| 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 | 69.3 | Low | 89 | Confident | 159 Ų | 159 | 95 Ų | 95 | 78% | 0.783 | 49% | 0.494 | S | S | * | . | 0 | 144.2 | 0 | -174.1 | 175.8 | 164 | 0 | 0 | 110.8 | S52 | M1-S52 PolarHBondContact O-OG 3.45Š| |||
| 2 | H | 85.9 | Confident | 89.4 | Confident | 110 Ų | 110 | 102.4 Ų | 102.4 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | trans | -86.5 | 112.1 | 176.5 | 179 | 107.9 | 0 | 0 | 0 | 110.6 | T48 R55 | H2-T48 HydrophobicContact CB-CG2 4.05Å; H2-R55 PolarHBondContact CE1-NH1 3.16Å; H2-R55 PolarHBondContact CE1-NH2 3.3Å; H2-R55 PolarHBondContact ND1-NH1 2.93Å; H2-R55 PolarHBondContact NE2-NH1 3.22Å | ||
| 3 | V | 90 | Very high | 89.7 | Confident | 8 Ų | 8 | 106.2 Ų | 106.2 | 5% | 0.048 | 52% | 0.522 | C | S | . | . | trans | -85.7 | 121 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | L8 L23 S52 R55 | V3-L8 HydrophobicContact CG1-CD1 3.61Å; V3-L8 HydrophobicContact CG1-CD2 3.64Å; V3-L8 HydrophobicContact CG1-CG 3.64Å; V3-L23 HydrophobicContact CG2-CD1 4.32Å; V3-S52 PolarHBondContact N-OG 3.08Å; V3-R55 WeakPolarHBondContact O-CD 3.37Å; V3-R55 PolarHBondContact O-NH1 2.77Å | ||
| 4 | K | 92.2 | Very high | 90.1 | Very high | 147 Ų | 147 | 109.4 Ų | 109.4 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | trans | -79.3 | 138.8 | 174.4 | -67.5 | -178.5 | 179.8 | 177.3 | 0 | 109.9 | K6 S7 | K4-K6 VanDerWaalsContact C-N 3.31Å; K4-K6 PolarHBondContact O-N 3.19Å; K4-S7 PolarHBondContact O-N 2.93Å; K4-S7 PolarHBondContact O-OG 3.28Å | ||
| 5 | A | 91.5 | Very high | 90.4 | Very high | 41 Ų | 41 | 108.4 Ų | 108.4 | 34% | 0.339 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.5 | -32.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S7 L8 R9 | A5-S7 VanDerWaalsContact C-N 3.31Å; A5-S7 PolarHBondContact O-N 2.8Å; A5-L8 PolarHBondContact O-N 3.45Å; A5-R9 PolarHBondContact O-N 3.16Å |
| 6 | K | 93 | Very high | 90.7 | Very high | 189 Ų | 189 | 102.1 Ų | 102.1 | 82% | 0.822 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.6 | -39.3 | 179.4 | -173.9 | 178 | 178.9 | -178.7 | 0 | 112.4 | K4 L8 R9 | K4-K6 VanDerWaalsContact C-N 3.31Å; K4-K6 PolarHBondContact O-N 3.19Å; K6-L8 VanDerWaalsContact C-N 3.3Å; K6-L8 PolarHBondContact O-N 3Å; K6-R9 PolarHBondContact O-N 3.16Å |
| 7 | S | 90.7 | Very high | 91 | Very high | 70 Ų | 70 | 99.9 Ų | 99.9 | 49% | 0.49 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78.7 | -12.2 | -179.6 | 58.4 | 0 | 0 | 0 | 0 | 114 | K4 A5 K11 | K4-S7 PolarHBondContact O-N 2.93Å; K4-S7 PolarHBondContact O-OG 3.28Å; A5-S7 VanDerWaalsContact C-N 3.31Å; A5-S7 PolarHBondContact O-N 2.8Å; S7-K11 WeakPolarHBondContact O-CE 3.49Å |
| 8 | L | 92.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 102.4 Ų | 102.4 | 1% | 0.005 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -85.5 | -28.9 | 173.8 | -65 | 177.9 | 0 | 0 | 0 | 111.9 | V3 A5 K6 G10 K11 L16 R55 V56 V59 | V3-L8 HydrophobicContact CG1-CD1 3.61Å; V3-L8 HydrophobicContact CG1-CD2 3.64Å; V3-L8 HydrophobicContact CG1-CG 3.64Å; A5-L8 PolarHBondContact O-N 3.45Å; K6-L8 VanDerWaalsContact C-N 3.3Å; K6-L8 PolarHBondContact O-N 3Å; L8-G10 PolarHBondContact O-N 3.43Å; L8-K11 PolarHBondContact O-N 3.06Å; L8-L16 HydrophobicContact CB-CD2 4.13Å; L8-L16 HydrophobicContact CD2-CD2 3.75Å; L8-L16 HydrophobicContact CG-CD2 4.48Å; L8-R55 HydrophobicContact CD1-CB 4.38Å; L8-V56 HydrophobicContact CD1-CB 4.46Å; L8-V56 HydrophobicContact CD1-CG2 3.81Å; L8-V56 HydrophobicContact CD2-CG2 4.24Å; L8-V59 HydrophobicContact CB-CB 4.29Å; L8-V59 HydrophobicContact CB-CG1 4.06Å; L8-V59 HydrophobicContact CB-CG2 4.04Å; L8-V59 HydrophobicContact CD1-CG2 4.15Å |
| 9 | R | 91 | Very high | 91.5 | Very high | 155 Ų | 155 | 98.9 Ų | 98.9 | 59% | 0.585 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 121.2 | 176.1 | -66.7 | 178.7 | 179 | -172.3 | -3.6 | 108.3 | A5 K6 V59 Q62 | A5-R9 PolarHBondContact O-N 3.16Å; K6-R9 PolarHBondContact O-N 3.16Å; R9-V59 HydrophobicContact CG-CG1 4.17Å; R9-Q62 VanDerWaalsContact NH2-OE1 3.13Å |
| 10 | G | 89.9 | Confident | 91.7 | Very high | 84 Ų | 84 | 94.4 Ų | 94.4 | 87% | 0.866 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.1 | -18.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L8 | L8-G10 PolarHBondContact O-N 3.43Š|
| 11 | K | 92.9 | Very high | 91.9 | Very high | 81 Ų | 81 | 93.7 Ų | 93.7 | 35% | 0.352 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -70.1 | 150 | 172.2 | -66.4 | -167.1 | 178 | -167.3 | 0 | 111.5 | S7 L8 E15 L16 | S7-K11 WeakPolarHBondContact O-CE 3.49Å; L8-K11 PolarHBondContact O-N 3.06Å; K11-E15 HydrophobicContact CB-CB 4.39Å; K11-E15 WeakPolarHBondContact CB-OE2 3.5Å; K11-L16 HydrophobicContact CB-CD2 4.04Å; K11-L16 HydrophobicContact CB-CG 4.13Å; K11-L16 HydrophobicContact CD-CD2 4.24Å |
| 12 | R | 94 | Very high | 93.2 | Very high | 184 Ų | 184 | 90.3 Ų | 90.3 | 69% | 0.694 | 44% | 0.441 | S | S | * | . | trans | -69 | 155.3 | 173.3 | -66.4 | -176.7 | 177.1 | -175 | 1.3 | 110.8 | E14 E15 L16 | R12-E14 VanDerWaalsContact C-N 3.25Å; R12-E14 PolarHBondContact O-N 3.36Å; R12-E15 HydrophobicContact CB-CG 4.41Å; R12-E15 PolarHBondContact O-N 3.24Å; R12-L16 PolarHBondContact O-N 3.22Å; R12-L16 VanDerWaalsContact O-N 3.15Å | ||
| 13 | K | 93.2 | Very high | 93.7 | Very high | 151 Ų | 151 | 85.6 Ų | 85.6 | 66% | 0.657 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -56.6 | -40.1 | 179.7 | -176.7 | -177.3 | 174.8 | -171.4 | 0 | 112.1 | L16 I17 | K13-L16 PolarHBondContact O-N 2.98Å; K13-I17 HydrophobicContact CG-CD1 4.01Å; K13-I17 VanDerWaalsContact O-CG1 3.32Å; K13-I17 WeakPolarHBondContact O-CG1 3.3Å; K13-I17 PolarHBondContact O-N 3.05Å |
| 14 | E | 95.2 | Very high | 94 | Very high | 151 Ų | 151 | 91.2 Ų | 91.2 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.7 | -44.3 | 179 | -69.9 | 160.5 | -163.7 | 0 | 0 | 112.1 | R12 L16 I17 K18 | R12-E14 VanDerWaalsContact C-N 3.25Å; R12-E14 PolarHBondContact O-N 3.36Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 3.41Å; E14-I17 PolarHBondContact O-N 3.06Å; E14-K18 PolarHBondContact O-N 3.43Å |
| 15 | E | 95 | Very high | 94.2 | Very high | 95 Ų | 95 | 90.7 Ų | 90.7 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 175.9 | -66.6 | 172.8 | -156.2 | 0 | 0 | 112 | K11 R12 I17 K18 Q19 | K11-E15 HydrophobicContact CB-CB 4.39Å; K11-E15 WeakPolarHBondContact CB-OE2 3.5Å; R12-E15 HydrophobicContact CB-CG 4.41Å; R12-E15 PolarHBondContact O-N 3.24Å; E15-I17 VanDerWaalsContact C-N 3.34Å; E15-K18 PolarHBondContact O-N 3.33Å; E15-Q19 WeakPolarHBondContact O-CB 3.34Å; E15-Q19 PolarHBondContact O-N 2.92Å |
| 16 | L | 95 | Very high | 94.3 | Very high | 7 Ų | 7 | 91.2 Ų | 91.2 | 4% | 0.037 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 176.1 | -66.9 | 176.2 | 0 | 0 | 0 | 111.8 | L8 K11 R12 K13 E14 L20 V56 V59 M60 | L8-L16 HydrophobicContact CB-CD2 4.13Å; L8-L16 HydrophobicContact CD2-CD2 3.75Å; L8-L16 HydrophobicContact CG-CD2 4.48Å; K11-L16 HydrophobicContact CB-CD2 4.04Å; K11-L16 HydrophobicContact CB-CG 4.13Å; K11-L16 HydrophobicContact CD-CD2 4.24Å; R12-L16 PolarHBondContact O-N 3.22Å; R12-L16 VanDerWaalsContact O-N 3.15Å; K13-L16 PolarHBondContact O-N 2.98Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 3.41Å; L16-L20 VanDerWaalsContact O-CB 3.26Å; L16-L20 WeakPolarHBondContact O-CB 3.18Å; L16-L20 PolarHBondContact O-N 3.36Å; L16-V56 HydrophobicContact CB-CG1 4.39Å; L16-V59 HydrophobicContact CD1-CG1 4.48Å; L16-M60 HydrophobicContact CB-CG 3.95Å; L16-M60 HydrophobicContact CB-SD 4.09Å; L16-M60 HydrophobicContact CD1-CG 3.77Å; L16-M60 HydrophobicContact CG-CG 4.47Å |
| 17 | I | 96.2 | Very high | 94.4 | Very high | 65 Ų | 65 | 83.1 Ų | 83.1 | 33% | 0.333 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 176.1 | -69.1 | 165.5 | 0 | 0 | 0 | 110.7 | K13 E14 E15 L20 N21 M60 | K13-I17 HydrophobicContact CG-CD1 4.01Å; K13-I17 VanDerWaalsContact O-CG1 3.32Å; K13-I17 WeakPolarHBondContact O-CG1 3.3Å; K13-I17 PolarHBondContact O-N 3.05Å; E14-I17 PolarHBondContact O-N 3.06Å; E15-I17 VanDerWaalsContact C-N 3.34Å; I17-L20 WeakPolarHBondContact O-CB 3.47Å; I17-L20 PolarHBondContact O-N 2.92Å; I17-N21 PolarHBondContact O-N 3.1Å; I17-M60 HydrophobicContact CD1-CE 4.42Å; I17-M60 HydrophobicContact CG1-CE 3.74Å |
| 18 | K | 96.2 | Very high | 94.6 | Very high | 145 Ų | 145 | 81.4 Ų | 81.4 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.8 | -52.2 | 174.8 | -174.6 | 176.9 | 179.6 | 178.2 | 0 | 110.7 | E14 E15 L20 N21 D22 | E14-K18 PolarHBondContact O-N 3.43Å; E15-K18 PolarHBondContact O-N 3.33Å; K18-L20 PolarHBondContact O-N 2.93Å; K18-N21 PolarHBondContact O-N 3.47Å; K18-D22 PolarHBondContact O-N 3.08Å |
| 19 | Q | 94.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 85.4 Ų | 85.4 | 17% | 0.173 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.4 | -33.7 | 177.4 | -173.2 | 172.8 | -11.7 | 0 | 0 | 112.5 | E15 L23 | E15-Q19 WeakPolarHBondContact O-CB 3.34Å; E15-Q19 PolarHBondContact O-N 2.92Å; Q19-L23 HydrophobicContact CG-CD1 4.37Å; Q19-L23 WeakPolarHBondContact O-CB 3.4Å; Q19-L23 WeakPolarHBondContact O-CD1 3.43Å; Q19-L23 VanDerWaalsContact O-CG 3.23Å; Q19-L23 WeakPolarHBondContact O-CG 3.46Å; Q19-L23 PolarHBondContact O-N 3.23Å |
| 20 | L | 95.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 78.7 Ų | 78.7 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 174.9 | -179.8 | 67.1 | 0 | 0 | 0 | 112.2 | L16 I17 K18 R24 I53 V56 F57 | L16-L20 VanDerWaalsContact O-CB 3.26Å; L16-L20 WeakPolarHBondContact O-CB 3.18Å; L16-L20 PolarHBondContact O-N 3.36Å; I17-L20 WeakPolarHBondContact O-CB 3.47Å; I17-L20 PolarHBondContact O-N 2.92Å; K18-L20 PolarHBondContact O-N 2.93Å; L20-R24 WeakPolarHBondContact O-CG 3.43Å; L20-R24 PolarHBondContact O-N 3.27Å; L20-I53 HydrophobicContact CD1-CG2 3.9Å; L20-V56 HydrophobicContact CB-CG1 4.09Å; L20-V56 HydrophobicContact CD1-CB 4.47Å; L20-V56 HydrophobicContact CD1-CG1 4.3Å; L20-F57 HydrophobicContact CD1-CD2 4.16Å; L20-F57 HydrophobicContact CD1-CE1 4.37Å; L20-F57 HydrophobicContact CD1-CE2 3.74Å; L20-F57 HydrophobicContact CD1-CZ 3.85Å; L20-F57 HydrophobicContact CD2-CD1 4.39Å; L20-F57 HydrophobicContact CD2-CE1 3.65Å; L20-F57 HydrophobicContact CD2-CE2 4.4Å; L20-F57 HydrophobicContact CD2-CZ 3.66Å; L20-F57 HydrophobicContact CG-CZ 4.33Å |
| 21 | N | 96.7 | Very high | 94.9 | Very high | 80 Ų | 80 | 81.6 Ų | 81.6 | 43% | 0.428 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 179.1 | -71.8 | -19.9 | 0 | 0 | 0 | 111.4 | I17 K18 L23 R24 Q25 | I17-N21 PolarHBondContact O-N 3.1Å; K18-N21 PolarHBondContact O-N 3.47Å; N21-L23 VanDerWaalsContact C-N 3.33Å; N21-L23 PolarHBondContact O-N 2.97Å; N21-R24 WeakPolarHBondContact O-CB 3.48Å; N21-R24 PolarHBondContact O-N 2.94Å; N21-R24 VanDerWaalsContact O-N 3.12Å; N21-Q25 PolarHBondContact O-N 3.48Å |
| 22 | D | 96 | Very high | 94.9 | Very high | 89 Ų | 89 | 82.2 Ų | 82.2 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 175.6 | -59 | -22.4 | 0 | 0 | 0 | 111.2 | K18 R24 Q25 E26 | K18-D22 PolarHBondContact O-N 3.08Å; D22-R24 VanDerWaalsContact C-N 3.33Å; D22-R24 PolarHBondContact O-N 3.26Å; D22-Q25 PolarHBondContact O-N 3.1Å; D22-E26 PolarHBondContact O-N 3.21Å |
| 23 | L | 95.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 74.2 Ų | 74.2 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.2 | -33.2 | 177.2 | -71.6 | 171.3 | 0 | 0 | 0 | 112.9 | V3 Q19 N21 L27 V49 I53 V56 | V3-L23 HydrophobicContact CG2-CD1 4.32Å; Q19-L23 HydrophobicContact CG-CD1 4.37Å; Q19-L23 WeakPolarHBondContact O-CB 3.4Å; Q19-L23 WeakPolarHBondContact O-CD1 3.43Å; Q19-L23 VanDerWaalsContact O-CG 3.23Å; Q19-L23 WeakPolarHBondContact O-CG 3.46Å; Q19-L23 PolarHBondContact O-N 3.23Å; N21-L23 VanDerWaalsContact C-N 3.33Å; N21-L23 PolarHBondContact O-N 2.97Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 PolarHBondContact O-N 3.12Å; L23-V49 HydrophobicContact CD2-CG1 4.4Å; L23-V49 VanDerWaalsContact O-CG1 3.31Å; L23-V49 WeakPolarHBondContact O-CG1 3.5Å; L23-I53 HydrophobicContact CB-CD1 4.33Å; L23-I53 HydrophobicContact CB-CG1 3.69Å; L23-I53 HydrophobicContact CD1-CG1 4.37Å; L23-V56 HydrophobicContact CD1-CG2 4.04Å |
| 24 | R | 96.4 | Very high | 94.7 | Very high | 125 Ų | 125 | 72.8 Ų | 72.8 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 175.4 | -80.6 | 170.5 | 165 | 172.1 | -11.9 | 111.3 | L20 N21 D22 L27 G28 I53 | L20-R24 WeakPolarHBondContact O-CG 3.43Å; L20-R24 PolarHBondContact O-N 3.27Å; N21-R24 WeakPolarHBondContact O-CB 3.48Å; N21-R24 PolarHBondContact O-N 2.94Å; N21-R24 VanDerWaalsContact O-N 3.12Å; D22-R24 VanDerWaalsContact C-N 3.33Å; D22-R24 PolarHBondContact O-N 3.26Å; R24-L27 PolarHBondContact O-N 3.35Å; R24-G28 PolarHBondContact O-N 3.03Å; R24-I53 HydrophobicContact CG-CD1 4.39Å |
| 25 | Q | 96.3 | Very high | 94.5 | Very high | 137 Ų | 137 | 72.7 Ų | 72.7 | 64% | 0.64 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 174.9 | -170.1 | 176.1 | 4.7 | 0 | 0 | 110.9 | N21 D22 L27 G28 T29 | N21-Q25 PolarHBondContact O-N 3.48Å; D22-Q25 PolarHBondContact O-N 3.1Å; Q25-L27 VanDerWaalsContact C-N 3.29Å; Q25-L27 PolarHBondContact O-N 3.21Å; Q25-G28 PolarHBondContact O-N 3.05Å; Q25-G28 VanDerWaalsContact O-N 3.08Å; Q25-T29 PolarHBondContact O-N 3.02Å |
| 26 | E | 93.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 73.4 Ų | 73.4 | 24% | 0.238 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.1 | -42.2 | 172.7 | -171.1 | -174.3 | -178.4 | 0 | 0 | 111 | D22 G28 T29 L30 V49 | D22-E26 PolarHBondContact O-N 3.21Å; E26-G28 VanDerWaalsContact C-N 3.34Å; E26-G28 PolarHBondContact O-N 3.22Å; E26-T29 PolarHBondContact O-OG1 3.29Å; E26-L30 HydrophobicContact CG-CD1 4.15Å; E26-L30 WeakPolarHBondContact O-CB 3.41Å; E26-L30 WeakPolarHBondContact O-CG 3.4Å; E26-L30 PolarHBondContact O-N 3.11Å; E26-V49 HydrophobicContact CG-CG2 4.11Å |
| 27 | L | 95.5 | Very high | 94 | Very high | 19 Ų | 19 | 76.3 Ų | 76.3 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 176.3 | -175.5 | 61.8 | 0 | 0 | 0 | 112.4 | L23 R24 Q25 R31 I46 V49 R50 I53 | L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 PolarHBondContact O-N 3.12Å; R24-L27 PolarHBondContact O-N 3.35Å; Q25-L27 VanDerWaalsContact C-N 3.29Å; Q25-L27 PolarHBondContact O-N 3.21Å; L27-R31 VanDerWaalsContact O-CG 3.3Å; L27-R31 WeakPolarHBondContact O-CG 3.31Å; L27-R31 PolarHBondContact O-N 3.45Å; L27-I46 HydrophobicContact CD1-CG2 4.12Å; L27-V49 HydrophobicContact CB-CG1 3.91Å; L27-V49 HydrophobicContact CD1-CG1 4.47Å; L27-R50 HydrophobicContact CD1-CG 3.98Å; L27-R50 HydrophobicContact CD2-CG 4.19Å; L27-I53 HydrophobicContact CB-CD1 4.19Å; L27-I53 HydrophobicContact CD2-CD1 3.76Å |
| 28 | G | 94.7 | Very high | 93.3 | Very high | 34 Ų | 34 | 74.4 Ų | 74.4 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R24 Q25 E26 L30 R31 V32 | R24-G28 PolarHBondContact O-N 3.03Å; Q25-G28 PolarHBondContact O-N 3.05Å; Q25-G28 VanDerWaalsContact O-N 3.08Å; E26-G28 VanDerWaalsContact C-N 3.34Å; E26-G28 PolarHBondContact O-N 3.22Å; G28-L30 VanDerWaalsContact C-N 3.35Å; G28-L30 PolarHBondContact O-N 3Å; G28-R31 WeakPolarHBondContact O-CB 3.38Å; G28-R31 PolarHBondContact O-N 3.12Å; G28-R31 VanDerWaalsContact O-N 3.16Å; G28-V32 PolarHBondContact O-N 3.4Å; G28-V32 VanDerWaalsContact O-N 3.16Å |
| 29 | T | 92.8 | Very high | 92.9 | Very high | 86 Ų | 86 | 70.2 Ų | 70.2 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 178.5 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | Q25 E26 R31 V32 A33 | Q25-T29 PolarHBondContact O-N 3.02Å; E26-T29 PolarHBondContact O-OG1 3.29Å; T29-R31 VanDerWaalsContact C-N 3.3Å; T29-R31 PolarHBondContact O-N 3.18Å; T29-V32 PolarHBondContact O-N 2.93Å; T29-A33 WeakPolarHBondContact O-CB 3.33Å; T29-A33 PolarHBondContact O-N 3.43Å |
| 30 | L | 93.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 72.2 Ų | 72.2 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.4 | -30.1 | 176.2 | -69.3 | 174.4 | 0 | 0 | 0 | 113.2 | E26 G28 K34 K42 R45 I46 V49 | E26-L30 HydrophobicContact CG-CD1 4.15Å; E26-L30 WeakPolarHBondContact O-CB 3.41Å; E26-L30 WeakPolarHBondContact O-CG 3.4Å; E26-L30 PolarHBondContact O-N 3.11Å; G28-L30 VanDerWaalsContact C-N 3.35Å; G28-L30 PolarHBondContact O-N 3Å; L30-K34 PolarHBondContact O-N 3.5Å; L30-K42 HydrophobicContact CD2-CB 3.99Å; L30-K42 HydrophobicContact CD2-CG 4.48Å; L30-R45 HydrophobicContact CD1-CB 3.88Å; L30-R45 HydrophobicContact CD2-CB 4.39Å; L30-I46 HydrophobicContact CB-CG1 3.86Å; L30-I46 HydrophobicContact CD1-CG1 4.4Å; L30-V49 HydrophobicContact CD1-CG2 3.89Å |
| 31 | R | 93.1 | Very high | 92.2 | Very high | 145 Ų | 145 | 75.9 Ų | 75.9 | 55% | 0.547 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.4 | -42.1 | 175.1 | -77.2 | 174.3 | 177.2 | -165.9 | -1.2 | 111.8 | L27 G28 T29 A33 K34 M35 | L27-R31 VanDerWaalsContact O-CG 3.3Å; L27-R31 WeakPolarHBondContact O-CG 3.31Å; L27-R31 PolarHBondContact O-N 3.45Å; G28-R31 WeakPolarHBondContact O-CB 3.38Å; G28-R31 PolarHBondContact O-N 3.12Å; G28-R31 VanDerWaalsContact O-N 3.16Å; T29-R31 VanDerWaalsContact C-N 3.3Å; T29-R31 PolarHBondContact O-N 3.18Å; R31-A33 VanDerWaalsContact C-N 3.35Å; R31-K34 WeakPolarHBondContact O-CB 3.47Å; R31-K34 PolarHBondContact O-N 3.46Å; R31-M35 PolarHBondContact O-N 3.01Å |
| 32 | V | 92.7 | Very high | 91.7 | Very high | 95 Ų | 95 | 77.2 Ų | 77.2 | 58% | 0.576 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 173.4 | 177 | 0 | 0 | 0 | 0 | 109.9 | G28 T29 K34 M35 T36 | G28-V32 PolarHBondContact O-N 3.4Å; G28-V32 VanDerWaalsContact O-N 3.16Å; T29-V32 PolarHBondContact O-N 2.93Å; V32-K34 PolarHBondContact O-N 3.03Å; V32-M35 WeakPolarHBondContact O-CB 3.45Å; V32-M35 PolarHBondContact O-N 3.36Å; V32-T36 HydrophobicContact CG1-CG2 4.43Å; V32-T36 PolarHBondContact O-N 2.89Å; V32-T36 VanDerWaalsContact O-N 3.08Å |
| 33 | A | 91.4 | Very high | 91.3 | Very high | 15 Ų | 15 | 76.5 Ų | 76.5 | 12% | 0.124 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.7 | -30.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T29 R31 T36 G38 K42 | T29-A33 WeakPolarHBondContact O-CB 3.33Å; T29-A33 PolarHBondContact O-N 3.43Å; R31-A33 VanDerWaalsContact C-N 3.35Å; A33-T36 PolarHBondContact O-OG1 3.45Å; A33-G38 WeakPolarHBondContact O-CA 3.3Å; A33-G38 PolarHBondContact O-N 2.89Å; A33-K42 HydrophobicContact CB-CD 4.18Å |
| 34 | K | 92.9 | Very high | 91 | Very high | 121 Ų | 121 | 84 Ų | 84 | 53% | 0.526 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 172.3 | 178.4 | -176.1 | 175.5 | -169.8 | 0 | 111.6 | L30 R31 V32 G37 L43 I46 | L30-K34 PolarHBondContact O-N 3.5Å; R31-K34 WeakPolarHBondContact O-CB 3.47Å; R31-K34 PolarHBondContact O-N 3.46Å; V32-K34 PolarHBondContact O-N 3.03Å; K34-G37 PolarHBondContact O-N 3.04Å; K34-L43 HydrophobicContact CB-CD2 3.76Å; K34-L43 HydrophobicContact CG-CD2 3.8Å; K34-I46 HydrophobicContact CB-CD1 4.23Å; K34-I46 HydrophobicContact CD-CD1 4.28Å |
| 35 | M | 91 | Very high | 90.7 | Very high | 150 Ų | 150 | 84.8 Ų | 84.8 | 74% | 0.739 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.4 | -35.8 | -178.6 | -61.7 | -55.7 | 151.5 | 0 | 0 | 112.2 | R31 V32 G37 | R31-M35 PolarHBondContact O-N 3.01Å; V32-M35 WeakPolarHBondContact O-CB 3.45Å; V32-M35 PolarHBondContact O-N 3.36Å; M35-G37 PolarHBondContact O-N 3.27Å |
| 36 | T | 91.2 | Very high | 90.6 | Very high | 109 Ų | 109 | 79.6 Ų | 79.6 | 67% | 0.669 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.6 | 178.5 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | V32 A33 | V32-T36 HydrophobicContact CG1-CG2 4.43Å; V32-T36 PolarHBondContact O-N 2.89Å; V32-T36 VanDerWaalsContact O-N 3.08Å; A33-T36 PolarHBondContact O-OG1 3.45Å |
| 37 | G | 86.9 | Confident | 90.6 | Very high | 69 Ų | 69 | 84.9 Ų | 84.9 | 71% | 0.711 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 32.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K34 M35 | K34-G37 PolarHBondContact O-N 3.04Å; M35-G37 PolarHBondContact O-N 3.27Å |
| 38 | G | 81.6 | Confident | 90.5 | Very high | 24 Ų | 24 | 85.2 Ų | 85.2 | 25% | 0.247 | 47% | 0.465 | C | S | . | . | trans | -66.4 | 165.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A33 | A33-G38 WeakPolarHBondContact O-CA 3.3Å; A33-G38 PolarHBondContact O-N 2.89Å | ||
| 39 | A | 88.6 | Confident | 90.5 | Very high | 57 Ų | 57 | 83.6 Ų | 83.6 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | trans | -49.8 | 142.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S41 K42 L43 | A39-S41 PolarHBondContact O-N 3.41Å; A39-S41 VanDerWaalsContact O-N 3.1Å; A39-K42 WeakPolarHBondContact O-CB 3.41Å; A39-K42 PolarHBondContact O-N 2.92Å; A39-L43 PolarHBondContact O-N 3.42Å | ||
| 40 | A | 87.9 | Confident | 90.6 | Very high | 79 Ų | 79 | 87.3 Ų | 87.3 | 65% | 0.653 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -55.2 | -31.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K42 L43 Y44 | A40-K42 VanDerWaalsContact C-N 3.28Å; A40-K42 PolarHBondContact O-N 2.91Å; A40-L43 WeakPolarHBondContact O-CB 3.49Å; A40-L43 PolarHBondContact O-N 3.42Å; A40-L43 VanDerWaalsContact O-N 3.12Å; A40-Y44 PolarHBondContact O-N 3.32Å; A40-Y44 VanDerWaalsContact O-N 3.1Å |
| 41 | S | 87.5 | Confident | 90.8 | Very high | 85 Ų | 85 | 91.5 Ų | 91.5 | 59% | 0.594 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61 | -33.9 | 175.5 | 61.5 | 0 | 0 | 0 | 0 | 113 | A39 | A39-S41 PolarHBondContact O-N 3.41Å; A39-S41 VanDerWaalsContact O-N 3.1Å |
| 42 | K | 86.4 | Confident | 90.9 | Very high | 107 Ų | 107 | 84.6 Ų | 84.6 | 47% | 0.465 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -72.7 | -37.8 | 173.9 | -65.6 | -177 | 179.3 | 177.4 | 0 | 111.1 | L30 A33 A39 A40 Y44 R45 | L30-K42 HydrophobicContact CD2-CB 3.99Å; L30-K42 HydrophobicContact CD2-CG 4.48Å; A33-K42 HydrophobicContact CB-CD 4.18Å; A39-K42 WeakPolarHBondContact O-CB 3.41Å; A39-K42 PolarHBondContact O-N 2.92Å; A40-K42 VanDerWaalsContact C-N 3.28Å; A40-K42 PolarHBondContact O-N 2.91Å; K42-Y44 PolarHBondContact O-N 3.19Å; K42-R45 WeakPolarHBondContact O-CB 3.46Å; K42-R45 PolarHBondContact O-N 3.01Å |
| 43 | L | 87.5 | Confident | 91.1 | Very high | 75 Ų | 75 | 81 Ų | 81 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 178.8 | -58.9 | -179.5 | 0 | 0 | 0 | 112.4 | K34 A39 A40 R45 I46 | K34-L43 HydrophobicContact CB-CD2 3.76Å; K34-L43 HydrophobicContact CG-CD2 3.8Å; A39-L43 PolarHBondContact O-N 3.42Å; A40-L43 WeakPolarHBondContact O-CB 3.49Å; A40-L43 PolarHBondContact O-N 3.42Å; A40-L43 VanDerWaalsContact O-N 3.12Å; L43-R45 VanDerWaalsContact C-N 3.25Å; L43-R45 PolarHBondContact O-N 2.9Å; L43-I46 HydrophobicContact CD2-CD1 4.32Å; L43-I46 WeakPolarHBondContact O-CB 3.49Å; L43-I46 PolarHBondContact O-N 3.35Å |
| 44 | Y | 89 | Confident | 91.3 | Very high | 168 Ų | 168 | 82.6 Ų | 82.6 | 66% | 0.659 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.9 | -38 | 176.1 | 172.8 | -96.2 | 0 | 0 | 0 | 112.4 | A40 K42 I46 R47 | A40-Y44 PolarHBondContact O-N 3.32Å; A40-Y44 VanDerWaalsContact O-N 3.1Å; K42-Y44 PolarHBondContact O-N 3.19Å; Y44-I46 PolarHBondContact O-N 3.09Å; Y44-R47 PolarHBondContact O-N 3.44Å |
| 45 | R | 91.1 | Very high | 91.4 | Very high | 141 Ų | 141 | 79.7 Ų | 79.7 | 53% | 0.532 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.5 | -27.5 | -178.5 | -72.7 | -177.5 | 174.1 | -166.9 | 1.5 | 113.1 | L30 K42 L43 R47 T48 V49 | L30-R45 HydrophobicContact CD1-CB 3.88Å; L30-R45 HydrophobicContact CD2-CB 4.39Å; K42-R45 WeakPolarHBondContact O-CB 3.46Å; K42-R45 PolarHBondContact O-N 3.01Å; L43-R45 VanDerWaalsContact C-N 3.25Å; L43-R45 PolarHBondContact O-N 2.9Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.07Å; R45-T48 PolarHBondContact O-N 3.21Å; R45-V49 WeakPolarHBondContact O-CG2 3.23Å; R45-V49 PolarHBondContact O-N 2.71Å |
| 46 | I | 93.1 | Very high | 91.7 | Very high | 29 Ų | 29 | 72.5 Ų | 72.5 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.1 | -46.6 | 179.8 | -64.6 | 173 | 0 | 0 | 0 | 111.1 | L27 L30 K34 L43 Y44 T48 V49 R50 | L27-I46 HydrophobicContact CD1-CG2 4.12Å; L30-I46 HydrophobicContact CB-CG1 3.86Å; L30-I46 HydrophobicContact CD1-CG1 4.4Å; K34-I46 HydrophobicContact CB-CD1 4.23Å; K34-I46 HydrophobicContact CD-CD1 4.28Å; L43-I46 HydrophobicContact CD2-CD1 4.32Å; L43-I46 WeakPolarHBondContact O-CB 3.49Å; L43-I46 PolarHBondContact O-N 3.35Å; Y44-I46 PolarHBondContact O-N 3.09Å; I46-T48 VanDerWaalsContact C-N 3.33Å; I46-T48 PolarHBondContact O-N 3.19Å; I46-V49 PolarHBondContact O-N 3.09Å; I46-R50 WeakPolarHBondContact O-CB 3.5Å; I46-R50 VanDerWaalsContact O-CG 3.3Å; I46-R50 WeakPolarHBondContact O-CG 3.38Å; I46-R50 PolarHBondContact O-N 3Å |
| 47 | R | 93.4 | Very high | 91.9 | Very high | 161 Ų | 161 | 70.8 Ų | 70.8 | 61% | 0.608 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 179 | -175.5 | -177.3 | -178.5 | -158.3 | 1 | 111.3 | Y44 R45 K51 | Y44-R47 PolarHBondContact O-N 3.44Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.07Å; R47-K51 WeakPolarHBondContact O-CG 3.32Å; R47-K51 PolarHBondContact O-N 3.15Å; R47-K51 VanDerWaalsContact O-N 3.07Å |
| 48 | T | 93.9 | Very high | 92.3 | Very high | 27 Ų | 27 | 71 Ų | 71 | 17% | 0.166 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | -177.9 | -60.8 | 0 | 0 | 0 | 0 | 112 | H2 R45 I46 S52 | H2-T48 HydrophobicContact CB-CG2 4.05Å; R45-T48 PolarHBondContact O-N 3.21Å; I46-T48 VanDerWaalsContact C-N 3.33Å; I46-T48 PolarHBondContact O-N 3.19Å; T48-S52 WeakPolarHBondContact O-CB 3.4Å; T48-S52 PolarHBondContact O-N 3.21Å; T48-S52 PolarHBondContact O-OG 2.94Å |
| 49 | V | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 177 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | L23 E26 L27 L30 R45 I46 K51 S52 I53 | L23-V49 HydrophobicContact CD2-CG1 4.4Å; L23-V49 VanDerWaalsContact O-CG1 3.31Å; L23-V49 WeakPolarHBondContact O-CG1 3.5Å; E26-V49 HydrophobicContact CG-CG2 4.11Å; L27-V49 HydrophobicContact CB-CG1 3.91Å; L27-V49 HydrophobicContact CD1-CG1 4.47Å; L30-V49 HydrophobicContact CD1-CG2 3.89Å; R45-V49 WeakPolarHBondContact O-CG2 3.23Å; R45-V49 PolarHBondContact O-N 2.71Å; I46-V49 PolarHBondContact O-N 3.09Å; V49-K51 PolarHBondContact O-N 3.47Å; V49-S52 WeakPolarHBondContact O-CA 3.34Å; V49-S52 WeakPolarHBondContact O-CB 3.26Å; V49-S52 PolarHBondContact O-N 2.85Å; V49-I53 HydrophobicContact CG1-CD1 4.09Å; V49-I53 HydrophobicContact CG1-CG1 4.47Å; V49-I53 WeakPolarHBondContact O-CG1 3.44Å; V49-I53 PolarHBondContact O-N 3.15Å |
| 50 | R | 95.7 | Very high | 93.4 | Very high | 163 Ų | 163 | 69 Ų | 69 | 62% | 0.615 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -55.8 | -47 | 175.2 | -75.6 | 179 | 69.2 | -176.9 | 2 | 112.6 | L27 I46 S52 I53 A54 | L27-R50 HydrophobicContact CD1-CG 3.98Å; L27-R50 HydrophobicContact CD2-CG 4.19Å; I46-R50 WeakPolarHBondContact O-CB 3.5Å; I46-R50 VanDerWaalsContact O-CG 3.3Å; I46-R50 WeakPolarHBondContact O-CG 3.38Å; I46-R50 PolarHBondContact O-N 3Å; R50-S52 VanDerWaalsContact C-N 3.3Å; R50-S52 PolarHBondContact O-N 3.07Å; R50-I53 PolarHBondContact O-N 3.28Å; R50-A54 PolarHBondContact O-N 3.31Å; R50-A54 VanDerWaalsContact O-N 3.11Å |
| 51 | K | 96.3 | Very high | 93.7 | Very high | 102 Ų | 102 | 69.1 Ų | 69.1 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 176.3 | -75.7 | -171.2 | 174.8 | -171.8 | 0 | 111.9 | R47 V49 A54 R55 | R47-K51 WeakPolarHBondContact O-CG 3.32Å; R47-K51 PolarHBondContact O-N 3.15Å; R47-K51 VanDerWaalsContact O-N 3.07Å; V49-K51 PolarHBondContact O-N 3.47Å; K51-A54 PolarHBondContact O-N 2.97Å; K51-R55 WeakPolarHBondContact O-CG 3.5Å; K51-R55 PolarHBondContact O-N 3.32Å; K51-R55 VanDerWaalsContact O-N 3.09Å |
| 52 | S | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.7 | -43 | 177.9 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | M1 V3 T48 V49 R50 A54 R55 V56 | M1-S52 PolarHBondContact O-OG 3.45Å; V3-S52 PolarHBondContact N-OG 3.08Å; T48-S52 WeakPolarHBondContact O-CB 3.4Å; T48-S52 PolarHBondContact O-N 3.21Å; T48-S52 PolarHBondContact O-OG 2.94Å; V49-S52 WeakPolarHBondContact O-CA 3.34Å; V49-S52 WeakPolarHBondContact O-CB 3.26Å; V49-S52 PolarHBondContact O-N 2.85Å; R50-S52 VanDerWaalsContact C-N 3.3Å; R50-S52 PolarHBondContact O-N 3.07Å; S52-A54 VanDerWaalsContact C-N 3.33Å; S52-A54 PolarHBondContact O-N 2.97Å; S52-R55 WeakPolarHBondContact O-CB 3.35Å; S52-R55 PolarHBondContact O-N 3.49Å; S52-V56 PolarHBondContact O-N 3.39Å; S52-V56 VanDerWaalsContact O-N 3.09Å |
| 53 | I | 96.1 | Very high | 94.5 | Very high | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.1 | -48.4 | 172.2 | -69.4 | 169.4 | 0 | 0 | 0 | 110.6 | L20 L23 R24 L27 V49 R50 R55 V56 F57 | L20-I53 HydrophobicContact CD1-CG2 3.9Å; L23-I53 HydrophobicContact CB-CD1 4.33Å; L23-I53 HydrophobicContact CB-CG1 3.69Å; L23-I53 HydrophobicContact CD1-CG1 4.37Å; R24-I53 HydrophobicContact CG-CD1 4.39Å; L27-I53 HydrophobicContact CB-CD1 4.19Å; L27-I53 HydrophobicContact CD2-CD1 3.76Å; V49-I53 HydrophobicContact CG1-CD1 4.09Å; V49-I53 HydrophobicContact CG1-CG1 4.47Å; V49-I53 WeakPolarHBondContact O-CG1 3.44Å; V49-I53 PolarHBondContact O-N 3.15Å; R50-I53 PolarHBondContact O-N 3.28Å; I53-R55 VanDerWaalsContact C-N 3.3Å; I53-R55 PolarHBondContact O-N 2.97Å; I53-V56 PolarHBondContact O-N 3.27Å; I53-F57 HydrophobicContact CG2-CD2 3.73Å; I53-F57 HydrophobicContact CG2-CE2 3.56Å; I53-F57 WeakPolarHBondContact O-CD2 3.01Å; I53-F57 PolarHBondContact O-N 3.25Å |
| 54 | A | 96.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 69 Ų | 69 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | R50 K51 S52 T58 | R50-A54 PolarHBondContact O-N 3.31Å; R50-A54 VanDerWaalsContact O-N 3.11Å; K51-A54 PolarHBondContact O-N 2.97Å; S52-A54 VanDerWaalsContact C-N 3.33Å; S52-A54 PolarHBondContact O-N 2.97Å; A54-T58 WeakPolarHBondContact O-CB 3.44Å; A54-T58 PolarHBondContact O-N 3.15Å; A54-T58 PolarHBondContact O-OG1 2.9Å |
| 55 | R | 95.6 | Very high | 95.2 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 22% | 0.223 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 175.3 | -71.7 | 173.4 | -160.9 | 138.2 | 6.9 | 112.5 | H2 V3 L8 K51 S52 I53 T58 V59 | H2-R55 PolarHBondContact CE1-NH1 3.16Å; H2-R55 PolarHBondContact CE1-NH2 3.3Å; H2-R55 PolarHBondContact ND1-NH1 2.93Å; H2-R55 PolarHBondContact NE2-NH1 3.22Å; V3-R55 WeakPolarHBondContact O-CD 3.37Å; V3-R55 PolarHBondContact O-NH1 2.77Å; L8-R55 HydrophobicContact CD1-CB 4.38Å; K51-R55 WeakPolarHBondContact O-CG 3.5Å; K51-R55 PolarHBondContact O-N 3.32Å; K51-R55 VanDerWaalsContact O-N 3.09Å; S52-R55 WeakPolarHBondContact O-CB 3.35Å; S52-R55 PolarHBondContact O-N 3.49Å; I53-R55 VanDerWaalsContact C-N 3.3Å; I53-R55 PolarHBondContact O-N 2.97Å; R55-T58 WeakPolarHBondContact O-CB 3.4Å; R55-T58 PolarHBondContact O-N 3.26Å; R55-T58 VanDerWaalsContact O-N 3.16Å; R55-V59 WeakPolarHBondContact O-CG2 3.37Å; R55-V59 PolarHBondContact O-N 3.36Å |
| 56 | V | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | L8 L16 L20 L23 S52 I53 T58 V59 M60 | L8-V56 HydrophobicContact CD1-CB 4.46Å; L8-V56 HydrophobicContact CD1-CG2 3.81Å; L8-V56 HydrophobicContact CD2-CG2 4.24Å; L16-V56 HydrophobicContact CB-CG1 4.39Å; L20-V56 HydrophobicContact CB-CG1 4.09Å; L20-V56 HydrophobicContact CD1-CB 4.47Å; L20-V56 HydrophobicContact CD1-CG1 4.3Å; L23-V56 HydrophobicContact CD1-CG2 4.04Å; S52-V56 PolarHBondContact O-N 3.39Å; S52-V56 VanDerWaalsContact O-N 3.09Å; I53-V56 PolarHBondContact O-N 3.27Å; V56-T58 VanDerWaalsContact C-N 3.29Å; V56-T58 PolarHBondContact O-N 3.02Å; V56-V59 PolarHBondContact O-N 3.49Å; V56-M60 HydrophobicContact CG1-CG 4.46Å; V56-M60 HydrophobicContact CG1-SD 3.99Å; V56-M60 WeakPolarHBondContact O-CG 3.41Å; V56-M60 PolarHBondContact O-N 2.99Å |
| 57 | F | 96.1 | Very high | 95.4 | Very high | 73 Ų | 73 | 68.6 Ų | 68.6 | 32% | 0.32 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -40 | 174.3 | -81.4 | -57.4 | 0 | 0 | 0 | 113.4 | L20 I53 N61 | L20-F57 HydrophobicContact CD1-CD2 4.16Å; L20-F57 HydrophobicContact CD1-CE1 4.37Å; L20-F57 HydrophobicContact CD1-CE2 3.74Å; L20-F57 HydrophobicContact CD1-CZ 3.85Å; L20-F57 HydrophobicContact CD2-CD1 4.39Å; L20-F57 HydrophobicContact CD2-CE1 3.65Å; L20-F57 HydrophobicContact CD2-CE2 4.4Å; L20-F57 HydrophobicContact CD2-CZ 3.66Å; L20-F57 HydrophobicContact CG-CZ 4.33Å; I53-F57 HydrophobicContact CG2-CD2 3.73Å; I53-F57 HydrophobicContact CG2-CE2 3.56Å; I53-F57 WeakPolarHBondContact O-CD2 3.01Å; I53-F57 PolarHBondContact O-N 3.25Å; F57-N61 VanDerWaalsContact O-CB 3.3Å; F57-N61 WeakPolarHBondContact O-CB 3.46Å; F57-N61 VanDerWaalsContact O-CG 3.28Å; F57-N61 PolarHBondContact O-N 3.45Å; F57-N61 PolarHBondContact O-ND2 3.26Å |
| 58 | T | 96.6 | Very high | 95.5 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | -179.7 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | A54 R55 V56 N61 Q62 | A54-T58 WeakPolarHBondContact O-CB 3.44Å; A54-T58 PolarHBondContact O-N 3.15Å; A54-T58 PolarHBondContact O-OG1 2.9Å; R55-T58 WeakPolarHBondContact O-CB 3.4Å; R55-T58 PolarHBondContact O-N 3.26Å; R55-T58 VanDerWaalsContact O-N 3.16Å; V56-T58 VanDerWaalsContact C-N 3.29Å; V56-T58 PolarHBondContact O-N 3.02Å; T58-N61 PolarHBondContact O-N 3.5Å; T58-Q62 WeakPolarHBondContact O-CB 3.3Å; T58-Q62 VanDerWaalsContact O-CG 3.23Å; T58-Q62 WeakPolarHBondContact O-CG 3.23Å; T58-Q62 PolarHBondContact O-N 2.96Å |
| 59 | V | 96 | Very high | 95.6 | Very high | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 178.6 | 174.8 | 0 | 0 | 0 | 0 | 111 | L8 R9 L16 R55 V56 N61 Q62 T63 | L8-V59 HydrophobicContact CB-CB 4.29Å; L8-V59 HydrophobicContact CB-CG1 4.06Å; L8-V59 HydrophobicContact CB-CG2 4.04Å; L8-V59 HydrophobicContact CD1-CG2 4.15Å; R9-V59 HydrophobicContact CG-CG1 4.17Å; L16-V59 HydrophobicContact CD1-CG1 4.48Å; R55-V59 WeakPolarHBondContact O-CG2 3.37Å; R55-V59 PolarHBondContact O-N 3.36Å; V56-V59 PolarHBondContact O-N 3.49Å; V59-N61 VanDerWaalsContact C-N 3.34Å; V59-N61 PolarHBondContact O-N 3.48Å; V59-Q62 WeakPolarHBondContact O-CB 3.46Å; V59-Q62 PolarHBondContact O-N 2.98Å; V59-T63 PolarHBondContact O-N 3.46Å; V59-T63 PolarHBondContact O-OG1 3.24Å |
| 60 | M | 95.7 | Very high | 95.7 | Very high | 35 Ų | 35 | 74.7 Ų | 74.7 | 17% | 0.172 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.6 | -46.9 | 175.1 | -71.3 | 176.7 | 69.5 | 0 | 0 | 111.9 | L16 I17 V56 T63 Q64 | L16-M60 HydrophobicContact CB-CG 3.95Å; L16-M60 HydrophobicContact CB-SD 4.09Å; L16-M60 HydrophobicContact CD1-CG 3.77Å; L16-M60 HydrophobicContact CG-CG 4.47Å; I17-M60 HydrophobicContact CD1-CE 4.42Å; I17-M60 HydrophobicContact CG1-CE 3.74Å; V56-M60 HydrophobicContact CG1-CG 4.46Å; V56-M60 HydrophobicContact CG1-SD 3.99Å; V56-M60 WeakPolarHBondContact O-CG 3.41Å; V56-M60 PolarHBondContact O-N 2.99Å; M60-T63 PolarHBondContact O-N 3.36Å; M60-Q64 WeakPolarHBondContact O-CB 3.1Å; M60-Q64 PolarHBondContact O-N 3.44Å |
| 61 | N | 95.7 | Very high | 95.7 | Very high | 83 Ų | 83 | 73.8 Ų | 73.8 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 178.5 | -76 | -23.6 | 0 | 0 | 0 | 112.7 | F57 T58 V59 K65 | F57-N61 VanDerWaalsContact O-CB 3.3Å; F57-N61 WeakPolarHBondContact O-CB 3.46Å; F57-N61 VanDerWaalsContact O-CG 3.28Å; F57-N61 PolarHBondContact O-N 3.45Å; F57-N61 PolarHBondContact O-ND2 3.26Å; T58-N61 PolarHBondContact O-N 3.5Å; V59-N61 VanDerWaalsContact C-N 3.34Å; V59-N61 PolarHBondContact O-N 3.48Å; N61-K65 WeakPolarHBondContact O-CB 3.26Å; N61-K65 WeakPolarHBondContact O-CG 3.33Å; N61-K65 PolarHBondContact O-N 3.47Å |
| 62 | Q | 95.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 72 Ų | 72 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -53.5 | 174.8 | -80.1 | 175.2 | -7.6 | 0 | 0 | 110.6 | R9 T58 V59 Q64 K65 E66 | R9-Q62 VanDerWaalsContact NH2-OE1 3.13Å; T58-Q62 WeakPolarHBondContact O-CB 3.3Å; T58-Q62 VanDerWaalsContact O-CG 3.23Å; T58-Q62 WeakPolarHBondContact O-CG 3.23Å; T58-Q62 PolarHBondContact O-N 2.96Å; V59-Q62 WeakPolarHBondContact O-CB 3.46Å; V59-Q62 PolarHBondContact O-N 2.98Å; Q62-Q64 PolarHBondContact O-N 3.38Å; Q62-K65 PolarHBondContact O-N 3.17Å; Q62-E66 WeakPolarHBondContact O-CB 3.26Å; Q62-E66 PolarHBondContact O-N 2.93Å |
| 63 | T | 94.6 | Very high | 95.6 | Very high | 64 Ų | 64 | 78.3 Ų | 78.3 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 179.1 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | V59 M60 K65 E66 N67 | V59-T63 PolarHBondContact O-N 3.46Å; V59-T63 PolarHBondContact O-OG1 3.24Å; M60-T63 PolarHBondContact O-N 3.36Å; T63-K65 PolarHBondContact O-N 2.99Å; T63-E66 PolarHBondContact O-N 2.98Å; T63-N67 VanDerWaalsContact O-CG 3.25Å; T63-N67 PolarHBondContact O-N 3.32Å |
| 64 | Q | 94.5 | Very high | 95.5 | Very high | 113 Ų | 113 | 84.7 Ų | 84.7 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 176.4 | -175.4 | 179.1 | 3.7 | 0 | 0 | 111.9 | M60 Q62 E66 N67 N68 | M60-Q64 WeakPolarHBondContact O-CB 3.1Å; M60-Q64 PolarHBondContact O-N 3.44Å; Q62-Q64 PolarHBondContact O-N 3.38Å; Q64-E66 VanDerWaalsContact C-N 3.35Å; Q64-E66 PolarHBondContact O-N 3.33Å; Q64-N67 PolarHBondContact O-N 3.48Å; Q64-N68 WeakPolarHBondContact O-CB 3.33Å; Q64-N68 VanDerWaalsContact O-CG 3.23Å; Q64-N68 PolarHBondContact O-N 3.48Å; Q64-N68 PolarHBondContact O-OD1 3.01Å |
| 65 | K | 95.5 | Very high | 95.5 | Very high | 108 Ų | 108 | 86.4 Ų | 86.4 | 47% | 0.47 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 177.6 | -78.6 | -175.8 | 177.4 | -176.2 | 0 | 112.1 | N61 Q62 T63 N68 R69 | N61-K65 WeakPolarHBondContact O-CB 3.26Å; N61-K65 WeakPolarHBondContact O-CG 3.33Å; N61-K65 PolarHBondContact O-N 3.47Å; Q62-K65 PolarHBondContact O-N 3.17Å; T63-K65 PolarHBondContact O-N 2.99Å; K65-N68 PolarHBondContact O-N 3.31Å; K65-R69 WeakPolarHBondContact O-CB 3.46Å; K65-R69 VanDerWaalsContact O-CG 3.26Å; K65-R69 WeakPolarHBondContact O-CG 3.5Å; K65-R69 PolarHBondContact O-N 3.18Å |
| 66 | E | 95 | Very high | 95.4 | Very high | 124 Ų | 124 | 92.4 Ų | 92.4 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.3 | -49.1 | 175.9 | -175.9 | 168.5 | -159.7 | 0 | 0 | 111.4 | Q62 T63 Q64 N68 R69 M70 | Q62-E66 WeakPolarHBondContact O-CB 3.26Å; Q62-E66 PolarHBondContact O-N 2.93Å; T63-E66 PolarHBondContact O-N 2.98Å; Q64-E66 VanDerWaalsContact C-N 3.35Å; Q64-E66 PolarHBondContact O-N 3.33Å; E66-N68 VanDerWaalsContact C-N 3.32Å; E66-N68 PolarHBondContact O-N 3.21Å; E66-R69 WeakPolarHBondContact O-CB 3.49Å; E66-R69 PolarHBondContact O-N 3.37Å; E66-R69 VanDerWaalsContact O-N 3.08Å; E66-M70 WeakPolarHBondContact O-CG 3.37Å; E66-M70 PolarHBondContact O-N 3.4Å |
| 67 | N | 94.8 | Very high | 95.3 | Very high | 98 Ų | 98 | 99.9 Ų | 99.9 | 52% | 0.524 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 175.3 | -67.9 | -11.1 | 0 | 0 | 0 | 111.8 | T63 Q64 R69 M70 Y71 | T63-N67 VanDerWaalsContact O-CG 3.25Å; T63-N67 PolarHBondContact O-N 3.32Å; Q64-N67 PolarHBondContact O-N 3.48Å; N67-R69 PolarHBondContact O-N 2.98Å; N67-M70 PolarHBondContact O-N 3.38Å; N67-Y71 PolarHBondContact O-N 3.32Å |
| 68 | N | 95.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 100 Ų | 100 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 175.9 | -71.1 | -7.5 | 0 | 0 | 0 | 111.9 | Q64 K65 E66 M70 Y71 Y72 L82 | Q64-N68 WeakPolarHBondContact O-CB 3.33Å; Q64-N68 VanDerWaalsContact O-CG 3.23Å; Q64-N68 PolarHBondContact O-N 3.48Å; Q64-N68 PolarHBondContact O-OD1 3.01Å; K65-N68 PolarHBondContact O-N 3.31Å; E66-N68 VanDerWaalsContact C-N 3.32Å; E66-N68 PolarHBondContact O-N 3.21Å; N68-M70 VanDerWaalsContact C-N 3.3Å; N68-M70 PolarHBondContact O-N 3.45Å; N68-Y71 PolarHBondContact O-N 2.91Å; N68-Y72 WeakPolarHBondContact O-CB 3.48Å; N68-Y72 VanDerWaalsContact O-CD2 3.26Å; N68-Y72 WeakPolarHBondContact O-CD2 3.49Å; N68-Y72 PolarHBondContact O-N 3.06Å; N68-L82 HydrophobicContact CB-CD1 4.09Å |
| 69 | R | 96.1 | Very high | 95.2 | Very high | 132 Ų | 132 | 98.7 Ų | 98.7 | 50% | 0.498 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 175.6 | -75.7 | 178.7 | -170.3 | -67.6 | -2.7 | 111.9 | K65 E66 N67 K73 L82 | K65-R69 WeakPolarHBondContact O-CB 3.46Å; K65-R69 VanDerWaalsContact O-CG 3.26Å; K65-R69 WeakPolarHBondContact O-CG 3.5Å; K65-R69 PolarHBondContact O-N 3.18Å; E66-R69 WeakPolarHBondContact O-CB 3.49Å; E66-R69 PolarHBondContact O-N 3.37Å; E66-R69 VanDerWaalsContact O-N 3.08Å; N67-R69 PolarHBondContact O-N 2.98Å; R69-K73 WeakPolarHBondContact O-CA 3.49Å; R69-K73 PolarHBondContact O-N 2.96Å; R69-L82 HydrophobicContact CG-CD2 3.91Å; R69-L82 PolarHBondContact NH1-O 3.46Å |
| 70 | M | 96 | Very high | 95.1 | Very high | 128 Ų | 128 | 104.8 Ų | 104.8 | 63% | 0.631 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.9 | -48.9 | 175.6 | -68.2 | -61.3 | -77.4 | 0 | 0 | 111.2 | E66 N67 N68 Y72 K73 | E66-M70 WeakPolarHBondContact O-CG 3.37Å; E66-M70 PolarHBondContact O-N 3.4Å; N67-M70 PolarHBondContact O-N 3.38Å; N68-M70 VanDerWaalsContact C-N 3.3Å; N68-M70 PolarHBondContact O-N 3.45Å; M70-Y72 VanDerWaalsContact C-N 3.33Å; M70-Y72 PolarHBondContact O-N 3.23Å; M70-K73 WeakPolarHBondContact O-CB 3.43Å; M70-K73 PolarHBondContact O-N 3.38Å |
| 71 | Y | 95.9 | Very high | 95 | Very high | 144 Ų | 144 | 107.5 Ų | 107.5 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -38.6 | 178.1 | 179.5 | -104.4 | 0 | 0 | 0 | 113.5 | N67 N68 K75 | N67-Y71 PolarHBondContact O-N 3.32Å; N68-Y71 PolarHBondContact O-N 2.91Å; Y71-K75 WeakPolarHBondContact O-CE 3.45Å; Y71-K75 PolarHBondContact OH-NZ 3.22Å |
| 72 | Y | 96.7 | Very high | 94.9 | Very high | 64 Ų | 64 | 104.1 Ų | 104.1 | 25% | 0.251 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 9 | 179.6 | -71.7 | -76 | 0 | 0 | 0 | 114.1 | N68 M70 N74 K75 K78 P79 L82 | N68-Y72 WeakPolarHBondContact O-CB 3.48Å; N68-Y72 VanDerWaalsContact O-CD2 3.26Å; N68-Y72 WeakPolarHBondContact O-CD2 3.49Å; N68-Y72 PolarHBondContact O-N 3.06Å; M70-Y72 VanDerWaalsContact C-N 3.33Å; M70-Y72 PolarHBondContact O-N 3.23Å; Y72-N74 VanDerWaalsContact C-N 3.33Å; Y72-N74 PolarHBondContact O-N 3.3Å; Y72-K75 HydrophobicContact CD1-CB 4.24Å; Y72-K75 HydrophobicContact CD1-CD 3.8Å; Y72-K75 HydrophobicContact CE1-CD 4.2Å; Y72-K75 PolarHBondContact O-N 3.36Å; Y72-K78 WeakPolarHBondContact O-CE 3.04Å; Y72-K78 PolarHBondContact O-NZ 3.35Å; Y72-P79 HydrophobicContact CD2-CG 4.35Å; Y72-P79 HydrophobicContact CE1-CG 4.19Å; Y72-P79 HydrophobicContact CE2-CG 3.93Å; Y72-L82 HydrophobicContact CD2-CD1 3.74Å; Y72-L82 HydrophobicContact CG-CD1 4.27Å |
| 73 | K | 93.8 | Very high | 94.8 | Very high | 132 Ų | 132 | 106.1 Ų | 106.1 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -45.6 | -170.7 | -171.2 | 174.3 | 177.4 | 179.2 | 0 | 113.1 | R69 M70 K78 | R69-K73 WeakPolarHBondContact O-CA 3.49Å; R69-K73 PolarHBondContact O-N 2.96Å; M70-K73 WeakPolarHBondContact O-CB 3.43Å; M70-K73 PolarHBondContact O-N 3.38Å; K73-K78 PolarHBondContact O-NZ 3.44Å |
| 74 | N | 93.7 | Very high | 94.8 | Very high | 153 Ų | 153 | 107.9 Ų | 107.9 | 82% | 0.818 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 2.6 | -174.9 | -60.9 | -22.4 | 0 | 0 | 0 | 114 | Y72 | Y72-N74 VanDerWaalsContact C-N 3.33Å; Y72-N74 PolarHBondContact O-N 3.3Å |
| 75 | K | 95.7 | Very high | 94.8 | Very high | 86 Ų | 86 | 112.8 Ų | 112.8 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | trans | -79.9 | 136.6 | 179.9 | -62.4 | -174 | 179.5 | -174.3 | 0 | 110.3 | Y71 Y72 K78 | Y71-K75 WeakPolarHBondContact O-CE 3.45Å; Y71-K75 PolarHBondContact OH-NZ 3.22Å; Y72-K75 HydrophobicContact CD1-CB 4.24Å; Y72-K75 HydrophobicContact CD1-CD 3.8Å; Y72-K75 HydrophobicContact CE1-CD 4.2Å; Y72-K75 PolarHBondContact O-N 3.36Å; K75-K78 WeakPolarHBondContact O-CE 3.42Å; K75-K78 WeakPolarHBondContact O-CG 3.37Å | ||
| 76 | K | 94.2 | Very high | 94.9 | Very high | 184 Ų | 184 | 114 Ų | 114 | 80% | 0.8 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -61.1 | -47.6 | 176.9 | -177.5 | 176.9 | 179.7 | 179.2 | 0 | 111.6 | K78 | K76-K78 PolarHBondContact O-N 2.95Š|
| 77 | F | 94.2 | Very high | 95 | Very high | 157 Ų | 157 | 112.1 Ų | 112.1 | 69% | 0.689 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -94.1 | 88 | -176.3 | -57.1 | -65.1 | 0 | 0 | 0 | 111 | ||
| 78 | K | 93.5 | Very high | 95.1 | Very high | 75 Ų | 75 | 116.3 Ų | 116.3 | 33% | 0.326 | 54% | 0.535 | S | S | . | . | trans | -86.1 | 139.6 | 172.1 | -53 | -169.8 | -171.4 | -164.6 | 0 | 110.4 | Y72 K73 K75 K76 R83 | Y72-K78 WeakPolarHBondContact O-CE 3.04Å; Y72-K78 PolarHBondContact O-NZ 3.35Å; K73-K78 PolarHBondContact O-NZ 3.44Å; K75-K78 WeakPolarHBondContact O-CE 3.42Å; K75-K78 WeakPolarHBondContact O-CG 3.37Å; K76-K78 PolarHBondContact O-N 2.95Å; K78-R83 HydrophobicContact CB-CG 4.48Å; K78-R83 PolarHBondContact O-NE 3.29Å; K78-R83 PolarHBondContact O-NH2 3.29Å | ||
| 79 | P | 96 | Very high | 95.2 | Very high | 45 Ų | 45 | 117.2 Ų | 117.2 | 29% | 0.292 | 55% | 0.551 | S | S | . | * | trans | -50.2 | 147.9 | 166.7 | -31.7 | 39.6 | 0 | 0 | 0 | 112.9 | Y72 D81 L82 R83 | Y72-P79 HydrophobicContact CD2-CG 4.35Å; Y72-P79 HydrophobicContact CE1-CG 4.19Å; Y72-P79 HydrophobicContact CE2-CG 3.93Å; P79-D81 VanDerWaalsContact C-N 3.27Å; P79-D81 WeakPolarHBondContact CB-OD1 3.44Å; P79-D81 PolarHBondContact O-N 3.25Å; P79-L82 PolarHBondContact O-N 2.97Å; P79-R83 WeakPolarHBondContact O-CG 3.43Å; P79-R83 PolarHBondContact O-N 3.48Å | ||
| 80 | L | 95.1 | Very high | 95.3 | Very high | 132 Ų | 132 | 118 Ų | 118 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -32.7 | -173.5 | -71 | 175.1 | 0 | 0 | 0 | 113.4 | L82 R83 | L80-L82 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 2.89Å; L80-R83 PolarHBondContact O-N 3.08Å |
| 81 | D | 93.4 | Very high | 95.3 | Very high | 93 Ų | 93 | 120 Ų | 120 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | -29.6 | 178.6 | 68.4 | -43 | 0 | 0 | 0 | 113.4 | P79 | P79-D81 VanDerWaalsContact C-N 3.27Å; P79-D81 WeakPolarHBondContact CB-OD1 3.44Å; P79-D81 PolarHBondContact O-N 3.25Å |
| 82 | L | 94.2 | Very high | 95.3 | Very high | 12 Ų | 12 | 119 Ų | 119 | 6% | 0.063 | 56% | 0.562 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | -17.8 | 179.4 | -63 | -176.5 | 0 | 0 | 0 | 113.3 | N68 R69 Y72 P79 L80 | N68-L82 HydrophobicContact CB-CD1 4.09Å; R69-L82 HydrophobicContact CG-CD2 3.91Å; R69-L82 PolarHBondContact NH1-O 3.46Å; Y72-L82 HydrophobicContact CD2-CD1 3.74Å; Y72-L82 HydrophobicContact CG-CD1 4.27Å; P79-L82 PolarHBondContact O-N 2.97Å; L80-L82 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 2.89Å |
| 83 | R | 93.3 | Very high | 95.3 | Very high | 129 Ų | 129 | 118.6 Ų | 118.6 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -65.6 | 147.9 | -179.5 | -66.7 | -178.7 | -167.5 | -175 | 2.2 | 110.8 | K78 P79 L80 K85 | K78-R83 HydrophobicContact CB-CG 4.48Å; K78-R83 PolarHBondContact O-NE 3.29Å; K78-R83 PolarHBondContact O-NH2 3.29Å; P79-R83 WeakPolarHBondContact O-CG 3.43Å; P79-R83 PolarHBondContact O-N 3.48Å; L80-R83 PolarHBondContact O-N 3.08Å; R83-K85 PolarHBondContact O-N 3.32Å |
| 84 | P | 94.1 | Very high | 95.4 | Very high | 100 Ų | 100 | 117.5 Ų | 117.5 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | trans | -62.8 | 128.5 | 175.7 | 26.1 | -33.9 | 0 | 0 | 0 | 110.6 | K86 | P84-K86 PolarHBondContact O-N 3.1Å; P84-K86 VanDerWaalsContact O-N 3.15Å | ||
| 85 | K | 95.3 | Very high | 95.6 | Very high | 217 Ų | 217 | 113.9 Ų | 113.9 | 94% | 0.943 | 56% | 0.555 | S | S | * | * | trans | -76.6 | 100.8 | 176.8 | -169.6 | 173.2 | -178.5 | 178.6 | 0 | 109.6 | R83 | R83-K85 PolarHBondContact O-N 3.32Š| ||
| 86 | K | 96.1 | Very high | 95.6 | Very high | 134 Ų | 134 | 117.3 Ų | 117.3 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | trans | -114.8 | 166.6 | 173.5 | -62.9 | -178.3 | -179.5 | 179.6 | 0 | 109.7 | P84 K90 | P84-K86 PolarHBondContact O-N 3.1Å; P84-K86 VanDerWaalsContact O-N 3.15Å; K86-K90 HydrophobicContact CB-CB 4.17Å | ||
| 87 | T | 97.8 | Very high | 95.8 | Very high | 83 Ų | 83 | 118.2 Ų | 118.2 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | trans | -64.3 | 152.6 | 168.8 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | A89 K90 R91 | T87-A89 VanDerWaalsContact C-N 3.28Å; T87-A89 PolarHBondContact O-N 3.15Å; T87-K90 PolarHBondContact O-N 3.04Å; T87-K90 VanDerWaalsContact O-N 3.11Å; T87-K90 WeakPolarHBondContact OG1-CB 3.49Å; T87-K90 VanDerWaalsContact OG1-CG 3.3Å; T87-K90 WeakPolarHBondContact OG1-CG 3.3Å; T87-K90 PolarHBondContact OG1-N 3.3Å; T87-R91 PolarHBondContact O-N 3.05Å | ||
| 88 | R | 97.2 | Very high | 95.9 | Very high | 186 Ų | 186 | 115.4 Ų | 115.4 | 70% | 0.702 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -54.1 | -46.2 | 179 | -178.7 | 176.4 | -179.5 | 148.8 | -0.9 | 111.4 | K90 R91 L92 | R88-K90 PolarHBondContact O-N 3.13Å; R88-R91 PolarHBondContact O-N 3.45Å; R88-R91 VanDerWaalsContact O-N 3.13Å; R88-L92 HydrophobicContact CG-CD1 4.03Å; R88-L92 WeakPolarHBondContact O-CG 3.43Å; R88-L92 PolarHBondContact O-N 3.11Å; R88-L92 VanDerWaalsContact O-N 3.1Å |
| 89 | A | 97.8 | Very high | 96 | Very high | 75 Ų | 75 | 119.5 Ų | 119.5 | 62% | 0.62 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -56.4 | -47.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T87 R91 L92 A93 | T87-A89 VanDerWaalsContact C-N 3.28Å; T87-A89 PolarHBondContact O-N 3.15Å; A89-R91 VanDerWaalsContact C-N 3.26Å; A89-R91 PolarHBondContact O-N 3.37Å; A89-L92 PolarHBondContact O-N 3.33Å; A89-A93 PolarHBondContact O-N 2.77Å |
| 90 | K | 96.8 | Very high | 96 | Very high | 150 Ų | 150 | 121.9 Ų | 121.9 | 65% | 0.652 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -26 | 178 | -75 | -179.9 | -179.1 | -179.8 | 0 | 113.6 | K86 T87 R88 | K86-K90 HydrophobicContact CB-CB 4.17Å; T87-K90 PolarHBondContact O-N 3.04Å; T87-K90 VanDerWaalsContact O-N 3.11Å; T87-K90 WeakPolarHBondContact OG1-CB 3.49Å; T87-K90 VanDerWaalsContact OG1-CG 3.3Å; T87-K90 WeakPolarHBondContact OG1-CG 3.3Å; T87-K90 PolarHBondContact OG1-N 3.3Å; R88-K90 PolarHBondContact O-N 3.13Å |
| 91 | R | 95.9 | Very high | 96.1 | Very high | 169 Ų | 169 | 121.3 Ų | 121.3 | 64% | 0.638 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -78.8 | -33.5 | 177.4 | -179 | 176.1 | 58.8 | -165.5 | -2.4 | 112.5 | T87 R88 A89 | T87-R91 PolarHBondContact O-N 3.05Å; R88-R91 PolarHBondContact O-N 3.45Å; R88-R91 VanDerWaalsContact O-N 3.13Å; A89-R91 VanDerWaalsContact C-N 3.26Å; A89-R91 PolarHBondContact O-N 3.37Å |
| 92 | L | 96.1 | Very high | 96.2 | Very high | 124 Ų | 124 | 120.6 Ų | 120.6 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -87.1 | -17.2 | 179.8 | -64.7 | 176.6 | 0 | 0 | 0 | 113.4 | R88 A89 | R88-L92 HydrophobicContact CG-CD1 4.03Å; R88-L92 WeakPolarHBondContact O-CG 3.43Å; R88-L92 PolarHBondContact O-N 3.11Å; R88-L92 VanDerWaalsContact O-N 3.1Å; A89-L92 PolarHBondContact O-N 3.33Å |
| 93 | A | 96.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 124.3 Ų | 124.3 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -60.1 | 142.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A89 | A89-A93 PolarHBondContact O-N 2.77Š|
| 94 | L | 96.7 | Very high | 96.4 | Very high | 108 Ų | 108 | 129.1 Ų | 129.1 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 145.6 | 173.6 | -65.9 | 176 | 0 | 0 | 0 | 111.8 | E98 R99 | L94-E98 HydrophobicContact CB-CB 4.18Å; L94-E98 HydrophobicContact CD2-CB 4.4Å; L94-R99 PolarHBondContact O-NH2 2.96Å; L94-R99 VanDerWaalsContact O-NH2 3.1Å |
| 95 | T | 96.6 | Very high | 96.6 | Very high | 77 Ų | 77 | 133.1 Ų | 133.1 | 47% | 0.472 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 155 | 172.4 | 66.2 | 0 | 0 | 0 | 0 | 110.4 | R97 E98 R99 | T95-R97 PolarHBondContact O-N 2.7Å; T95-E98 WeakPolarHBondContact CB-OE2 3.28Å; T95-E98 WeakPolarHBondContact CG2-OE2 3.33Å; T95-E98 PolarHBondContact N-OE2 3.08Å; T95-E98 PolarHBondContact O-N 3.19Å; T95-E98 VanDerWaalsContact OG1-CG 3.25Å; T95-E98 WeakPolarHBondContact OG1-CG 3.48Å; T95-E98 PolarHBondContact OG1-N 3.1Å; T95-E98 PolarHBondContact OG1-OE2 3.29Å; T95-R99 WeakPolarHBondContact O-CB 3.39Å; T95-R99 PolarHBondContact O-N 3.39Å |
| 96 | K | 97.1 | Very high | 96.6 | Very high | 159 Ų | 159 | 125.4 Ų | 125.4 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -56.7 | -34.3 | 176.9 | -174.4 | 178.2 | 179.2 | -177.3 | 0 | 111.6 | N100 | K96-N100 VanDerWaalsContact O-CB 3.25Å; K96-N100 WeakPolarHBondContact O-CB 3.25Å; K96-N100 PolarHBondContact O-N 2.81Å; K96-N100 PolarHBondContact O-ND2 3.24Å |
| 97 | R | 97.3 | Very high | 96.6 | Very high | 202 Ų | 202 | 126 Ų | 126 | 76% | 0.762 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.1 | -49.7 | 177 | 178.1 | -179.9 | 170.4 | 170.5 | -2.7 | 111.7 | T95 N100 M101 | T95-R97 PolarHBondContact O-N 2.7Å; R97-N100 CarbonylContact O-C 3.59Å; R97-N100 PolarHBondContact O-N 3.18Å; R97-M101 PolarHBondContact O-N 3.06Å; R97-M101 VanDerWaalsContact O-N 3.08Å |
| 98 | E | 96.8 | Very high | 96.5 | Very high | 98 Ų | 98 | 130.7 Ų | 130.7 | 46% | 0.458 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63 | -46 | 178.7 | -71.1 | 158 | 156.3 | 0 | 0 | 111 | L94 T95 N100 M101 | L94-E98 HydrophobicContact CB-CB 4.18Å; L94-E98 HydrophobicContact CD2-CB 4.4Å; T95-E98 WeakPolarHBondContact CB-OE2 3.28Å; T95-E98 WeakPolarHBondContact CG2-OE2 3.33Å; T95-E98 PolarHBondContact N-OE2 3.08Å; T95-E98 PolarHBondContact O-N 3.19Å; T95-E98 VanDerWaalsContact OG1-CG 3.25Å; T95-E98 WeakPolarHBondContact OG1-CG 3.48Å; T95-E98 PolarHBondContact OG1-N 3.1Å; T95-E98 PolarHBondContact OG1-OE2 3.29Å; E98-N100 VanDerWaalsContact C-N 3.26Å; E98-N100 PolarHBondContact O-N 3.1Å; E98-M101 VanDerWaalsContact O-CB 3.28Å; E98-M101 WeakPolarHBondContact O-CB 3.25Å; E98-M101 PolarHBondContact O-N 3.36Å; E98-M101 VanDerWaalsContact O-N 3.1Å |
| 99 | R | 96.2 | Very high | 96.5 | Very high | 161 Ų | 161 | 128.7 Ų | 128.7 | 61% | 0.608 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.5 | -35.8 | 178.6 | -167.4 | -173.5 | -49.1 | 156.2 | 9.1 | 113.2 | L94 T95 M101 | L94-R99 PolarHBondContact O-NH2 2.96Å; L94-R99 VanDerWaalsContact O-NH2 3.1Å; T95-R99 WeakPolarHBondContact O-CB 3.39Å; T95-R99 PolarHBondContact O-N 3.39Å; R99-M101 VanDerWaalsContact C-N 3.35Å |
| 100 | N | 96.1 | Very high | 96.3 | Very high | 96 Ų | 96 | 128.6 Ų | 128.6 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | 7.6 | -179.1 | -64.7 | -12.9 | 0 | 0 | 0 | 112.5 | K96 R97 E98 K102 | K96-N100 VanDerWaalsContact O-CB 3.25Å; K96-N100 WeakPolarHBondContact O-CB 3.25Å; K96-N100 PolarHBondContact O-N 2.81Å; K96-N100 PolarHBondContact O-ND2 3.24Å; R97-N100 CarbonylContact O-C 3.59Å; R97-N100 PolarHBondContact O-N 3.18Å; E98-N100 VanDerWaalsContact C-N 3.26Å; E98-N100 PolarHBondContact O-N 3.1Å; N100-K102 PolarHBondContact O-N 3.25Å; N100-K102 VanDerWaalsContact O-N 3.11Å |
| 101 | M | 95.9 | Very high | 96.2 | Very high | 120 Ų | 120 | 128.4 Ų | 128.4 | 59% | 0.591 | 58% | 0.578 | S | S | * | * | trans | -71.1 | 110.4 | -178.4 | -168.9 | 173.2 | -66.3 | 0 | 0 | 109.5 | R97 E98 R99 | R97-M101 PolarHBondContact O-N 3.06Å; R97-M101 VanDerWaalsContact O-N 3.08Å; E98-M101 VanDerWaalsContact O-CB 3.28Å; E98-M101 WeakPolarHBondContact O-CB 3.25Å; E98-M101 PolarHBondContact O-N 3.36Å; E98-M101 VanDerWaalsContact O-N 3.1Å; R99-M101 VanDerWaalsContact C-N 3.35Å | ||
| 102 | K | 95.6 | Very high | 96.2 | Very high | 78 Ų | 78 | 125.4 Ų | 125.4 | 34% | 0.339 | 58% | 0.575 | S | S | . | * | trans | -98.7 | 142.1 | 177.6 | -60 | -172 | 174.8 | -122.7 | 0 | 111.1 | N100 E106 R107 L110 | N100-K102 PolarHBondContact O-N 3.25Å; N100-K102 VanDerWaalsContact O-N 3.11Å; K102-E106 HydrophobicContact CB-CB 4.37Å; K102-E106 WeakPolarHBondContact CB-OE2 3.4Å; K102-E106 HydrophobicContact CD-CG 4.45Å; K102-E106 WeakPolarHBondContact CD-OE1 3.4Å; K102-E106 WeakPolarHBondContact CE-OE1 3.49Å; K102-E106 WeakPolarHBondContact CG-OE2 3.35Å; K102-E106 IonicContact NZ-OE1 2.79Å; K102-E106 PolarHBondContact NZ-OE1 3.47Å; K102-R107 HydrophobicContact CB-CG 3.79Å; K102-R107 PolarHBondContact O-NE 2.94Å; K102-L110 HydrophobicContact CD-CD1 3.4Å | ||
| 103 | T | 97 | Very high | 96.1 | Very high | 90 Ų | 90 | 128.3 Ų | 128.3 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | trans | -63.6 | 156.9 | 173.3 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | K105 E106 R107 | T103-K105 PolarHBondContact O-N 2.94Å; T103-E106 PolarHBondContact O-N 3.15Å; T103-E106 VanDerWaalsContact O-N 3.15Å; T103-E106 WeakPolarHBondContact OG1-CB 3.49Å; T103-E106 PolarHBondContact OG1-N 3.11Å; T103-R107 WeakPolarHBondContact O-CG 3.46Å; T103-R107 PolarHBondContact O-N 3.22Å | ||
| 104 | R | 96.3 | Very high | 95.9 | Very high | 229 Ų | 229 | 129.2 Ų | 129.2 | 86% | 0.864 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -55.6 | -39.7 | 177.5 | -170.2 | 175.4 | 71.5 | 171.8 | 1.4 | 111.8 | R108 | R104-R108 PolarHBondContact O-N 3.03Å; R104-R108 VanDerWaalsContact O-N 3.1Å |
| 105 | K | 97.1 | Very high | 95.7 | Very high | 184 Ų | 184 | 134.1 Ų | 134.1 | 80% | 0.8 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.4 | -47.2 | 176.7 | -173.8 | 176 | -179.4 | 177.2 | 0 | 111.9 | T103 R108 R109 | T103-K105 PolarHBondContact O-N 2.94Å; K105-R108 PolarHBondContact O-N 3.32Å; K105-R109 PolarHBondContact O-N 3.18Å |
| 106 | E | 95.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 140.3 Ų | 140.3 | 26% | 0.257 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.4 | -41.2 | 178.6 | -167.3 | -162.3 | 160.1 | 0 | 0 | 111.9 | K102 T103 R108 R109 L110 | K102-E106 HydrophobicContact CB-CB 4.37Å; K102-E106 WeakPolarHBondContact CB-OE2 3.4Å; K102-E106 HydrophobicContact CD-CG 4.45Å; K102-E106 WeakPolarHBondContact CD-OE1 3.4Å; K102-E106 WeakPolarHBondContact CE-OE1 3.49Å; K102-E106 WeakPolarHBondContact CG-OE2 3.35Å; K102-E106 IonicContact NZ-OE1 2.79Å; K102-E106 PolarHBondContact NZ-OE1 3.47Å; T103-E106 PolarHBondContact O-N 3.15Å; T103-E106 VanDerWaalsContact O-N 3.15Å; T103-E106 WeakPolarHBondContact OG1-CB 3.49Å; T103-E106 PolarHBondContact OG1-N 3.11Å; E106-R108 PolarHBondContact O-N 3.48Å; E106-R109 PolarHBondContact O-N 2.79Å; E106-L110 HydrophobicContact CG-CD1 3.98Å; E106-L110 HydrophobicContact CG-CG 4.47Å; E106-L110 WeakPolarHBondContact O-CG 3.44Å; E106-L110 PolarHBondContact O-N 3.1Å |
| 107 | R | 95.5 | Very high | 95.4 | Very high | 146 Ų | 146 | 142.9 Ų | 142.9 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.5 | -48.3 | 174.9 | -70.3 | -176.6 | -169.9 | -163.6 | -0.3 | 111.6 | K102 T103 R109 L110 L111 | K102-R107 HydrophobicContact CB-CG 3.79Å; K102-R107 PolarHBondContact O-NE 2.94Å; T103-R107 WeakPolarHBondContact O-CG 3.46Å; T103-R107 PolarHBondContact O-N 3.22Å; R107-R109 VanDerWaalsContact C-N 3.35Å; R107-R109 PolarHBondContact O-N 3.39Å; R107-L110 PolarHBondContact O-N 3.05Å; R107-L111 WeakPolarHBondContact O-CG 3.36Å; R107-L111 PolarHBondContact O-N 3.25Å; R107-L111 VanDerWaalsContact O-N 3.08Å |
| 108 | R | 96 | Very high | 95.3 | Very high | 183 Ų | 183 | 143.2 Ų | 143.2 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.8 | -45.4 | 176.6 | -174 | 176.8 | -179.1 | 179.7 | 0.4 | 111.4 | R104 K105 E106 L110 L111 L112 | R104-R108 PolarHBondContact O-N 3.03Å; R104-R108 VanDerWaalsContact O-N 3.1Å; K105-R108 PolarHBondContact O-N 3.32Å; E106-R108 PolarHBondContact O-N 3.48Å; R108-L110 PolarHBondContact O-N 3.34Å; R108-L111 PolarHBondContact O-N 3.08Å; R108-L112 HydrophobicContact CG-CD1 3.98Å; R108-L112 WeakPolarHBondContact O-CG 3.38Å; R108-L112 PolarHBondContact O-N 3.46Å |
| 109 | R | 96.4 | Very high | 95.2 | Very high | 143 Ų | 143 | 143.2 Ų | 143.2 | 54% | 0.54 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -58.9 | -46.4 | 177.5 | -174.5 | -179.6 | 65.8 | 175.6 | -0.3 | 112.2 | K105 E106 R107 L111 L112 W113 | K105-R109 PolarHBondContact O-N 3.18Å; E106-R109 PolarHBondContact O-N 2.79Å; R107-R109 VanDerWaalsContact C-N 3.35Å; R107-R109 PolarHBondContact O-N 3.39Å; R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 2.93Å; R109-L112 PolarHBondContact O-N 3.32Å; R109-W113 HydrophobicContact CB-CE3 4.3Å; R109-W113 HydrophobicContact CB-CZ3 4.29Å; R109-W113 HydrophobicContact CG-CE3 3.56Å; R109-W113 HydrophobicContact CG-CZ3 3.76Å; R109-W113 VanDerWaalsContact O-CE3 3.32Å; R109-W113 PolarHBondContact O-N 3.46Å |
| 110 | L | 94.9 | Very high | 95 | Very high | 73 Ų | 73 | 141.6 Ų | 141.6 | 38% | 0.382 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.5 | -30.8 | -178.8 | -70.4 | 163.6 | 0 | 0 | 0 | 113.5 | K102 E106 R107 R108 S114 | K102-L110 HydrophobicContact CD-CD1 3.4Å; E106-L110 HydrophobicContact CG-CD1 3.98Å; E106-L110 HydrophobicContact CG-CG 4.47Å; E106-L110 WeakPolarHBondContact O-CG 3.44Å; E106-L110 PolarHBondContact O-N 3.1Å; R107-L110 PolarHBondContact O-N 3.05Å; R108-L110 PolarHBondContact O-N 3.34Å; L110-S114 PolarHBondContact O-N 3.47Å |
| 111 | L | 93.6 | Very high | 94.6 | Very high | 146 Ų | 146 | 146.5 Ų | 146.5 | 76% | 0.764 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.3 | -44.9 | 172.8 | -73.2 | 167.5 | 0 | 0 | 0 | 111.1 | R107 R108 R109 | R107-L111 WeakPolarHBondContact O-CG 3.36Å; R107-L111 PolarHBondContact O-N 3.25Å; R107-L111 VanDerWaalsContact O-N 3.08Å; R108-L111 PolarHBondContact O-N 3.08Å; R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 2.93Å |
| 112 | L | 96.1 | Very high | 93.5 | Very high | 107 Ų | 107 | 149.9 Ų | 149.9 | 56% | 0.56 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.8 | -43.9 | -179.7 | -71.3 | 169.2 | 0 | 0 | 0 | 112.4 | R108 R109 | R108-L112 HydrophobicContact CG-CD1 3.98Å; R108-L112 WeakPolarHBondContact O-CG 3.38Å; R108-L112 PolarHBondContact O-N 3.46Å; R109-L112 PolarHBondContact O-N 3.32Å |
| 113 | W | 93.8 | Very high | 93.4 | Very high | 185 Ų | 185 | 153.5 Ų | 153.5 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -120.3 | 71.2 | -176.6 | -58.4 | -76.8 | 0 | 0 | 0 | 111.1 | R109 | R109-W113 HydrophobicContact CB-CE3 4.3Å; R109-W113 HydrophobicContact CB-CZ3 4.29Å; R109-W113 HydrophobicContact CG-CE3 3.56Å; R109-W113 HydrophobicContact CG-CZ3 3.76Å; R109-W113 VanDerWaalsContact O-CE3 3.32Å; R109-W113 PolarHBondContact O-N 3.46Å |
| 114 | S | 92.5 | Very high | 93.2 | Very high | 73 Ų | 73 | 156.8 Ų | 156.8 | 51% | 0.51 | 73% | 0.726 | S | S | . | * | trans | -67.7 | 144.9 | 173.8 | 63.4 | 0 | 0 | 0 | 0 | 111 | L110 R116 | L110-S114 PolarHBondContact O-N 3.47Å; S114-R116 PolarHBondContact O-N 3.02Å | ||
| 115 | K | 92.9 | Very high | 93 | Very high | 212 Ų | 212 | 152.8 Ų | 152.8 | 92% | 0.922 | 72% | 0.718 | S | S | * | * | trans | -67 | 107.3 | 175.8 | -173.7 | 175.2 | -178.1 | 176.6 | 0 | 108.8 | ||||
| 116 | R | 92.9 | Very high | 92.8 | Very high | 207 Ų | 207 | 150.9 Ų | 150.9 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | trans | -81.6 | 146.6 | 176.9 | -60.3 | -171.8 | 177.9 | -156 | -0.6 | 110.1 | S114 | S114-R116 PolarHBondContact O-N 3.02Š| ||
| 117 | K | 95.4 | Very high | 92.6 | Very high | 213 Ų | 213 | 156.9 Ų | 156.9 | 93% | 0.926 | 74% | 0.742 | S | S | * | * | trans | -86.7 | 135.8 | 167.4 | -65.3 | -176.8 | 179.5 | -178.5 | 0 | 108 | ||||
| 118 | Y | 94.8 | Very high | 92.4 | Very high | 209 Ų | 209 | 157.7 Ų | 157.7 | 82% | 0.82 | 76% | 0.755 | S | S | * | * | trans | -145.2 | 157.5 | 175.9 | 62.5 | -86.7 | 0 | 0 | 0 | 109.5 | ||||
| 119 | A | 94.3 | Very high | 92.1 | Very high | 97 Ų | 97 | 155.9 Ų | 155.9 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -138.7 | 150.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 120 | V | 91.9 | Very high | 91.8 | Very high | 127 Ų | 127 | 156.8 Ų | 156.8 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -102 | 136.1 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 107.3 | C122 | V120-C122 PolarHBondContact O-N 3.48Š| ||
| 121 | K | 87.6 | Confident | 91.6 | Very high | 199 Ų | 199 | 163.8 Ų | 163.8 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -72.8 | 125.3 | 175.1 | -168.8 | -178.8 | 176.6 | -174.7 | 0 | 108.1 | ||||
| 122 | C | 73 | Confident | 91.4 | Very high | 191 Ų | 191 | 165.5 Ų | 165.5 | 100% | 1.291 | 81% | 0.813 | S | S | * | * | trans | -64.7 | 0 | 169.6 | -50.1 | 0 | 0 | 0 | 0 | 110.7 | V120 | V120-C122 PolarHBondContact O-N 3.48Š|
Retrieved 122 of 122 residues in 114 ms
(Link to these results)