydrophobicContact CD2-CD2 4.48Å; Y86-L104 HydrophobicContact CE2-CD1 3.94Å; Y86-L104 HydrophobicContact CE2-CD2 3.79Å; C100-L104 VanDerWaalsContact O-CB 3.31Å; C100-L104 WeakPolarHBondContact O-CB 3.3Å; C100-L104 PolarHBondContact O-N 2.99Å; G102-L104 PolarHBondContact O-N 2.89Å; L104-R108 WeakPolarHBondContact O-CB 3.42Å; L104-R108 PolarHBondContact O-N 3.05Å; L104-I247 HydrophobicContact CB-CD1 4.39Å; L104-I247 HydrophobicContact CB-CG2 3.96Å; L104-I247 HydrophobicContact CD1-CG1 4.46Å; L104-I247 HydrophobicContact CD1-CG2 3.97Å; L104-P251 HydrophobicContact CD1-CB 4.42Å |
| 105 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 177.5 | 179.1 | 63.7 | 0 | 0 | 0 | 112 | L51 C62 I64 A78 T101 G102 L103 R108 L109 | L51-L105 HydrophobicContact CD1-CD2 3.27Å; C62-L105 HydrophobicContact CB-CB 4.44Å; C62-L105 HydrophobicContact CB-CD2 3.66Å; I64-L105 HydrophobicContact CD1-CD2 4.32Å; I64-L105 HydrophobicContact CG1-CD1 4.26Å; I64-L105 HydrophobicContact CG1-CD2 4.01Å; I64-L105 HydrophobicContact CG1-CG 4.12Å; A78-L105 HydrophobicContact CB-CB 3.81Å; A78-L105 HydrophobicContact CB-CD1 4.36Å; T101-L105 WeakPolarHBondContact O-CB 3.47Å; T101-L105 PolarHBondContact O-N 2.91Å; T101-L105 VanDerWaalsContact O-N 3.08Å; G102-L105 PolarHBondContact O-N 3.41Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 3.44Å; L105-R108 PolarHBondContact O-N 2.79Å; L105-L109 WeakPolarHBondContact O-CB 3.39Å; L105-L109 PolarHBondContact O-N 3.31Å |
| 106 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.2 | -53.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G102 L103 R108 L109 L110 A166 L171 | G102-A106 PolarHBondContact O-N 3.3Å; L103-A106 PolarHBondContact O-N 3.11Å; A106-R108 VanDerWaalsContact C-N 3.3Å; A106-R108 PolarHBondContact O-N 2.92Å; A106-L109 WeakPolarHBondContact O-CB 3.46Å; A106-L109 PolarHBondContact O-N 3.29Å; A106-L109 VanDerWaalsContact O-N 3.11Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 3Å; A106-A166 HydrophobicContact CB-CB 4.49Å; A106-A166 WeakPolarHBondContact CB-O 3.22Å; A106-L171 HydrophobicContact CB-CD1 3.99Å; A106-L171 HydrophobicContact CB-CD2 4.33Å; A106-L171 HydrophobicContact CB-CG 3.7Å |
| 107 | R | 98.4 | Very high | 97.4 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -39.7 | 178.2 | -62.9 | -49.7 | -61.4 | 168.7 | -5.1 | 112.1 | L103 L109 L110 H111 D116 Y119 E120 G169 I247 R248 P251 | L103-R107 HydrophobicContact CD1-CG 4.13Å; L103-R107 WeakPolarHBondContact O-CG 3.48Å; L103-R107 PolarHBondContact O-N 3.13Å; R107-L109 PolarHBondContact O-N 3.34Å; R107-L110 PolarHBondContact O-N 3.38Å; R107-H111 VanDerWaalsContact O-CB 3.24Å; R107-H111 WeakPolarHBondContact O-CB 3.37Å; R107-H111 PolarHBondContact O-N 3.4Å; R107-D116 PolarHBondContact NH1-O 2.87Å; R107-D116 PolarHBondContact NH2-O 3.16Å; R107-Y119 PolarHBondContact NH1-O 2.98Å; R107-E120 PolarHBondContact NH1-O 3.34Å; R107-G169 WeakPolarHBondContact CD-O 3.47Å; R107-I247 HydrophobicContact CG-CG2 4.49Å; R107-R248 HydrophobicContact CG-CG 4.36Å; R107-P251 HydrophobicContact CB-CB 3.7Å; R107-P251 HydrophobicContact CB-CG 4.15Å |
| 108 | R | 98 | Very high | 97.3 | Very high | 19 Ų | 19 | 32 Ų | 32 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.4 | -174.9 | 178 | -66.7 | 174.9 | -3.8 | 112.6 | A77 E82 L104 L105 A106 K112 P251 | A77-R108 PolarHBondContact O-NH1 2.98Å; E82-R108 IonicContact OE1-NH1 3.71Å; E82-R108 IonicContact OE2-CZ 3.31Å; E82-R108 VanDerWaalsContact OE2-CZ 3.31Å; E82-R108 IonicContact OE2-NH1 2.88Å; E82-R108 PolarHBondContact OE2-NH1 2.98Å; E82-R108 IonicContact OE2-NH2 2.79Å; E82-R108 PolarHBondContact OE2-NH2 2.76Å; L104-R108 WeakPolarHBondContact O-CB 3.42Å; L104-R108 PolarHBondContact O-N 3.05Å; L105-R108 PolarHBondContact O-N 2.79Å; A106-R108 VanDerWaalsContact C-N 3.3Å; A106-R108 PolarHBondContact O-N 2.92Å; R108-K112 VanDerWaalsContact O-CB 3.32Å; R108-K112 WeakPolarHBondContact O-CB 2.98Å; R108-K112 PolarHBondContact O-N 2.96Å; R108-K112 VanDerWaalsContact O-N 3.15Å; R108-P251 HydrophobicContact CB-CB 4.24Å; R108-P251 PolarHBondContact NE-O 2.97Å; R108-P251 PolarHBondContact NH2-O 3.01Å |
| 109 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.7 | -48.2 | 177.5 | -174.1 | 77.4 | 0 | 0 | 0 | 111.3 | I64 V75 L105 A106 R107 K112 F113 F142 L171 | I64-L109 HydrophobicContact CB-CD1 4.34Å; I64-L109 HydrophobicContact CG1-CD1 4.41Å; I64-L109 HydrophobicContact CG1-CD2 4.06Å; I64-L109 HydrophobicContact CG2-CD1 4.31Å; I64-L109 HydrophobicContact CG2-CD2 4.47Å; V75-L109 HydrophobicContact CB-CD1 4.25Å; V75-L109 HydrophobicContact CG1-CD1 3.58Å; L105-L109 WeakPolarHBondContact O-CB 3.39Å; L105-L109 PolarHBondContact O-N 3.31Å; A106-L109 WeakPolarHBondContact O-CB 3.46Å; A106-L109 PolarHBondContact O-N 3.29Å; A106-L109 VanDerWaalsContact O-N 3.11Å; R107-L109 PolarHBondContact O-N 3.34Å; L109-K112 WeakPolarHBondContact O-CB 3.15Å; L109-K112 PolarHBondContact O-N 3.45Å; L109-F113 HydrophobicContact CD1-CD2 4.23Å; L109-F113 HydrophobicContact CD1-CE2 3.69Å; L109-F113 HydrophobicContact CD1-CZ 4.46Å; L109-F113 HydrophobicContact CG-CD2 4.06Å; L109-F113 HydrophobicContact CG-CE2 3.96Å; L109-F113 PolarHBondContact O-N 3.13Å; L109-F113 VanDerWaalsContact O-N 3.15Å; L109-F142 HydrophobicContact CD2-CD1 3.48Å; L109-F142 VanDerWaalsContact CD2-CD1 3.48Å; L109-F142 HydrophobicContact CD2-CD2 4.1Å; L109-F142 HydrophobicContact CD2-CE1 3.49Å; L109-F142 VanDerWaalsContact CD2-CE1 3.49Å; L109-F142 HydrophobicContact CD2-CE2 4.12Å; L109-F142 HydrophobicContact CD2-CG 3.79Å; L109-F142 HydrophobicContact CD2-CZ 3.82Å; L109-L171 HydrophobicContact CD2-CD1 4.24Å; L109-L171 HydrophobicContact CD2-CD2 3.75Å |
| 110 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | -178.9 | -66.5 | 177 | 0 | 0 | 0 | 111.4 | A106 R107 K112 F113 G114 M115 D116 Y119 F142 G169 L171 | A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 3Å; R107-L110 PolarHBondContact O-N 3.38Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 3.34Å; L110-F113 CarbonylContact O-C 3.5Å; L110-F113 PolarHBondContact O-N 2.88Å; L110-F113 VanDerWaalsContact O-N 3.07Å; L110-G114 PolarHBondContact O-N 2.98Å; L110-M115 HydrophobicContact CD2-CB 4.12Å; L110-M115 HydrophobicContact CD2-CE 4.09Å; L110-M115 PolarHBondContact O-N 2.94Å; L110-D116 HydrophobicContact CB-CB 4.02Å; L110-Y119 WeakPolarHBondContact CD1-O 3.46Å; L110-F142 HydrophobicContact CD2-CB 4.38Å; L110-G169 WeakPolarHBondContact CD1-O 3.49Å; L110-L171 HydrophobicContact CD2-CD2 4.08Å; L110-L171 HydrophobicContact CG-CD2 4.14Å |
| 111 | H | 97.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 174 | 179.2 | -75.2 | 0 | 0 | 0 | 111.5 | R107 F113 G114 D116 P251 | R107-H111 VanDerWaalsContact O-CB 3.24Å; R107-H111 WeakPolarHBondContact O-CB 3.37Å; R107-H111 PolarHBondContact O-N 3.4Å; H111-F113 PolarHBondContact O-N 3.33Å; H111-G114 PolarHBondContact O-N 3.38Å; H111-D116 HydrophobicContact CB-CB 4.4Å; H111-D116 IonicContact CD2-OD2 3.91Å; H111-P251 HydrophobicContact CB-CG 4.01Å |
| 112 | K | 96.5 | Very high | 96.6 | Very high | 127 Ų | 127 | 39.9 Ų | 39.9 | 55% | 0.552 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -63.3 | -28.5 | 176.6 | 178.8 | 174.1 | 176.4 | 173.7 | 0 | 113 | V75 R108 L109 L110 | V75-K112 PolarHBondContact O-NZ 3.14Å; R108-K112 VanDerWaalsContact O-CB 3.32Å; R108-K112 WeakPolarHBondContact O-CB 2.98Å; R108-K112 PolarHBondContact O-N 2.96Å; R108-K112 VanDerWaalsContact O-N 3.15Å; L109-K112 WeakPolarHBondContact O-CB 3.15Å; L109-K112 PolarHBondContact O-N 3.45Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 3.34Å |
| 113 | F | 96.6 | Very high | 96.4 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 37% | 0.373 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -100.6 | 1.7 | 177.8 | -67.3 | -43.8 | 0 | 0 | 0 | 114 | V75 L109 L110 H111 M115 F142 | V75-F113 HydrophobicContact CG1-CE2 4.07Å; V75-F113 HydrophobicContact CG1-CZ 3.62Å; L109-F113 HydrophobicContact CD1-CD2 4.23Å; L109-F113 HydrophobicContact CD1-CE2 3.69Å; L109-F113 HydrophobicContact CD1-CZ 4.46Å; L109-F113 HydrophobicContact CG-CD2 4.06Å; L109-F113 HydrophobicContact CG-CE2 3.96Å; L109-F113 PolarHBondContact O-N 3.13Å; L109-F113 VanDerWaalsContact O-N 3.15Å; L110-F113 CarbonylContact O-C 3.5Å; L110-F113 PolarHBondContact O-N 2.88Å; L110-F113 VanDerWaalsContact O-N 3.07Å; H111-F113 PolarHBondContact O-N 3.33Å; F113-M115 VanDerWaalsContact C-N 3.32Å; F113-M115 HydrophobicContact CB-CE 3.74Å; F113-M115 HydrophobicContact CB-CG 4.36Å; F113-M115 HydrophobicContact CD2-CE 4.09Å; F113-M115 HydrophobicContact CG-CE 4.32Å; F113-M115 PolarHBondContact O-N 2.69Å; F113-F142 HydrophobicContact CD2-CD2 4.19Å; F113-F142 HydrophobicContact CD2-CE2 4.26Å; F113-F142 AromaticContact CE2-CD2 3.98Å; F113-F142 HydrophobicContact CE2-CD2 3.98Å; F113-F142 AromaticContact CE2-CE2 3.59Å; F113-F142 HydrophobicContact CE2-CE2 3.59Å; F113-F142 HydrophobicContact CE2-CZ 4.43Å; F113-F142 HydrophobicContact CZ-CE2 4.45Å |
| 114 | G | 95.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 61% | 0.608 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 30 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L110 H111 | L110-G114 PolarHBondContact O-N 2.98Å; H111-G114 PolarHBondContact O-N 3.38Å |
| 115 | M | 95.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 52 Ų | 52 | 11% | 0.108 | 27% | 0.271 | C | S | . | . | trans | -114.1 | 10.6 | -179.2 | -60.2 | -172.4 | -66.4 | 0 | 0 | 112.8 | L110 F113 V118 Y119 P139 F142 | L110-M115 HydrophobicContact CD2-CB 4.12Å; L110-M115 HydrophobicContact CD2-CE 4.09Å; L110-M115 PolarHBondContact O-N 2.94Å; F113-M115 VanDerWaalsContact C-N 3.32Å; F113-M115 HydrophobicContact CB-CE 3.74Å; F113-M115 HydrophobicContact CB-CG 4.36Å; F113-M115 HydrophobicContact CD2-CE 4.09Å; F113-M115 HydrophobicContact CG-CE 4.32Å; F113-M115 PolarHBondContact O-N 2.69Å; M115-V118 PolarHBondContact O-N 2.96Å; M115-Y119 HydrophobicContact CB-CD2 4.28Å; M115-Y119 PolarHBondContact O-N 2.83Å; M115-Y119 VanDerWaalsContact O-N 3.09Å; M115-P139 HydrophobicContact SD-CB 3.96Å; M115-F142 HydrophobicContact CE-CB 4.25Å; M115-F142 HydrophobicContact CE-CD2 4.42Å | ||
| 116 | D | 93 | Very high | 95.5 | Very high | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -29 | -173.2 | 57.6 | -50.3 | 0 | 0 | 0 | 113.8 | R107 L110 H111 | R107-D116 PolarHBondContact NH1-O 2.87Å; R107-D116 PolarHBondContact NH2-O 3.16Å; L110-D116 HydrophobicContact CB-CB 4.02Å; H111-D116 HydrophobicContact CB-CB 4.4Å; H111-D116 IonicContact CD2-OD2 3.91Å |
| 117 | Q | 93.9 | Very high | 95.2 | Very high | 161 Ų | 161 | 55 Ų | 55 | 75% | 0.752 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -33.1 | 174.1 | -63.4 | -179 | -2.5 | 0 | 0 | 112.7 | ||
| 118 | V | 95 | Very high | 95 | Very high | 51 Ų | 51 | 57.9 Ų | 57.9 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -43.7 | 179.3 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | M115 Q138 | M115-V118 PolarHBondContact O-N 2.96Å; V118-Q138 HydrophobicContact CG1-CB 3.87Å; V118-Q138 HydrophobicContact CG1-CG 4.02Å; V118-Q138 HydrophobicContact CG2-CG 4.49Å |
| 119 | Y | 96.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | trans | -114.3 | 74 | -177.2 | -60.8 | -63.5 | 0 | 0 | 0 | 110.6 | R107 L110 M115 G121 V132 E133 S134 V135 P139 A141 | R107-Y119 PolarHBondContact NH1-O 2.98Å; L110-Y119 WeakPolarHBondContact CD1-O 3.46Å; M115-Y119 HydrophobicContact CB-CD2 4.28Å; M115-Y119 PolarHBondContact O-N 2.83Å; M115-Y119 VanDerWaalsContact O-N 3.09Å; Y119-G121 PolarHBondContact O-N 3.19Å; Y119-V132 HydrophobicContact CD1-CG1 3.51Å; Y119-V132 HydrophobicContact CE1-CG1 4.02Å; Y119-V132 HydrophobicContact CG-CG1 4.28Å; Y119-E133 WeakPolarHBondContact CE1-O 3.3Å; Y119-S134 WeakPolarHBondContact OH-CA 3.49Å; Y119-V135 HydrophobicContact CE1-CG2 4.08Å; Y119-V135 PolarHBondContact OH-N 2.96Å; Y119-P139 WeakPolarHBondContact CE2-O 3.02Å; Y119-P139 PolarHBondContact OH-O 2.88Å; Y119-A141 HydrophobicContact CD1-CB 4.36Å; Y119-A141 HydrophobicContact CE1-CB 3.94Å; Y119-A141 HydrophobicContact CE2-CB 4.26Å; Y119-A141 PolarHBondContact OH-N 3.3Å; Y119-A141 VanDerWaalsContact OH-N 3.16Å | ||
| 120 | E | 94.9 | Very high | 94.6 | Very high | 107 Ų | 107 | 64.2 Ų | 64.2 | 50% | 0.5 | 34% | 0.336 | S | S | . | . | trans | -66.3 | -27.4 | 176.5 | -62.4 | -167.6 | 165.8 | 0 | 0 | 112.7 | R107 | R107-E120 PolarHBondContact NH1-O 3.34Š| ||
| 121 | G | 94.7 | Very high | 94.4 | Very high | 23 Ų | 23 | 67.5 Ų | 67.5 | 24% | 0.237 | 35% | 0.354 | C | S | . | . | trans | 74.4 | -149.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y119 D168 | Y119-G121 PolarHBondContact O-N 3.19Å; G121-D168 CarbonylContact C-O 3.46Å; G121-D168 WeakPolarHBondContact CA-O 3.22Å | ||
| 122 | Q | 94.8 | Very high | 94.2 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | trans | -97.5 | 101.7 | -175.9 | -168 | -179.9 | -8 | 0 | 0 | 110.5 | E124 T126 F130 D168 R248 | Q122-E124 VanDerWaalsContact CG-O 3.28Å; Q122-E124 WeakPolarHBondContact CG-O 3.31Å; Q122-E124 PolarHBondContact NE2-O 3.28Å; Q122-T126 PolarHBondContact NE2-OG1 3.26Å; Q122-F130 HydrophobicContact CB-CD1 3.99Å; Q122-F130 HydrophobicContact CB-CD2 4.45Å; Q122-F130 HydrophobicContact CB-CE1 4.09Å; Q122-F130 HydrophobicContact CB-CG 4.18Å; Q122-F130 HydrophobicContact CB-CZ 4.38Å; Q122-D168 HydrophobicContact CB-CB 4.26Å; Q122-D168 PolarHBondContact N-O 2.97Å; Q122-R248 PolarHBondContact O-NH2 3.22Å | ||
| 123 | V | 93.2 | Very high | 94.1 | Very high | 84 Ų | 84 | 65.9 Ų | 65.9 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -63.1 | -50.3 | -177.1 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | R248 | V123-R248 PolarHBondContact O-NH1 3.32Š|
| 124 | E | 92.2 | Very high | 94 | Very high | 158 Ų | 158 | 65.4 Ų | 65.4 | 74% | 0.738 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -92.8 | 119 | 177.8 | -63.4 | -167.7 | 169.1 | 0 | 0 | 111.7 | Q122 T126 | Q122-E124 VanDerWaalsContact CG-O 3.28Å; Q122-E124 WeakPolarHBondContact CG-O 3.31Å; Q122-E124 PolarHBondContact NE2-O 3.28Å; E124-T126 PolarHBondContact O-N 2.86Å; E124-T126 VanDerWaalsContact O-N 3.15Å |
| 125 | V | 93.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 66.1 Ų | 66.1 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | trans | -75.8 | 106.5 | -176.7 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | Y99 R196 I199 M200 | Y99-V125 HydrophobicContact CE1-CG2 4.31Å; Y99-V125 WeakPolarHBondContact OH-CG2 3.49Å; V125-R196 WeakPolarHBondContact O-CD 3.27Å; V125-R196 PolarHBondContact O-NE 3.48Å; V125-I199 HydrophobicContact CG1-CB 4.3Å; V125-I199 HydrophobicContact CG1-CD1 3.84Å; V125-I199 HydrophobicContact CG1-CG2 3.78Å; V125-M200 HydrophobicContact CB-CE 3.67Å; V125-M200 HydrophobicContact CG1-CE 4.17Å; V125-M200 HydrophobicContact CG2-CE 4.04Å | ||
| 126 | T | 92.5 | Very high | 93.7 | Very high | 65 Ų | 65 | 72.8 Ų | 72.8 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | trans | -91.6 | -24.1 | 173.7 | 63.9 | 0 | 0 | 0 | 0 | 113 | Q122 E124 D128 R196 | Q122-T126 PolarHBondContact NE2-OG1 3.26Å; E124-T126 PolarHBondContact O-N 2.86Å; E124-T126 VanDerWaalsContact O-N 3.15Å; T126-D128 VanDerWaalsContact C-N 3.25Å; T126-D128 PolarHBondContact OG1-N 3.21Å; T126-R196 WeakPolarHBondContact O-CB 3.42Å | ||
| 127 | G | 91.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | 82.3 | -1.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F190 H195 | G127-F190 WeakPolarHBondContact O-CE1 3.38Å; G127-F190 WeakPolarHBondContact O-CZ 3.3Å; G127-H195 PolarHBondContact O-ND1 3.39Å | ||
| 128 | D | 94.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 72.2 Ų | 72.2 | 43% | 0.428 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -82.5 | 175.5 | -178.6 | -155.5 | 1.8 | 0 | 0 | 0 | 112.9 | T126 F130 K164 A192 | T126-D128 VanDerWaalsContact C-N 3.25Å; T126-D128 PolarHBondContact OG1-N 3.21Å; D128-F130 PolarHBondContact O-N 2.94Å; D128-K164 VanDerWaalsContact O-CE 3.3Å; D128-K164 WeakPolarHBondContact O-CE 3.45Å; D128-K164 PolarHBondContact O-NZ 2.9Å; D128-A192 HydrophobicContact CB-CB 4.03Å |
| 129 | E | 93.3 | Very high | 93.8 | Very high | 93 Ų | 93 | 73.2 Ų | 73.2 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | trans | -60.9 | 130.9 | 171 | -166.3 | 156.3 | -164.8 | 0 | 0 | 111.2 | N131 L177 | E129-N131 PolarHBondContact OE1-ND2 3.45Å; E129-L177 HydrophobicContact CB-CD1 3.99Å; E129-L177 HydrophobicContact CB-CD2 3.65Å; E129-L177 HydrophobicContact CB-CG 4.07Å; E129-L177 HydrophobicContact CG-CD2 4.11Å; E129-L177 HydrophobicContact CG-CG 4.36Å | ||
| 130 | F | 94.1 | Very high | 93.7 | Very high | 58 Ų | 58 | 75 Ų | 75 | 25% | 0.254 | 43% | 0.432 | S | S | . | . | trans | -144.9 | 129.1 | 174.1 | 175.6 | -107.7 | 0 | 0 | 0 | 107.3 | Q122 D128 V132 V167 H175 | Q122-F130 HydrophobicContact CB-CD1 3.99Å; Q122-F130 HydrophobicContact CB-CD2 4.45Å; Q122-F130 HydrophobicContact CB-CE1 4.09Å; Q122-F130 HydrophobicContact CB-CG 4.18Å; Q122-F130 HydrophobicContact CB-CZ 4.38Å; D128-F130 PolarHBondContact O-N 2.94Å; F130-V132 HydrophobicContact CD1-CG2 4.35Å; F130-V132 HydrophobicContact CE1-CG2 3.43Å; F130-V132 VanDerWaalsContact CE1-CG2 3.43Å; F130-V132 HydrophobicContact CZ-CG2 3.8Å; F130-V167 HydrophobicContact CD1-CG1 4.12Å; F130-V167 WeakPolarHBondContact O-CG1 3.42Å; F130-H175 PolarHBondContact O-CE1 3.48Å | ||
| 131 | N | 93.9 | Very high | 93.8 | Very high | 70 Ų | 70 | 70.3 Ų | 70.3 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | trans | -131.3 | 127.8 | 175 | -69.5 | -64.9 | 0 | 0 | 0 | 107.7 | E129 E133 H175 | E129-N131 PolarHBondContact OE1-ND2 3.45Å; N131-E133 PolarHBondContact O-N 3.05Å; N131-H175 PolarHBondContact OD1-CE1 3.39Å; N131-H175 PolarHBondContact OD1-ND1 3.33Å | ||
| 132 | V | 93.4 | Very high | 94 | Very high | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 122.1 | 179.2 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | Y119 F130 A141 | Y119-V132 HydrophobicContact CD1-CG1 3.51Å; Y119-V132 HydrophobicContact CE1-CG1 4.02Å; Y119-V132 HydrophobicContact CG-CG1 4.28Å; F130-V132 HydrophobicContact CD1-CG2 4.35Å; F130-V132 HydrophobicContact CE1-CG2 3.43Å; F130-V132 VanDerWaalsContact CE1-CG2 3.43Å; F130-V132 HydrophobicContact CZ-CG2 3.8Å; V132-A141 HydrophobicContact CG1-CB 3.9Å |
| 133 | E | 93.1 | Very high | 94.1 | Very high | 162 Ų | 162 | 72.2 Ų | 72.2 | 76% | 0.757 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 155.2 | 171.9 | -62.4 | -171 | 168.2 | 0 | 0 | 110.8 | Y119 N131 | Y119-E133 WeakPolarHBondContact CE1-O 3.3Å; N131-E133 PolarHBondContact O-N 3.05Å |
| 134 | S | 93.9 | Very high | 94.3 | Very high | 75 Ų | 75 | 68.2 Ų | 68.2 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 144.3 | 175.7 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | Y119 A141 | Y119-S134 WeakPolarHBondContact OH-CA 3.49Å; S134-A141 PolarHBondContact OG-N 3.06Å; S134-A141 VanDerWaalsContact OG-N 3.07Å |
| 135 | V | 93.6 | Very high | 94.6 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 130.3 | -178.9 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | Y119 G137 Q138 | Y119-V135 HydrophobicContact CE1-CG2 4.08Å; Y119-V135 PolarHBondContact OH-N 2.96Å; V135-G137 PolarHBondContact O-N 2.97Å; V135-Q138 HydrophobicContact CB-CB 4.24Å; V135-Q138 HydrophobicContact CB-CG 4.34Å; V135-Q138 HydrophobicContact CG1-CG 4.14Å; V135-Q138 PolarHBondContact O-N 3.3Å; V135-Q138 VanDerWaalsContact O-N 3.16Å |
| 136 | D | 92.9 | Very high | 94.9 | Very high | 162 Ų | 162 | 66.1 Ų | 66.1 | 87% | 0.866 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 136 | -179.8 | -70.4 | -26.4 | 0 | 0 | 0 | 111.4 | Q138 | D136-Q138 PolarHBondContact O-N 2.71Š|
| 137 | G | 92.6 | Very high | 95.2 | Very high | 83 Ų | 83 | 63.9 Ų | 63.9 | 86% | 0.856 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -3.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V135 | V135-G137 PolarHBondContact O-N 2.97Š|
| 138 | Q | 95 | Very high | 95.4 | Very high | 105 Ų | 105 | 64.7 Ų | 64.7 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -108.8 | 163 | 173.7 | -63.7 | -63 | -25.7 | 0 | 0 | 111.5 | V118 V135 D136 G140 | V118-Q138 HydrophobicContact CG1-CB 3.87Å; V118-Q138 HydrophobicContact CG1-CG 4.02Å; V118-Q138 HydrophobicContact CG2-CG 4.49Å; V135-Q138 HydrophobicContact CB-CB 4.24Å; V135-Q138 HydrophobicContact CB-CG 4.34Å; V135-Q138 HydrophobicContact CG1-CG 4.14Å; V135-Q138 PolarHBondContact O-N 3.3Å; V135-Q138 VanDerWaalsContact O-N 3.16Å; D136-Q138 PolarHBondContact O-N 2.71Å; Q138-G140 PolarHBondContact O-N 3.27Å |
| 139 | P | 94.6 | Very high | 95.6 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 47% | 0.468 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -57 | 134.5 | 171.1 | -22.5 | 33.7 | 0 | 0 | 0 | 110.3 | M115 Y119 | M115-P139 HydrophobicContact SD-CB 3.96Å; Y119-P139 WeakPolarHBondContact CE2-O 3.02Å; Y119-P139 PolarHBondContact OH-O 2.88Å |
| 140 | G | 95.4 | Very high | 95.8 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 46% | 0.464 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 153.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q138 | Q138-G140 PolarHBondContact O-N 3.27Š|
| 141 | A | 96.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 139.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y119 V132 S134 T143 A172 | Y119-A141 HydrophobicContact CD1-CB 4.36Å; Y119-A141 HydrophobicContact CE1-CB 3.94Å; Y119-A141 HydrophobicContact CE2-CB 4.26Å; Y119-A141 PolarHBondContact OH-N 3.3Å; Y119-A141 VanDerWaalsContact OH-N 3.16Å; V132-A141 HydrophobicContact CG1-CB 3.9Å; S134-A141 PolarHBondContact OG-N 3.06Å; S134-A141 VanDerWaalsContact OG-N 3.07Å; A141-T143 PolarHBondContact O-N 3.13Å; A141-T143 PolarHBondContact O-OG1 3.35Å; A141-A172 HydrophobicContact CB-CB 4.01Å |
| 142 | F | 98.1 | Very high | 96.1 | Very high | 18 Ų | 18 | 67.8 Ų | 67.8 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | trans | -66.9 | 109 | -176.3 | -172 | -85.1 | 0 | 0 | 0 | 110.8 | Y49 I64 L109 L110 F113 M115 C144 L171 A172 | Y49-F142 HydrophobicContact CD1-CE2 4.49Å; Y49-F142 AromaticContact CD1-CZ 3.69Å; Y49-F142 HydrophobicContact CD1-CZ 3.69Å; Y49-F142 HydrophobicContact CD2-CE1 4.14Å; Y49-F142 AromaticContact CD2-CE2 3.89Å; Y49-F142 HydrophobicContact CD2-CE2 3.89Å; Y49-F142 AromaticContact CD2-CZ 3.45Å; Y49-F142 HydrophobicContact CD2-CZ 3.45Å; Y49-F142 VanDerWaalsContact CD2-CZ 3.45Å; Y49-F142 HydrophobicContact CE1-CE2 4.39Å; Y49-F142 AromaticContact CE1-CZ 3.99Å; Y49-F142 HydrophobicContact CE1-CZ 3.99Å; Y49-F142 AromaticContact CE2-CE2 3.77Å; Y49-F142 HydrophobicContact CE2-CE2 3.77Å; Y49-F142 AromaticContact CE2-CZ 3.77Å; Y49-F142 HydrophobicContact CE2-CZ 3.77Å; Y49-F142 AromaticContact CG-CE1 3.98Å; Y49-F142 HydrophobicContact CG-CE1 3.98Å; Y49-F142 HydrophobicContact CG-CE2 4.25Å; Y49-F142 AromaticContact CG-CZ 3.4Å; Y49-F142 HydrophobicContact CG-CZ 3.4Å; I64-F142 HydrophobicContact CG2-CE1 3.98Å; I64-F142 HydrophobicContact CG2-CZ 3.95Å; L109-F142 HydrophobicContact CD2-CD1 3.48Å; L109-F142 VanDerWaalsContact CD2-CD1 3.48Å; L109-F142 HydrophobicContact CD2-CD2 4.1Å; L109-F142 HydrophobicContact CD2-CE1 3.49Å; L109-F142 VanDerWaalsContact CD2-CE1 3.49Å; L109-F142 HydrophobicContact CD2-CE2 4.12Å; L109-F142 HydrophobicContact CD2-CG 3.79Å; L109-F142 HydrophobicContact CD2-CZ 3.82Å; L110-F142 HydrophobicContact CD2-CB 4.38Å; F113-F142 HydrophobicContact CD2-CD2 4.19Å; F113-F142 HydrophobicContact CD2-CE2 4.26Å; F113-F142 AromaticContact CE2-CD2 3.98Å; F113-F142 HydrophobicContact CE2-CD2 3.98Å; F113-F142 AromaticContact CE2-CE2 3.59Å; F113-F142 HydrophobicContact CE2-CE2 3.59Å; F113-F142 HydrophobicContact CE2-CZ 4.43Å; F113-F142 HydrophobicContact CZ-CE2 4.45Å; M115-F142 HydrophobicContact CE-CB 4.25Å; M115-F142 HydrophobicContact CE-CD2 4.42Å; F142-C144 HydrophobicContact CD1-CB 4.3Å; F142-C144 HydrophobicContact CE1-CB 3.91Å; F142-L171 HydrophobicContact CB-CD2 4.03Å; F142-L171 HydrophobicContact CD1-CD2 4.1Å; F142-L171 HydrophobicContact CG-CD2 4.38Å; F142-A172 PolarHBondContact O-N 2.89Å | ||
| 143 | T | 98 | Very high | 96.2 | Very high | 72 Ų | 72 | 69.8 Ų | 69.8 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -87.9 | 128.2 | -178.2 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | A141 A172 | A141-T143 PolarHBondContact O-N 3.13Å; A141-T143 PolarHBondContact O-OG1 3.35Å; T143-A172 WeakPolarHBondContact CA-O 3.37Å |
| 144 | C | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -148.2 | 163.3 | 171.8 | 75.3 | 0 | 0 | 0 | 0 | 113.2 | Y49 I64 F142 A172 I173 P174 | Y49-C144 WeakPolarHBondContact O-CA 3.45Å; I64-C144 HydrophobicContact CD1-CB 4.41Å; F142-C144 HydrophobicContact CD1-CB 4.3Å; F142-C144 HydrophobicContact CE1-CB 3.91Å; C144-A172 PolarHBondContact N-O 2.98Å; C144-I173 VanDerWaalsContact SG-CG1 3.59Å; C144-P174 WeakPolarHBondContact O-CD 3.44Å | ||
| 145 | Y | 98.4 | Very high | 96.5 | Very high | 88 Ų | 88 | 64.3 Ų | 64.3 | 35% | 0.345 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.6 | -175.6 | -52.2 | -75.6 | 0 | 0 | 0 | 112.2 | K48 Y49 R50 L51 D147 P174 | K48-Y145 HydrophobicContact CD-CE2 4.45Å; K48-Y145 HydrophobicContact CG-CD2 4.03Å; K48-Y145 HydrophobicContact CG-CE2 3.87Å; Y49-Y145 WeakPolarHBondContact O-CD2 3.46Å; Y49-Y145 PolarHBondContact O-N 3.47Å; R50-Y145 CarbonylContact C-O 3.57Å; R50-Y145 WeakPolarHBondContact CA-O 3.4Å; R50-Y145 WeakPolarHBondContact CB-O 3.34Å; L51-Y145 PolarHBondContact N-O 3.48Å; Y145-D147 PolarHBondContact O-N 3.46Å; Y145-P174 HydrophobicContact CD1-CG 3.78Å; Y145-P174 HydrophobicContact CE1-CG 3.89Å |
| 146 | L | 98.6 | Very high | 96.6 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 129.5 | 178.5 | -175.9 | 66 | 0 | 0 | 0 | 112.3 | L51 V53 V159 F160 L163 | L51-L146 HydrophobicContact CD2-CD1 4.32Å; L51-L146 HydrophobicContact CG-CD1 4.39Å; V53-L146 HydrophobicContact CG2-CD1 3.81Å; L146-V159 HydrophobicContact CD1-CG1 4.06Å; L146-V159 HydrophobicContact CD2-CG1 4Å; L146-V159 HydrophobicContact CG-CG1 4.44Å; L146-F160 HydrophobicContact CD2-CD1 4.13Å; L146-F160 HydrophobicContact CD2-CE1 3.82Å; L146-L163 HydrophobicContact CB-CD1 3.85Å; L146-L163 HydrophobicContact CD1-CB 4.4Å; L146-L163 HydrophobicContact CD1-CD1 4.18Å; L146-L163 HydrophobicContact CD2-CD1 3.7Å; L146-L163 HydrophobicContact CG-CD1 4.1Å |
| 147 | D | 98.4 | Very high | 96.8 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 96.4 | 165.5 | -176 | -20.7 | 0 | 0 | 0 | 109.2 | L36 R50 L51 I52 V53 R54 Y145 G149 | L36-D147 HydrophobicContact CD2-CB 3.41Å; L36-D147 VanDerWaalsContact CD2-CB 3.41Å; R50-D147 HydrophobicContact CB-CB 4.41Å; L51-D147 PolarHBondContact O-N 2.95Å; I52-D147 HydrophobicContact CG1-CB 4.16Å; V53-D147 PolarHBondContact N-O 3.3Å; R54-D147 IonicContact CZ-OD1 3.12Å; R54-D147 PolarHBondContact NH1-O 3.06Å; R54-D147 IonicContact NH1-OD1 4Å; R54-D147 PolarHBondContact NH1-OD1 3.03Å; R54-D147 VanDerWaalsContact NH2-CG 3.31Å; R54-D147 IonicContact NH2-OD1 3.44Å; R54-D147 PolarHBondContact NH2-OD1 3.47Å; R54-D147 IonicContact NH2-OD2 2.77Å; R54-D147 PolarHBondContact NH2-OD2 2.82Å; Y145-D147 PolarHBondContact O-N 3.46Å; D147-G149 VanDerWaalsContact C-N 3.29Å; D147-G149 WeakPolarHBondContact OD1-CA 3.27Å; D147-G149 PolarHBondContact OD1-N 2.71Å |
| 148 | A | 97.7 | Very high | 97.1 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | trans | -79.3 | -8.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R54 L150 A151 T153 V159 | R54-A148 VanDerWaalsContact NH1-C 3.34Å; A148-L150 PolarHBondContact O-N 2.85Å; A148-A151 WeakPolarHBondContact O-CB 3.45Å; A148-A151 PolarHBondContact O-N 3.29Å; A148-T153 HydrophobicContact CB-CG2 3.85Å; A148-V159 HydrophobicContact CB-CG1 4Å | ||
| 149 | G | 96.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | -120.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D147 | D147-G149 VanDerWaalsContact C-N 3.29Å; D147-G149 WeakPolarHBondContact OD1-CA 3.27Å; D147-G149 PolarHBondContact OD1-N 2.71Å |
| 150 | L | 97.6 | Very high | 97.4 | Very high | 91 Ų | 91 | 48.3 Ų | 48.3 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 2.8 | -179.8 | -64.2 | 174.6 | 0 | 0 | 0 | 112.9 | G26 D29 A148 R152 | G26-L150 WeakPolarHBondContact O-CD1 3.28Å; D29-L150 HydrophobicContact CB-CD2 3.71Å; A148-L150 PolarHBondContact O-N 2.85Å; L150-R152 PolarHBondContact O-N 2.97Å |
| 151 | A | 97.1 | Very high | 97.6 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | trans | -65.9 | 132.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A148 T153 V159 | A148-A151 WeakPolarHBondContact O-CB 3.45Å; A148-A151 PolarHBondContact O-N 3.29Å; A151-T153 PolarHBondContact O-N 3.08Å; A151-V159 HydrophobicContact CB-CG2 4.17Å | ||
| 152 | R | 97.2 | Very high | 97.7 | Very high | 206 Ų | 206 | 45.8 Ų | 45.8 | 78% | 0.777 | 25% | 0.249 | S | C | * | . | trans | -69.9 | 118.5 | 171.7 | -173.7 | -177.1 | -74.7 | -92.8 | -1.1 | 108.9 | L150 T154 N157 | L150-R152 PolarHBondContact O-N 2.97Å; R152-T154 VanDerWaalsContact C-N 3.26Å; R152-T154 HydrophobicContact CG-CG2 4.04Å; R152-T154 PolarHBondContact O-N 2.9Å; R152-N157 PolarHBondContact O-ND2 3.17Å | ||
| 153 | T | 96.6 | Very high | 97.7 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | trans | -84.8 | 60 | -175.4 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | A148 A151 F160 | A148-T153 HydrophobicContact CB-CG2 3.85Å; A151-T153 PolarHBondContact O-N 3.08Å; T153-F160 HydrophobicContact CG2-CE2 4.27Å; T153-F160 HydrophobicContact CG2-CZ 3.85Å | ||
| 154 | T | 96.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 41.7 Ų | 41.7 | 47% | 0.466 | 23% | 0.225 | S | C | . | . | trans | -74.1 | 161.4 | 168.9 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | R152 N157 | R152-T154 VanDerWaalsContact C-N 3.26Å; R152-T154 HydrophobicContact CG-CG2 4.04Å; R152-T154 PolarHBondContact O-N 2.9Å; T154-N157 WeakPolarHBondContact O-CB 3.44Å; T154-N157 PolarHBondContact O-N 2.68Å | ||
| 155 | T | 96.7 | Very high | 97.7 | Very high | 45 Ų | 45 | 41.7 Ų | 41.7 | 28% | 0.276 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 137.9 | 174.1 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | N157 K178 R179 F180 | T155-N157 VanDerWaalsContact C-N 3.35Å; T155-N157 PolarHBondContact O-N 3.23Å; T155-K178 PolarHBondContact OG1-O 3.43Å; T155-K178 VanDerWaalsContact OG1-O 3.07Å; T155-R179 WeakPolarHBondContact CA-O 3.39Å; T155-R179 PolarHBondContact OG1-NH1 2.93Å; T155-F180 WeakPolarHBondContact CG2-O 3.47Å |
| 156 | G | 95.4 | Very high | 97.7 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 32% | 0.32 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 3.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K158 R179 | G156-K158 PolarHBondContact O-N 3.45Å; G156-R179 PolarHBondContact N-O 3.45Å |
| 157 | N | 98.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 18% | 0.176 | 20% | 0.199 | C | C | . | . | trans | -65.8 | 134.2 | 178.1 | -167.9 | -42.5 | 0 | 0 | 0 | 111.3 | R152 T154 T155 V159 F160 | R152-N157 PolarHBondContact O-ND2 3.17Å; T154-N157 WeakPolarHBondContact O-CB 3.44Å; T154-N157 PolarHBondContact O-N 2.68Å; T155-N157 VanDerWaalsContact C-N 3.35Å; T155-N157 PolarHBondContact O-N 3.23Å; N157-V159 PolarHBondContact O-N 2.94Å; N157-V159 VanDerWaalsContact O-N 3.09Å; N157-V159 PolarHBondContact OD1-N 3.45Å; N157-F160 HydrophobicContact CB-CD2 3.9Å; N157-F160 HydrophobicContact CB-CE2 4.15Å; N157-F160 WeakPolarHBondContact O-CB 3.15Å; N157-F160 PolarHBondContact O-N 3.03Å | ||
| 158 | K | 98.2 | Very high | 97.7 | Very high | 73 Ų | 73 | 34.8 Ų | 34.8 | 32% | 0.317 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.5 | -22.6 | 178.3 | -65.5 | -179.2 | -70.5 | -173 | 0 | 114.5 | L55 T93 Y95 A98 G156 F160 G161 A162 | L55-K158 HydrophobicContact CD1-CB 3.78Å; L55-K158 HydrophobicContact CD2-CB 4.31Å; T93-K158 WeakPolarHBondContact O-CD 3.42Å; T93-K158 WeakPolarHBondContact O-CE 3.47Å; T93-K158 PolarHBondContact O-NZ 3.27Å; Y95-K158 HydrophobicContact CD2-CG 4.1Å; A98-K158 HydrophobicContact CB-CB 4.18Å; A98-K158 WeakPolarHBondContact CB-O 3.4Å; G156-K158 PolarHBondContact O-N 3.45Å; K158-F160 PolarHBondContact O-N 2.77Å; K158-G161 PolarHBondContact O-N 3.06Å; K158-A162 PolarHBondContact O-N 2.8Å |
| 159 | V | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.4 | -37.5 | 170.5 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | V53 L55 L146 A148 A151 N157 A162 L163 | V53-V159 HydrophobicContact CB-CG1 4.12Å; V53-V159 HydrophobicContact CG1-CB 4.42Å; V53-V159 HydrophobicContact CG1-CG1 4.28Å; V53-V159 HydrophobicContact CG1-CG2 4.24Å; L55-V159 HydrophobicContact CD1-CG2 3.89Å; L55-V159 HydrophobicContact CG-CG2 4.25Å; L146-V159 HydrophobicContact CD1-CG1 4.06Å; L146-V159 HydrophobicContact CD2-CG1 4Å; L146-V159 HydrophobicContact CG-CG1 4.44Å; A148-V159 HydrophobicContact CB-CG1 4Å; A151-V159 HydrophobicContact CB-CG2 4.17Å; N157-V159 PolarHBondContact O-N 2.94Å; N157-V159 VanDerWaalsContact O-N 3.09Å; N157-V159 PolarHBondContact OD1-N 3.45Å; V159-A162 PolarHBondContact O-N 2.98Å; V159-L163 PolarHBondContact O-N 3.23Å; V159-L163 VanDerWaalsContact O-N 3.13Å |
| 160 | F | 98.6 | Very high | 97.7 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 9% | 0.092 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.8 | -27.5 | 176.6 | -60.6 | -66.4 | 0 | 0 | 0 | 112.7 | L146 T153 N157 K158 A162 L163 K164 R179 F180 | L146-F160 HydrophobicContact CD2-CD1 4.13Å; L146-F160 HydrophobicContact CD2-CE1 3.82Å; T153-F160 HydrophobicContact CG2-CE2 4.27Å; T153-F160 HydrophobicContact CG2-CZ 3.85Å; N157-F160 HydrophobicContact CB-CD2 3.9Å; N157-F160 HydrophobicContact CB-CE2 4.15Å; N157-F160 WeakPolarHBondContact O-CB 3.15Å; N157-F160 PolarHBondContact O-N 3.03Å; K158-F160 PolarHBondContact O-N 2.77Å; F160-A162 VanDerWaalsContact C-N 3.34Å; F160-A162 PolarHBondContact O-N 3.06Å; F160-L163 WeakPolarHBondContact O-CB 3.19Å; F160-L163 PolarHBondContact O-N 3.39Å; F160-K164 PolarHBondContact O-N 3.44Å; F160-R179 HydrophobicContact CD1-CB 4.18Å; F160-R179 HydrophobicContact CD2-CB 3.75Å; F160-R179 HydrophobicContact CE1-CB 4.01Å; F160-R179 HydrophobicContact CE1-CG 4.42Å; F160-R179 HydrophobicContact CE2-CB 3.56Å; F160-R179 HydrophobicContact CE2-CG 4.09Å; F160-R179 HydrophobicContact CG-CB 4.06Å; F160-R179 HydrophobicContact CZ-CB 3.7Å; F160-R179 HydrophobicContact CZ-CG 3.91Å; F160-F180 HydrophobicContact CB-CD1 3.85Å; F160-F180 HydrophobicContact CB-CE1 3.81Å; F160-F180 WeakPolarHBondContact O-CE1 3.47Å |
| 161 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y95 Y99 K158 L163 K164 G165 | Y95-G161 WeakPolarHBondContact OH-CA 3.44Å; Y95-G161 PolarHBondContact OH-N 3.05Å; Y99-G161 VanDerWaalsContact CA-O 3.3Å; Y99-G161 WeakPolarHBondContact CA-O 3.49Å; K158-G161 PolarHBondContact O-N 3.06Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 2.77Å; G161-K164 PolarHBondContact O-N 3.41Å; G161-G165 PolarHBondContact O-N 3.15Å |
| 162 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -35.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V53 A98 G102 K158 V159 F160 A166 | V53-A162 HydrophobicContact CG1-CB 3.84Å; V53-A162 HydrophobicContact CG2-CB 4.03Å; A98-A162 HydrophobicContact CB-CB 4.4Å; A98-A162 VanDerWaalsContact O-CA 3.25Å; A98-A162 WeakPolarHBondContact O-CA 3.37Å; A98-A162 WeakPolarHBondContact O-CB 3.32Å; G102-A162 WeakPolarHBondContact CA-O 3.47Å; K158-A162 PolarHBondContact O-N 2.8Å; V159-A162 PolarHBondContact O-N 2.98Å; F160-A162 VanDerWaalsContact C-N 3.34Å; F160-A162 PolarHBondContact O-N 3.06Å; A162-A166 WeakPolarHBondContact O-CB 3.32Å; A162-A166 PolarHBondContact O-N 3.45Å |
| 163 | L | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -49.5 | 172 | 175.1 | 137.1 | 0 | 0 | 0 | 111.2 | L146 V159 F160 G161 G165 A166 V167 I173 H175 F180 | L146-L163 HydrophobicContact CB-CD1 3.85Å; L146-L163 HydrophobicContact CD1-CB 4.4Å; L146-L163 HydrophobicContact CD1-CD1 4.18Å; L146-L163 HydrophobicContact CD2-CD1 3.7Å; L146-L163 HydrophobicContact CG-CD1 4.1Å; V159-L163 PolarHBondContact O-N 3.23Å; V159-L163 VanDerWaalsContact O-N 3.13Å; F160-L163 WeakPolarHBondContact O-CB 3.19Å; F160-L163 PolarHBondContact O-N 3.39Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 2.77Å; L163-G165 PolarHBondContact O-N 3.28Å; L163-A166 WeakPolarHBondContact O-CB 3.46Å; L163-A166 PolarHBondContact O-N 3.25Å; L163-A166 VanDerWaalsContact O-N 3.13Å; L163-V167 HydrophobicContact CD2-CG2 4.36Å; L163-V167 HydrophobicContact CG-CG2 4.48Å; L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 2.82Å; L163-I173 HydrophobicContact CD1-CG2 3.74Å; L163-I173 HydrophobicContact CG-CG2 4.32Å; L163-H175 HydrophobicContact CD1-CB 4.32Å; L163-H175 HydrophobicContact CD2-CB 3.85Å; L163-F180 HydrophobicContact CD2-CE1 3.98Å; L163-F180 HydrophobicContact CD2-CZ 3.62Å |
| 164 | K | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | -179.4 | -176.6 | 58 | 174 | 157.1 | 0 | 111.5 | Y99 D128 F160 G161 A166 V167 D168 F180 I199 | Y99-K164 HydrophobicContact CD2-CB 4.27Å; Y99-K164 HydrophobicContact CD2-CG 4.22Å; Y99-K164 HydrophobicContact CE2-CB 4.4Å; Y99-K164 HydrophobicContact CE2-CG 3.92Å; D128-K164 VanDerWaalsContact O-CE 3.3Å; D128-K164 WeakPolarHBondContact O-CE 3.45Å; D128-K164 PolarHBondContact O-NZ 2.9Å; F160-K164 PolarHBondContact O-N 3.44Å; G161-K164 PolarHBondContact O-N 3.41Å; K164-A166 VanDerWaalsContact C-N 3.28Å; K164-A166 PolarHBondContact O-N 3.31Å; K164-V167 PolarHBondContact O-N 3.05Å; K164-D168 WeakPolarHBondContact CD-OD1 3.4Å; K164-D168 WeakPolarHBondContact CE-OD1 3.27Å; K164-D168 WeakPolarHBondContact CE-OD2 3.26Å; K164-D168 IonicContact NZ-OD1 2.75Å; K164-D168 PolarHBondContact NZ-OD1 3.39Å; K164-D168 IonicContact NZ-OD2 3.77Å; K164-D168 WeakPolarHBondContact O-CB 3.43Å; K164-D168 PolarHBondContact O-N 3.37Å; K164-F180 HydrophobicContact CB-CE1 3.72Å; K164-F180 HydrophobicContact CB-CZ 4.04Å; K164-F180 HydrophobicContact CD-CZ 4.29Å; K164-F180 HydrophobicContact CG-CE1 4.48Å; K164-I199 HydrophobicContact CG-CD1 4.33Å |
| 165 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y99 L103 G161 L163 G169 | Y99-G165 VanDerWaalsContact CD2-CA 3.47Å; Y99-G165 VanDerWaalsContact CE2-CA 3.49Å; L103-G165 WeakPolarHBondContact CA-O 3.3Å; L103-G165 PolarHBondContact N-O 2.85Å; G161-G165 PolarHBondContact O-N 3.15Å; L163-G165 PolarHBondContact O-N 3.28Å; G165-G169 PolarHBondContact O-N 2.92Å |
| 166 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.4 | -36.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L51 A106 A162 L163 K164 G169 L171 I173 | L51-A166 HydrophobicContact CD2-CB 3.79Å; A106-A166 HydrophobicContact CB-CB 4.49Å; A106-A166 WeakPolarHBondContact CB-O 3.22Å; A162-A166 WeakPolarHBondContact O-CB 3.32Å; A162-A166 PolarHBondContact O-N 3.45Å; L163-A166 WeakPolarHBondContact O-CB 3.46Å; L163-A166 PolarHBondContact O-N 3.25Å; L163-A166 VanDerWaalsContact O-N 3.13Å; K164-A166 VanDerWaalsContact C-N 3.28Å; K164-A166 PolarHBondContact O-N 3.31Å; A166-G169 PolarHBondContact O-N 3.34Å; A166-L171 HydrophobicContact CB-CD1 4.26Å; A166-L171 WeakPolarHBondContact O-CB 3.29Å; A166-L171 PolarHBondContact O-N 2.84Å; A166-I173 HydrophobicContact CB-CD1 3.83Å |
| 167 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.8 | -53.4 | 174.3 | 166.2 | 0 | 0 | 0 | 0 | 110.8 | F130 L163 K164 G169 G170 I173 | F130-V167 HydrophobicContact CD1-CG1 4.12Å; F130-V167 WeakPolarHBondContact O-CG1 3.42Å; L163-V167 HydrophobicContact CD2-CG2 4.36Å; L163-V167 HydrophobicContact CG-CG2 4.48Å; L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 2.82Å; K164-V167 PolarHBondContact O-N 3.05Å; V167-G169 PolarHBondContact O-N 3.31Å; V167-G169 VanDerWaalsContact O-N 3.12Å; V167-G170 PolarHBondContact O-N 3.02Å; V167-I173 HydrophobicContact CG2-CB 3.82Å; V167-I173 HydrophobicContact CG2-CD1 4.32Å; V167-I173 HydrophobicContact CG2-CG1 4.18Å |
| 168 | D | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -19.5 | 178.1 | -65.9 | -4.1 | 0 | 0 | 0 | 112.2 | Y99 G121 Q122 K164 G170 | Y99-D168 HydrophobicContact CE2-CB 4.41Å; Y99-D168 VanDerWaalsContact CE2-OD2 3.23Å; Y99-D168 WeakPolarHBondContact CE2-OD2 3.48Å; Y99-D168 VanDerWaalsContact OH-CB 3.32Å; Y99-D168 WeakPolarHBondContact OH-CB 3.31Å; Y99-D168 PolarHBondContact OH-OD2 3.15Å; G121-D168 CarbonylContact C-O 3.46Å; G121-D168 WeakPolarHBondContact CA-O 3.22Å; Q122-D168 HydrophobicContact CB-CB 4.26Å; Q122-D168 PolarHBondContact N-O 2.97Å; K164-D168 WeakPolarHBondContact CD-OD1 3.4Å; K164-D168 WeakPolarHBondContact CE-OD1 3.27Å; K164-D168 WeakPolarHBondContact CE-OD2 3.26Å; K164-D168 IonicContact NZ-OD1 2.75Å; K164-D168 PolarHBondContact NZ-OD1 3.39Å; K164-D168 IonicContact NZ-OD2 3.77Å; K164-D168 WeakPolarHBondContact O-CB 3.43Å; K164-D168 PolarHBondContact O-N 3.37Å; D168-G170 VanDerWaalsContact C-N 3.32Å |
| 169 | G | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R107 L110 G165 A166 V167 | R107-G169 WeakPolarHBondContact CD-O 3.47Å; L110-G169 WeakPolarHBondContact CD1-O 3.49Å; G165-G169 PolarHBondContact O-N 2.92Å; A166-G169 PolarHBondContact O-N 3.34Å; V167-G169 PolarHBondContact O-N 3.31Å; V167-G169 VanDerWaalsContact O-N 3.12Å |
| 170 | G | 96.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111.6 | 6.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V167 D168 | V167-G170 PolarHBondContact O-N 3.02Å; D168-G170 VanDerWaalsContact C-N 3.32Å |
| 171 | L | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -89.3 | 138.3 | 177.9 | -55.7 | -171.7 | 0 | 0 | 0 | 112 | I64 A106 L109 L110 F142 A166 I173 | I64-L171 HydrophobicContact CD1-CD1 4.21Å; A106-L171 HydrophobicContact CB-CD1 3.99Å; A106-L171 HydrophobicContact CB-CD2 4.33Å; A106-L171 HydrophobicContact CB-CG 3.7Å; L109-L171 HydrophobicContact CD2-CD1 4.24Å; L109-L171 HydrophobicContact CD2-CD2 3.75Å; L110-L171 HydrophobicContact CD2-CD2 4.08Å; L110-L171 HydrophobicContact CG-CD2 4.14Å; F142-L171 HydrophobicContact CB-CD2 4.03Å; F142-L171 HydrophobicContact CD1-CD2 4.1Å; F142-L171 HydrophobicContact CG-CD2 4.38Å; A166-L171 HydrophobicContact CB-CD1 4.26Å; A166-L171 WeakPolarHBondContact O-CB 3.29Å; A166-L171 PolarHBondContact O-N 2.84Å; L171-I173 HydrophobicContact CB-CD1 4.21Å; L171-I173 HydrophobicContact CB-CG1 3.99Å; L171-I173 PolarHBondContact O-N 3.34Å | ||
| 172 | A | 97.9 | Very high | 97.5 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 16% | 0.157 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -81.1 | 97.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A141 F142 T143 C144 | A141-A172 HydrophobicContact CB-CB 4.01Å; F142-A172 PolarHBondContact O-N 2.89Å; T143-A172 WeakPolarHBondContact CA-O 3.37Å; C144-A172 PolarHBondContact N-O 2.98Å |
| 173 | I | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | -120.4 | 114.6 | 178 | -50 | -174.1 | 0 | 0 | 0 | 108.7 | L51 C144 L163 A166 V167 L171 H175 | L51-I173 HydrophobicContact CD2-CD1 3.59Å; C144-I173 VanDerWaalsContact SG-CG1 3.59Å; L163-I173 HydrophobicContact CD1-CG2 3.74Å; L163-I173 HydrophobicContact CG-CG2 4.32Å; A166-I173 HydrophobicContact CB-CD1 3.83Å; V167-I173 HydrophobicContact CG2-CB 3.82Å; V167-I173 HydrophobicContact CG2-CD1 4.32Å; V167-I173 HydrophobicContact CG2-CG1 4.18Å; L171-I173 HydrophobicContact CB-CD1 4.21Å; L171-I173 HydrophobicContact CB-CG1 3.99Å; L171-I173 PolarHBondContact O-N 3.34Å; I173-H175 PolarHBondContact O-N 3.3Å; I173-H175 PolarHBondContact O-ND1 3.12Å | ||
| 174 | P | 97.8 | Very high | 97.2 | Very high | 86 Ų | 86 | 29 Ų | 29 | 56% | 0.558 | 16% | 0.155 | S | C | * | . | trans | -67.6 | 125.1 | 179 | 27.1 | -32.8 | 0 | 0 | 0 | 110.2 | C144 Y145 | C144-P174 WeakPolarHBondContact O-CD 3.44Å; Y145-P174 HydrophobicContact CD1-CG 3.78Å; Y145-P174 HydrophobicContact CE1-CG 3.89Å | ||
| 175 | H | 97.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 18% | 0.181 | 18% | 0.183 | C | C | . | . | trans | -152.3 | 178.7 | -178 | 67.5 | -75.6 | 0 | 0 | 0 | 111.6 | F130 N131 L163 I173 F180 | F130-H175 PolarHBondContact O-CE1 3.48Å; N131-H175 PolarHBondContact OD1-CE1 3.39Å; N131-H175 PolarHBondContact OD1-ND1 3.33Å; L163-H175 HydrophobicContact CD1-CB 4.32Å; L163-H175 HydrophobicContact CD2-CB 3.85Å; I173-H175 PolarHBondContact O-N 3.3Å; I173-H175 PolarHBondContact O-ND1 3.12Å; H175-F180 AromaticContact CD2-CE2 3.61Å; H175-F180 AromaticContact CD2-CZ 3.65Å | ||
| 176 | S | 96.3 | Very high | 96.7 | Very high | 64 Ų | 64 | 42 Ų | 42 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | trans | -141.5 | 152.2 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 108.7 | K178 | S176-K178 PolarHBondContact O-N 2.91Š| ||
| 177 | L | 95.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -65.9 | -17.4 | -176 | -59.2 | 169.9 | 0 | 0 | 0 | 115 | E129 R179 F180 F190 | E129-L177 HydrophobicContact CB-CD1 3.99Å; E129-L177 HydrophobicContact CB-CD2 3.65Å; E129-L177 HydrophobicContact CB-CG 4.07Å; E129-L177 HydrophobicContact CG-CD2 4.11Å; E129-L177 HydrophobicContact CG-CG 4.36Å; L177-R179 PolarHBondContact O-N 2.93Å; L177-F180 HydrophobicContact CB-CD2 4.49Å; L177-F180 HydrophobicContact CD2-CD2 4.01Å; L177-F180 HydrophobicContact CD2-CE2 4.11Å; L177-F180 PolarHBondContact O-N 3.25Å; L177-F180 VanDerWaalsContact O-N 3.09Å; L177-F190 HydrophobicContact CB-CB 4.36Å; L177-F190 HydrophobicContact CB-CD1 4.31Å; L177-F190 HydrophobicContact CB-CD2 4.17Å; L177-F190 HydrophobicContact CB-CG 4.01Å; L177-F190 HydrophobicContact CD1-CB 4.22Å; L177-F190 HydrophobicContact CD1-CD1 3.71Å; L177-F190 HydrophobicContact CD1-CE1 4.33Å; L177-F190 HydrophobicContact CD1-CG 4.04Å; L177-F190 HydrophobicContact CD2-CD1 4.17Å; L177-F190 HydrophobicContact CD2-CE1 3.96Å; L177-F190 HydrophobicContact CD2-CZ 4.28Å; L177-F190 HydrophobicContact CG-CD1 4.29Å; L177-F190 HydrophobicContact CG-CG 4.47Å |
| 178 | K | 96.7 | Very high | 96.3 | Very high | 116 Ų | 116 | 52.2 Ų | 52.2 | 50% | 0.504 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -56.9 | -19.1 | -170.8 | -63.9 | -174.8 | 177.4 | 179.1 | 0 | 116.1 | T155 S176 Y183 | T155-K178 PolarHBondContact OG1-O 3.43Å; T155-K178 VanDerWaalsContact OG1-O 3.07Å; S176-K178 PolarHBondContact O-N 2.91Å; K178-Y183 HydrophobicContact CB-CD1 4.36Å; K178-Y183 HydrophobicContact CB-CD2 4.48Å; K178-Y183 HydrophobicContact CB-CE1 4.2Å; K178-Y183 HydrophobicContact CB-CE2 4.31Å; K178-Y183 HydrophobicContact CB-CG 4.49Å; K178-Y183 HydrophobicContact CG-CD2 4.36Å; K178-Y183 HydrophobicContact CG-CE1 4.25Å; K178-Y183 HydrophobicContact CG-CE2 3.79Å; K178-Y183 WeakPolarHBondContact O-CD1 3.35Å |
| 179 | R | 96.8 | Very high | 96.1 | Very high | 115 Ų | 115 | 58.9 Ų | 58.9 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -108.5 | -1.9 | -175.2 | -61.7 | -58.3 | -179.3 | -162.1 | -0.3 | 114.1 | T155 G156 F160 L177 | T155-R179 WeakPolarHBondContact CA-O 3.39Å; T155-R179 PolarHBondContact OG1-NH1 2.93Å; G156-R179 PolarHBondContact N-O 3.45Å; F160-R179 HydrophobicContact CD1-CB 4.18Å; F160-R179 HydrophobicContact CD2-CB 3.75Å; F160-R179 HydrophobicContact CE1-CB 4.01Å; F160-R179 HydrophobicContact CE1-CG 4.42Å; F160-R179 HydrophobicContact CE2-CB 3.56Å; F160-R179 HydrophobicContact CE2-CG 4.09Å; F160-R179 HydrophobicContact CG-CB 4.06Å; F160-R179 HydrophobicContact CZ-CB 3.7Å; F160-R179 HydrophobicContact CZ-CG 3.91Å; L177-R179 PolarHBondContact O-N 2.93Å |
| 180 | F | 97.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -80.6 | 153.1 | 174.1 | -63.5 | -55.5 | 0 | 0 | 0 | 112 | T155 F160 L163 K164 H175 L177 Y183 F190 H195 | T155-F180 WeakPolarHBondContact CG2-O 3.47Å; F160-F180 HydrophobicContact CB-CD1 3.85Å; F160-F180 HydrophobicContact CB-CE1 3.81Å; F160-F180 WeakPolarHBondContact O-CE1 3.47Å; L163-F180 HydrophobicContact CD2-CE1 3.98Å; L163-F180 HydrophobicContact CD2-CZ 3.62Å; K164-F180 HydrophobicContact CB-CE1 3.72Å; K164-F180 HydrophobicContact CB-CZ 4.04Å; K164-F180 HydrophobicContact CD-CZ 4.29Å; K164-F180 HydrophobicContact CG-CE1 4.48Å; H175-F180 AromaticContact CD2-CE2 3.61Å; H175-F180 AromaticContact CD2-CZ 3.65Å; L177-F180 HydrophobicContact CB-CD2 4.49Å; L177-F180 HydrophobicContact CD2-CD2 4.01Å; L177-F180 HydrophobicContact CD2-CE2 4.11Å; L177-F180 PolarHBondContact O-N 3.25Å; L177-F180 VanDerWaalsContact O-N 3.09Å; F180-Y183 PolarHBondContact O-N 2.9Å; F180-F190 HydrophobicContact CB-CE2 3.88Å; F180-F190 HydrophobicContact CB-CZ 4.41Å; F180-H195 AromaticContact CD1-CE1 3.64Å; F180-H195 AromaticContact CD1-NE2 3.6Å; F180-H195 AromaticContact CD2-CE1 3.93Å; F180-H195 AromaticContact CG-CE1 3.52Å; F180-H195 AromaticContact CG-NE2 3.78Å |
| 181 | P | 96.7 | Very high | 96 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 7% | 0.065 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 139.4 | 164 | -15.5 | 26.1 | 0 | 0 | 0 | 110.1 | Y95 H195 H198 | Y95-P181 HydrophobicContact CD2-CG 4.21Å; Y95-P181 HydrophobicContact CE1-CG 4.31Å; Y95-P181 HydrophobicContact CE2-CG 3.63Å; Y95-P181 VanDerWaalsContact OH-CD 3.29Å; Y95-P181 WeakPolarHBondContact OH-CD 3.35Å; P181-H195 WeakPolarHBondContact O-CA 3.46Å; P181-H195 VanDerWaalsContact O-CB 3.28Å; P181-H195 WeakPolarHBondContact O-CB 3.38Å; P181-H198 HydrophobicContact CB-CB 4.19Å; P181-H198 HydrophobicContact CG-CB 4.08Å |
| 182 | G | 94.9 | Very high | 96 | Very high | 23 Ų | 23 | 65.6 Ų | 65.6 | 24% | 0.237 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N191 | G182-N191 PolarHBondContact O-N 3.14Š|
| 183 | Y | 96.8 | Very high | 95.9 | Very high | 41 Ų | 41 | 71.1 Ų | 71.1 | 16% | 0.161 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -82.1 | 122.6 | 167.4 | -175.7 | -95.8 | 0 | 0 | 0 | 110.7 | K178 F180 T185 F190 | K178-Y183 HydrophobicContact CB-CD1 4.36Å; K178-Y183 HydrophobicContact CB-CD2 4.48Å; K178-Y183 HydrophobicContact CB-CE1 4.2Å; K178-Y183 HydrophobicContact CB-CE2 4.31Å; K178-Y183 HydrophobicContact CB-CG 4.49Å; K178-Y183 HydrophobicContact CG-CD2 4.36Å; K178-Y183 HydrophobicContact CG-CE1 4.25Å; K178-Y183 HydrophobicContact CG-CE2 3.79Å; K178-Y183 WeakPolarHBondContact O-CD1 3.35Å; F180-Y183 PolarHBondContact O-N 2.9Å; Y183-T185 HydrophobicContact CD1-CG2 4.37Å; Y183-T185 HydrophobicContact CE1-CG2 4.22Å; Y183-F190 HydrophobicContact CD2-CB 4.24Å |
| 184 | D | 95.1 | Very high | 95.8 | Very high | 65 Ų | 65 | 73.4 Ų | 73.4 | 35% | 0.348 | 38% | 0.379 | S | S | . | . | trans | -94.5 | 129.5 | 172.7 | 174.6 | 30.7 | 0 | 0 | 0 | 110.9 | E186 S187 K188 E189 | D184-E186 PolarHBondContact OD1-N 2.96Å; D184-E186 VanDerWaalsContact OD1-N 3.1Å; D184-S187 WeakPolarHBondContact CB-OG 3.49Å; D184-S187 VanDerWaalsContact CG-OG 3.31Å; D184-S187 VanDerWaalsContact OD2-CB 3.24Å; D184-S187 WeakPolarHBondContact OD2-CB 3.25Å; D184-S187 PolarHBondContact OD2-N 3Å; D184-S187 PolarHBondContact OD2-OG 3.48Å; D184-K188 WeakPolarHBondContact O-CA 3.4Å; D184-K188 PolarHBondContact O-N 3.09Å; D184-E189 PolarHBondContact N-O 3.26Å | ||
| 185 | T | 91.9 | Very high | 95.8 | Very high | 97 Ų | 97 | 69.3 Ų | 69.3 | 60% | 0.595 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -24.4 | -178.7 | 47.2 | 0 | 0 | 0 | 0 | 113.5 | Y183 | Y183-T185 HydrophobicContact CD1-CG2 4.37Å; Y183-T185 HydrophobicContact CE1-CG2 4.22Å |
| 186 | E | 93.1 | Very high | 95.8 | Very high | 175 Ų | 175 | 72.4 Ų | 72.4 | 82% | 0.818 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -57.2 | -177.3 | -64.4 | -177.3 | -175.4 | 0 | 0 | 110.9 | D184 K188 | D184-E186 PolarHBondContact OD1-N 2.96Å; D184-E186 VanDerWaalsContact OD1-N 3.1Å; E186-K188 VanDerWaalsContact C-N 3.29Å; E186-K188 PolarHBondContact O-N 3.11Å |
| 187 | S | 94.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 74.7 Ų | 74.7 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -22.8 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | D184 E189 | D184-S187 WeakPolarHBondContact CB-OG 3.49Å; D184-S187 VanDerWaalsContact CG-OG 3.31Å; D184-S187 VanDerWaalsContact OD2-CB 3.24Å; D184-S187 WeakPolarHBondContact OD2-CB 3.25Å; D184-S187 PolarHBondContact OD2-N 3Å; D184-S187 PolarHBondContact OD2-OG 3.48Å; S187-E189 PolarHBondContact O-N 2.95Å; S187-E189 PolarHBondContact OG-N 3.12Å |
| 188 | K | 94.2 | Very high | 96 | Very high | 156 Ų | 156 | 75.7 Ų | 75.7 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | trans | 62.6 | 21.5 | -171.1 | -53.6 | 171.8 | -175.9 | 164.5 | 0 | 113.4 | D184 E186 | D184-K188 WeakPolarHBondContact O-CA 3.4Å; D184-K188 PolarHBondContact O-N 3.09Å; E186-K188 VanDerWaalsContact C-N 3.29Å; E186-K188 PolarHBondContact O-N 3.11Å | ||
| 189 | E | 94.9 | Very high | 96.1 | Very high | 141 Ų | 141 | 70.2 Ų | 70.2 | 66% | 0.659 | 34% | 0.344 | S | S | * | . | trans | -98 | 154.8 | 178.1 | -64.8 | -179.7 | 176.4 | 0 | 0 | 111.3 | D184 S187 | D184-E189 PolarHBondContact N-O 3.26Å; S187-E189 PolarHBondContact O-N 2.95Å; S187-E189 PolarHBondContact OG-N 3.12Å | ||
| 190 | F | 96.1 | Very high | 96.1 | Very high | 44 Ų | 44 | 65.1 Ų | 65.1 | 19% | 0.193 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -116.9 | 122.8 | 178.2 | 177.1 | -109.2 | 0 | 0 | 0 | 110.3 | G127 L177 F180 Y183 A192 H195 | G127-F190 WeakPolarHBondContact O-CE1 3.38Å; G127-F190 WeakPolarHBondContact O-CZ 3.3Å; L177-F190 HydrophobicContact CB-CB 4.36Å; L177-F190 HydrophobicContact CB-CD1 4.31Å; L177-F190 HydrophobicContact CB-CD2 4.17Å; L177-F190 HydrophobicContact CB-CG 4.01Å; L177-F190 HydrophobicContact CD1-CB 4.22Å; L177-F190 HydrophobicContact CD1-CD1 3.71Å; L177-F190 HydrophobicContact CD1-CE1 4.33Å; L177-F190 HydrophobicContact CD1-CG 4.04Å; L177-F190 HydrophobicContact CD2-CD1 4.17Å; L177-F190 HydrophobicContact CD2-CE1 3.96Å; L177-F190 HydrophobicContact CD2-CZ 4.28Å; L177-F190 HydrophobicContact CG-CD1 4.29Å; L177-F190 HydrophobicContact CG-CG 4.47Å; F180-F190 HydrophobicContact CB-CE2 3.88Å; F180-F190 HydrophobicContact CB-CZ 4.41Å; Y183-F190 HydrophobicContact CD2-CB 4.24Å; F190-A192 HydrophobicContact CD1-CB 4.45Å; F190-A192 HydrophobicContact CE1-CB 3.89Å; F190-H195 HydrophobicContact CE2-CB 4.1Å; F190-H195 HydrophobicContact CZ-CB 3.65Å; F190-H195 AromaticContact CZ-CG 3.92Å; F190-H195 AromaticContact CZ-ND1 3.6Å |
| 191 | N | 96.6 | Very high | 96.1 | Very high | 72 Ų | 72 | 65.1 Ų | 65.1 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | trans | -98.3 | 103.5 | 173.6 | -173 | -41.2 | 0 | 0 | 0 | 110.5 | G182 E193 V194 H195 | G182-N191 PolarHBondContact O-N 3.14Å; N191-E193 VanDerWaalsContact C-N 3.29Å; N191-E193 PolarHBondContact O-N 2.84Å; N191-E193 WeakPolarHBondContact OD1-CA 3.44Å; N191-E193 WeakPolarHBondContact OD1-CB 3.5Å; N191-E193 PolarHBondContact OD1-N 2.98Å; N191-V194 HydrophobicContact CB-CB 4.34Å; N191-V194 HydrophobicContact CB-CG2 4.1Å; N191-V194 PolarHBondContact O-N 2.79Å; N191-V194 PolarHBondContact OD1-N 3.06Å; N191-H195 PolarHBondContact O-N 2.91Å | ||
| 192 | A | 96.6 | Very high | 96.1 | Very high | 24 Ų | 24 | 67.1 Ų | 67.1 | 20% | 0.198 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -31.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D128 F190 H195 R196 | D128-A192 HydrophobicContact CB-CB 4.03Å; F190-A192 HydrophobicContact CD1-CB 4.45Å; F190-A192 HydrophobicContact CE1-CB 3.89Å; A192-H195 WeakPolarHBondContact O-CB 3.29Å; A192-H195 PolarHBondContact O-N 3.08Å; A192-R196 WeakPolarHBondContact O-CB 3.38Å; A192-R196 PolarHBondContact O-N 3.31Å |
| 193 | E | 96.4 | Very high | 96.2 | Very high | 135 Ų | 135 | 68.9 Ų | 68.9 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.4 | -41.5 | 179 | -56.8 | -173.4 | 162.4 | 0 | 0 | 111.6 | N191 H195 R196 K197 | N191-E193 VanDerWaalsContact C-N 3.29Å; N191-E193 PolarHBondContact O-N 2.84Å; N191-E193 WeakPolarHBondContact OD1-CA 3.44Å; N191-E193 WeakPolarHBondContact OD1-CB 3.5Å; N191-E193 PolarHBondContact OD1-N 2.98Å; E193-H195 VanDerWaalsContact C-N 3.29Å; E193-H195 PolarHBondContact O-N 2.81Å; E193-R196 PolarHBondContact O-N 2.91Å; E193-K197 WeakPolarHBondContact O-CG 3.45Å; E193-K197 PolarHBondContact O-N 3.18Å |
| 194 | V | 96.6 | Very high | 96.2 | Very high | 52 Ų | 52 | 68.3 Ų | 68.3 | 32% | 0.315 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 174.9 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | N191 K197 H198 | N191-V194 HydrophobicContact CB-CB 4.34Å; N191-V194 HydrophobicContact CB-CG2 4.1Å; N191-V194 PolarHBondContact O-N 2.79Å; N191-V194 PolarHBondContact OD1-N 3.06Å; V194-K197 PolarHBondContact O-N 3.48Å; V194-H198 PolarHBondContact O-N 3.48Å; V194-H198 PolarHBondContact O-ND1 2.77Å |
| 195 | H | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 175.2 | -172.4 | -160.3 | 0 | 0 | 0 | 111.6 | Y95 G127 F180 P181 F190 N191 A192 E193 K197 H198 I199 | Y95-H195 AromaticContact CZ-NE2 3.94Å; Y95-H195 PolarHBondContact OH-NE2 3.28Å; G127-H195 PolarHBondContact O-ND1 3.39Å; F180-H195 AromaticContact CD1-CE1 3.64Å; F180-H195 AromaticContact CD1-NE2 3.6Å; F180-H195 AromaticContact CD2-CE1 3.93Å; F180-H195 AromaticContact CG-CE1 3.52Å; F180-H195 AromaticContact CG-NE2 3.78Å; P181-H195 WeakPolarHBondContact O-CA 3.46Å; P181-H195 VanDerWaalsContact O-CB 3.28Å; P181-H195 WeakPolarHBondContact O-CB 3.38Å; F190-H195 HydrophobicContact CE2-CB 4.1Å; F190-H195 HydrophobicContact CZ-CB 3.65Å; F190-H195 AromaticContact CZ-CG 3.92Å; F190-H195 AromaticContact CZ-ND1 3.6Å; N191-H195 PolarHBondContact O-N 2.91Å; A192-H195 WeakPolarHBondContact O-CB 3.29Å; A192-H195 PolarHBondContact O-N 3.08Å; E193-H195 VanDerWaalsContact C-N 3.29Å; E193-H195 PolarHBondContact O-N 2.81Å; H195-K197 VanDerWaalsContact C-N 3.33Å; H195-K197 PolarHBondContact O-N 3.19Å; H195-H198 WeakPolarHBondContact O-CB 3.39Å; H195-H198 PolarHBondContact O-N 2.75Å; H195-I199 WeakPolarHBondContact O-CG1 3.36Å; H195-I199 PolarHBondContact O-N 3.03Å |
| 196 | R | 97.4 | Very high | 96.5 | Very high | 104 Ų | 104 | 65.3 Ų | 65.3 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 176.6 | -173.9 | 178.9 | 176.8 | -117.5 | -1.2 | 112.1 | V125 T126 A192 E193 H198 I199 M200 | V125-R196 WeakPolarHBondContact O-CD 3.27Å; V125-R196 PolarHBondContact O-NE 3.48Å; T126-R196 WeakPolarHBondContact O-CB 3.42Å; A192-R196 WeakPolarHBondContact O-CB 3.38Å; A192-R196 PolarHBondContact O-N 3.31Å; E193-R196 PolarHBondContact O-N 2.91Å; R196-H198 VanDerWaalsContact C-N 3.28Å; R196-H198 PolarHBondContact O-N 2.85Å; R196-I199 PolarHBondContact O-N 3.13Å; R196-I199 VanDerWaalsContact O-N 3.13Å; R196-M200 PolarHBondContact O-N 3.29Å |
| 197 | K | 97.6 | Very high | 96.7 | Very high | 112 Ų | 112 | 62.1 Ų | 62.1 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.5 | -40.8 | 174 | -75.9 | 178.9 | -177.4 | -176.7 | 0 | 112.1 | E193 V194 H195 G201 M202 | E193-K197 WeakPolarHBondContact O-CG 3.45Å; E193-K197 PolarHBondContact O-N 3.18Å; V194-K197 PolarHBondContact O-N 3.48Å; H195-K197 VanDerWaalsContact C-N 3.33Å; H195-K197 PolarHBondContact O-N 3.19Å; K197-G201 PolarHBondContact O-N 2.89Å; K197-G201 VanDerWaalsContact O-N 3.11Å; K197-M202 HydrophobicContact CB-CB 4.04Å; K197-M202 HydrophobicContact CB-CG 4.4Å; K197-M202 HydrophobicContact CG-CB 4.28Å; K197-M202 HydrophobicContact CG-CG 4.4Å; K197-M202 WeakPolarHBondContact O-CB 3.36Å; K197-M202 PolarHBondContact O-N 2.86Å |
| 198 | H | 97.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 22% | 0.222 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.7 | -36.7 | 175.9 | -74.5 | 76.7 | 0 | 0 | 0 | 113.1 | Y95 P181 V194 H195 R196 M200 G201 N203 | Y95-H198 HydrophobicContact CD1-CB 3.91Å; Y95-H198 HydrophobicContact CE1-CB 4.23Å; Y95-H198 HydrophobicContact CG-CB 4.37Å; P181-H198 HydrophobicContact CB-CB 4.19Å; P181-H198 HydrophobicContact CG-CB 4.08Å; V194-H198 PolarHBondContact O-N 3.48Å; V194-H198 PolarHBondContact O-ND1 2.77Å; H195-H198 WeakPolarHBondContact O-CB 3.39Å; H195-H198 PolarHBondContact O-N 2.75Å; R196-H198 VanDerWaalsContact C-N 3.28Å; R196-H198 PolarHBondContact O-N 2.85Å; H198-M200 VanDerWaalsContact C-N 3.34Å; H198-G201 PolarHBondContact O-N 3.03Å; H198-N203 PolarHBondContact CD2-ND2 2.89Å; H198-N203 VanDerWaalsContact CD2-ND2 3.31Å |
| 199 | I | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 176 | -65.3 | 166.1 | 0 | 0 | 0 | 110.6 | Y95 A96 Y99 V125 K164 H195 R196 G201 | Y95-I199 HydrophobicContact CE1-CG1 3.99Å; A96-I199 WeakPolarHBondContact CA-O 3.47Å; A96-I199 WeakPolarHBondContact CB-O 3.21Å; Y99-I199 HydrophobicContact CD1-CG2 3.58Å; Y99-I199 HydrophobicContact CD2-CB 4.48Å; Y99-I199 HydrophobicContact CD2-CD1 4.15Å; Y99-I199 HydrophobicContact CD2-CG1 3.97Å; Y99-I199 HydrophobicContact CD2-CG2 3.72Å; Y99-I199 HydrophobicContact CE1-CG2 3.76Å; Y99-I199 HydrophobicContact CE2-CD1 4.01Å; Y99-I199 HydrophobicContact CE2-CG1 4.3Å; Y99-I199 HydrophobicContact CE2-CG2 3.86Å; Y99-I199 HydrophobicContact CG-CG1 4.46Å; Y99-I199 HydrophobicContact CG-CG2 3.57Å; V125-I199 HydrophobicContact CG1-CB 4.3Å; V125-I199 HydrophobicContact CG1-CD1 3.84Å; V125-I199 HydrophobicContact CG1-CG2 3.78Å; K164-I199 HydrophobicContact CG-CD1 4.33Å; H195-I199 WeakPolarHBondContact O-CG1 3.36Å; H195-I199 PolarHBondContact O-N 3.03Å; R196-I199 PolarHBondContact O-N 3.13Å; R196-I199 VanDerWaalsContact O-N 3.13Å; I199-G201 VanDerWaalsContact C-N 3.27Å; I199-G201 PolarHBondContact O-N 3.42Å |
| 200 | M | 97.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 4% | 0.044 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -0.9 | 178.1 | -63.2 | -55.1 | -177.9 | 0 | 0 | 114.1 | V125 R196 H198 M202 E237 Y240 K241 | V125-M200 HydrophobicContact CB-CE 3.67Å; V125-M200 HydrophobicContact CG1-CE 4.17Å; V125-M200 HydrophobicContact CG2-CE 4.04Å; R196-M200 PolarHBondContact O-N 3.29Å; H198-M200 VanDerWaalsContact C-N 3.34Å; M200-M202 VanDerWaalsContact C-N 3.27Å; M200-M202 HydrophobicContact CB-CG 4.17Å; M200-M202 PolarHBondContact O-N 2.99Å; M200-E237 HydrophobicContact CB-CG 4.12Å; M200-E237 HydrophobicContact CG-CG 4.33Å; M200-Y240 WeakPolarHBondContact O-CD2 3.36Å; M200-K241 HydrophobicContact CE-CG 4.22Å; M200-K241 HydrophobicContact SD-CG 4.18Å |
| 201 | G | 96.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 17.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K197 H198 I199 N203 V204 A205 | K197-G201 PolarHBondContact O-N 2.89Å; K197-G201 VanDerWaalsContact O-N 3.11Å; H198-G201 PolarHBondContact O-N 3.03Å; I199-G201 VanDerWaalsContact C-N 3.27Å; I199-G201 PolarHBondContact O-N 3.42Å; G201-N203 VanDerWaalsContact C-N 3.27Å; G201-N203 PolarHBondContact O-N 3.19Å; G201-V204 WeakPolarHBondContact O-CB 3.36Å; G201-V204 PolarHBondContact O-N 2.73Å; G201-A205 PolarHBondContact O-N 3.31Å; G201-A205 VanDerWaalsContact O-N 3.16Å |
| 202 | M | 97.1 | Very high | 97 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | -179.7 | -64.2 | -57.7 | -71.1 | 0 | 0 | 111.8 | K197 M200 V204 A205 D206 E237 | K197-M202 HydrophobicContact CB-CB 4.04Å; K197-M202 HydrophobicContact CB-CG 4.4Å; K197-M202 HydrophobicContact CG-CB 4.28Å; K197-M202 HydrophobicContact CG-CG 4.4Å; K197-M202 WeakPolarHBondContact O-CB 3.36Å; K197-M202 PolarHBondContact O-N 2.86Å; M200-M202 VanDerWaalsContact C-N 3.27Å; M200-M202 HydrophobicContact CB-CG 4.17Å; M200-M202 PolarHBondContact O-N 2.99Å; M202-V204 PolarHBondContact O-N 3Å; M202-V204 VanDerWaalsContact O-N 3.15Å; M202-A205 CarbonylContact O-C 3.55Å; M202-A205 WeakPolarHBondContact O-CA 3.29Å; M202-A205 WeakPolarHBondContact O-CB 3.48Å; M202-A205 PolarHBondContact O-N 2.88Å; M202-D206 PolarHBondContact O-N 2.89Å; M202-E237 HydrophobicContact SD-CB 3.74Å; M202-E237 HydrophobicContact SD-CG 4.27Å |
| 203 | N | 96.5 | Very high | 97 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.3 | -27.6 | 175.2 | 66.7 | -34.9 | 0 | 0 | 0 | 113.7 | H198 G201 Y207 | H198-N203 PolarHBondContact CD2-ND2 2.89Å; H198-N203 VanDerWaalsContact CD2-ND2 3.31Å; G201-N203 VanDerWaalsContact C-N 3.27Å; G201-N203 PolarHBondContact O-N 3.19Å; N203-Y207 PolarHBondContact O-N 3.04Å |
| 204 | V | 96.6 | Very high | 97 | Very high | 29 Ų | 29 | 59.3 Ų | 59.3 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77.9 | -40 | 173.3 | -178.3 | 0 | 0 | 0 | 0 | 110 | G201 M202 Y207 M208 F223 | G201-V204 WeakPolarHBondContact O-CB 3.36Å; G201-V204 PolarHBondContact O-N 2.73Å; M202-V204 PolarHBondContact O-N 3Å; M202-V204 VanDerWaalsContact O-N 3.15Å; V204-Y207 PolarHBondContact O-N 3.07Å; V204-M208 HydrophobicContact CG1-SD 4.43Å; V204-M208 VanDerWaalsContact O-CG 3.28Å; V204-M208 WeakPolarHBondContact O-CG 3.5Å; V204-M208 PolarHBondContact O-N 2.87Å; V204-F223 HydrophobicContact CG1-CE1 3.97Å; V204-F223 HydrophobicContact CG1-CZ 4.35Å |
| 205 | A | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | G201 M202 Y207 M208 S209 P233 V236 | G201-A205 PolarHBondContact O-N 3.31Å; G201-A205 VanDerWaalsContact O-N 3.16Å; M202-A205 CarbonylContact O-C 3.55Å; M202-A205 WeakPolarHBondContact O-CA 3.29Å; M202-A205 WeakPolarHBondContact O-CB 3.48Å; M202-A205 PolarHBondContact O-N 2.88Å; A205-Y207 VanDerWaalsContact C-N 3.27Å; A205-Y207 PolarHBondContact O-N 2.77Å; A205-M208 WeakPolarHBondContact O-CA 3.4Å; A205-M208 WeakPolarHBondContact O-CB 3.48Å; A205-M208 PolarHBondContact O-N 2.89Å; A205-S209 PolarHBondContact O-N 2.58Å; A205-S209 PolarHBondContact O-OG 2.75Å; A205-P233 HydrophobicContact CB-CB 4.14Å; A205-P233 WeakPolarHBondContact CB-O 3.24Å; A205-V236 HydrophobicContact CB-CB 4.19Å; A205-V236 HydrophobicContact CB-CG2 4.18Å |
| 206 | D | 97.5 | Very high | 96.8 | Very high | 94 Ų | 94 | 66 Ų | 66 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.4 | -43.1 | 175.7 | -60.3 | -23.2 | 0 | 0 | 0 | 110.8 | M202 S209 Y210 | M202-D206 PolarHBondContact O-N 2.89Å; D206-S209 PolarHBondContact O-N 2.73Å; D206-Y210 WeakPolarHBondContact O-CB 3.4Å; D206-Y210 PolarHBondContact O-N 2.86Å |
| 207 | Y | 97.8 | Very high | 96.7 | Very high | 109 Ų | 109 | 66.7 Ų | 66.7 | 43% | 0.427 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.7 | -32.1 | 176.7 | -175.3 | -132.5 | 0 | 0 | 0 | 113.1 | N203 V204 A205 Y210 L211 Q222 F223 | N203-Y207 PolarHBondContact O-N 3.04Å; V204-Y207 PolarHBondContact O-N 3.07Å; A205-Y207 VanDerWaalsContact C-N 3.27Å; A205-Y207 PolarHBondContact O-N 2.77Å; Y207-Y210 HydrophobicContact CD2-CD1 4.15Å; Y207-Y210 HydrophobicContact CE2-CD1 4.27Å; Y207-L211 HydrophobicContact CD2-CD1 4.45Å; Y207-L211 HydrophobicContact CD2-CG 4.18Å; Y207-L211 HydrophobicContact CE1-CD1 3.9Å; Y207-L211 HydrophobicContact CE2-CD1 3.81Å; Y207-L211 HydrophobicContact CE2-CD2 4.1Å; Y207-L211 HydrophobicContact CE2-CG 3.7Å; Y207-L211 PolarHBondContact O-N 3.43Å; Y207-L211 VanDerWaalsContact O-N 3.12Å; Y207-Q222 HydrophobicContact CE1-CG 4.38Å; Y207-F223 AromaticContact CD1-CE2 3.93Å; Y207-F223 HydrophobicContact CD1-CE2 3.93Å; Y207-F223 AromaticContact CD1-CZ 3.68Å; Y207-F223 HydrophobicContact CD1-CZ 3.68Å; Y207-F223 HydrophobicContact CE1-CE2 4.18Å; Y207-F223 HydrophobicContact CE1-CZ 4.18Å |
| 208 | M | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -49.7 | 171.7 | -71.7 | 172.3 | 64.6 | 0 | 0 | 110.6 | V204 A205 L211 M212 Y219 F223 F226 P233 V236 | V204-M208 HydrophobicContact CG1-SD 4.43Å; V204-M208 VanDerWaalsContact O-CG 3.28Å; V204-M208 WeakPolarHBondContact O-CG 3.5Å; V204-M208 PolarHBondContact O-N 2.87Å; A205-M208 WeakPolarHBondContact O-CA 3.4Å; A205-M208 WeakPolarHBondContact O-CB 3.48Å; A205-M208 PolarHBondContact O-N 2.89Å; M208-L211 PolarHBondContact O-N 2.89Å; M208-M212 VanDerWaalsContact O-CG 3.27Å; M208-M212 WeakPolarHBondContact O-CG 3.45Å; M208-M212 PolarHBondContact O-N 3.06Å; M208-Y219 HydrophobicContact CB-CE2 4.04Å; M208-Y219 HydrophobicContact CE-CE2 4.21Å; M208-Y219 HydrophobicContact CG-CE2 4.27Å; M208-F223 HydrophobicContact CB-CE2 4.24Å; M208-F223 HydrophobicContact CB-CZ 4.41Å; M208-F223 HydrophobicContact CG-CD1 3.76Å; M208-F223 HydrophobicContact CG-CD2 3.8Å; M208-F223 HydrophobicContact CG-CE1 3.49Å; M208-F223 VanDerWaalsContact CG-CE1 3.49Å; M208-F223 HydrophobicContact CG-CE2 3.5Å; M208-F223 VanDerWaalsContact CG-CE2 3.5Å; M208-F223 HydrophobicContact CG-CG 3.9Å; M208-F223 HydrophobicContact CG-CZ 3.34Å; M208-F223 HydrophobicContact SD-CD1 4.14Å; M208-F223 HydrophobicContact SD-CE1 4.09Å; M208-F223 HydrophobicContact SD-CZ 4.5Å; M208-F226 HydrophobicContact CE-CB 4.18Å; M208-F226 HydrophobicContact CE-CD1 4.02Å; M208-F226 HydrophobicContact CE-CG 4.38Å; M208-F226 HydrophobicContact SD-CD1 3.89Å; M208-F226 HydrophobicContact SD-CE1 4.22Å; M208-F226 HydrophobicContact SD-CG 4.5Å; M208-P233 HydrophobicContact CB-CB 4.42Å; M208-P233 HydrophobicContact CB-CG 3.79Å; M208-P233 HydrophobicContact CE-CG 4.29Å; M208-V236 HydrophobicContact SD-CG2 4.39Å |
| 209 | S | 96.8 | Very high | 96.6 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 178.7 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | A205 D206 L211 M212 E213 P233 | A205-S209 PolarHBondContact O-N 2.58Å; A205-S209 PolarHBondContact O-OG 2.75Å; D206-S209 PolarHBondContact O-N 2.73Å; S209-L211 PolarHBondContact O-N 3.43Å; S209-M212 WeakPolarHBondContact O-CB 3Å; S209-M212 PolarHBondContact O-N 2.95Å; S209-M212 VanDerWaalsContact O-N 3.13Å; S209-E213 PolarHBondContact O-N 2.72Å; S209-E213 VanDerWaalsContact O-N 3.14Å; S209-P233 VanDerWaalsContact OG-CB 3.3Å; S209-P233 WeakPolarHBondContact OG-CB 3.34Å; S209-P233 WeakPolarHBondContact OG-CG 3.23Å |
| 210 | Y | 97.3 | Very high | 96.5 | Very high | 128 Ų | 128 | 65.9 Ų | 65.9 | 50% | 0.502 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.6 | -48 | 176 | 172.6 | -102.7 | 0 | 0 | 0 | 112.4 | D206 Y207 M212 E213 E214 | D206-Y210 WeakPolarHBondContact O-CB 3.4Å; D206-Y210 PolarHBondContact O-N 2.86Å; Y207-Y210 HydrophobicContact CD2-CD1 4.15Å; Y207-Y210 HydrophobicContact CE2-CD1 4.27Å; Y210-M212 VanDerWaalsContact C-N 3.34Å; Y210-M212 PolarHBondContact O-N 3.26Å; Y210-E213 PolarHBondContact O-N 3.48Å; Y210-E214 HydrophobicContact CD2-CG 3.89Å; Y210-E214 HydrophobicContact CE1-CG 4.38Å; Y210-E214 HydrophobicContact CE2-CG 3.48Å; Y210-E214 VanDerWaalsContact CE2-CG 3.48Å; Y210-E214 HydrophobicContact CG-CG 4.5Å; Y210-E214 WeakPolarHBondContact O-CB 3.37Å; Y210-E214 WeakPolarHBondContact O-CG 3.41Å; Y210-E214 PolarHBondContact O-N 2.8Å |
| 211 | L | 96.9 | Very high | 96.5 | Very high | 14 Ų | 14 | 73.9 Ų | 73.9 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.6 | -30.7 | 178.2 | -76 | -175.8 | 0 | 0 | 0 | 113.1 | Y207 M208 S209 E213 D215 A218 Y219 Q222 F223 | Y207-L211 HydrophobicContact CD2-CD1 4.45Å; Y207-L211 HydrophobicContact CD2-CG 4.18Å; Y207-L211 HydrophobicContact CE1-CD1 3.9Å; Y207-L211 HydrophobicContact CE2-CD1 3.81Å; Y207-L211 HydrophobicContact CE2-CD2 4.1Å; Y207-L211 HydrophobicContact CE2-CG 3.7Å; Y207-L211 PolarHBondContact O-N 3.43Å; Y207-L211 VanDerWaalsContact O-N 3.12Å; M208-L211 PolarHBondContact O-N 2.89Å; S209-L211 PolarHBondContact O-N 3.43Å; L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 PolarHBondContact O-N 2.79Å; L211-D215 CarbonylContact O-C 3.43Å; L211-D215 PolarHBondContact O-N 3.18Å; L211-A218 HydrophobicContact CD2-CB 4.26Å; L211-Y219 HydrophobicContact CB-CD2 4.3Å; L211-Q222 HydrophobicContact CD1-CB 4.43Å; L211-F223 HydrophobicContact CD1-CD2 4.37Å; L211-F223 HydrophobicContact CD1-CE2 3.97Å |
| 212 | M | 94.1 | Very high | 96.5 | Very high | 92 Ų | 92 | 79.6 Ų | 79.6 | 45% | 0.453 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.7 | -35 | 175.6 | -75.3 | 175.1 | 61.1 | 0 | 0 | 112.1 | M208 S209 Y210 Y219 P233 | M208-M212 VanDerWaalsContact O-CG 3.27Å; M208-M212 WeakPolarHBondContact O-CG 3.45Å; M208-M212 PolarHBondContact O-N 3.06Å; S209-M212 WeakPolarHBondContact O-CB 3Å; S209-M212 PolarHBondContact O-N 2.95Å; S209-M212 VanDerWaalsContact O-N 3.13Å; Y210-M212 VanDerWaalsContact C-N 3.34Å; Y210-M212 PolarHBondContact O-N 3.26Å; M212-Y219 HydrophobicContact CG-CD1 3.72Å; M212-Y219 HydrophobicContact CG-CD2 3.57Å; M212-Y219 HydrophobicContact CG-CE1 3.66Å; M212-Y219 HydrophobicContact CG-CE2 3.56Å; M212-Y219 HydrophobicContact CG-CG 3.67Å; M212-Y219 HydrophobicContact SD-CE1 4.05Å; M212-Y219 HydrophobicContact SD-CE2 3.9Å; M212-P233 HydrophobicContact SD-CG 3.95Å |
| 213 | E | 95.4 | Very high | 96.5 | Very high | 164 Ų | 164 | 77.7 Ų | 77.7 | 77% | 0.766 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -81.2 | -41.5 | 179.3 | -68.3 | 174.4 | -170.5 | 0 | 0 | 112.3 | S209 Y210 L211 | S209-E213 PolarHBondContact O-N 2.72Å; S209-E213 VanDerWaalsContact O-N 3.14Å; Y210-E213 PolarHBondContact O-N 3.48Å; L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 PolarHBondContact O-N 2.79Å |
| 214 | E | 96.6 | Very high | 96.5 | Very high | 132 Ų | 132 | 77.9 Ų | 77.9 | 62% | 0.617 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -89.7 | -40.4 | -172.2 | -65.2 | -78 | 139.4 | 0 | 0 | 114.2 | Y210 | Y210-E214 HydrophobicContact CD2-CG 3.89Å; Y210-E214 HydrophobicContact CE1-CG 4.38Å; Y210-E214 HydrophobicContact CE2-CG 3.48Å; Y210-E214 VanDerWaalsContact CE2-CG 3.48Å; Y210-E214 HydrophobicContact CG-CG 4.5Å; Y210-E214 WeakPolarHBondContact O-CB 3.37Å; Y210-E214 WeakPolarHBondContact O-CG 3.41Å; Y210-E214 PolarHBondContact O-N 2.8Å |
| 215 | D | 95.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 84.7 Ų | 84.7 | 41% | 0.412 | 40% | 0.403 | S | S | . | . | trans | -154.7 | 91.6 | -174.1 | -174.2 | -16.6 | 0 | 0 | 0 | 111.7 | L211 D217 A218 Y219 | L211-D215 CarbonylContact O-C 3.43Å; L211-D215 PolarHBondContact O-N 3.18Å; D215-D217 PolarHBondContact O-N 3.01Å; D215-D217 PolarHBondContact OD1-N 3.09Å; D215-D217 VanDerWaalsContact OD1-N 3.09Å; D215-A218 HydrophobicContact CB-CB 3.89Å; D215-A218 PolarHBondContact O-N 2.82Å; D215-A218 PolarHBondContact OD1-N 2.91Å; D215-A218 WeakPolarHBondContact OD2-CB 3.47Å; D215-Y219 PolarHBondContact O-N 3.32Å | ||
| 216 | E | 95.1 | Very high | 96.5 | Very high | 114 Ų | 114 | 85.5 Ų | 85.5 | 53% | 0.533 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.5 | -30.7 | -178.7 | -157.6 | -164 | 158.1 | 0 | 0 | 112.9 | Y219 K220 | E216-Y219 WeakPolarHBondContact O-CB 3.26Å; E216-Y219 PolarHBondContact O-N 3.5Å; E216-K220 VanDerWaalsContact O-CG 3.3Å; E216-K220 WeakPolarHBondContact O-CG 3.37Å; E216-K220 PolarHBondContact O-N 3.36Å; E216-K220 WeakPolarHBondContact OE1-CE 3.49Å; E216-K220 IonicContact OE1-NZ 2.67Å; E216-K220 PolarHBondContact OE1-NZ 3.09Å; E216-K220 IonicContact OE2-NZ 3.73Å |
| 217 | D | 96 | Very high | 96.4 | Very high | 119 Ų | 119 | 84.8 Ų | 84.8 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -73.6 | -41.7 | 179.2 | -77.4 | -21.7 | 0 | 0 | 0 | 111 | D215 Y219 K220 K221 | D215-D217 PolarHBondContact O-N 3.01Å; D215-D217 PolarHBondContact OD1-N 3.09Å; D215-D217 VanDerWaalsContact OD1-N 3.09Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; D217-K220 PolarHBondContact O-N 3.44Å; D217-K221 WeakPolarHBondContact O-CB 3.37Å; D217-K221 PolarHBondContact O-N 2.9Å |
| 218 | A | 96.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 88.2 Ų | 88.2 | 25% | 0.248 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L211 D215 K221 Q222 | L211-A218 HydrophobicContact CD2-CB 4.26Å; D215-A218 HydrophobicContact CB-CB 3.89Å; D215-A218 PolarHBondContact O-N 2.82Å; D215-A218 PolarHBondContact OD1-N 2.91Å; D215-A218 WeakPolarHBondContact OD2-CB 3.47Å; A218-K221 PolarHBondContact O-N 3.07Å; A218-Q222 VanDerWaalsContact O-CB 3.3Å; A218-Q222 WeakPolarHBondContact O-CB 3.11Å; A218-Q222 PolarHBondContact O-N 3.36Å |
| 219 | Y | 96.5 | Very high | 96.3 | Very high | 23 Ų | 23 | 91.9 Ų | 91.9 | 9% | 0.09 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.8 | -53.3 | 174 | 174.8 | -109.9 | 0 | 0 | 0 | 111.6 | M208 L211 M212 D215 E216 D217 K221 Q222 F223 I227 | M208-Y219 HydrophobicContact CB-CE2 4.04Å; M208-Y219 HydrophobicContact CE-CE2 4.21Å; M208-Y219 HydrophobicContact CG-CE2 4.27Å; L211-Y219 HydrophobicContact CB-CD2 4.3Å; M212-Y219 HydrophobicContact CG-CD1 3.72Å; M212-Y219 HydrophobicContact CG-CD2 3.57Å; M212-Y219 HydrophobicContact CG-CE1 3.66Å; M212-Y219 HydrophobicContact CG-CE2 3.56Å; M212-Y219 HydrophobicContact CG-CG 3.67Å; M212-Y219 HydrophobicContact SD-CE1 4.05Å; M212-Y219 HydrophobicContact SD-CE2 3.9Å; D215-Y219 PolarHBondContact O-N 3.32Å; E216-Y219 WeakPolarHBondContact O-CB 3.26Å; E216-Y219 PolarHBondContact O-N 3.5Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; Y219-K221 VanDerWaalsContact C-N 3.28Å; Y219-K221 PolarHBondContact O-N 3.38Å; Y219-Q222 PolarHBondContact O-N 3.05Å; Y219-F223 HydrophobicContact CD2-CB 4.18Å; Y219-F223 AromaticContact CD2-CD2 3.61Å; Y219-F223 HydrophobicContact CD2-CD2 3.61Å; Y219-F223 HydrophobicContact CD2-CE2 4.43Å; Y219-F223 HydrophobicContact CD2-CG 4.29Å; Y219-F223 HydrophobicContact CE2-CB 3.89Å; Y219-F223 AromaticContact CE2-CD2 3.82Å; Y219-F223 HydrophobicContact CE2-CD2 3.82Å; Y219-F223 HydrophobicContact CE2-CG 4.13Å; Y219-F223 WeakPolarHBondContact O-CB 3.37Å; Y219-F223 PolarHBondContact O-N 2.95Å; Y219-I227 HydrophobicContact CD1-CD1 4.04Å; Y219-I227 HydrophobicContact CE1-CD1 3.65Å; Y219-I227 HydrophobicContact CE1-CG1 3.91Å |
| 220 | K | 96.4 | Very high | 96.1 | Very high | 91 Ų | 91 | 92.7 Ų | 92.7 | 40% | 0.396 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.4 | -41 | 177.8 | -74.6 | 166.1 | -175.2 | 158 | 0 | 111.8 | E216 D217 S224 I227 | E216-K220 VanDerWaalsContact O-CG 3.3Å; E216-K220 WeakPolarHBondContact O-CG 3.37Å; E216-K220 PolarHBondContact O-N 3.36Å; E216-K220 WeakPolarHBondContact OE1-CE 3.49Å; E216-K220 IonicContact OE1-NZ 2.67Å; E216-K220 PolarHBondContact OE1-NZ 3.09Å; E216-K220 IonicContact OE2-NZ 3.73Å; D217-K220 PolarHBondContact O-N 3.44Å; K220-S224 VanDerWaalsContact O-CA 3.23Å; K220-S224 WeakPolarHBondContact O-CA 3.35Å; K220-S224 WeakPolarHBondContact O-CB 3.48Å; K220-S224 PolarHBondContact O-N 2.58Å; K220-I227 HydrophobicContact CB-CD1 4.47Å; K220-I227 HydrophobicContact CG-CD1 4.14Å |
| 221 | K | 97.2 | Very high | 96 | Very high | 176 Ų | 176 | 87.3 Ų | 87.3 | 77% | 0.765 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.5 | -51.1 | 179 | -175.6 | 178.2 | 179.8 | 179.5 | 0 | 112.2 | D217 A218 Y219 | D217-K221 WeakPolarHBondContact O-CB 3.37Å; D217-K221 PolarHBondContact O-N 2.9Å; A218-K221 PolarHBondContact O-N 3.07Å; Y219-K221 VanDerWaalsContact C-N 3.28Å; Y219-K221 PolarHBondContact O-N 3.38Å |
| 222 | Q | 96.7 | Very high | 95.9 | Very high | 121 Ų | 121 | 89.6 Ų | 89.6 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71.5 | -43.9 | -175.2 | -176.8 | 66.5 | -0.7 | 0 | 0 | 112 | Y207 L211 A218 Y219 | Y207-Q222 HydrophobicContact CE1-CG 4.38Å; L211-Q222 HydrophobicContact CD1-CB 4.43Å; A218-Q222 VanDerWaalsContact O-CB 3.3Å; A218-Q222 WeakPolarHBondContact O-CB 3.11Å; A218-Q222 PolarHBondContact O-N 3.36Å; Y219-Q222 PolarHBondContact O-N 3.05Å |
| 223 | F | 97.2 | Very high | 96 | Very high | 12 Ų | 12 | 85.8 Ų | 85.8 | 5% | 0.053 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -108.5 | 18 | -171.5 | -65.6 | -70.7 | 0 | 0 | 0 | 113.9 | V204 Y207 M208 L211 Y219 R225 F226 I227 | V204-F223 HydrophobicContact CG1-CE1 3.97Å; V204-F223 HydrophobicContact CG1-CZ 4.35Å; Y207-F223 AromaticContact CD1-CE2 3.93Å; Y207-F223 HydrophobicContact CD1-CE2 3.93Å; Y207-F223 AromaticContact CD1-CZ 3.68Å; Y207-F223 HydrophobicContact CD1-CZ 3.68Å; Y207-F223 HydrophobicContact CE1-CE2 4.18Å; Y207-F223 HydrophobicContact CE1-CZ 4.18Å; M208-F223 HydrophobicContact CB-CE2 4.24Å; M208-F223 HydrophobicContact CB-CZ 4.41Å; M208-F223 HydrophobicContact CG-CD1 3.76Å; M208-F223 HydrophobicContact CG-CD2 3.8Å; M208-F223 HydrophobicContact CG-CE1 3.49Å; M208-F223 VanDerWaalsContact CG-CE1 3.49Å; M208-F223 HydrophobicContact CG-CE2 3.5Å; M208-F223 VanDerWaalsContact CG-CE2 3.5Å; M208-F223 HydrophobicContact CG-CG 3.9Å; M208-F223 HydrophobicContact CG-CZ 3.34Å; M208-F223 HydrophobicContact SD-CD1 4.14Å; M208-F223 HydrophobicContact SD-CE1 4.09Å; M208-F223 HydrophobicContact SD-CZ 4.5Å; L211-F223 HydrophobicContact CD1-CD2 4.37Å; L211-F223 HydrophobicContact CD1-CE2 3.97Å; Y219-F223 HydrophobicContact CD2-CB 4.18Å; Y219-F223 AromaticContact CD2-CD2 3.61Å; Y219-F223 HydrophobicContact CD2-CD2 3.61Å; Y219-F223 HydrophobicContact CD2-CE2 4.43Å; Y219-F223 HydrophobicContact CD2-CG 4.29Å; Y219-F223 HydrophobicContact CE2-CB 3.89Å; Y219-F223 AromaticContact CE2-CD2 3.82Å; Y219-F223 HydrophobicContact CE2-CD2 3.82Å; Y219-F223 HydrophobicContact CE2-CG 4.13Å; Y219-F223 WeakPolarHBondContact O-CB 3.37Å; Y219-F223 PolarHBondContact O-N 2.95Å; F223-R225 PolarHBondContact O-N 2.93Å; F223-F226 HydrophobicContact CB-CB 4.21Å; F223-F226 AromaticContact CD1-CD2 3.79Å; F223-F226 HydrophobicContact CD1-CD2 3.79Å; F223-F226 HydrophobicContact CD1-CE2 4.1Å; F223-F226 HydrophobicContact CD1-CG 4.12Å; F223-F226 WeakPolarHBondContact O-CA 3.18Å; F223-F226 WeakPolarHBondContact O-CB 3.28Å; F223-F226 PolarHBondContact O-N 3.33Å; F223-I227 PolarHBondContact O-N 3.28Å |
| 224 | S | 96.9 | Very high | 95.9 | Very high | 65 Ų | 65 | 84.8 Ų | 84.8 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -43.2 | -40.5 | 176.5 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | K220 K228 | K220-S224 VanDerWaalsContact O-CA 3.23Å; K220-S224 WeakPolarHBondContact O-CA 3.35Å; K220-S224 WeakPolarHBondContact O-CB 3.48Å; K220-S224 PolarHBondContact O-N 2.58Å; S224-K228 WeakPolarHBondContact O-CB 3.34Å; S224-K228 PolarHBondContact O-N 3.46Å |
| 225 | R | 96.3 | Very high | 95.9 | Very high | 173 Ų | 173 | 81 Ų | 81 | 65% | 0.653 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.9 | -32.4 | 177.8 | -67.8 | -172.9 | 178.1 | -163.1 | -2.5 | 113.5 | V90 F223 N229 | V90-R225 HydrophobicContact CG1-CB 4.02Å; F223-R225 PolarHBondContact O-N 2.93Å; R225-N229 PolarHBondContact O-N 3.33Å; R225-N229 PolarHBondContact O-ND2 3.04Å |
| 226 | F | 96.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 77.4 Ų | 77.4 | 9% | 0.092 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.7 | -47.2 | 174.8 | -77.2 | -110.9 | 0 | 0 | 0 | 109.5 | V90 M208 F223 K228 N229 G230 V231 | V90-F226 HydrophobicContact CB-CD2 4.18Å; V90-F226 HydrophobicContact CB-CE2 4.03Å; V90-F226 HydrophobicContact CB-CZ 4.26Å; V90-F226 HydrophobicContact CG2-CD1 3.73Å; V90-F226 HydrophobicContact CG2-CD2 3.94Å; V90-F226 HydrophobicContact CG2-CE1 3.67Å; V90-F226 HydrophobicContact CG2-CE2 3.89Å; V90-F226 HydrophobicContact CG2-CG 3.86Å; V90-F226 HydrophobicContact CG2-CZ 3.75Å; M208-F226 HydrophobicContact CE-CB 4.18Å; M208-F226 HydrophobicContact CE-CD1 4.02Å; M208-F226 HydrophobicContact CE-CG 4.38Å; M208-F226 HydrophobicContact SD-CD1 3.89Å; M208-F226 HydrophobicContact SD-CE1 4.22Å; M208-F226 HydrophobicContact SD-CG 4.5Å; F223-F226 HydrophobicContact CB-CB 4.21Å; F223-F226 AromaticContact CD1-CD2 3.79Å; F223-F226 HydrophobicContact CD1-CD2 3.79Å; F223-F226 HydrophobicContact CD1-CE2 4.1Å; F223-F226 HydrophobicContact CD1-CG 4.12Å; F223-F226 WeakPolarHBondContact O-CA 3.18Å; F223-F226 WeakPolarHBondContact O-CB 3.28Å; F223-F226 PolarHBondContact O-N 3.33Å; F226-K228 PolarHBondContact O-N 3.36Å; F226-N229 CarbonylContact O-C 3.58Å; F226-N229 PolarHBondContact O-N 3.41Å; F226-N229 VanDerWaalsContact O-N 3.08Å; F226-G230 PolarHBondContact O-N 3.29Å; F226-V231 HydrophobicContact CB-CB 4.28Å; F226-V231 HydrophobicContact CD1-CB 3.84Å; F226-V231 HydrophobicContact CD1-CG1 3.65Å; F226-V231 HydrophobicContact CE1-CG1 4.17Å; F226-V231 HydrophobicContact CG-CB 4.47Å; F226-V231 PolarHBondContact O-N 3.35Å |
| 227 | I | 95.7 | Very high | 95.9 | Very high | 78 Ų | 78 | 74.3 Ų | 74.3 | 40% | 0.4 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.1 | -49.1 | 174.5 | -58.7 | 169.3 | 0 | 0 | 0 | 110.6 | Y219 K220 F223 N229 G230 | Y219-I227 HydrophobicContact CD1-CD1 4.04Å; Y219-I227 HydrophobicContact CE1-CD1 3.65Å; Y219-I227 HydrophobicContact CE1-CG1 3.91Å; K220-I227 HydrophobicContact CB-CD1 4.47Å; K220-I227 HydrophobicContact CG-CD1 4.14Å; F223-I227 PolarHBondContact O-N 3.28Å; I227-N229 PolarHBondContact O-N 3.1Å; I227-G230 PolarHBondContact O-N 3.07Å |
| 228 | K | 96.7 | Very high | 95.9 | Very high | 181 Ų | 181 | 73.5 Ų | 73.5 | 79% | 0.787 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.8 | -31 | 178.9 | -177.3 | 174 | 179.8 | 175.8 | 0 | 113.7 | S224 F226 | S224-K228 WeakPolarHBondContact O-CB 3.34Å; S224-K228 PolarHBondContact O-N 3.46Å; F226-K228 PolarHBondContact O-N 3.36Å |
| 229 | N | 95 | Very high | 95.9 | Very high | 78 Ų | 78 | 73.2 Ų | 73.2 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 9.6 | -179.8 | -67.5 | -74 | 0 | 0 | 0 | 112.9 | V90 R225 F226 I227 V231 | V90-N229 HydrophobicContact CG1-CB 4.29Å; V90-N229 WeakPolarHBondContact CG1-ND2 3.18Å; R225-N229 PolarHBondContact O-N 3.33Å; R225-N229 PolarHBondContact O-ND2 3.04Å; F226-N229 CarbonylContact O-C 3.58Å; F226-N229 PolarHBondContact O-N 3.41Å; F226-N229 VanDerWaalsContact O-N 3.08Å; I227-N229 PolarHBondContact O-N 3.1Å; N229-V231 VanDerWaalsContact C-N 3.31Å; N229-V231 HydrophobicContact CB-CG2 4.39Å; N229-V231 PolarHBondContact O-N 3.49Å |
| 230 | G | 94 | Very high | 96 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 26.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F226 I227 | F226-G230 PolarHBondContact O-N 3.29Å; I227-G230 PolarHBondContact O-N 3.07Å |
| 231 | V | 95.1 | Very high | 96 | Very high | 15 Ų | 15 | 72.3 Ų | 72.3 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | trans | -91.1 | 113.6 | 178.2 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | V90 F226 N229 V236 M239 | V90-V231 HydrophobicContact CG2-CG2 4.04Å; F226-V231 HydrophobicContact CB-CB 4.28Å; F226-V231 HydrophobicContact CD1-CB 3.84Å; F226-V231 HydrophobicContact CD1-CG1 3.65Å; F226-V231 HydrophobicContact CE1-CG1 4.17Å; F226-V231 HydrophobicContact CG-CB 4.47Å; F226-V231 PolarHBondContact O-N 3.35Å; N229-V231 VanDerWaalsContact C-N 3.31Å; N229-V231 HydrophobicContact CB-CG2 4.39Å; N229-V231 PolarHBondContact O-N 3.49Å; V231-V236 HydrophobicContact CG1-CG2 4.05Å; V231-M239 HydrophobicContact CG1-SD 4.49Å; V231-M239 HydrophobicContact CG2-SD 4.41Å | ||
| 232 | T | 94.7 | Very high | 96 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | trans | -100.3 | 161.9 | 175.2 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | D234 T235 V236 | T232-D234 VanDerWaalsContact C-N 3.29Å; T232-D234 PolarHBondContact O-N 2.86Å; T232-T235 PolarHBondContact N-OG1 3.23Å; T232-T235 VanDerWaalsContact N-OG1 3.08Å; T232-T235 PolarHBondContact O-N 2.89Å; T232-T235 VanDerWaalsContact O-N 3.13Å; T232-T235 PolarHBondContact O-OG1 3.3Å; T232-T235 VanDerWaalsContact OG1-CG2 3.32Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.46Å; T232-T235 PolarHBondContact OG1-OG1 3.27Å; T232-V236 WeakPolarHBondContact O-CG2 3.4Å | ||
| 233 | P | 95 | Very high | 96.1 | Very high | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -46.3 | 179.6 | -25.7 | 33.6 | 0 | 0 | 0 | 113.4 | A205 M208 S209 M212 T235 V236 | A205-P233 HydrophobicContact CB-CB 4.14Å; A205-P233 WeakPolarHBondContact CB-O 3.24Å; M208-P233 HydrophobicContact CB-CB 4.42Å; M208-P233 HydrophobicContact CB-CG 3.79Å; M208-P233 HydrophobicContact CE-CG 4.29Å; S209-P233 VanDerWaalsContact OG-CB 3.3Å; S209-P233 WeakPolarHBondContact OG-CB 3.34Å; S209-P233 WeakPolarHBondContact OG-CG 3.23Å; M212-P233 HydrophobicContact SD-CG 3.95Å; P233-T235 VanDerWaalsContact C-N 3.27Å; P233-T235 PolarHBondContact O-N 2.77Å; P233-V236 WeakPolarHBondContact O-CB 3.36Å; P233-V236 WeakPolarHBondContact O-CG2 3.4Å; P233-V236 PolarHBondContact O-N 3.02Å |
| 234 | D | 94.8 | Very high | 96.1 | Very high | 142 Ų | 142 | 63.7 Ų | 63.7 | 76% | 0.759 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29.8 | -176.7 | -51.5 | -41.4 | 0 | 0 | 0 | 113.2 | T232 | T232-D234 VanDerWaalsContact C-N 3.29Å; T232-D234 PolarHBondContact O-N 2.86Å |
| 235 | T | 95.6 | Very high | 96.1 | Very high | 53 Ų | 53 | 63.5 Ų | 63.5 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -83 | -12 | -177.3 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | T232 P233 E237 E238 M239 | T232-T235 PolarHBondContact N-OG1 3.23Å; T232-T235 VanDerWaalsContact N-OG1 3.08Å; T232-T235 PolarHBondContact O-N 2.89Å; T232-T235 VanDerWaalsContact O-N 3.13Å; T232-T235 PolarHBondContact O-OG1 3.3Å; T232-T235 VanDerWaalsContact OG1-CG2 3.32Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.46Å; T232-T235 PolarHBondContact OG1-OG1 3.27Å; P233-T235 VanDerWaalsContact C-N 3.27Å; P233-T235 PolarHBondContact O-N 2.77Å; T235-E237 PolarHBondContact O-N 3.44Å; T235-E238 PolarHBondContact O-N 3.23Å; T235-M239 WeakPolarHBondContact O-CB 3.3Å; T235-M239 PolarHBondContact O-N 3.1Å |
| 236 | V | 95.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | -173.4 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | A205 M208 V231 T232 P233 M239 Y240 | A205-V236 HydrophobicContact CB-CB 4.19Å; A205-V236 HydrophobicContact CB-CG2 4.18Å; M208-V236 HydrophobicContact SD-CG2 4.39Å; V231-V236 HydrophobicContact CG1-CG2 4.05Å; T232-V236 WeakPolarHBondContact O-CG2 3.4Å; P233-V236 WeakPolarHBondContact O-CB 3.36Å; P233-V236 WeakPolarHBondContact O-CG2 3.4Å; P233-V236 PolarHBondContact O-N 3.02Å; V236-M239 WeakPolarHBondContact O-CB 3.08Å; V236-M239 PolarHBondContact O-N 3.45Å; V236-Y240 HydrophobicContact CG1-CD2 3.98Å; V236-Y240 HydrophobicContact CG1-CE2 3.73Å; V236-Y240 VanDerWaalsContact O-CD2 3.24Å; V236-Y240 WeakPolarHBondContact O-CD2 3.32Å; V236-Y240 PolarHBondContact O-N 3.31Å |
| 237 | E | 95.3 | Very high | 96.3 | Very high | 49 Ų | 49 | 56 Ų | 56 | 23% | 0.229 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -46.3 | -179.5 | -177 | 174.7 | -180 | 0 | 0 | 111.5 | M200 M202 T235 M239 Y240 K241 | M200-E237 HydrophobicContact CB-CG 4.12Å; M200-E237 HydrophobicContact CG-CG 4.33Å; M202-E237 HydrophobicContact SD-CB 3.74Å; M202-E237 HydrophobicContact SD-CG 4.27Å; T235-E237 PolarHBondContact O-N 3.44Å; E237-M239 VanDerWaalsContact C-N 3.31Å; E237-M239 PolarHBondContact O-N 3.11Å; E237-Y240 PolarHBondContact O-N 3Å; E237-K241 VanDerWaalsContact CD-NZ 3.31Å; E237-K241 HydrophobicContact CG-CD 4.17Å; E237-K241 WeakPolarHBondContact O-CG 3.3Å; E237-K241 PolarHBondContact O-N 3.19Å; E237-K241 WeakPolarHBondContact OE1-CE 3.5Å; E237-K241 IonicContact OE1-NZ 2.66Å; E237-K241 PolarHBondContact OE1-NZ 3.5Å |
| 238 | E | 96 | Very high | 96.3 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | -179.8 | -161.5 | -169 | 175.1 | 0 | 0 | 111.5 | T235 Y240 K241 K242 | T235-E238 PolarHBondContact O-N 3.23Å; E238-Y240 PolarHBondContact O-N 3.45Å; E238-K241 PolarHBondContact O-N 3.32Å; E238-K242 HydrophobicContact CG-CD 4.31Å; E238-K242 WeakPolarHBondContact O-CB 3.37Å; E238-K242 WeakPolarHBondContact O-CG 3.42Å; E238-K242 PolarHBondContact O-N 3.49Å; E238-K242 WeakPolarHBondContact OE1-CE 3.35Å; E238-K242 IonicContact OE1-NZ 2.65Å; E238-K242 PolarHBondContact OE1-NZ 3.28Å; E238-K242 IonicContact OE2-NZ 3.56Å |
| 239 | M | 97.1 | Very high | 96.4 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 174.7 | -179.1 | -173.3 | 60.7 | 0 | 0 | 111.4 | V231 T235 V236 E237 A243 | V231-M239 HydrophobicContact CG1-SD 4.49Å; V231-M239 HydrophobicContact CG2-SD 4.41Å; T235-M239 WeakPolarHBondContact O-CB 3.3Å; T235-M239 PolarHBondContact O-N 3.1Å; V236-M239 WeakPolarHBondContact O-CB 3.08Å; V236-M239 PolarHBondContact O-N 3.45Å; E237-M239 VanDerWaalsContact C-N 3.31Å; E237-M239 PolarHBondContact O-N 3.11Å; M239-A243 WeakPolarHBondContact O-CB 3.4Å; M239-A243 PolarHBondContact O-N 2.75Å |
| 240 | Y | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.2 | -38 | 178.6 | -73.5 | -68.1 | 0 | 0 | 0 | 112.7 | I88 N94 A96 M200 V236 E237 E238 K242 A243 H244 | I88-Y240 HydrophobicContact CD1-CD1 3.7Å; I88-Y240 HydrophobicContact CD1-CE1 3.69Å; I88-Y240 HydrophobicContact CG1-CD1 4.16Å; I88-Y240 HydrophobicContact CG1-CE1 4.07Å; I88-Y240 HydrophobicContact CG2-CE1 4.12Å; N94-Y240 PolarHBondContact ND2-OH 3.12Å; A96-Y240 HydrophobicContact CB-CD1 3.87Å; A96-Y240 HydrophobicContact CB-CD2 4.01Å; A96-Y240 HydrophobicContact CB-CE1 3.49Å; A96-Y240 VanDerWaalsContact CB-CE1 3.49Å; A96-Y240 HydrophobicContact CB-CE2 3.66Å; A96-Y240 HydrophobicContact CB-CG 4.13Å; M200-Y240 WeakPolarHBondContact O-CD2 3.36Å; V236-Y240 HydrophobicContact CG1-CD2 3.98Å; V236-Y240 HydrophobicContact CG1-CE2 3.73Å; V236-Y240 VanDerWaalsContact O-CD2 3.24Å; V236-Y240 WeakPolarHBondContact O-CD2 3.32Å; V236-Y240 PolarHBondContact O-N 3.31Å; E237-Y240 PolarHBondContact O-N 3Å; E238-Y240 PolarHBondContact O-N 3.45Å; Y240-K242 PolarHBondContact O-N 3.29Å; Y240-A243 WeakPolarHBondContact O-CB 2.99Å; Y240-A243 PolarHBondContact O-N 3.32Å; Y240-H244 PolarHBondContact O-CD2 3.27Å; Y240-H244 VanDerWaalsContact O-CD2 3.25Å; Y240-H244 PolarHBondContact O-N 2.9Å |
| 241 | K | 96.9 | Very high | 96.4 | Very high | 94 Ų | 94 | 47.7 Ų | 47.7 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.6 | -48.1 | 173.2 | -77.1 | 174.7 | 178.3 | 165.7 | 0 | 111.8 | M200 E237 E238 A243 H244 A245 | M200-K241 HydrophobicContact CE-CG 4.22Å; M200-K241 HydrophobicContact SD-CG 4.18Å; E237-K241 VanDerWaalsContact CD-NZ 3.31Å; E237-K241 HydrophobicContact CG-CD 4.17Å; E237-K241 WeakPolarHBondContact O-CG 3.3Å; E237-K241 PolarHBondContact O-N 3.19Å; E237-K241 WeakPolarHBondContact OE1-CE 3.5Å; E237-K241 IonicContact OE1-NZ 2.66Å; E237-K241 PolarHBondContact OE1-NZ 3.5Å; E238-K241 PolarHBondContact O-N 3.32Å; K241-A243 VanDerWaalsContact C-N 3.31Å; K241-A243 PolarHBondContact O-N 3.02Å; K241-H244 PolarHBondContact O-N 3.1Å; K241-A245 PolarHBondContact O-N 3.21Å; K241-A245 VanDerWaalsContact O-N 3.15Å |
| 242 | K | 97.1 | Very high | 96.4 | Very high | 122 Ų | 122 | 50.1 Ų | 50.1 | 53% | 0.53 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 175.1 | -74.6 | 174.2 | -179.9 | 163.7 | 0 | 111.5 | E238 Y240 A245 A246 | E238-K242 HydrophobicContact CG-CD 4.31Å; E238-K242 WeakPolarHBondContact O-CB 3.37Å; E238-K242 WeakPolarHBondContact O-CG 3.42Å; E238-K242 PolarHBondContact O-N 3.49Å; E238-K242 WeakPolarHBondContact OE1-CE 3.35Å; E238-K242 IonicContact OE1-NZ 2.65Å; E238-K242 PolarHBondContact OE1-NZ 3.28Å; E238-K242 IonicContact OE2-NZ 3.56Å; Y240-K242 PolarHBondContact O-N 3.29Å; K242-A245 PolarHBondContact O-N 3.17Å; K242-A246 WeakPolarHBondContact O-CB 3.41Å; K242-A246 PolarHBondContact O-N 3.4Å |
| 243 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y86 I88 M239 Y240 K241 A245 A246 I247 | Y86-A243 VanDerWaalsContact O-CA 3.26Å; Y86-A243 WeakPolarHBondContact O-CA 3.42Å; Y86-A243 WeakPolarHBondContact O-CB 3.49Å; I88-A243 HydrophobicContact CD1-CB 3.51Å; I88-A243 HydrophobicContact CG1-CB 3.6Å; M239-A243 WeakPolarHBondContact O-CB 3.4Å; M239-A243 PolarHBondContact O-N 2.75Å; Y240-A243 WeakPolarHBondContact O-CB 2.99Å; Y240-A243 PolarHBondContact O-N 3.32Å; K241-A243 VanDerWaalsContact C-N 3.31Å; K241-A243 PolarHBondContact O-N 3.02Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 2.96Å; A243-A246 PolarHBondContact O-N 3.49Å; A243-I247 WeakPolarHBondContact O-CB 3.42Å; A243-I247 WeakPolarHBondContact O-CD1 3.32Å; A243-I247 WeakPolarHBondContact O-CG1 3.28Å; A243-I247 PolarHBondContact O-N 2.88Å |
| 244 | H | 98.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.028 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.5 | -61.2 | 165.4 | 0 | 0 | 0 | 111.5 | Y99 C100 L103 Y240 K241 I247 R248 | Y99-H244 AromaticContact CD1-CE1 3.89Å; Y99-H244 AromaticContact CD1-NE2 3.48Å; Y99-H244 WeakPolarHBondContact CD1-NE2 3.3Å; Y99-H244 AromaticContact CE1-CE1 3.65Å; Y99-H244 AromaticContact CE1-NE2 3.59Å; C100-H244 VanDerWaalsContact SG-CD2 3.57Å; C100-H244 PolarHBondContact SG-NE2 2.97Å; C100-H244 VanDerWaalsContact SG-NE2 3.38Å; L103-H244 HydrophobicContact CD2-CB 4.09Å; Y240-H244 PolarHBondContact O-CD2 3.27Å; Y240-H244 VanDerWaalsContact O-CD2 3.25Å; Y240-H244 PolarHBondContact O-N 2.9Å; K241-H244 PolarHBondContact O-N 3.1Å; H244-I247 PolarHBondContact O-N 2.89Å; H244-R248 WeakPolarHBondContact O-CG 3.42Å; H244-R248 PolarHBondContact O-N 3.23Å; H244-R248 VanDerWaalsContact O-N 3.14Å |
| 245 | A | 98 | Very high | 95.7 | Very high | 61 Ų | 61 | 59 Ų | 59 | 50% | 0.504 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K241 K242 A243 I247 R248 A249 | K241-A245 PolarHBondContact O-N 3.21Å; K241-A245 VanDerWaalsContact O-N 3.15Å; K242-A245 PolarHBondContact O-N 3.17Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 2.96Å; A245-I247 VanDerWaalsContact C-N 3.35Å; A245-I247 PolarHBondContact O-N 3.43Å; A245-R248 PolarHBondContact O-N 3.02Å; A245-A249 WeakPolarHBondContact O-CB 3.37Å; A245-A249 PolarHBondContact O-N 3.11Å |
| 246 | A | 97.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y86 K242 A243 A249 N250 | Y86-A246 HydrophobicContact CD1-CB 4.05Å; K242-A246 WeakPolarHBondContact O-CB 3.41Å; K242-A246 PolarHBondContact O-N 3.4Å; A243-A246 PolarHBondContact O-N 3.49Å; A246-A249 PolarHBondContact O-N 2.88Å; A246-N250 PolarHBondContact O-N 2.97Å |
| 247 | I | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 175.9 | -73.1 | 165.7 | 0 | 0 | 0 | 111.1 | L83 Y86 C100 L103 L104 R107 A243 H244 A245 N250 | L83-I247 HydrophobicContact CD2-CD1 4.2Å; Y86-I247 HydrophobicContact CD1-CG1 3.82Å; Y86-I247 HydrophobicContact CD2-CG1 4.04Å; Y86-I247 HydrophobicContact CE1-CG1 4.28Å; Y86-I247 HydrophobicContact CE2-CG1 4.49Å; Y86-I247 HydrophobicContact CG-CG1 3.68Å; C100-I247 HydrophobicContact CB-CD1 4.08Å; L103-I247 HydrophobicContact CD2-CG2 4.34Å; L103-I247 HydrophobicContact CG-CG2 4.02Å; L104-I247 HydrophobicContact CB-CD1 4.39Å; L104-I247 HydrophobicContact CB-CG2 3.96Å; L104-I247 HydrophobicContact CD1-CG1 4.46Å; L104-I247 HydrophobicContact CD1-CG2 3.97Å; R107-I247 HydrophobicContact CG-CG2 4.49Å; A243-I247 WeakPolarHBondContact O-CB 3.42Å; A243-I247 WeakPolarHBondContact O-CD1 3.32Å; A243-I247 WeakPolarHBondContact O-CG1 3.28Å; A243-I247 PolarHBondContact O-N 2.88Å; H244-I247 PolarHBondContact O-N 2.89Å; A245-I247 VanDerWaalsContact C-N 3.35Å; A245-I247 PolarHBondContact O-N 3.43Å; I247-N250 CarbonylContact O-C 3.58Å |
| 248 | R | 96.8 | Very high | 95.1 | Very high | 48 Ų | 48 | 76 Ų | 76 | 18% | 0.181 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 176.9 | -72.6 | -174.8 | 177 | 111.3 | 2.9 | 112 | R107 Q122 V123 H244 A245 | R107-R248 HydrophobicContact CG-CG 4.36Å; Q122-R248 PolarHBondContact O-NH2 3.22Å; V123-R248 PolarHBondContact O-NH1 3.32Å; H244-R248 WeakPolarHBondContact O-CG 3.42Å; H244-R248 PolarHBondContact O-N 3.23Å; H244-R248 VanDerWaalsContact O-N 3.14Å; A245-R248 PolarHBondContact O-N 3.02Å |
| 249 | A | 97 | Very high | 94.9 | Very high | 87 Ų | 87 | 79.7 Ų | 79.7 | 72% | 0.719 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.1 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A245 A246 | A245-A249 WeakPolarHBondContact O-CB 3.37Å; A245-A249 PolarHBondContact O-N 3.11Å; A246-A249 PolarHBondContact O-N 2.88Å |
| 250 | N | 95.4 | Very high | 94.5 | Very high | 79 Ų | 79 | 86.9 Ų | 86.9 | 42% | 0.422 | 45% | 0.452 | S | S | . | . | trans | -144.1 | 90.1 | 178.8 | -174.9 | 0.2 | 0 | 0 | 0 | 112.6 | Y86 A246 I247 V252 | Y86-N250 WeakPolarHBondContact CE1-O 3.24Å; Y86-N250 PolarHBondContact OH-O 3.3Å; A246-N250 PolarHBondContact O-N 2.97Å; I247-N250 CarbonylContact O-C 3.58Å; N250-V252 VanDerWaalsContact C-N 3.3Å; N250-V252 PolarHBondContact O-N 3.43Å; N250-V252 WeakPolarHBondContact OD1-CB 3.44Å; N250-V252 PolarHBondContact OD1-N 2.76Å; N250-V252 VanDerWaalsContact OD1-N 3.16Å | ||
| 251 | P | 94.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 92 Ų | 92 | 5% | 0.045 | 48% | 0.483 | C | S | . | . | trans | -84.4 | -0.8 | 179.5 | 33.8 | -36 | 0 | 0 | 0 | 114 | L104 R107 R108 H111 | L104-P251 HydrophobicContact CD1-CB 4.42Å; R107-P251 HydrophobicContact CB-CB 3.7Å; R107-P251 HydrophobicContact CB-CG 4.15Å; R108-P251 HydrophobicContact CB-CB 4.24Å; R108-P251 PolarHBondContact NE-O 2.97Å; R108-P251 PolarHBondContact NH2-O 3.01Å; H111-P251 HydrophobicContact CB-CG 4.01Å | ||
| 252 | V | 93.9 | Very high | 94 | Very high | 66 Ų | 66 | 93.9 Ų | 93.9 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | trans | -70.6 | 136.4 | -168.5 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | N250 | N250-V252 VanDerWaalsContact C-N 3.3Å; N250-V252 PolarHBondContact O-N 3.43Å; N250-V252 WeakPolarHBondContact OD1-CB 3.44Å; N250-V252 PolarHBondContact OD1-N 2.76Å; N250-V252 VanDerWaalsContact OD1-N 3.16Å | ||
| 253 | H | 92 | Very high | 93.7 | Very high | 84 Ų | 84 | 98.4 Ų | 98.4 | 39% | 0.389 | 52% | 0.522 | S | S | . | . | trans | -91.7 | 111.3 | 174.9 | -177.1 | 84.2 | 0 | 0 | 0 | 111.4 | E82 | E82-H253 IonicContact OE1-CE1 3.27Å; E82-H253 PolarHBondContact OE1-CE1 3.05Å; E82-H253 VanDerWaalsContact OE1-CE1 3.27Å; E82-H253 IonicContact OE1-ND1 3.18Å; E82-H253 PolarHBondContact OE1-ND1 2.86Å; E82-H253 IonicContact OE2-ND1 3.3Å; E82-H253 PolarHBondContact OE2-ND1 3.2Å | ||
| 254 | E | 89 | Confident | 93.5 | Very high | 131 Ų | 131 | 105.3 Ų | 105.3 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 117.9 | 170.2 | -66.3 | 175.2 | 179.6 | 0 | 0 | 111.1 | ||
| 255 | K | 89.8 | Confident | 93.2 | Very high | 186 Ų | 186 | 113.2 Ų | 113.2 | 81% | 0.809 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 133.7 | 175.5 | -68.4 | -178.9 | -177.4 | 173.6 | 0 | 109.8 | ||
| 256 | K | 90.3 | Very high | 93 | Very high | 184 Ų | 184 | 120.2 Ų | 120.2 | 80% | 0.8 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 142.4 | 172.3 | -65 | -174.8 | -175.3 | -177.7 | 0 | 109.9 | ||
| 257 | P | 91.8 | Very high | 93 | Very high | 114 Ų | 114 | 124.8 Ų | 124.8 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 144.4 | 177.7 | 26.4 | -33.9 | 0 | 0 | 0 | 110.7 | ||
| 258 | N | 90.9 | Very high | 92.8 | Very high | 164 Ų | 164 | 133.8 Ų | 133.8 | 88% | 0.877 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.6 | 173.8 | -73.4 | -28.4 | 0 | 0 | 0 | 109.3 | ||
| 259 | K | 91.8 | Very high | 92.7 | Very high | 179 Ų | 179 | 133.9 Ų | 133.9 | 78% | 0.778 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 134.5 | 174.6 | -64.4 | -175.1 | 177.4 | -171.4 | 0 | 109.4 | V261 | K259-V261 HydrophobicContact CB-CG2 4.09Å; K259-V261 PolarHBondContact O-N 3.35Å |
| 260 | D | 89.8 | Confident | 92.7 | Very high | 175 Ų | 175 | 139.2 Ų | 139.2 | 94% | 0.936 | 67% | 0.667 | S | S | * | * | trans | -72.8 | 113.5 | 169.2 | -71.3 | -42 | 0 | 0 | 0 | 109.5 | ||||
| 261 | V | 91.8 | Very high | 92.7 | Very high | 109 Ų | 109 | 138 Ų | 138 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | trans | -127.8 | 128.9 | -177.4 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | K259 K263 | K259-V261 HydrophobicContact CB-CG2 4.09Å; K259-V261 PolarHBondContact O-N 3.35Å; V261-K263 PolarHBondContact O-N 3.08Å | ||
| 262 | T | 91.6 | Very high | 92.9 | Very high | 134 Ų | 134 | 140.3 Ų | 140.3 | 82% | 0.822 | 68% | 0.676 | S | S | * | * | trans | -64.5 | 118.1 | 170.6 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | K264 | T262-K264 PolarHBondContact O-N 3.21Š| ||
| 263 | K | 91.1 | Very high | 93.1 | Very high | 216 Ų | 216 | 142.1 Ų | 142.1 | 94% | 0.939 | 68% | 0.683 | S | S | * | * | trans | -76.2 | 96.7 | -174.9 | -65.6 | -177.4 | -176.6 | 172.4 | 0 | 111.5 | V261 | V261-K263 PolarHBondContact O-N 3.08Š| ||
| 264 | K | 93 | Very high | 93.4 | Very high | 146 Ų | 146 | 140.8 Ų | 140.8 | 64% | 0.635 | 69% | 0.686 | S | S | * | * | trans | -81 | 139.3 | 168.6 | -172.3 | 174 | 179.7 | 178.1 | 0 | 111 | T262 W266 | T262-K264 PolarHBondContact O-N 3.21Å; K264-W266 HydrophobicContact CB-CZ2 4.39Å; K264-W266 HydrophobicContact CD-CH2 3.98Å; K264-W266 HydrophobicContact CD-CZ2 4.04Å; K264-W266 HydrophobicContact CD-CZ3 4.32Å; K264-W266 HydrophobicContact CG-CZ2 4.5Å | ||
| 265 | R | 92.4 | Very high | 93.8 | Very high | 172 Ų | 172 | 139.5 Ų | 139.5 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | trans | -84.4 | 116.7 | 174 | -172.5 | -176.1 | -173.4 | 142.4 | 20.8 | 110.3 | N267 A269 | R265-N267 WeakPolarHBondContact CD-O 3.49Å; R265-N267 VanDerWaalsContact CG-O 3.28Å; R265-N267 WeakPolarHBondContact CG-O 3.32Å; R265-N267 PolarHBondContact NE-O 3.37Å; R265-A269 VanDerWaalsContact CZ-CA 3.47Å; R265-A269 VanDerWaalsContact NH2-CA 3.32Å | ||
| 266 | W | 94.6 | Very high | 94.2 | Very high | 207 Ų | 207 | 137.2 Ų | 137.2 | 78% | 0.784 | 67% | 0.667 | S | S | * | * | trans | -92.4 | -25.6 | 176.9 | -58.5 | 103 | 0 | 0 | 0 | 113.5 | K264 | K264-W266 HydrophobicContact CB-CZ2 4.39Å; K264-W266 HydrophobicContact CD-CH2 3.98Å; K264-W266 HydrophobicContact CD-CZ2 4.04Å; K264-W266 HydrophobicContact CD-CZ3 4.32Å; K264-W266 HydrophobicContact CG-CZ2 4.5Å | ||
| 267 | N | 96.5 | Very high | 94.6 | Very high | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -97.1 | 141.3 | -176 | -65.6 | -26.6 | 0 | 0 | 0 | 111.5 | R265 | R265-N267 WeakPolarHBondContact CD-O 3.49Å; R265-N267 VanDerWaalsContact CG-O 3.28Å; R265-N267 WeakPolarHBondContact CG-O 3.32Å; R265-N267 PolarHBondContact NE-O 3.37Å |
| 268 | R | 94.8 | Very high | 94.9 | Very high | 189 Ų | 189 | 134.3 Ų | 134.3 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -55 | 140.6 | 175.8 | -171.9 | 179.5 | 169.7 | 166.2 | 4.5 | 111.8 | ||
| 269 | A | 94.5 | Very high | 95.2 | Very high | 50 Ų | 50 | 132.5 Ų | 132.5 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 138.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R265 L271 | R265-A269 VanDerWaalsContact CZ-CA 3.47Å; R265-A269 VanDerWaalsContact NH2-CA 3.32Å; A269-L271 PolarHBondContact O-N 3.46Å |
| 270 | K | 96.5 | Very high | 95.5 | Very high | 200 Ų | 200 | 128 Ų | 128 | 87% | 0.87 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.2 | 167.5 | -73.3 | -174.3 | -179.9 | 178 | 0 | 107.5 | S272 | K270-S272 PolarHBondContact O-N 3.23Š|
| 271 | L | 96.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 122.5 Ų | 122.5 | 28% | 0.283 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 137.1 | 177.7 | -70.3 | 168.8 | 0 | 0 | 0 | 110 | A269 Q275 R276 | A269-L271 PolarHBondContact O-N 3.46Å; L271-Q275 HydrophobicContact CB-CB 4.42Å; L271-Q275 HydrophobicContact CD2-CB 4.15Å; L271-R276 HydrophobicContact CB-CG 3.83Å; L271-R276 HydrophobicContact CD1-CG 4.31Å; L271-R276 PolarHBondContact O-NE 3.12Å |
| 272 | S | 98.1 | Very high | 96.2 | Very high | 54 Ų | 54 | 123.9 Ų | 123.9 | 38% | 0.378 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 165 | 172.6 | 80.5 | 0 | 0 | 0 | 0 | 110.7 | K270 A274 Q275 R276 | K270-S272 PolarHBondContact O-N 3.23Å; S272-A274 VanDerWaalsContact C-N 3.33Å; S272-Q275 WeakPolarHBondContact OG-CB 3.38Å; S272-Q275 VanDerWaalsContact OG-CG 3.3Å; S272-Q275 WeakPolarHBondContact OG-CG 3.46Å; S272-Q275 PolarHBondContact OG-N 3.44Å; S272-Q275 VanDerWaalsContact OG-N 3.1Å; S272-R276 WeakPolarHBondContact O-CG 3.45Å; S272-R276 PolarHBondContact O-N 3.37Å; S272-R276 VanDerWaalsContact O-N 3.11Å; S272-R276 PolarHBondContact O-NE 2.89Å |
| 273 | L | 97.9 | Very high | 96.5 | Very high | 105 Ų | 105 | 123.6 Ų | 123.6 | 55% | 0.55 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.6 | -43.5 | 174.4 | -178.9 | 61.7 | 0 | 0 | 0 | 111.3 | R276 K277 | L273-R276 PolarHBondContact O-N 3.06Å; L273-K277 PolarHBondContact O-N 3.2Å |
| 274 | A | 98.1 | Very high | 96.8 | Very high | 55 Ų | 55 | 120.1 Ų | 120.1 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.7 | -46.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S272 R276 K277 N278 | S272-A274 VanDerWaalsContact C-N 3.33Å; A274-R276 VanDerWaalsContact C-N 3.28Å; A274-R276 PolarHBondContact O-N 3.49Å; A274-K277 PolarHBondContact O-N 3.02Å; A274-N278 WeakPolarHBondContact O-CB 3.47Å; A274-N278 VanDerWaalsContact O-CG 3.29Å; A274-N278 PolarHBondContact O-N 2.97Å |
| 275 | Q | 98.1 | Very high | 97 | Very high | 105 Ų | 105 | 115.5 Ų | 115.5 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.3 | -39.5 | 176.1 | -73.3 | 172.2 | -25.9 | 0 | 0 | 112.1 | L271 S272 R279 | L271-Q275 HydrophobicContact CB-CB 4.42Å; L271-Q275 HydrophobicContact CD2-CB 4.15Å; S272-Q275 WeakPolarHBondContact OG-CB 3.38Å; S272-Q275 VanDerWaalsContact OG-CG 3.3Å; S272-Q275 WeakPolarHBondContact OG-CG 3.46Å; S272-Q275 PolarHBondContact OG-N 3.44Å; S272-Q275 VanDerWaalsContact OG-N 3.1Å; Q275-R279 VanDerWaalsContact O-CB 3.24Å; Q275-R279 WeakPolarHBondContact O-CB 3.48Å; Q275-R279 PolarHBondContact O-N 3.2Å |
| 276 | R | 98.1 | Very high | 97.3 | Very high | 138 Ų | 138 | 109.9 Ų | 109.9 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 176.5 | -74.6 | -179.2 | -77.1 | 166.5 | -1.7 | 112.2 | L271 S272 L273 A274 R279 V280 | L271-R276 HydrophobicContact CB-CG 3.83Å; L271-R276 HydrophobicContact CD1-CG 4.31Å; L271-R276 PolarHBondContact O-NE 3.12Å; S272-R276 WeakPolarHBondContact O-CG 3.45Å; S272-R276 PolarHBondContact O-N 3.37Å; S272-R276 VanDerWaalsContact O-N 3.11Å; S272-R276 PolarHBondContact O-NE 2.89Å; L273-R276 PolarHBondContact O-N 3.06Å; A274-R276 VanDerWaalsContact C-N 3.28Å; A274-R276 PolarHBondContact O-N 3.49Å; R276-R279 PolarHBondContact O-N 3.32Å; R276-V280 WeakPolarHBondContact O-CG2 3.36Å; R276-V280 PolarHBondContact O-N 3.22Å |
| 277 | K | 98.1 | Very high | 97.4 | Very high | 138 Ų | 138 | 105.7 Ų | 105.7 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.2 | -49.3 | 177.5 | -73.4 | -175.5 | 175.5 | -173.8 | 0 | 111.4 | L273 A274 R279 V280 A281 | L273-K277 PolarHBondContact O-N 3.2Å; A274-K277 PolarHBondContact O-N 3.02Å; K277-R279 VanDerWaalsContact C-N 3.3Å; K277-R279 PolarHBondContact O-N 3.47Å; K277-V280 WeakPolarHBondContact O-CB 3.03Å; K277-V280 PolarHBondContact O-N 3.39Å; K277-V280 VanDerWaalsContact O-N 3.08Å; K277-A281 PolarHBondContact O-N 2.96Å |
| 278 | N | 98.1 | Very high | 97.4 | Very high | 99 Ų | 99 | 103.9 Ų | 103.9 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 179.8 | -68.9 | -3.7 | 0 | 0 | 0 | 111.4 | A274 V280 A281 Q282 | A274-N278 WeakPolarHBondContact O-CB 3.47Å; A274-N278 VanDerWaalsContact O-CG 3.29Å; A274-N278 PolarHBondContact O-N 2.97Å; N278-V280 VanDerWaalsContact C-N 3.29Å; N278-V280 PolarHBondContact O-N 3.06Å; N278-A281 PolarHBondContact O-N 3.15Å; N278-Q282 WeakPolarHBondContact O-CB 3.35Å; N278-Q282 VanDerWaalsContact O-CG 3.32Å; N278-Q282 WeakPolarHBondContact O-CG 3.41Å; N278-Q282 PolarHBondContact O-N 3.49Å |
| 279 | R | 97.8 | Very high | 97.5 | Very high | 126 Ų | 126 | 102.3 Ų | 102.3 | 48% | 0.475 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 175.1 | -173.6 | 179.4 | -173.1 | -162.2 | -0.1 | 112.7 | Q275 R276 K277 K283 | Q275-R279 VanDerWaalsContact O-CB 3.24Å; Q275-R279 WeakPolarHBondContact O-CB 3.48Å; Q275-R279 PolarHBondContact O-N 3.2Å; R276-R279 PolarHBondContact O-N 3.32Å; K277-R279 VanDerWaalsContact C-N 3.3Å; K277-R279 PolarHBondContact O-N 3.47Å; R279-K283 WeakPolarHBondContact O-CB 3.34Å; R279-K283 WeakPolarHBondContact O-CG 3.43Å; R279-K283 PolarHBondContact O-N 3.38Å; R279-K283 VanDerWaalsContact O-N 3.12Å |
| 280 | V | 98.1 | Very high | 97.5 | Very high | 85 Ų | 85 | 101.8 Ų | 101.8 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -45 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | R276 K277 N278 K283 K284 | R276-V280 WeakPolarHBondContact O-CG2 3.36Å; R276-V280 PolarHBondContact O-N 3.22Å; K277-V280 WeakPolarHBondContact O-CB 3.03Å; K277-V280 PolarHBondContact O-N 3.39Å; K277-V280 VanDerWaalsContact O-N 3.08Å; N278-V280 VanDerWaalsContact C-N 3.29Å; N278-V280 PolarHBondContact O-N 3.06Å; V280-K283 PolarHBondContact O-N 3.24Å; V280-K284 PolarHBondContact O-N 3.15Å |
| 281 | A | 97.8 | Very high | 97.4 | Very high | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K277 N278 K283 K284 A285 | K277-A281 PolarHBondContact O-N 2.96Å; N278-A281 PolarHBondContact O-N 3.15Å; A281-K283 VanDerWaalsContact C-N 3.32Å; A281-K283 PolarHBondContact O-N 3.35Å; A281-K284 PolarHBondContact O-N 3.17Å; A281-A285 PolarHBondContact O-N 3.44Å |
| 282 | Q | 98 | Very high | 97.2 | Very high | 137 Ų | 137 | 100.7 Ų | 100.7 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.5 | -42 | 177 | -73.7 | 173.8 | -16.1 | 0 | 0 | 112.3 | N278 A285 S286 | N278-Q282 WeakPolarHBondContact O-CB 3.35Å; N278-Q282 VanDerWaalsContact O-CG 3.32Å; N278-Q282 WeakPolarHBondContact O-CG 3.41Å; N278-Q282 PolarHBondContact O-N 3.49Å; Q282-A285 PolarHBondContact O-N 3.11Å; Q282-S286 WeakPolarHBondContact O-CB 3.47Å; Q282-S286 PolarHBondContact O-N 3.2Å; Q282-S286 PolarHBondContact O-OG 3.39Å |
| 283 | K | 98.1 | Very high | 96.9 | Very high | 129 Ų | 129 | 104.5 Ų | 104.5 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 177 | -80.6 | -171.1 | 168.3 | -151.2 | 0 | 113.4 | R279 V280 A281 S286 F287 | R279-K283 WeakPolarHBondContact O-CB 3.34Å; R279-K283 WeakPolarHBondContact O-CG 3.43Å; R279-K283 PolarHBondContact O-N 3.38Å; R279-K283 VanDerWaalsContact O-N 3.12Å; V280-K283 PolarHBondContact O-N 3.24Å; A281-K283 VanDerWaalsContact C-N 3.32Å; A281-K283 PolarHBondContact O-N 3.35Å; K283-S286 WeakPolarHBondContact CA-OG 3.4Å; K283-S286 PolarHBondContact O-OG 3.15Å; K283-F287 WeakPolarHBondContact O-CB 3.44Å; K283-F287 PolarHBondContact O-N 3.37Å; K283-F287 VanDerWaalsContact O-N 3.15Å |
| 284 | K | 97.7 | Very high | 96.5 | Very high | 143 Ų | 143 | 106.8 Ų | 106.8 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -47.9 | 175.1 | -72.5 | -176.9 | 174.8 | -169 | 0 | 110.6 | V280 A281 S286 F287 L288 | V280-K284 PolarHBondContact O-N 3.15Å; A281-K284 PolarHBondContact O-N 3.17Å; K284-S286 PolarHBondContact O-N 3.07Å; K284-F287 PolarHBondContact O-N 3.39Å; K284-L288 WeakPolarHBondContact O-CG 3.28Å; K284-L288 PolarHBondContact O-N 3.31Å |
| 285 | A | 97.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 107.9 Ų | 107.9 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A281 Q282 R289 | A281-A285 PolarHBondContact O-N 3.44Å; Q282-A285 PolarHBondContact O-N 3.11Å; A285-R289 WeakPolarHBondContact O-CG 3.37Å; A285-R289 PolarHBondContact O-N 2.82Å; A285-R289 PolarHBondContact O-NE 3.17Å |
| 286 | S | 97.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 105.7 Ų | 105.7 | 38% | 0.378 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 174.8 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | Q282 K283 K284 A290 | Q282-S286 WeakPolarHBondContact O-CB 3.47Å; Q282-S286 PolarHBondContact O-N 3.2Å; Q282-S286 PolarHBondContact O-OG 3.39Å; K283-S286 WeakPolarHBondContact CA-OG 3.4Å; K283-S286 PolarHBondContact O-OG 3.15Å; K284-S286 PolarHBondContact O-N 3.07Å; S286-A290 PolarHBondContact O-N 3.49Å; S286-A290 VanDerWaalsContact O-N 3.15Å |
| 287 | F | 97.2 | Very high | 92.8 | Very high | 120 Ų | 120 | 106.6 Ų | 106.6 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68 | -46.2 | 179.2 | 179.2 | -97.9 | 0 | 0 | 0 | 111.9 | K283 K284 R289 A290 Q291 | K283-F287 WeakPolarHBondContact O-CB 3.44Å; K283-F287 PolarHBondContact O-N 3.37Å; K283-F287 VanDerWaalsContact O-N 3.15Å; K284-F287 PolarHBondContact O-N 3.39Å; F287-R289 VanDerWaalsContact C-N 3.34Å; F287-R289 PolarHBondContact O-N 3.5Å; F287-A290 PolarHBondContact O-N 3Å; F287-Q291 HydrophobicContact CD1-CG 4.44Å; F287-Q291 HydrophobicContact CE1-CG 3.99Å; F287-Q291 HydrophobicContact CZ-CG 4.04Å; F287-Q291 PolarHBondContact O-N 3Å; F287-Q291 VanDerWaalsContact O-N 3.08Å |
| 288 | L | 96.6 | Very high | 90.6 | Very high | 93 Ų | 93 | 106 Ų | 106 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.5 | -44.9 | 177.1 | -68.8 | 171.5 | 0 | 0 | 0 | 111.7 | K284 A290 Q291 E292 | K284-L288 WeakPolarHBondContact O-CG 3.28Å; K284-L288 PolarHBondContact O-N 3.31Å; L288-A290 VanDerWaalsContact C-N 3.31Å; L288-A290 PolarHBondContact O-N 3.01Å; L288-Q291 PolarHBondContact O-N 3.21Å; L288-E292 WeakPolarHBondContact O-CG 3.41Å; L288-E292 PolarHBondContact O-N 3.08Å |
| 289 | R | 96.3 | Very high | 90.2 | Very high | 156 Ų | 156 | 106.3 Ų | 106.3 | 59% | 0.589 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.6 | -38.5 | 175.4 | -74.3 | -174.3 | -64.4 | 162.3 | 2.4 | 113.3 | A285 F287 E292 Q293 | A285-R289 WeakPolarHBondContact O-CG 3.37Å; A285-R289 PolarHBondContact O-N 2.82Å; A285-R289 PolarHBondContact O-NE 3.17Å; F287-R289 VanDerWaalsContact C-N 3.34Å; F287-R289 PolarHBondContact O-N 3.5Å; R289-E292 PolarHBondContact O-N 3.36Å; R289-Q293 WeakPolarHBondContact O-CG 3.31Å; R289-Q293 PolarHBondContact O-N 3.16Å; R289-Q293 VanDerWaalsContact O-N 3.11Å |
| 290 | A | 95.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 105.3 Ų | 105.3 | 33% | 0.331 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.5 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S286 F287 L288 Q293 E294 | S286-A290 PolarHBondContact O-N 3.49Å; S286-A290 VanDerWaalsContact O-N 3.15Å; F287-A290 PolarHBondContact O-N 3Å; L288-A290 VanDerWaalsContact C-N 3.31Å; L288-A290 PolarHBondContact O-N 3.01Å; A290-Q293 PolarHBondContact O-N 3.27Å; A290-E294 PolarHBondContact O-N 3.13Å |
| 291 | Q | 95.1 | Very high | 89.4 | Confident | 96 Ų | 96 | 106.4 Ų | 106.4 | 45% | 0.449 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 175.3 | -69.2 | -166.3 | -50.2 | 0 | 0 | 112.5 | F287 L288 Q293 E294 A295 | F287-Q291 HydrophobicContact CD1-CG 4.44Å; F287-Q291 HydrophobicContact CE1-CG 3.99Å; F287-Q291 HydrophobicContact CZ-CG 4.04Å; F287-Q291 PolarHBondContact O-N 3Å; F287-Q291 VanDerWaalsContact O-N 3.08Å; L288-Q291 PolarHBondContact O-N 3.21Å; Q291-Q293 VanDerWaalsContact C-N 3.31Å; Q291-Q293 PolarHBondContact O-N 3.29Å; Q291-E294 PolarHBondContact O-N 3.29Å; Q291-A295 VanDerWaalsContact O-CB 3.31Å; Q291-A295 WeakPolarHBondContact O-CB 3.45Å; Q291-A295 PolarHBondContact O-N 3.14Å |
| 292 | E | 93.1 | Very high | 88.9 | Confident | 134 Ų | 134 | 109.2 Ų | 109.2 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.1 | -37 | 176.5 | -73 | 167.5 | -178.6 | 0 | 0 | 111.9 | L288 R289 G296 | L288-E292 WeakPolarHBondContact O-CG 3.41Å; L288-E292 PolarHBondContact O-N 3.08Å; R289-E292 PolarHBondContact O-N 3.36Å; E292-G296 PolarHBondContact O-N 3.07Å; E292-G296 VanDerWaalsContact O-N 3.16Å |
| 293 | Q | 90.7 | Very high | 88.3 | Confident | 134 Ų | 134 | 107.4 Ų | 107.4 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.9 | -46.6 | 175.6 | -74.3 | 176.7 | -27.1 | 0 | 0 | 112.1 | R289 A290 Q291 A295 G296 D297 | R289-Q293 WeakPolarHBondContact O-CG 3.31Å; R289-Q293 PolarHBondContact O-N 3.16Å; R289-Q293 VanDerWaalsContact O-N 3.11Å; A290-Q293 PolarHBondContact O-N 3.27Å; Q291-Q293 VanDerWaalsContact C-N 3.31Å; Q291-Q293 PolarHBondContact O-N 3.29Å; Q293-A295 PolarHBondContact O-N 3.14Å; Q293-G296 PolarHBondContact O-N 3.3Å; Q293-D297 PolarHBondContact O-N 3.48Å; Q293-D297 VanDerWaalsContact O-N 3.14Å |
| 294 | E | 89.1 | Confident | 87.7 | Confident | 154 Ų | 154 | 106 Ų | 106 | 72% | 0.72 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.4 | -32.1 | 176.2 | -75.7 | 177.8 | 175.6 | 0 | 0 | 112.7 | A290 Q291 | A290-E294 PolarHBondContact O-N 3.13Å; Q291-E294 PolarHBondContact O-N 3.29Å |
| 295 | A | 84.1 | Confident | 87 | Confident | 78 Ų | 78 | 103.4 Ų | 103.4 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -79.9 | -17 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q291 Q293 | Q291-A295 VanDerWaalsContact O-CB 3.31Å; Q291-A295 WeakPolarHBondContact O-CB 3.45Å; Q291-A295 PolarHBondContact O-N 3.14Å; Q293-A295 PolarHBondContact O-N 3.14Å |
| 296 | G | 74.1 | Confident | 86.2 | Confident | 59 Ų | 59 | 107.6 Ų | 107.6 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -94 | -20.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E292 Q293 | E292-G296 PolarHBondContact O-N 3.07Å; E292-G296 VanDerWaalsContact O-N 3.16Å; Q293-G296 PolarHBondContact O-N 3.3Å |
| 297 | D | 59.6 | Low | 85.2 | Confident | 156 Ų | 156 | 112.1 Ų | 112.1 | 83% | 0.834 | 64% | 0.644 | S | S | * | * | trans | -95.2 | 7.5 | 179.3 | -76.4 | -22.7 | 0 | 0 | 0 | 113.7 | Q293 | Q293-D297 PolarHBondContact O-N 3.48Å; Q293-D297 VanDerWaalsContact O-N 3.14Å | ||
| 298 | G | 51.6 | Low | 84.1 | Confident | 125 Ų | 125 | 111.4 Ų | 111.4 | 100% | 1.289 | 66% | 0.655 | S | S | * | * | trans | -119.7 | 0 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 298 of 298 residues in 144.1 ms
(Link to these results)