| 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 | 35 | Very low | 67.6 | Low | 246 Ų | 246 | 123.5 Ų | 123.5 | 100% | 1.212 | 70% | 0.695 | S | S | * | * | 0 | 125.8 | 0 | -62.1 | 172.7 | -166.7 | 0 | 0 | 106.4 | A3 | M1-A3 PolarHBondContact O-N 2.73Š| |||
| 2 | A | 37.3 | Very low | 69.8 | Low | 100 Ų | 100 | 121.8 Ų | 121.8 | 83% | 0.826 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 121.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | L4 | A2-L4 PolarHBondContact O-N 3.29Å; A2-L4 VanDerWaalsContact O-N 3.15Å |
| 3 | A | 41.1 | Very low | 71.8 | Confident | 96 Ų | 96 | 114.2 Ų | 114.2 | 79% | 0.793 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -62 | 118 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | M1 A5 | M1-A3 PolarHBondContact O-N 2.73Å; A3-A5 PolarHBondContact O-N 3.34Å; A3-A5 VanDerWaalsContact O-N 3.1Å |
| 4 | L | 47.3 | Very low | 73.5 | Confident | 164 Ų | 164 | 112.2 Ų | 112.2 | 86% | 0.859 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 118 | 162.8 | -72.9 | 163.2 | 0 | 0 | 0 | 105.4 | A2 E6 | A2-L4 PolarHBondContact O-N 3.29Å; A2-L4 VanDerWaalsContact O-N 3.15Å; L4-E6 PolarHBondContact O-N 2.9Å |
| 5 | A | 54.4 | Low | 74.9 | Confident | 97 Ų | 97 | 107.7 Ų | 107.7 | 80% | 0.802 | 59% | 0.594 | S | S | * | * | trans | -60.2 | 107.5 | -178 | 0 | 0 | 0 | 0 | 0 | 108 | A3 K7 | A3-A5 PolarHBondContact O-N 3.34Å; A3-A5 VanDerWaalsContact O-N 3.1Å; A5-K7 PolarHBondContact O-N 3.2Å; A5-K7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | E | 73.1 | Confident | 76.2 | Confident | 179 Ų | 179 | 101.2 Ų | 101.2 | 84% | 0.836 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.7 | 175.7 | -72.2 | -167.5 | 127.4 | 0 | 0 | 107.7 | L4 S8 | L4-E6 PolarHBondContact O-N 2.9Å; E6-S8 PolarHBondContact O-N 2.85Å |
| 7 | K | 83.1 | Confident | 77.4 | Confident | 134 Ų | 134 | 100.4 Ų | 100.4 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -52 | 134.8 | 177.3 | -66.6 | -177.9 | 179.8 | -178.2 | 0 | 109 | A5 E11 R12 | A5-K7 PolarHBondContact O-N 3.2Å; A5-K7 VanDerWaalsContact O-N 3.16Å; K7-E11 WeakPolarHBondContact CA-OE2 3.23Å; K7-E11 HydrophobicContact CB-CB 4.24Å; K7-R12 HydrophobicContact CB-CG 3.85Å; K7-R12 WeakPolarHBondContact O-CD 3.42Å |
| 8 | S | 91.9 | Very high | 78.5 | Confident | 62 Ų | 62 | 99.8 Ų | 99.8 | 43% | 0.434 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 148.2 | -179.9 | 176 | 0 | 0 | 0 | 0 | 110.6 | E6 K10 E11 R12 | E6-S8 PolarHBondContact O-N 2.85Å; S8-K10 PolarHBondContact O-N 2.78Å; S8-K10 PolarHBondContact OG-N 2.98Å; S8-E11 PolarHBondContact N-OE2 3.39Å; S8-E11 WeakPolarHBondContact O-CA 3.41Å; S8-E11 WeakPolarHBondContact O-CB 3.41Å; S8-E11 PolarHBondContact O-N 3.17Å; S8-R12 PolarHBondContact O-N 3.47Å |
| 9 | T | 92.3 | Very high | 79.4 | Confident | 24 Ų | 24 | 97.3 Ų | 97.3 | 15% | 0.147 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -49 | -36.7 | 174.1 | -34.9 | 0 | 0 | 0 | 0 | 111.6 | L13 V65 A66 Q69 | T9-L13 HydrophobicContact CG2-CD1 4.46Å; T9-L13 WeakPolarHBondContact O-CB 3.38Å; T9-L13 WeakPolarHBondContact O-CG 3.4Å; T9-L13 PolarHBondContact O-N 3.15Å; T9-V65 HydrophobicContact CG2-CG1 4.14Å; T9-A66 HydrophobicContact CG2-CB 4.09Å; T9-Q69 VanDerWaalsContact OG1-CD 3.26Å; T9-Q69 PolarHBondContact OG1-NE2 3.04Å; T9-Q69 PolarHBondContact OG1-OE1 2.99Å |
| 10 | K | 93.4 | Very high | 80.2 | Confident | 148 Ų | 148 | 93.7 Ų | 93.7 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -47.8 | 174.2 | -179.2 | -174.6 | 175.2 | -173.7 | 0 | 112.7 | S8 R12 L13 L14 | S8-K10 PolarHBondContact O-N 2.78Å; S8-K10 PolarHBondContact OG-N 2.98Å; K10-R12 VanDerWaalsContact C-N 3.33Å; K10-L13 PolarHBondContact O-N 3.06Å; K10-L14 HydrophobicContact CG-CD1 4.12Å; K10-L14 VanDerWaalsContact O-CG 3.31Å; K10-L14 WeakPolarHBondContact O-CG 3.3Å; K10-L14 PolarHBondContact O-N 3.37Å |
| 11 | E | 94.4 | Very high | 81 | Confident | 108 Ų | 108 | 93.7 Ų | 93.7 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | -179.8 | -64.8 | 169.5 | 159.4 | 0 | 0 | 111.5 | K7 S8 S15 | K7-E11 WeakPolarHBondContact CA-OE2 3.23Å; K7-E11 HydrophobicContact CB-CB 4.24Å; S8-E11 PolarHBondContact N-OE2 3.39Å; S8-E11 WeakPolarHBondContact O-CA 3.41Å; S8-E11 WeakPolarHBondContact O-CB 3.41Å; S8-E11 PolarHBondContact O-N 3.17Å; E11-S15 WeakPolarHBondContact O-CB 3.04Å; E11-S15 PolarHBondContact O-N 3.46Å |
| 12 | R | 94.4 | Very high | 83.9 | Confident | 104 Ų | 104 | 85.6 Ų | 85.6 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -47.4 | 173.4 | -65.8 | -179.2 | 64.2 | 179.3 | -2.5 | 111.5 | K7 S8 K10 L14 S15 V16 L62 | K7-R12 HydrophobicContact CB-CG 3.85Å; K7-R12 WeakPolarHBondContact O-CD 3.42Å; S8-R12 PolarHBondContact O-N 3.47Å; K10-R12 VanDerWaalsContact C-N 3.33Å; R12-L14 VanDerWaalsContact C-N 3.35Å; R12-L14 PolarHBondContact O-N 3.05Å; R12-S15 PolarHBondContact O-N 3.28Å; R12-V16 WeakPolarHBondContact O-CG2 3.48Å; R12-V16 PolarHBondContact O-N 2.95Å; R12-L62 HydrophobicContact CB-CD1 3.99Å; R12-L62 HydrophobicContact CB-CD2 4.26Å |
| 13 | L | 95 | Very high | 86.5 | Confident | 22 Ų | 22 | 81.9 Ų | 81.9 | 12% | 0.115 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59 | -43.4 | 175.8 | -81.7 | 168.4 | 0 | 0 | 0 | 112.6 | T9 K10 V16 L17 F59 L62 M63 A66 | T9-L13 HydrophobicContact CG2-CD1 4.46Å; T9-L13 WeakPolarHBondContact O-CB 3.38Å; T9-L13 WeakPolarHBondContact O-CG 3.4Å; T9-L13 PolarHBondContact O-N 3.15Å; K10-L13 PolarHBondContact O-N 3.06Å; L13-V16 PolarHBondContact O-N 3.44Å; L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 PolarHBondContact O-N 3Å; L13-F59 HydrophobicContact CD2-CD2 3.84Å; L13-F59 HydrophobicContact CD2-CE2 3.72Å; L13-F59 HydrophobicContact CD2-CZ 4.34Å; L13-L62 HydrophobicContact CD2-CB 3.53Å; L13-L62 HydrophobicContact CG-CB 3.98Å; L13-M63 HydrophobicContact CD1-SD 3.7Å; L13-M63 HydrophobicContact CD2-CG 3.73Å; L13-M63 HydrophobicContact CD2-SD 3.66Å; L13-M63 HydrophobicContact CG-SD 4.34Å; L13-A66 HydrophobicContact CD1-CB 3.79Å |
| 14 | L | 95.8 | Very high | 89.1 | Confident | 87 Ų | 87 | 79.3 Ų | 79.3 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 176.2 | -69.7 | 165.3 | 0 | 0 | 0 | 111.2 | K10 R12 V16 L17 D18 | K10-L14 HydrophobicContact CG-CD1 4.12Å; K10-L14 VanDerWaalsContact O-CG 3.31Å; K10-L14 WeakPolarHBondContact O-CG 3.3Å; K10-L14 PolarHBondContact O-N 3.37Å; R12-L14 VanDerWaalsContact C-N 3.35Å; R12-L14 PolarHBondContact O-N 3.05Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 3.34Å; L14-L17 WeakPolarHBondContact O-CB 3.45Å; L14-L17 PolarHBondContact O-N 3.02Å; L14-L17 VanDerWaalsContact O-N 3.14Å; L14-D18 VanDerWaalsContact O-CG 3.23Å; L14-D18 PolarHBondContact O-N 3.02Å |
| 15 | S | 95.5 | Very high | 91.3 | Very high | 44 Ų | 44 | 78.3 Ų | 78.3 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 178.1 | -170.3 | 0 | 0 | 0 | 0 | 113.2 | E11 R12 D19 | E11-S15 WeakPolarHBondContact O-CB 3.04Å; E11-S15 PolarHBondContact O-N 3.46Å; R12-S15 PolarHBondContact O-N 3.28Å; S15-D19 WeakPolarHBondContact O-CB 3.42Å; S15-D19 PolarHBondContact O-N 2.91Å |
| 16 | V | 95.8 | Very high | 93 | Very high | 4 Ų | 4 | 77.9 Ų | 77.9 | 2% | 0.024 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.9 | -32.6 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | R12 L13 L14 D19 L20 R55 E58 F59 L62 | R12-V16 WeakPolarHBondContact O-CG2 3.48Å; R12-V16 PolarHBondContact O-N 2.95Å; L13-V16 PolarHBondContact O-N 3.44Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 3.34Å; V16-D19 PolarHBondContact O-N 3.38Å; V16-L20 HydrophobicContact CG1-CD1 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.46Å; V16-L20 PolarHBondContact O-N 3.12Å; V16-R55 HydrophobicContact CG1-CB 4.29Å; V16-R55 WeakPolarHBondContact CG1-O 3.29Å; V16-E58 HydrophobicContact CG1-CB 4.46Å; V16-E58 HydrophobicContact CG2-CG 4.12Å; V16-F59 HydrophobicContact CB-CD2 4.46Å; V16-F59 HydrophobicContact CG1-CB 3.8Å; V16-F59 HydrophobicContact CG1-CD2 4.31Å; V16-L62 HydrophobicContact CG2-CD1 3.94Å |
| 17 | L | 96.5 | Very high | 93.8 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 173.4 | -172.9 | 67.7 | 0 | 0 | 0 | 111.8 | L13 L14 L20 E21 F59 | L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 PolarHBondContact O-N 3Å; L14-L17 WeakPolarHBondContact O-CB 3.45Å; L14-L17 PolarHBondContact O-N 3.02Å; L14-L17 VanDerWaalsContact O-N 3.14Å; L17-L20 WeakPolarHBondContact O-CB 3.32Å; L17-L20 PolarHBondContact O-N 3.07Å; L17-E21 PolarHBondContact O-N 3.06Å; L17-F59 HydrophobicContact CB-CE2 4.22Å; L17-F59 HydrophobicContact CD1-CE2 4.26Å; L17-F59 HydrophobicContact CD1-CZ 4.46Å |
| 18 | D | 96.7 | Very high | 94.1 | Very high | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 174.5 | -63.3 | -22 | 0 | 0 | 0 | 110.6 | L14 L20 E21 V22 | L14-D18 VanDerWaalsContact O-CG 3.23Å; L14-D18 PolarHBondContact O-N 3.02Å; D18-L20 VanDerWaalsContact C-N 3.33Å; D18-L20 PolarHBondContact O-N 3.21Å; D18-E21 WeakPolarHBondContact O-CB 3.36Å; D18-E21 PolarHBondContact O-N 3.24Å; D18-V22 WeakPolarHBondContact O-CG2 3.37Å; D18-V22 PolarHBondContact O-N 2.84Å |
| 19 | D | 95.7 | Very high | 93.9 | Very high | 51 Ų | 51 | 72.8 Ų | 72.8 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 175 | -72.5 | -29 | 0 | 0 | 0 | 111.8 | S15 V16 V22 L23 R55 | S15-D19 WeakPolarHBondContact O-CB 3.42Å; S15-D19 PolarHBondContact O-N 2.91Å; V16-D19 PolarHBondContact O-N 3.38Å; D19-V22 PolarHBondContact O-N 2.74Å; D19-L23 WeakPolarHBondContact O-CB 3.24Å; D19-L23 VanDerWaalsContact O-CG 3.29Å; D19-L23 WeakPolarHBondContact O-CG 3.43Å; D19-L23 PolarHBondContact O-N 3.4Å; D19-R55 IonicContact OD2-CZ 3.91Å; D19-R55 IonicContact OD2-NH1 2.84Å; D19-R55 PolarHBondContact OD2-NH1 3.01Å; D19-R55 IonicContact OD2-NH2 3.7Å; D19-R55 PolarHBondContact OD2-NH2 2.84Å |
| 20 | L | 95.1 | Very high | 93.5 | Very high | 25 Ų | 25 | 73.5 Ų | 73.5 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 174.5 | -77.4 | 170 | 0 | 0 | 0 | 112.5 | V16 L17 D18 S24 L52 R55 D56 F59 | V16-L20 HydrophobicContact CG1-CD1 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.46Å; V16-L20 PolarHBondContact O-N 3.12Å; L17-L20 WeakPolarHBondContact O-CB 3.32Å; L17-L20 PolarHBondContact O-N 3.07Å; D18-L20 VanDerWaalsContact C-N 3.33Å; D18-L20 PolarHBondContact O-N 3.21Å; L20-S24 VanDerWaalsContact O-CB 3.29Å; L20-S24 WeakPolarHBondContact O-CB 3.46Å; L20-S24 PolarHBondContact O-N 2.95Å; L20-S24 PolarHBondContact O-OG 3.21Å; L20-L52 HydrophobicContact CD2-CD1 3.73Å; L20-L52 HydrophobicContact CD2-CG 4.3Å; L20-R55 HydrophobicContact CD2-CB 3.73Å; L20-R55 HydrophobicContact CG-CB 4.05Å; L20-D56 HydrophobicContact CD2-CB 4.38Å; L20-F59 HydrophobicContact CD1-CB 4.06Å; L20-F59 HydrophobicContact CD1-CG 4.24Å |
| 21 | E | 96.4 | Very high | 93 | Very high | 95 Ų | 95 | 70.9 Ų | 70.9 | 44% | 0.444 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 174.8 | -163.9 | -168.8 | 148.3 | 0 | 0 | 111.2 | L17 D18 S24 R25 | L17-E21 PolarHBondContact O-N 3.06Å; D18-E21 WeakPolarHBondContact O-CB 3.36Å; D18-E21 PolarHBondContact O-N 3.24Å; E21-S24 PolarHBondContact O-OG 3.29Å; E21-S24 VanDerWaalsContact O-OG 3.04Å; E21-R25 WeakPolarHBondContact O-CB 3.43Å; E21-R25 VanDerWaalsContact O-CG 3.26Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.27Å; E21-R25 IonicContact OE1-CZ 3.8Å; E21-R25 IonicContact OE1-NE 2.67Å; E21-R25 PolarHBondContact OE1-NE 3.41Å; E21-R25 IonicContact OE1-NH2 3.14Å; E21-R25 PolarHBondContact OE1-NH2 3.42Å |
| 22 | V | 96.2 | Very high | 92.6 | Very high | 76 Ų | 76 | 68.6 Ų | 68.6 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -52.6 | 178.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | D18 D19 S24 R25 E26 | D18-V22 WeakPolarHBondContact O-CG2 3.37Å; D18-V22 PolarHBondContact O-N 2.84Å; D19-V22 PolarHBondContact O-N 2.74Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 2.92Å; V22-R25 WeakPolarHBondContact O-CB 3.41Å; V22-R25 PolarHBondContact O-N 3.03Å; V22-E26 HydrophobicContact CG1-CG 4.45Å; V22-E26 WeakPolarHBondContact O-CG 3.26Å; V22-E26 PolarHBondContact O-N 3.18Å |
| 23 | L | 93.3 | Very high | 91.9 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -36.8 | -178.9 | -70.9 | 169 | 0 | 0 | 0 | 112.6 | D19 L27 I48 L51 L52 R55 | D19-L23 WeakPolarHBondContact O-CB 3.24Å; D19-L23 VanDerWaalsContact O-CG 3.29Å; D19-L23 WeakPolarHBondContact O-CG 3.43Å; D19-L23 PolarHBondContact O-N 3.4Å; L23-L27 WeakPolarHBondContact O-CB 3.38Å; L23-L27 PolarHBondContact O-N 3Å; L23-I48 HydrophobicContact CD2-CG2 4.19Å; L23-L51 HydrophobicContact CD1-CB 4.12Å; L23-L51 HydrophobicContact CD2-CB 4.16Å; L23-L51 HydrophobicContact CD2-CD1 4.41Å; L23-L52 HydrophobicContact CB-CD1 3.69Å; L23-R55 HydrophobicContact CD1-CG 4.03Å |
| 24 | S | 94.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 70 Ų | 70 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.9 | -35.2 | 177.5 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | L20 E21 V22 I28 | L20-S24 VanDerWaalsContact O-CB 3.29Å; L20-S24 WeakPolarHBondContact O-CB 3.46Å; L20-S24 PolarHBondContact O-N 2.95Å; L20-S24 PolarHBondContact O-OG 3.21Å; E21-S24 PolarHBondContact O-OG 3.29Å; E21-S24 VanDerWaalsContact O-OG 3.04Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 2.92Å; S24-I28 WeakPolarHBondContact O-CD1 3.36Å; S24-I28 VanDerWaalsContact O-CG1 3.24Å; S24-I28 WeakPolarHBondContact O-CG1 3.4Å; S24-I28 PolarHBondContact O-N 2.96Å; S24-I28 VanDerWaalsContact O-N 3.12Å |
| 25 | R | 94.3 | Very high | 88.8 | Confident | 143 Ų | 143 | 76.9 Ų | 76.9 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.4 | -50.5 | 170.3 | -73.9 | 167.3 | 175.3 | -90.3 | 4.8 | 111.4 | E21 V22 L27 I28 E29 | E21-R25 WeakPolarHBondContact O-CB 3.43Å; E21-R25 VanDerWaalsContact O-CG 3.26Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.27Å; E21-R25 IonicContact OE1-CZ 3.8Å; E21-R25 IonicContact OE1-NE 2.67Å; E21-R25 PolarHBondContact OE1-NE 3.41Å; E21-R25 IonicContact OE1-NH2 3.14Å; E21-R25 PolarHBondContact OE1-NH2 3.42Å; V22-R25 WeakPolarHBondContact O-CB 3.41Å; V22-R25 PolarHBondContact O-N 3.03Å; R25-L27 VanDerWaalsContact C-N 3.35Å; R25-L27 PolarHBondContact O-N 3.42Å; R25-I28 PolarHBondContact O-N 3.38Å; R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 2.84Å |
| 26 | E | 90.3 | Very high | 87.4 | Confident | 88 Ų | 88 | 79 Ų | 79 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 178.6 | -71.9 | 179 | 167.1 | 0 | 0 | 111.6 | V22 I28 E29 M30 I48 | V22-E26 HydrophobicContact CG1-CG 4.45Å; V22-E26 WeakPolarHBondContact O-CG 3.26Å; V22-E26 PolarHBondContact O-N 3.18Å; E26-I28 PolarHBondContact O-N 2.89Å; E26-E29 PolarHBondContact O-N 3.12Å; E26-M30 WeakPolarHBondContact O-CG 3.39Å; E26-M30 PolarHBondContact O-N 3.06Å; E26-I48 HydrophobicContact CB-CD1 4.11Å |
| 27 | L | 89 | Confident | 85.6 | Confident | 30 Ų | 30 | 86.8 Ų | 86.8 | 16% | 0.157 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 176.6 | -176.1 | 62.6 | 0 | 0 | 0 | 112.5 | L23 R25 M30 L31 I48 L49 L52 | L23-L27 WeakPolarHBondContact O-CB 3.38Å; L23-L27 PolarHBondContact O-N 3Å; R25-L27 VanDerWaalsContact C-N 3.35Å; R25-L27 PolarHBondContact O-N 3.42Å; L27-M30 HydrophobicContact CD1-CE 4.36Å; L27-L31 HydrophobicContact CD1-CD1 4.29Å; L27-L31 HydrophobicContact CD1-CG 4.5Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.28Å; L27-L31 PolarHBondContact O-N 3.24Å; L27-I48 HydrophobicContact CB-CG2 4.08Å; L27-L49 HydrophobicContact CD2-CD1 4.48Å; L27-L52 HydrophobicContact CD2-CD2 4.34Å |
| 28 | I | 90 | Very high | 83.6 | Confident | 116 Ų | 116 | 91.7 Ų | 91.7 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 177.4 | -69.8 | 165.7 | 0 | 0 | 0 | 111.1 | S24 R25 E26 L31 A32 | S24-I28 WeakPolarHBondContact O-CD1 3.36Å; S24-I28 VanDerWaalsContact O-CG1 3.24Å; S24-I28 WeakPolarHBondContact O-CG1 3.4Å; S24-I28 PolarHBondContact O-N 2.96Å; S24-I28 VanDerWaalsContact O-N 3.12Å; R25-I28 PolarHBondContact O-N 3.38Å; E26-I28 PolarHBondContact O-N 2.89Å; I28-L31 PolarHBondContact O-N 3.47Å; I28-A32 WeakPolarHBondContact O-CB 3.29Å; I28-A32 PolarHBondContact O-N 3.11Å |
| 29 | E | 88.5 | Confident | 81.5 | Confident | 122 Ų | 122 | 95.2 Ų | 95.2 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | 178 | -73 | -176.9 | -169.2 | 0 | 0 | 111.9 | R25 E26 L31 A32 L33 | R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 2.84Å; E26-E29 PolarHBondContact O-N 3.12Å; E29-L31 PolarHBondContact O-N 3.03Å; E29-A32 PolarHBondContact O-N 3.39Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 VanDerWaalsContact O-CG 3.26Å; E29-L33 WeakPolarHBondContact O-CG 3.44Å; E29-L33 PolarHBondContact O-N 2.89Å |
| 30 | M | 83.7 | Confident | 79.6 | Confident | 39 Ų | 39 | 95.2 Ų | 95.2 | 19% | 0.192 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 174.2 | -66.1 | -164.5 | -44 | 0 | 0 | 112.5 | E26 L27 A32 L33 S34 D45 I48 | E26-M30 WeakPolarHBondContact O-CG 3.39Å; E26-M30 PolarHBondContact O-N 3.06Å; L27-M30 HydrophobicContact CD1-CE 4.36Å; M30-A32 VanDerWaalsContact C-N 3.29Å; M30-A32 PolarHBondContact O-N 3.47Å; M30-L33 PolarHBondContact O-N 2.86Å; M30-S34 VanDerWaalsContact O-CB 3.3Å; M30-S34 WeakPolarHBondContact O-CB 3.5Å; M30-S34 PolarHBondContact O-N 3.31Å; M30-S34 PolarHBondContact O-OG 2.93Å; M30-D45 HydrophobicContact CE-CB 4.36Å; M30-D45 WeakPolarHBondContact CE-OD1 3.48Å; M30-I48 HydrophobicContact CE-CB 4.27Å; M30-I48 HydrophobicContact CE-CD1 3.58Å; M30-I48 HydrophobicContact CE-CG1 4.06Å; M30-I48 HydrophobicContact SD-CD1 3.88Å |
| 31 | L | 82.9 | Confident | 77.9 | Confident | 92 Ų | 92 | 100.3 Ų | 100.3 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -26.8 | 176.6 | -70.3 | 172.8 | 0 | 0 | 0 | 113.1 | L27 I28 E29 S34 | L27-L31 HydrophobicContact CD1-CD1 4.29Å; L27-L31 HydrophobicContact CD1-CG 4.5Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.28Å; L27-L31 PolarHBondContact O-N 3.24Å; I28-L31 PolarHBondContact O-N 3.47Å; E29-L31 PolarHBondContact O-N 3.03Å; L31-S34 WeakPolarHBondContact CA-OG 3.44Å; L31-S34 PolarHBondContact O-OG 3.27Å |
| 32 | A | 84.8 | Confident | 76.3 | Confident | 60 Ų | 60 | 102.3 Ų | 102.3 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.9 | -44.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I28 E29 M30 R35 | I28-A32 WeakPolarHBondContact O-CB 3.29Å; I28-A32 PolarHBondContact O-N 3.11Å; E29-A32 PolarHBondContact O-N 3.39Å; M30-A32 VanDerWaalsContact C-N 3.29Å; M30-A32 PolarHBondContact O-N 3.47Å; A32-R35 PolarHBondContact O-N 2.89Å |
| 33 | L | 79.6 | Confident | 75.2 | Confident | 110 Ų | 110 | 100.4 Ų | 100.4 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.4 | -46.1 | -179.1 | -72.5 | 168.1 | 0 | 0 | 0 | 112 | E29 M30 R35 S36 Q37 | E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 VanDerWaalsContact O-CG 3.26Å; E29-L33 WeakPolarHBondContact O-CG 3.44Å; E29-L33 PolarHBondContact O-N 2.89Å; M30-L33 PolarHBondContact O-N 2.86Å; L33-R35 PolarHBondContact O-N 2.95Å; L33-R35 VanDerWaalsContact O-N 3.15Å; L33-S36 PolarHBondContact O-N 3.26Å; L33-S36 PolarHBondContact O-OG 3.16Å; L33-Q37 PolarHBondContact O-N 3.42Å; L33-Q37 VanDerWaalsContact O-N 3.17Å |
| 34 | S | 65.4 | Low | 74.5 | Confident | 46 Ų | 46 | 103.1 Ų | 103.1 | 32% | 0.322 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.5 | 177.5 | 54 | 0 | 0 | 0 | 0 | 114.4 | M30 L31 S36 | M30-S34 VanDerWaalsContact O-CB 3.3Å; M30-S34 WeakPolarHBondContact O-CB 3.5Å; M30-S34 PolarHBondContact O-N 3.31Å; M30-S34 PolarHBondContact O-OG 2.93Å; L31-S34 WeakPolarHBondContact CA-OG 3.44Å; L31-S34 PolarHBondContact O-OG 3.27Å; S34-S36 VanDerWaalsContact C-N 3.34Å |
| 35 | R | 62 | Low | 73.8 | Confident | 232 Ų | 232 | 103.6 Ų | 103.6 | 88% | 0.875 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -19 | 172.5 | -173.3 | 179.9 | -73.7 | -156.5 | -1.6 | 113.3 | A32 L33 | A32-R35 PolarHBondContact O-N 2.89Å; L33-R35 PolarHBondContact O-N 2.95Å; L33-R35 VanDerWaalsContact O-N 3.15Å |
| 36 | S | 64.7 | Low | 73.4 | Confident | 87 Ų | 87 | 100.6 Ų | 100.6 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -44 | -166.2 | 68.1 | 0 | 0 | 0 | 0 | 114.8 | L33 S34 | L33-S36 PolarHBondContact O-N 3.26Å; L33-S36 PolarHBondContact O-OG 3.16Å; S34-S36 VanDerWaalsContact C-N 3.34Å |
| 37 | Q | 58.5 | Low | 73.3 | Confident | 169 Ų | 169 | 102.4 Ų | 102.4 | 79% | 0.79 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -162.8 | 132.4 | 175.7 | -116 | 178.8 | 4.6 | 0 | 0 | 112.5 | L33 | L33-Q37 PolarHBondContact O-N 3.42Å; L33-Q37 VanDerWaalsContact O-N 3.17Å |
| 38 | K | 54.2 | Low | 73.3 | Confident | 189 Ų | 189 | 102.1 Ų | 102.1 | 82% | 0.822 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 72 | 142.6 | -178.8 | -56.8 | 179.5 | 178.8 | 176.1 | 0 | 115.7 | ||
| 39 | L | 53 | Low | 73.3 | Confident | 166 Ų | 166 | 100.8 Ų | 100.8 | 87% | 0.869 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 131.5 | 163.2 | -110.6 | 65 | 0 | 0 | 0 | 108.7 | ||
| 40 | P | 56.3 | Low | 73.5 | Confident | 50 Ų | 50 | 101.7 Ų | 101.7 | 33% | 0.325 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 162.8 | 162.4 | -24.2 | 35.5 | 0 | 0 | 0 | 111.5 | ||
| 41 | Q | 59.8 | Low | 74 | Confident | 132 Ų | 132 | 103.8 Ų | 103.8 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 135.3 | 166 | -67.3 | -153.8 | 93.6 | 0 | 0 | 109.3 | G43 E44 | Q41-G43 PolarHBondContact O-N 3.36Å; Q41-E44 HydrophobicContact CB-CG 4.16Å; Q41-E44 PolarHBondContact NE2-OE1 2.97Å |
| 42 | P | 62.6 | Low | 74.5 | Confident | 138 Ų | 138 | 101.1 Ų | 101.1 | 90% | 0.896 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 99.3 | -179 | 27.9 | -34.2 | 0 | 0 | 0 | 110.4 | ||
| 43 | G | 71.5 | Confident | 75.1 | Confident | 36 Ų | 36 | 102.6 Ų | 102.6 | 37% | 0.371 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 139.1 | -21.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q41 T46 Q47 | Q41-G43 PolarHBondContact O-N 3.36Å; G43-T46 WeakPolarHBondContact CA-OG1 3.49Å; G43-T46 PolarHBondContact O-N 3.37Å; G43-T46 PolarHBondContact O-OG1 2.88Å; G43-Q47 PolarHBondContact O-N 3.37Å |
| 44 | E | 78.9 | Confident | 75.9 | Confident | 78 Ų | 78 | 102.9 Ų | 102.9 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | -176.4 | -70.1 | 172.4 | 174 | 0 | 0 | 111.5 | Q41 T46 Q47 I48 | Q41-E44 HydrophobicContact CB-CG 4.16Å; Q41-E44 PolarHBondContact NE2-OE1 2.97Å; E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 3.46Å; E44-Q47 PolarHBondContact O-N 2.94Å; E44-I48 PolarHBondContact O-N 3.18Å |
| 45 | D | 79 | Confident | 77.3 | Confident | 52 Ų | 52 | 104 Ų | 104 | 28% | 0.278 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -52.8 | -44.4 | 174.9 | -56.4 | -0.1 | 0 | 0 | 0 | 112.8 | M30 L49 | M30-D45 HydrophobicContact CE-CB 4.36Å; M30-D45 WeakPolarHBondContact CE-OD1 3.48Å; D45-L49 WeakPolarHBondContact O-CB 3.5Å; D45-L49 PolarHBondContact O-N 2.76Å; D45-L49 VanDerWaalsContact O-N 3.12Å |
| 46 | T | 86.1 | Confident | 79 | Confident | 81 Ų | 81 | 96.4 Ų | 96.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.5 | -34.8 | 177.4 | 29.8 | 0 | 0 | 0 | 0 | 112.5 | G43 E44 L49 E50 | G43-T46 WeakPolarHBondContact CA-OG1 3.49Å; G43-T46 PolarHBondContact O-N 3.37Å; G43-T46 PolarHBondContact O-OG1 2.88Å; E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 3.46Å; T46-L49 PolarHBondContact O-N 3.03Å; T46-E50 WeakPolarHBondContact O-CG 3.44Å; T46-E50 PolarHBondContact O-N 3.18Å |
| 47 | Q | 88.6 | Confident | 80.5 | Confident | 125 Ų | 125 | 97.6 Ų | 97.6 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.1 | -39.8 | 179.8 | -169.2 | 169.7 | 22.2 | 0 | 0 | 112.1 | G43 E44 L49 E50 L51 | G43-Q47 PolarHBondContact O-N 3.37Å; E44-Q47 PolarHBondContact O-N 2.94Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; Q47-E50 PolarHBondContact O-N 3.04Å; Q47-L51 WeakPolarHBondContact O-CG 3.26Å; Q47-L51 PolarHBondContact O-N 3.31Å |
| 48 | I | 88.8 | Confident | 82.3 | Confident | 25 Ų | 25 | 92.3 Ų | 92.3 | 13% | 0.128 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 172.7 | -61.7 | -164.2 | 0 | 0 | 0 | 110.7 | L23 E26 L27 M30 E44 L51 L52 | L23-I48 HydrophobicContact CD2-CG2 4.19Å; E26-I48 HydrophobicContact CB-CD1 4.11Å; L27-I48 HydrophobicContact CB-CG2 4.08Å; M30-I48 HydrophobicContact CE-CB 4.27Å; M30-I48 HydrophobicContact CE-CD1 3.58Å; M30-I48 HydrophobicContact CE-CG1 4.06Å; M30-I48 HydrophobicContact SD-CD1 3.88Å; E44-I48 PolarHBondContact O-N 3.18Å; I48-L51 PolarHBondContact O-N 2.95Å; I48-L52 WeakPolarHBondContact O-CB 3.32Å; I48-L52 PolarHBondContact O-N 2.96Å |
| 49 | L | 90 | Very high | 84.2 | Confident | 88 Ų | 88 | 85.6 Ų | 85.6 | 46% | 0.461 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 175.6 | -174.7 | 64.2 | 0 | 0 | 0 | 112.6 | L27 D45 T46 Q47 L52 V53 | L27-L49 HydrophobicContact CD2-CD1 4.48Å; D45-L49 WeakPolarHBondContact O-CB 3.5Å; D45-L49 PolarHBondContact O-N 2.76Å; D45-L49 VanDerWaalsContact O-N 3.12Å; T46-L49 PolarHBondContact O-N 3.03Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; L49-L52 PolarHBondContact O-N 3.03Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 3.42Å |
| 50 | E | 93.2 | Very high | 86.3 | Confident | 141 Ų | 141 | 83 Ų | 83 | 66% | 0.659 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | 174.5 | -77.6 | 178.5 | -176.7 | 0 | 0 | 112 | T46 Q47 V53 Q54 | T46-E50 WeakPolarHBondContact O-CG 3.44Å; T46-E50 PolarHBondContact O-N 3.18Å; Q47-E50 PolarHBondContact O-N 3.04Å; E50-V53 PolarHBondContact O-N 3.22Å; E50-Q54 WeakPolarHBondContact O-CB 3.5Å; E50-Q54 PolarHBondContact O-N 3.01Å |
| 51 | L | 94 | Very high | 88.2 | Confident | 82 Ų | 82 | 85.9 Ų | 85.9 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 174.4 | -74.6 | 168.7 | 0 | 0 | 0 | 111.9 | L23 Q47 I48 Q54 R55 | L23-L51 HydrophobicContact CD1-CB 4.12Å; L23-L51 HydrophobicContact CD2-CB 4.16Å; L23-L51 HydrophobicContact CD2-CD1 4.41Å; Q47-L51 WeakPolarHBondContact O-CG 3.26Å; Q47-L51 PolarHBondContact O-N 3.31Å; I48-L51 PolarHBondContact O-N 2.95Å; L51-Q54 PolarHBondContact O-N 3.47Å; L51-R55 WeakPolarHBondContact O-CG 3.46Å; L51-R55 PolarHBondContact O-N 3.43Å |
| 52 | L | 94.5 | Very high | 89.9 | Confident | 37 Ų | 37 | 80.1 Ų | 80.1 | 19% | 0.194 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 177.9 | -168.3 | 77.8 | 0 | 0 | 0 | 111.5 | L20 L23 L27 I48 L49 Q54 R55 D56 | L20-L52 HydrophobicContact CD2-CD1 3.73Å; L20-L52 HydrophobicContact CD2-CG 4.3Å; L23-L52 HydrophobicContact CB-CD1 3.69Å; L27-L52 HydrophobicContact CD2-CD2 4.34Å; I48-L52 WeakPolarHBondContact O-CB 3.32Å; I48-L52 PolarHBondContact O-N 2.96Å; L49-L52 PolarHBondContact O-N 3.03Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 2.94Å; L52-R55 PolarHBondContact O-N 3.02Å; L52-D56 WeakPolarHBondContact O-CB 3.45Å; L52-D56 PolarHBondContact O-N 2.67Å |
| 53 | V | 95.8 | Very high | 91.5 | Very high | 91 Ų | 91 | 77.5 Ų | 77.5 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.3 | -40.5 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | L49 E50 K57 | L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 3.42Å; E50-V53 PolarHBondContact O-N 3.22Å; V53-K57 WeakPolarHBondContact O-CB 3.5Å; V53-K57 PolarHBondContact O-N 2.95Å |
| 54 | Q | 96.4 | Very high | 92.7 | Very high | 116 Ų | 116 | 81.4 Ų | 81.4 | 54% | 0.542 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 178.1 | -178.4 | 55.9 | 43.4 | 0 | 0 | 112.3 | E50 L51 L52 E58 | E50-Q54 WeakPolarHBondContact O-CB 3.5Å; E50-Q54 PolarHBondContact O-N 3.01Å; L51-Q54 PolarHBondContact O-N 3.47Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 2.94Å; Q54-E58 PolarHBondContact O-N 3.31Å; Q54-E58 VanDerWaalsContact O-N 3.11Å |
| 55 | R | 96.1 | Very high | 93.5 | Very high | 70 Ų | 70 | 80.6 Ų | 80.6 | 26% | 0.264 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -76.8 | -35 | 176.1 | -66.5 | -44.5 | -162.6 | 111.2 | 29.8 | 113.6 | V16 D19 L20 L23 L51 L52 K57 E58 F59 | V16-R55 HydrophobicContact CG1-CB 4.29Å; V16-R55 WeakPolarHBondContact CG1-O 3.29Å; D19-R55 IonicContact OD2-CZ 3.91Å; D19-R55 IonicContact OD2-NH1 2.84Å; D19-R55 PolarHBondContact OD2-NH1 3.01Å; D19-R55 IonicContact OD2-NH2 3.7Å; D19-R55 PolarHBondContact OD2-NH2 2.84Å; L20-R55 HydrophobicContact CD2-CB 3.73Å; L20-R55 HydrophobicContact CG-CB 4.05Å; L23-R55 HydrophobicContact CD1-CG 4.03Å; L51-R55 WeakPolarHBondContact O-CG 3.46Å; L51-R55 PolarHBondContact O-N 3.43Å; L52-R55 PolarHBondContact O-N 3.02Å; R55-K57 VanDerWaalsContact C-N 3.29Å; R55-K57 PolarHBondContact O-N 3.04Å; R55-E58 WeakPolarHBondContact CD-OE2 3.48Å; R55-E58 IonicContact CZ-OE2 3.66Å; R55-E58 IonicContact NE-OE2 2.84Å; R55-E58 IonicContact NH1-OE2 2.72Å; R55-E58 PolarHBondContact NH1-OE2 3.11Å; R55-E58 PolarHBondContact O-N 3.43Å; R55-F59 WeakPolarHBondContact O-CB 3.46Å; R55-F59 PolarHBondContact O-N 3.45Å |
| 56 | D | 96.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 79.4 Ų | 79.4 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 171.8 | 172.9 | 53 | 0 | 0 | 0 | 110.6 | L20 L52 F59 Q60 | L20-D56 HydrophobicContact CD2-CB 4.38Å; L52-D56 WeakPolarHBondContact O-CB 3.45Å; L52-D56 PolarHBondContact O-N 2.67Å; D56-F59 WeakPolarHBondContact O-CB 3.37Å; D56-F59 PolarHBondContact O-N 3.07Å; D56-Q60 WeakPolarHBondContact O-CG 3.34Å; D56-Q60 PolarHBondContact O-N 3.16Å; D56-Q60 PolarHBondContact OD1-NE2 2.95Å; D56-Q60 PolarHBondContact OD2-NE2 2.92Å |
| 57 | K | 96.8 | Very high | 94.8 | Very high | 113 Ų | 113 | 81.3 Ų | 81.3 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 173 | -173.2 | 179.7 | 172.4 | -171.9 | 0 | 112.7 | V53 R55 F59 Q60 E61 | V53-K57 WeakPolarHBondContact O-CB 3.5Å; V53-K57 PolarHBondContact O-N 2.95Å; R55-K57 VanDerWaalsContact C-N 3.29Å; R55-K57 PolarHBondContact O-N 3.04Å; K57-F59 VanDerWaalsContact C-N 3.28Å; K57-F59 PolarHBondContact O-N 3.08Å; K57-Q60 PolarHBondContact O-N 3.16Å; K57-E61 WeakPolarHBondContact CE-OE1 3.34Å; K57-E61 IonicContact NZ-OE1 3.11Å; K57-E61 WeakPolarHBondContact O-CG 3.49Å; K57-E61 PolarHBondContact O-N 3.43Å |
| 58 | E | 95.6 | Very high | 95.2 | Very high | 57 Ų | 57 | 79.9 Ų | 79.9 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 175.4 | -174.5 | -179.3 | -167 | 0 | 0 | 111.6 | V16 Q54 R55 L62 | V16-E58 HydrophobicContact CG1-CB 4.46Å; V16-E58 HydrophobicContact CG2-CG 4.12Å; Q54-E58 PolarHBondContact O-N 3.31Å; Q54-E58 VanDerWaalsContact O-N 3.11Å; R55-E58 WeakPolarHBondContact CD-OE2 3.48Å; R55-E58 IonicContact CZ-OE2 3.66Å; R55-E58 IonicContact NE-OE2 2.84Å; R55-E58 IonicContact NH1-OE2 2.72Å; R55-E58 PolarHBondContact NH1-OE2 3.11Å; R55-E58 PolarHBondContact O-N 3.43Å; E58-L62 HydrophobicContact CG-CD1 4.18Å; E58-L62 WeakPolarHBondContact O-CB 3.36Å; E58-L62 VanDerWaalsContact O-CG 3.32Å; E58-L62 WeakPolarHBondContact O-CG 3.39Å; E58-L62 PolarHBondContact O-N 3.49Å |
| 59 | F | 95.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 83.1 Ų | 83.1 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.9 | -175 | -97.9 | 0 | 0 | 0 | 112.3 | L13 V16 L17 L20 R55 D56 K57 L62 M63 | L13-F59 HydrophobicContact CD2-CD2 3.84Å; L13-F59 HydrophobicContact CD2-CE2 3.72Å; L13-F59 HydrophobicContact CD2-CZ 4.34Å; V16-F59 HydrophobicContact CB-CD2 4.46Å; V16-F59 HydrophobicContact CG1-CB 3.8Å; V16-F59 HydrophobicContact CG1-CD2 4.31Å; L17-F59 HydrophobicContact CB-CE2 4.22Å; L17-F59 HydrophobicContact CD1-CE2 4.26Å; L17-F59 HydrophobicContact CD1-CZ 4.46Å; L20-F59 HydrophobicContact CD1-CB 4.06Å; L20-F59 HydrophobicContact CD1-CG 4.24Å; R55-F59 WeakPolarHBondContact O-CB 3.46Å; R55-F59 PolarHBondContact O-N 3.45Å; D56-F59 WeakPolarHBondContact O-CB 3.37Å; D56-F59 PolarHBondContact O-N 3.07Å; K57-F59 VanDerWaalsContact C-N 3.28Å; K57-F59 PolarHBondContact O-N 3.08Å; F59-L62 PolarHBondContact O-N 3.48Å; F59-M63 HydrophobicContact CD1-CG 4.17Å; F59-M63 HydrophobicContact CE1-CG 3.73Å; F59-M63 HydrophobicContact CZ-CG 3.94Å; F59-M63 HydrophobicContact CZ-SD 4.32Å; F59-M63 WeakPolarHBondContact O-CB 3.46Å; F59-M63 WeakPolarHBondContact O-CG 3.39Å; F59-M63 PolarHBondContact O-N 2.66Å |
| 60 | Q | 96.5 | Very high | 95.8 | Very high | 112 Ų | 112 | 80.5 Ų | 80.5 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 177.4 | -71.5 | 172.7 | 27.4 | 0 | 0 | 111.8 | D56 K57 M63 E64 | D56-Q60 WeakPolarHBondContact O-CG 3.34Å; D56-Q60 PolarHBondContact O-N 3.16Å; D56-Q60 PolarHBondContact OD1-NE2 2.95Å; D56-Q60 PolarHBondContact OD2-NE2 2.92Å; K57-Q60 PolarHBondContact O-N 3.16Å; Q60-M63 PolarHBondContact O-N 3.36Å; Q60-E64 PolarHBondContact O-N 3.34Å |
| 61 | E | 96 | Very high | 96 | Very high | 109 Ų | 109 | 79.2 Ų | 79.2 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.6 | -71.2 | 175.8 | -174.5 | 0 | 0 | 111.5 | K57 M63 E64 V65 | K57-E61 WeakPolarHBondContact CE-OE1 3.34Å; K57-E61 IonicContact NZ-OE1 3.11Å; K57-E61 WeakPolarHBondContact O-CG 3.49Å; K57-E61 PolarHBondContact O-N 3.43Å; E61-M63 VanDerWaalsContact C-N 3.34Å; E61-M63 PolarHBondContact O-N 2.78Å; E61-E64 PolarHBondContact O-N 3.02Å; E61-V65 WeakPolarHBondContact O-CG2 3.38Å; E61-V65 PolarHBondContact O-N 3Å |
| 62 | L | 95.4 | Very high | 96.2 | Very high | 12 Ų | 12 | 79.6 Ų | 79.6 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.6 | -34.1 | 175.7 | -74.3 | 172.2 | 0 | 0 | 0 | 113.2 | R12 L13 V16 E58 F59 V65 A66 | R12-L62 HydrophobicContact CB-CD1 3.99Å; R12-L62 HydrophobicContact CB-CD2 4.26Å; L13-L62 HydrophobicContact CD2-CB 3.53Å; L13-L62 HydrophobicContact CG-CB 3.98Å; V16-L62 HydrophobicContact CG2-CD1 3.94Å; E58-L62 HydrophobicContact CG-CD1 4.18Å; E58-L62 WeakPolarHBondContact O-CB 3.36Å; E58-L62 VanDerWaalsContact O-CG 3.32Å; E58-L62 WeakPolarHBondContact O-CG 3.39Å; E58-L62 PolarHBondContact O-N 3.49Å; F59-L62 PolarHBondContact O-N 3.48Å; L62-V65 PolarHBondContact O-N 3.5Å; L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.31Å |
| 63 | M | 96 | Very high | 96.3 | Very high | 82 Ų | 82 | 82.1 Ų | 82.1 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 176.4 | -85.4 | -53.3 | -41 | 0 | 0 | 112.3 | L13 F59 Q60 E61 A66 Q67 | L13-M63 HydrophobicContact CD1-SD 3.7Å; L13-M63 HydrophobicContact CD2-CG 3.73Å; L13-M63 HydrophobicContact CD2-SD 3.66Å; L13-M63 HydrophobicContact CG-SD 4.34Å; F59-M63 HydrophobicContact CD1-CG 4.17Å; F59-M63 HydrophobicContact CE1-CG 3.73Å; F59-M63 HydrophobicContact CZ-CG 3.94Å; F59-M63 HydrophobicContact CZ-SD 4.32Å; F59-M63 WeakPolarHBondContact O-CB 3.46Å; F59-M63 WeakPolarHBondContact O-CG 3.39Å; F59-M63 PolarHBondContact O-N 2.66Å; Q60-M63 PolarHBondContact O-N 3.36Å; E61-M63 VanDerWaalsContact C-N 3.34Å; E61-M63 PolarHBondContact O-N 2.78Å; M63-A66 HydrophobicContact CE-CB 4.47Å; M63-A66 PolarHBondContact O-N 2.91Å; M63-Q67 PolarHBondContact O-N 2.67Å |
| 64 | E | 96.4 | Very high | 96.4 | Very high | 118 Ų | 118 | 83.9 Ų | 83.9 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 173.2 | -164.3 | -175.3 | 163.7 | 0 | 0 | 110.9 | Q60 E61 A66 Q67 Q68 | Q60-E64 PolarHBondContact O-N 3.34Å; E61-E64 PolarHBondContact O-N 3.02Å; E64-A66 PolarHBondContact O-N 2.93Å; E64-Q67 PolarHBondContact O-N 3.45Å; E64-Q67 VanDerWaalsContact O-N 3.16Å; E64-Q68 WeakPolarHBondContact O-CG 3.46Å; E64-Q68 PolarHBondContact O-N 3.29Å; E64-Q68 PolarHBondContact OE1-NE2 3.02Å |
| 65 | V | 95.9 | Very high | 96.4 | Very high | 62 Ų | 62 | 84.7 Ų | 84.7 | 38% | 0.376 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 175.2 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | T9 E61 L62 Q67 Q68 Q69 | T9-V65 HydrophobicContact CG2-CG1 4.14Å; E61-V65 WeakPolarHBondContact O-CG2 3.38Å; E61-V65 PolarHBondContact O-N 3Å; L62-V65 PolarHBondContact O-N 3.5Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 3Å; V65-Q68 PolarHBondContact O-N 2.87Å; V65-Q69 HydrophobicContact CG1-CG 4.45Å; V65-Q69 WeakPolarHBondContact O-CG 3.38Å; V65-Q69 PolarHBondContact O-N 3.14Å |
| 66 | A | 96.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 85.6 Ų | 85.6 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63 | -37 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T9 L13 L62 M63 E64 Q69 G70 | T9-A66 HydrophobicContact CG2-CB 4.09Å; L13-A66 HydrophobicContact CD1-CB 3.79Å; L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.31Å; M63-A66 HydrophobicContact CE-CB 4.47Å; M63-A66 PolarHBondContact O-N 2.91Å; E64-A66 PolarHBondContact O-N 2.93Å; A66-Q69 PolarHBondContact O-N 3.45Å; A66-G70 PolarHBondContact O-N 2.91Å |
| 67 | Q | 96.5 | Very high | 96.6 | Very high | 121 Ų | 121 | 85.9 Ų | 85.9 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.6 | -39.7 | 175.3 | -164.4 | -174.1 | 32.7 | 0 | 0 | 112 | M63 E64 V65 G70 K71 | M63-Q67 PolarHBondContact O-N 2.67Å; E64-Q67 PolarHBondContact O-N 3.45Å; E64-Q67 VanDerWaalsContact O-N 3.16Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 3Å; Q67-G70 PolarHBondContact O-N 2.97Å; Q67-K71 PolarHBondContact O-N 3.47Å; Q67-K71 VanDerWaalsContact O-N 3.16Å |
| 68 | Q | 96.5 | Very high | 96.7 | Very high | 96 Ų | 96 | 86.2 Ų | 86.2 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 174.5 | -67.2 | 175.1 | 17.3 | 0 | 0 | 111.2 | E64 V65 G70 K71 V72 | E64-Q68 WeakPolarHBondContact O-CG 3.46Å; E64-Q68 PolarHBondContact O-N 3.29Å; E64-Q68 PolarHBondContact OE1-NE2 3.02Å; V65-Q68 PolarHBondContact O-N 2.87Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; Q68-G70 PolarHBondContact O-N 3.26Å; Q68-K71 PolarHBondContact O-N 2.92Å; Q68-K71 VanDerWaalsContact O-N 3.16Å; Q68-V72 PolarHBondContact O-N 3.13Å; Q68-V72 VanDerWaalsContact O-N 3.11Å |
| 69 | Q | 95.6 | Very high | 96.8 | Very high | 93 Ų | 93 | 89 Ų | 89 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 173.7 | -72.6 | 174 | -6.1 | 0 | 0 | 112.1 | T9 V65 A66 K71 V72 H73 | T9-Q69 VanDerWaalsContact OG1-CD 3.26Å; T9-Q69 PolarHBondContact OG1-NE2 3.04Å; T9-Q69 PolarHBondContact OG1-OE1 2.99Å; V65-Q69 HydrophobicContact CG1-CG 4.45Å; V65-Q69 WeakPolarHBondContact O-CG 3.38Å; V65-Q69 PolarHBondContact O-N 3.14Å; A66-Q69 PolarHBondContact O-N 3.45Å; Q69-K71 PolarHBondContact O-N 3.37Å; Q69-V72 PolarHBondContact O-N 3.48Å; Q69-H73 WeakPolarHBondContact O-CB 3.39Å; Q69-H73 PolarHBondContact O-N 3.34Å |
| 70 | G | 96 | Very high | 96.9 | Very high | 33 Ų | 33 | 92 Ų | 92 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A66 Q67 Q68 H73 Q74 | A66-G70 PolarHBondContact O-N 2.91Å; Q67-G70 PolarHBondContact O-N 2.97Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; Q68-G70 PolarHBondContact O-N 3.26Å; G70-H73 PolarHBondContact O-N 3.47Å; G70-Q74 WeakPolarHBondContact O-CG 3.48Å; G70-Q74 PolarHBondContact O-N 2.86Å; G70-Q74 VanDerWaalsContact O-N 3.13Å |
| 71 | K | 97.6 | Very high | 97 | Very high | 114 Ų | 114 | 92.7 Ų | 92.7 | 50% | 0.496 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -49.5 | 175.4 | -67.5 | 171.9 | -175.1 | 172.4 | 0 | 111.5 | Q67 Q68 Q69 H73 Q74 E75 | Q67-K71 PolarHBondContact O-N 3.47Å; Q67-K71 VanDerWaalsContact O-N 3.16Å; Q68-K71 PolarHBondContact O-N 2.92Å; Q68-K71 VanDerWaalsContact O-N 3.16Å; Q69-K71 PolarHBondContact O-N 3.37Å; K71-H73 VanDerWaalsContact C-N 3.25Å; K71-H73 PolarHBondContact O-N 3.09Å; K71-Q74 WeakPolarHBondContact O-CB 3.31Å; K71-Q74 PolarHBondContact O-N 3.37Å; K71-Q74 VanDerWaalsContact O-N 3.08Å; K71-E75 PolarHBondContact O-N 3Å |
| 72 | V | 97.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 90.7 Ų | 90.7 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 177.7 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | Q68 Q69 E75 M76 | Q68-V72 PolarHBondContact O-N 3.13Å; Q68-V72 VanDerWaalsContact O-N 3.11Å; Q69-V72 PolarHBondContact O-N 3.48Å; V72-E75 PolarHBondContact O-N 3.16Å; V72-M76 WeakPolarHBondContact O-CB 3.38Å; V72-M76 PolarHBondContact O-N 3.36Å |
| 73 | H | 96.6 | Very high | 97.2 | Very high | 90 Ų | 90 | 93.6 Ų | 93.6 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 176.1 | -171.8 | 63.1 | 0 | 0 | 0 | 112.9 | Q69 G70 K71 M76 Q77 | Q69-H73 WeakPolarHBondContact O-CB 3.39Å; Q69-H73 PolarHBondContact O-N 3.34Å; G70-H73 PolarHBondContact O-N 3.47Å; K71-H73 VanDerWaalsContact C-N 3.25Å; K71-H73 PolarHBondContact O-N 3.09Å; H73-M76 WeakPolarHBondContact ND1-CE 3.42Å; H73-M76 PolarHBondContact O-N 3.15Å; H73-Q77 PolarHBondContact CD2-NE2 2.73Å; H73-Q77 VanDerWaalsContact CD2-NE2 3.33Å; H73-Q77 PolarHBondContact NE2-NE2 3.28Å; H73-Q77 WeakPolarHBondContact O-CG 3.37Å; H73-Q77 PolarHBondContact O-N 3.03Å |
| 74 | Q | 97.9 | Very high | 97.4 | Very high | 127 Ų | 127 | 96.4 Ų | 96.4 | 59% | 0.593 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 173.4 | -70.8 | 171.8 | 7.5 | 0 | 0 | 111.9 | G70 K71 M76 Q77 L78 | G70-Q74 WeakPolarHBondContact O-CG 3.48Å; G70-Q74 PolarHBondContact O-N 2.86Å; G70-Q74 VanDerWaalsContact O-N 3.13Å; K71-Q74 WeakPolarHBondContact O-CB 3.31Å; K71-Q74 PolarHBondContact O-N 3.37Å; K71-Q74 VanDerWaalsContact O-N 3.08Å; Q74-M76 VanDerWaalsContact C-N 3.34Å; Q74-Q77 PolarHBondContact O-N 3.36Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 2.88Å; Q74-L78 VanDerWaalsContact O-N 3.09Å |
| 75 | E | 98 | Very high | 97.5 | Very high | 133 Ų | 133 | 96.3 Ų | 96.3 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 175.4 | -69.6 | 176.8 | 177.2 | 0 | 0 | 111.6 | K71 V72 L78 L79 | K71-E75 PolarHBondContact O-N 3Å; V72-E75 PolarHBondContact O-N 3.16Å; E75-L78 PolarHBondContact O-N 2.9Å; E75-L79 PolarHBondContact O-N 3.1Å |
| 76 | M | 98.1 | Very high | 97.6 | Very high | 89 Ų | 89 | 99.7 Ų | 99.7 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.9 | -176.7 | 164.4 | 57.2 | 0 | 0 | 112.1 | V72 H73 Q74 L78 L79 E80 | V72-M76 WeakPolarHBondContact O-CB 3.38Å; V72-M76 PolarHBondContact O-N 3.36Å; H73-M76 WeakPolarHBondContact ND1-CE 3.42Å; H73-M76 PolarHBondContact O-N 3.15Å; Q74-M76 VanDerWaalsContact C-N 3.34Å; M76-L78 VanDerWaalsContact C-N 3.28Å; M76-L78 PolarHBondContact O-N 3.22Å; M76-L79 PolarHBondContact O-N 2.88Å; M76-L79 VanDerWaalsContact O-N 3.14Å; M76-E80 WeakPolarHBondContact O-CG 3.48Å; M76-E80 PolarHBondContact O-N 3.38Å |
| 77 | Q | 98.2 | Very high | 97.7 | Very high | 78 Ų | 78 | 102.4 Ų | 102.4 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -32.5 | 176.1 | -73.7 | -177.5 | 13.8 | 0 | 0 | 113.5 | H73 Q74 K81 | H73-Q77 PolarHBondContact CD2-NE2 2.73Å; H73-Q77 VanDerWaalsContact CD2-NE2 3.33Å; H73-Q77 PolarHBondContact NE2-NE2 3.28Å; H73-Q77 WeakPolarHBondContact O-CG 3.37Å; H73-Q77 PolarHBondContact O-N 3.03Å; Q74-Q77 PolarHBondContact O-N 3.36Å; Q77-K81 WeakPolarHBondContact O-CG 3.35Å; Q77-K81 PolarHBondContact O-N 2.75Å |
| 78 | L | 97.8 | Very high | 97.8 | Very high | 120 Ų | 120 | 99.9 Ų | 99.9 | 63% | 0.628 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71 | -41.3 | 174.7 | -71.1 | 173.2 | 0 | 0 | 0 | 111 | Q74 E75 M76 E82 | Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 2.88Å; Q74-L78 VanDerWaalsContact O-N 3.09Å; E75-L78 PolarHBondContact O-N 2.9Å; M76-L78 VanDerWaalsContact C-N 3.28Å; M76-L78 PolarHBondContact O-N 3.22Å; L78-E82 WeakPolarHBondContact O-CB 3.37Å; L78-E82 PolarHBondContact O-N 3.2Å |
| 79 | L | 98.3 | Very high | 97.9 | Very high | 115 Ų | 115 | 99 Ų | 99 | 60% | 0.602 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.1 | -41 | 177.9 | -168.9 | 64.8 | 0 | 0 | 0 | 111.9 | E75 M76 K81 E82 V83 | E75-L79 PolarHBondContact O-N 3.1Å; M76-L79 PolarHBondContact O-N 2.88Å; M76-L79 VanDerWaalsContact O-N 3.14Å; L79-K81 PolarHBondContact O-N 3.45Å; L79-E82 CarbonylContact O-C 3.59Å; L79-E82 PolarHBondContact O-N 3.23Å; L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 3.14Å |
| 80 | E | 98.1 | Very high | 98 | Very high | 111 Ų | 111 | 99.3 Ų | 99.3 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.4 | -48.3 | 175.5 | -76.6 | 171.3 | 170 | 0 | 0 | 112 | M76 E82 V83 E84 | M76-E80 WeakPolarHBondContact O-CG 3.48Å; M76-E80 PolarHBondContact O-N 3.38Å; E80-E82 VanDerWaalsContact C-N 3.3Å; E80-E82 PolarHBondContact O-N 2.86Å; E80-V83 PolarHBondContact O-N 3.32Å; E80-E84 PolarHBondContact O-N 3.42Å |
| 81 | K | 98.1 | Very high | 98.1 | Very high | 127 Ų | 127 | 103.9 Ų | 103.9 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -37.1 | 177 | -70.7 | 169.6 | -175.7 | 171.7 | 0 | 113 | Q77 L79 K85 | Q77-K81 WeakPolarHBondContact O-CG 3.35Å; Q77-K81 PolarHBondContact O-N 2.75Å; L79-K81 PolarHBondContact O-N 3.45Å; K81-K85 WeakPolarHBondContact O-CB 3.37Å; K81-K85 PolarHBondContact O-N 2.92Å |
| 82 | E | 98.3 | Very high | 98.2 | Very high | 68 Ų | 68 | 103.7 Ų | 103.7 | 32% | 0.318 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -79.5 | -20.4 | -178.7 | 180 | 58.7 | -163.2 | 0 | 0 | 111.9 | L78 L79 E80 R86 | L78-E82 WeakPolarHBondContact O-CB 3.37Å; L78-E82 PolarHBondContact O-N 3.2Å; L79-E82 CarbonylContact O-C 3.59Å; L79-E82 PolarHBondContact O-N 3.23Å; E80-E82 VanDerWaalsContact C-N 3.3Å; E80-E82 PolarHBondContact O-N 2.86Å; E82-R86 VanDerWaalsContact CD-NH1 3.32Å; E82-R86 VanDerWaalsContact CG-NH1 3.27Å; E82-R86 PolarHBondContact O-N 3.47Å; E82-R86 PolarHBondContact O-NH1 2.97Å; E82-R86 IonicContact OE1-CZ 3.07Å; E82-R86 IonicContact OE1-NH1 2.66Å; E82-R86 PolarHBondContact OE1-NH1 3.23Å; E82-R86 IonicContact OE1-NH2 3.13Å; E82-R86 PolarHBondContact OE1-NH2 2.95Å |
| 83 | V | 98.6 | Very high | 98.2 | Very high | 72 Ų | 72 | 104.1 Ų | 104.1 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.3 | -50.7 | 164.1 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L79 E80 K85 R86 D87 | L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 3.14Å; E80-V83 PolarHBondContact O-N 3.32Å; V83-K85 PolarHBondContact O-N 3.33Å; V83-R86 WeakPolarHBondContact O-CA 3.45Å; V83-R86 PolarHBondContact O-N 2.88Å; V83-D87 PolarHBondContact O-N 3.24Å |
| 84 | E | 98.4 | Very high | 98.3 | Very high | 142 Ų | 142 | 105 Ų | 105 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -54.6 | -41.9 | 178.4 | -177.5 | 178.3 | -156.4 | 0 | 0 | 111.7 | E80 D87 S88 | E80-E84 PolarHBondContact O-N 3.42Å; E84-D87 PolarHBondContact O-N 3Å; E84-S88 PolarHBondContact O-N 2.95Å |
| 85 | K | 98.5 | Very high | 98.4 | Very high | 116 Ų | 116 | 106 Ų | 106 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 172.6 | -177.2 | -175.5 | 169.8 | -166.1 | 0 | 112.6 | K81 V83 D87 S88 D89 | K81-K85 WeakPolarHBondContact O-CB 3.37Å; K81-K85 PolarHBondContact O-N 2.92Å; V83-K85 PolarHBondContact O-N 3.33Å; K85-D87 VanDerWaalsContact C-N 3.34Å; K85-D87 PolarHBondContact O-N 2.88Å; K85-S88 WeakPolarHBondContact O-CB 3.43Å; K85-S88 PolarHBondContact O-N 3.48Å; K85-D89 PolarHBondContact O-N 3.42Å |
| 86 | R | 98.3 | Very high | 98.4 | Very high | 132 Ų | 132 | 104.3 Ų | 104.3 | 50% | 0.498 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 178 | -81.4 | -168.6 | 179.2 | 70.4 | 19.4 | 112.4 | E82 V83 S88 D89 I90 | E82-R86 VanDerWaalsContact CD-NH1 3.32Å; E82-R86 VanDerWaalsContact CG-NH1 3.27Å; E82-R86 PolarHBondContact O-N 3.47Å; E82-R86 PolarHBondContact O-NH1 2.97Å; E82-R86 IonicContact OE1-CZ 3.07Å; E82-R86 IonicContact OE1-NH1 2.66Å; E82-R86 PolarHBondContact OE1-NH1 3.23Å; E82-R86 IonicContact OE1-NH2 3.13Å; E82-R86 PolarHBondContact OE1-NH2 2.95Å; V83-R86 WeakPolarHBondContact O-CA 3.45Å; V83-R86 PolarHBondContact O-N 2.88Å; R86-S88 VanDerWaalsContact C-N 3.31Å; R86-S88 PolarHBondContact O-N 2.89Å; R86-D89 PolarHBondContact O-N 3.32Å; R86-I90 WeakPolarHBondContact O-CB 3.21Å; R86-I90 WeakPolarHBondContact O-CD1 3.38Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 3.5Å |
| 87 | D | 98.6 | Very high | 98.4 | Very high | 83 Ų | 83 | 105.8 Ų | 105.8 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 175.9 | -76.3 | -16.7 | 0 | 0 | 0 | 111.2 | V83 E84 K85 I90 Q91 | V83-D87 PolarHBondContact O-N 3.24Å; E84-D87 PolarHBondContact O-N 3Å; K85-D87 VanDerWaalsContact C-N 3.34Å; K85-D87 PolarHBondContact O-N 2.88Å; D87-I90 PolarHBondContact O-N 3.43Å; D87-Q91 VanDerWaalsContact O-CG 3.26Å; D87-Q91 WeakPolarHBondContact O-CG 3.33Å; D87-Q91 PolarHBondContact O-N 3.01Å |
| 88 | S | 98.5 | Very high | 98.4 | Very high | 69 Ų | 69 | 107.9 Ų | 107.9 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 171.9 | -161 | 0 | 0 | 0 | 0 | 112.2 | E84 K85 R86 I90 Q91 Q92 | E84-S88 PolarHBondContact O-N 2.95Å; K85-S88 WeakPolarHBondContact O-CB 3.43Å; K85-S88 PolarHBondContact O-N 3.48Å; R86-S88 VanDerWaalsContact C-N 3.31Å; R86-S88 PolarHBondContact O-N 2.89Å; S88-I90 VanDerWaalsContact C-N 3.33Å; S88-I90 PolarHBondContact O-N 2.96Å; S88-Q91 PolarHBondContact O-N 3.4Å; S88-Q92 PolarHBondContact O-N 3.39Å |
| 89 | D | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 107.6 Ų | 107.6 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 176.1 | -69.9 | -26.7 | 0 | 0 | 0 | 111.4 | K85 R86 Q92 L93 | K85-D89 PolarHBondContact O-N 3.42Å; R86-D89 PolarHBondContact O-N 3.32Å; D89-Q92 PolarHBondContact O-N 3.4Å; D89-L93 WeakPolarHBondContact O-CB 3.39Å; D89-L93 WeakPolarHBondContact O-CG 3.26Å; D89-L93 PolarHBondContact O-N 3.38Å |
| 90 | I | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 104.7 Ų | 104.7 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.1 | -72.1 | 164 | 0 | 0 | 0 | 111.3 | R86 D87 S88 L93 Q94 | R86-I90 WeakPolarHBondContact O-CB 3.21Å; R86-I90 WeakPolarHBondContact O-CD1 3.38Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 3.5Å; D87-I90 PolarHBondContact O-N 3.43Å; S88-I90 VanDerWaalsContact C-N 3.33Å; S88-I90 PolarHBondContact O-N 2.96Å; I90-L93 PolarHBondContact O-N 2.92Å; I90-Q94 WeakPolarHBondContact O-CB 3.47Å; I90-Q94 PolarHBondContact O-N 3.24Å |
| 91 | Q | 98.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 106 Ų | 106 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | 176.7 | -73.2 | 174 | 29 | 0 | 0 | 111.7 | D87 S88 Q94 K95 | D87-Q91 VanDerWaalsContact O-CG 3.26Å; D87-Q91 WeakPolarHBondContact O-CG 3.33Å; D87-Q91 PolarHBondContact O-N 3.01Å; S88-Q91 PolarHBondContact O-N 3.4Å; Q91-Q94 PolarHBondContact O-N 3.02Å; Q91-K95 PolarHBondContact O-N 3.25Å |
| 92 | Q | 98.5 | Very high | 98.5 | Very high | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 176 | -179 | 172.7 | -15.2 | 0 | 0 | 111.7 | S88 D89 Q94 K95 Q96 | S88-Q92 PolarHBondContact O-N 3.39Å; D89-Q92 PolarHBondContact O-N 3.4Å; Q92-Q94 PolarHBondContact O-N 2.88Å; Q92-K95 PolarHBondContact O-N 2.95Å; Q92-Q96 WeakPolarHBondContact O-CG 3.44Å; Q92-Q96 PolarHBondContact O-N 2.91Å |
| 93 | L | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 108 Ų | 108 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.9 | -74.2 | 169 | 0 | 0 | 0 | 111.7 | D89 I90 K95 Q96 L97 | D89-L93 WeakPolarHBondContact O-CB 3.39Å; D89-L93 WeakPolarHBondContact O-CG 3.26Å; D89-L93 PolarHBondContact O-N 3.38Å; I90-L93 PolarHBondContact O-N 2.92Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.3Å; L93-Q96 PolarHBondContact O-N 3.41Å; L93-L97 WeakPolarHBondContact O-CB 3.31Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.41Å |
| 94 | Q | 98.6 | Very high | 98.5 | Very high | 107 Ų | 107 | 110 Ų | 110 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 176.7 | -167.2 | -166.4 | 26.9 | 0 | 0 | 111.8 | I90 Q91 Q92 K98 | I90-Q94 WeakPolarHBondContact O-CB 3.47Å; I90-Q94 PolarHBondContact O-N 3.24Å; Q91-Q94 PolarHBondContact O-N 3.02Å; Q92-Q94 PolarHBondContact O-N 2.88Å; Q94-K98 WeakPolarHBondContact O-CG 3.38Å; Q94-K98 PolarHBondContact O-N 3.24Å; Q94-K98 VanDerWaalsContact O-N 3.14Å |
| 95 | K | 98.5 | Very high | 98.5 | Very high | 148 Ų | 148 | 106.1 Ų | 106.1 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -49.1 | 175.8 | -176.6 | -177.8 | 175.5 | -175.7 | 0 | 111.2 | Q91 Q92 L93 L97 K98 E99 | Q91-K95 PolarHBondContact O-N 3.25Å; Q92-K95 PolarHBondContact O-N 2.95Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.3Å; K95-L97 VanDerWaalsContact C-N 3.33Å; K95-L97 PolarHBondContact O-N 3.48Å; K95-K98 PolarHBondContact O-N 3.14Å; K95-E99 PolarHBondContact O-N 2.87Å |
| 96 | Q | 98.5 | Very high | 98.5 | Very high | 98 Ų | 98 | 103.2 Ų | 103.2 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 179 | -71.6 | 177.9 | -17.3 | 0 | 0 | 112.4 | Q92 L93 E99 A100 | Q92-Q96 WeakPolarHBondContact O-CG 3.44Å; Q92-Q96 PolarHBondContact O-N 2.91Å; L93-Q96 PolarHBondContact O-N 3.41Å; Q96-E99 PolarHBondContact O-N 3.01Å; Q96-A100 WeakPolarHBondContact O-CB 3.29Å; Q96-A100 PolarHBondContact O-N 3.41Å |
| 97 | L | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 99.3 Ų | 99.3 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 176.9 | -73.5 | 170.4 | 0 | 0 | 0 | 112.4 | L93 K95 E99 A100 E101 | L93-L97 WeakPolarHBondContact O-CB 3.31Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.41Å; K95-L97 VanDerWaalsContact C-N 3.33Å; K95-L97 PolarHBondContact O-N 3.48Å; L97-E99 VanDerWaalsContact C-N 3.34Å; L97-A100 PolarHBondContact O-N 3.42Å; L97-E101 WeakPolarHBondContact O-CB 3.34Å; L97-E101 PolarHBondContact O-N 2.99Å |
| 98 | K | 98.5 | Very high | 98.5 | Very high | 122 Ų | 122 | 98.4 Ų | 98.4 | 53% | 0.53 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 174.6 | -73.4 | 174.8 | 178.4 | 174.7 | 0 | 112.5 | Q94 K95 H102 | Q94-K98 WeakPolarHBondContact O-CG 3.38Å; Q94-K98 PolarHBondContact O-N 3.24Å; Q94-K98 VanDerWaalsContact O-N 3.14Å; K95-K98 PolarHBondContact O-N 3.14Å; K98-H102 WeakPolarHBondContact O-CB 3.43Å; K98-H102 PolarHBondContact O-N 3.3Å |
| 99 | E | 98.3 | Very high | 98.5 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 175.7 | -172.2 | 175.8 | 168.6 | 0 | 0 | 111.3 | K95 Q96 L97 E101 H102 I103 | K95-E99 PolarHBondContact O-N 2.87Å; Q96-E99 PolarHBondContact O-N 3.01Å; L97-E99 VanDerWaalsContact C-N 3.34Å; E99-E101 PolarHBondContact O-N 3.47Å; E99-H102 PolarHBondContact O-N 3.06Å; E99-I103 HydrophobicContact CG-CD1 4.17Å; E99-I103 WeakPolarHBondContact O-CG1 3.34Å; E99-I103 PolarHBondContact O-N 3.29Å |
| 100 | A | 98.5 | Very high | 98.5 | Very high | 54 Ų | 54 | 103.6 Ų | 103.6 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q96 L97 I103 L104 | Q96-A100 WeakPolarHBondContact O-CB 3.29Å; Q96-A100 PolarHBondContact O-N 3.41Å; L97-A100 PolarHBondContact O-N 3.42Å; A100-I103 PolarHBondContact O-N 2.85Å; A100-L104 VanDerWaalsContact O-CB 3.27Å; A100-L104 WeakPolarHBondContact O-CB 3.27Å; A100-L104 PolarHBondContact O-N 3.44Å |
| 101 | E | 98.3 | Very high | 98.5 | Very high | 137 Ų | 137 | 101.1 Ų | 101.1 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.5 | -47.4 | 172.8 | 180 | -178.1 | -167.7 | 0 | 0 | 111.3 | L97 E99 L104 A105 | L97-E101 WeakPolarHBondContact O-CB 3.34Å; L97-E101 PolarHBondContact O-N 2.99Å; E99-E101 PolarHBondContact O-N 3.47Å; E101-L104 PolarHBondContact O-N 2.87Å; E101-A105 WeakPolarHBondContact O-CB 3.42Å; E101-A105 PolarHBondContact O-N 3.49Å |
| 102 | H | 98.3 | Very high | 98.4 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 62% | 0.616 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | -179.9 | -177.1 | 68.9 | 0 | 0 | 0 | 112.8 | K98 E99 T106 | K98-H102 WeakPolarHBondContact O-CB 3.43Å; K98-H102 PolarHBondContact O-N 3.3Å; E99-H102 PolarHBondContact O-N 3.06Å; H102-T106 WeakPolarHBondContact O-CB 3.37Å; H102-T106 PolarHBondContact O-N 3.14Å; H102-T106 PolarHBondContact O-OG1 2.92Å |
| 103 | I | 98.3 | Very high | 98.4 | Very high | 104 Ų | 104 | 99.1 Ų | 99.1 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 174.9 | -67.4 | 165.8 | 0 | 0 | 0 | 110.1 | E99 A100 T106 A107 | E99-I103 HydrophobicContact CG-CD1 4.17Å; E99-I103 WeakPolarHBondContact O-CG1 3.34Å; E99-I103 PolarHBondContact O-N 3.29Å; A100-I103 PolarHBondContact O-N 2.85Å; I103-T106 PolarHBondContact O-N 3.03Å; I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 3.48Å |
| 104 | L | 98.4 | Very high | 98.4 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -44.2 | -179.7 | -177.8 | 62 | 0 | 0 | 0 | 112.1 | A100 E101 T106 A107 V108 | A100-L104 VanDerWaalsContact O-CB 3.27Å; A100-L104 WeakPolarHBondContact O-CB 3.27Å; A100-L104 PolarHBondContact O-N 3.44Å; E101-L104 PolarHBondContact O-N 2.87Å; L104-T106 VanDerWaalsContact C-N 3.33Å; L104-T106 PolarHBondContact O-N 3.31Å; L104-A107 PolarHBondContact O-N 2.94Å; L104-V108 HydrophobicContact CD1-CG2 4.19Å; L104-V108 HydrophobicContact CG-CG2 4.45Å; L104-V108 WeakPolarHBondContact O-CB 3.35Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.38Å; L104-V108 PolarHBondContact O-N 3.04Å |
| 105 | A | 98.4 | Very high | 98.4 | Very high | 61 Ų | 61 | 100.6 Ų | 100.6 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E101 V108 Y109 | E101-A105 WeakPolarHBondContact O-CB 3.42Å; E101-A105 PolarHBondContact O-N 3.49Å; A105-V108 PolarHBondContact O-N 3.35Å; A105-Y109 WeakPolarHBondContact O-CB 3.47Å; A105-Y109 PolarHBondContact O-N 2.97Å |
| 106 | T | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 99.4 Ų | 99.4 | 34% | 0.337 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | H102 I103 L104 V108 Y109 Q110 | H102-T106 WeakPolarHBondContact O-CB 3.37Å; H102-T106 PolarHBondContact O-N 3.14Å; H102-T106 PolarHBondContact O-OG1 2.92Å; I103-T106 PolarHBondContact O-N 3.03Å; L104-T106 VanDerWaalsContact C-N 3.33Å; L104-T106 PolarHBondContact O-N 3.31Å; T106-V108 PolarHBondContact O-N 3.3Å; T106-Y109 PolarHBondContact O-N 3.48Å; T106-Q110 WeakPolarHBondContact O-CG 3.37Å; T106-Q110 PolarHBondContact O-N 3.36Å |
| 107 | A | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 98 Ų | 98 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I103 L104 Q110 A111 | I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 3.48Å; L104-A107 PolarHBondContact O-N 2.94Å; A107-Q110 PolarHBondContact O-N 2.88Å; A107-A111 VanDerWaalsContact O-CB 3.29Å; A107-A111 WeakPolarHBondContact O-CB 3.49Å; A107-A111 PolarHBondContact O-N 2.89Å |
| 108 | V | 98.5 | Very high | 98.1 | Very high | 63 Ų | 63 | 97.2 Ų | 97.2 | 38% | 0.382 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.2 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | L104 A105 T106 A111 K112 | L104-V108 HydrophobicContact CD1-CG2 4.19Å; L104-V108 HydrophobicContact CG-CG2 4.45Å; L104-V108 WeakPolarHBondContact O-CB 3.35Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.38Å; L104-V108 PolarHBondContact O-N 3.04Å; A105-V108 PolarHBondContact O-N 3.35Å; T106-V108 PolarHBondContact O-N 3.3Å; V108-A111 PolarHBondContact O-N 2.96Å; V108-K112 HydrophobicContact CG1-CD 4.28Å; V108-K112 WeakPolarHBondContact O-CG 3.35Å; V108-K112 PolarHBondContact O-N 3.44Å |
| 109 | Y | 98.4 | Very high | 97.9 | Very high | 150 Ų | 150 | 96.2 Ų | 96.2 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.1 | -51.1 | 174.5 | 179.2 | -96.9 | 0 | 0 | 0 | 111.4 | A105 T106 A111 K112 E113 | A105-Y109 WeakPolarHBondContact O-CB 3.47Å; A105-Y109 PolarHBondContact O-N 2.97Å; T106-Y109 PolarHBondContact O-N 3.48Å; Y109-A111 VanDerWaalsContact C-N 3.31Å; Y109-A111 PolarHBondContact O-N 3.39Å; Y109-K112 WeakPolarHBondContact O-CB 3.43Å; Y109-K112 PolarHBondContact O-N 2.9Å; Y109-K112 VanDerWaalsContact O-N 3.14Å; Y109-E113 HydrophobicContact CD1-CG 4.48Å; Y109-E113 HydrophobicContact CE1-CG 3.98Å; Y109-E113 PolarHBondContact O-N 3.44Å |
| 110 | Q | 98.5 | Very high | 97.7 | Very high | 104 Ų | 104 | 98.9 Ų | 98.9 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 177.5 | -69.1 | -179.6 | 12.5 | 0 | 0 | 112.6 | T106 A107 E113 K114 | T106-Q110 WeakPolarHBondContact O-CG 3.37Å; T106-Q110 PolarHBondContact O-N 3.36Å; A107-Q110 PolarHBondContact O-N 2.88Å; Q110-E113 PolarHBondContact O-N 3.44Å; Q110-K114 WeakPolarHBondContact O-CB 3.41Å; Q110-K114 WeakPolarHBondContact O-CG 3.44Å; Q110-K114 PolarHBondContact O-N 3Å |
| 111 | A | 98.4 | Very high | 97.5 | Very high | 50 Ų | 50 | 99.4 Ų | 99.4 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A107 V108 Y109 K114 L115 | A107-A111 VanDerWaalsContact O-CB 3.29Å; A107-A111 WeakPolarHBondContact O-CB 3.49Å; A107-A111 PolarHBondContact O-N 2.89Å; V108-A111 PolarHBondContact O-N 2.96Å; Y109-A111 VanDerWaalsContact C-N 3.31Å; Y109-A111 PolarHBondContact O-N 3.39Å; A111-K114 PolarHBondContact O-N 3.06Å; A111-L115 WeakPolarHBondContact O-CG 3.24Å; A111-L115 PolarHBondContact O-N 2.88Å |
| 112 | K | 98.2 | Very high | 97.1 | Very high | 124 Ų | 124 | 101.4 Ų | 101.4 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.2 | -74.7 | 173.1 | 179.3 | 177.9 | 0 | 112.2 | V108 Y109 L115 K116 | V108-K112 HydrophobicContact CG1-CD 4.28Å; V108-K112 WeakPolarHBondContact O-CG 3.35Å; V108-K112 PolarHBondContact O-N 3.44Å; Y109-K112 WeakPolarHBondContact O-CB 3.43Å; Y109-K112 PolarHBondContact O-N 2.9Å; Y109-K112 VanDerWaalsContact O-N 3.14Å; K112-L115 PolarHBondContact O-N 3.48Å; K112-K116 WeakPolarHBondContact O-CG 3.49Å; K112-K116 PolarHBondContact O-N 3.39Å |
| 113 | E | 98.3 | Very high | 96.8 | Very high | 72 Ų | 72 | 103.2 Ų | 103.2 | 34% | 0.336 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.4 | -68.1 | -51.1 | 116.7 | 0 | 0 | 112.4 | Y109 Q110 L115 K116 S117 | Y109-E113 HydrophobicContact CD1-CG 4.48Å; Y109-E113 HydrophobicContact CE1-CG 3.98Å; Y109-E113 PolarHBondContact O-N 3.44Å; Q110-E113 PolarHBondContact O-N 3.44Å; E113-L115 PolarHBondContact O-N 2.97Å; E113-K116 PolarHBondContact O-N 2.84Å; E113-K116 WeakPolarHBondContact OE1-CE 3.37Å; E113-K116 IonicContact OE1-NZ 3.82Å; E113-K116 PolarHBondContact OE1-NZ 3.47Å; E113-K116 IonicContact OE2-NZ 3.95Å; E113-S117 PolarHBondContact O-N 3.3Å |
| 114 | K | 97.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -37.6 | 172.8 | -74 | 175.9 | -178.8 | 176.8 | 0 | 112.6 | Q110 A111 S117 I118 | Q110-K114 WeakPolarHBondContact O-CB 3.41Å; Q110-K114 WeakPolarHBondContact O-CG 3.44Å; Q110-K114 PolarHBondContact O-N 3Å; A111-K114 PolarHBondContact O-N 3.06Å; K114-S117 PolarHBondContact O-N 3.31Å; K114-S117 PolarHBondContact O-OG 3.29Å; K114-I118 WeakPolarHBondContact O-CD1 3.46Å; K114-I118 VanDerWaalsContact O-CG1 3.24Å; K114-I118 WeakPolarHBondContact O-CG1 3.5Å; K114-I118 PolarHBondContact O-N 3.31Å |
| 115 | L | 98.1 | Very high | 95.7 | Very high | 105 Ų | 105 | 99.9 Ų | 99.9 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.4 | -73.8 | 169.8 | 0 | 0 | 0 | 111.8 | A111 K112 E113 S117 I118 E119 | A111-L115 WeakPolarHBondContact O-CG 3.24Å; A111-L115 PolarHBondContact O-N 2.88Å; K112-L115 PolarHBondContact O-N 3.48Å; E113-L115 PolarHBondContact O-N 2.97Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.97Å; L115-I118 PolarHBondContact O-N 3.44Å; L115-E119 PolarHBondContact O-N 3.24Å |
| 116 | K | 97.1 | Very high | 95.3 | Very high | 122 Ų | 122 | 102.4 Ų | 102.4 | 53% | 0.53 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 174.4 | -69.2 | 173.3 | -176.8 | 173.4 | 0 | 112.3 | K112 E113 E119 K120 | K112-K116 WeakPolarHBondContact O-CG 3.49Å; K112-K116 PolarHBondContact O-N 3.39Å; E113-K116 PolarHBondContact O-N 2.84Å; E113-K116 WeakPolarHBondContact OE1-CE 3.37Å; E113-K116 IonicContact OE1-NZ 3.82Å; E113-K116 PolarHBondContact OE1-NZ 3.47Å; E113-K116 IonicContact OE2-NZ 3.95Å; K116-E119 PolarHBondContact O-N 2.6Å; K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 PolarHBondContact O-N 3.12Å |
| 117 | S | 95.9 | Very high | 95 | Very high | 69 Ų | 69 | 102.2 Ų | 102.2 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 179.2 | 69.6 | 0 | 0 | 0 | 0 | 112.3 | E113 K114 L115 K120 A121 | E113-S117 PolarHBondContact O-N 3.3Å; K114-S117 PolarHBondContact O-N 3.31Å; K114-S117 PolarHBondContact O-OG 3.29Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.97Å; S117-K120 PolarHBondContact O-N 3.06Å; S117-A121 WeakPolarHBondContact O-CB 3.1Å; S117-A121 PolarHBondContact O-N 2.6Å |
| 118 | I | 95.9 | Very high | 94.7 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 171.5 | -69.6 | 164.3 | 0 | 0 | 0 | 111.1 | K114 L115 K120 A121 R122 | K114-I118 WeakPolarHBondContact O-CD1 3.46Å; K114-I118 VanDerWaalsContact O-CG1 3.24Å; K114-I118 WeakPolarHBondContact O-CG1 3.5Å; K114-I118 PolarHBondContact O-N 3.31Å; L115-I118 PolarHBondContact O-N 3.44Å; I118-K120 PolarHBondContact O-N 3.03Å; I118-A121 PolarHBondContact O-N 3.05Å; I118-R122 WeakPolarHBondContact O-CB 3.16Å; I118-R122 PolarHBondContact O-N 2.65Å |
| 119 | E | 96.1 | Very high | 94.5 | Very high | 101 Ų | 101 | 106.5 Ų | 106.5 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 176.7 | -76.1 | -172.3 | -176.9 | 0 | 0 | 112.7 | L115 K116 R122 K123 | L115-E119 PolarHBondContact O-N 3.24Å; K116-E119 PolarHBondContact O-N 2.6Å; E119-R122 PolarHBondContact O-N 3.07Å; E119-K123 WeakPolarHBondContact O-CG 3.38Å; E119-K123 PolarHBondContact O-N 3.06Å |
| 120 | K | 94.1 | Very high | 94.2 | Very high | 169 Ų | 169 | 104.6 Ų | 104.6 | 74% | 0.735 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 174.4 | -173.7 | 179.8 | 179.5 | -177.9 | 0 | 111.1 | K116 S117 I118 K123 G124 | K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 PolarHBondContact O-N 3.12Å; S117-K120 PolarHBondContact O-N 3.06Å; I118-K120 PolarHBondContact O-N 3.03Å; K120-K123 PolarHBondContact O-N 3.44Å; K120-G124 PolarHBondContact O-N 3.15Å |
| 121 | A | 92.5 | Very high | 94 | Very high | 66 Ų | 66 | 104.2 Ų | 104.2 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S117 I118 K123 G124 S125 | S117-A121 WeakPolarHBondContact O-CB 3.1Å; S117-A121 PolarHBondContact O-N 2.6Å; I118-A121 PolarHBondContact O-N 3.05Å; A121-K123 PolarHBondContact O-N 3.03Å; A121-G124 CarbonylContact O-C 3.3Å; A121-G124 VanDerWaalsContact O-C 3.3Å; A121-G124 PolarHBondContact O-N 3.27Å; A121-G124 VanDerWaalsContact O-N 3.15Å; A121-S125 PolarHBondContact O-N 3.39Å |
| 122 | R | 91 | Very high | 93.8 | Very high | 178 Ų | 178 | 107.4 Ų | 107.4 | 67% | 0.672 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.3 | -36.2 | 177 | -165.8 | -178.2 | 74.5 | -168.1 | 0 | 112.6 | I118 E119 G124 S125 | I118-R122 WeakPolarHBondContact O-CB 3.16Å; I118-R122 PolarHBondContact O-N 2.65Å; E119-R122 PolarHBondContact O-N 3.07Å; R122-G124 VanDerWaalsContact C-N 3.29Å; R122-G124 PolarHBondContact O-N 3.45Å; R122-S125 PolarHBondContact O-N 2.91Å; R122-S125 PolarHBondContact O-OG 3.35Å; R122-S125 VanDerWaalsContact O-OG 3.07Å |
| 123 | K | 92.8 | Very high | 93.6 | Very high | 172 Ų | 172 | 107 Ų | 107 | 75% | 0.748 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67 | -30.3 | 174.2 | -73.4 | 173.4 | -176 | 175.4 | 0 | 112.7 | E119 K120 A121 | E119-K123 WeakPolarHBondContact O-CG 3.38Å; E119-K123 PolarHBondContact O-N 3.06Å; K120-K123 PolarHBondContact O-N 3.44Å; A121-K123 PolarHBondContact O-N 3.03Å |
| 124 | G | 85.1 | Confident | 93.3 | Very high | 55 Ų | 55 | 110.5 Ų | 110.5 | 57% | 0.567 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 21.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K120 A121 R122 I126 | K120-G124 PolarHBondContact O-N 3.15Å; A121-G124 CarbonylContact O-C 3.3Å; A121-G124 VanDerWaalsContact O-C 3.3Å; A121-G124 PolarHBondContact O-N 3.27Å; A121-G124 VanDerWaalsContact O-N 3.15Å; R122-G124 VanDerWaalsContact C-N 3.29Å; R122-G124 PolarHBondContact O-N 3.45Å; G124-I126 PolarHBondContact O-N 3.41Å |
| 125 | S | 88.3 | Confident | 93 | Very high | 92 Ų | 92 | 106.5 Ų | 106.5 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.4 | -176.9 | 61.4 | 0 | 0 | 0 | 0 | 111 | A121 R122 | A121-S125 PolarHBondContact O-N 3.39Å; R122-S125 PolarHBondContact O-N 2.91Å; R122-S125 PolarHBondContact O-OG 3.35Å; R122-S125 VanDerWaalsContact O-OG 3.07Å |
| 126 | I | 89.9 | Confident | 92.7 | Very high | 115 Ų | 115 | 107.9 Ų | 107.9 | 59% | 0.59 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 142.7 | 172.8 | -58 | 168.5 | 0 | 0 | 0 | 107.6 | G124 E130 I131 | G124-I126 PolarHBondContact O-N 3.41Å; I126-E130 HydrophobicContact CG2-CB 3.9Å; I126-I131 HydrophobicContact CB-CD1 4.43Å; I126-I131 HydrophobicContact CB-CG1 4.42Å; I126-I131 HydrophobicContact CG2-CD1 4.43Å; I126-I131 HydrophobicContact CG2-CG1 3.9Å |
| 127 | S | 92.5 | Very high | 92.3 | Very high | 50 Ų | 50 | 110 Ų | 110 | 35% | 0.35 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 144.1 | 178.1 | 70.8 | 0 | 0 | 0 | 0 | 111 | E129 E130 I131 | S127-E129 PolarHBondContact O-N 2.99Å; S127-E130 VanDerWaalsContact CB-OE2 3.31Å; S127-E130 WeakPolarHBondContact CB-OE2 3.31Å; S127-E130 PolarHBondContact N-OE2 3.49Å; S127-E130 PolarHBondContact O-N 2.89Å; S127-E130 VanDerWaalsContact O-N 3.15Å; S127-E130 WeakPolarHBondContact OG-CB 3.44Å; S127-E130 WeakPolarHBondContact OG-CG 3.39Å; S127-E130 PolarHBondContact OG-N 3.27Å; S127-E130 VanDerWaalsContact OG-N 3.12Å; S127-E130 PolarHBondContact OG-OE2 3.37Å; S127-I131 WeakPolarHBondContact O-CG1 3.37Å; S127-I131 PolarHBondContact O-N 3.38Å; S127-I131 VanDerWaalsContact O-N 3.12Å |
| 128 | S | 91.8 | Very high | 91.8 | Very high | 91 Ų | 91 | 109.6 Ų | 109.6 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.2 | -31.5 | 174.5 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | I131 I132 | S128-I131 PolarHBondContact O-N 3.02Å; S128-I132 WeakPolarHBondContact O-CB 3.2Å; S128-I132 WeakPolarHBondContact O-CD1 3.38Å; S128-I132 WeakPolarHBondContact O-CG1 3.46Å; S128-I132 PolarHBondContact O-N 3.12Å |
| 129 | E | 93.5 | Very high | 91.2 | Very high | 113 Ų | 113 | 108.7 Ų | 108.7 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.2 | -42.2 | 175.4 | -166.4 | -174.9 | 167.4 | 0 | 0 | 112.7 | S127 I132 K133 | S127-E129 PolarHBondContact O-N 2.99Å; E129-I132 PolarHBondContact O-N 2.91Å; E129-K133 VanDerWaalsContact CD-NZ 3.33Å; E129-K133 HydrophobicContact CG-CD 4.26Å; E129-K133 WeakPolarHBondContact O-CB 3.47Å; E129-K133 VanDerWaalsContact O-CG 3.28Å; E129-K133 WeakPolarHBondContact O-CG 3.38Å; E129-K133 PolarHBondContact O-N 3.41Å; E129-K133 WeakPolarHBondContact OE1-CE 3.28Å; E129-K133 IonicContact OE1-NZ 3.6Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å |
| 130 | E | 93.1 | Very high | 90.5 | Very high | 110 Ų | 110 | 106.9 Ų | 106.9 | 51% | 0.514 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -41.9 | 173.4 | -75.1 | 162.4 | 129.9 | 0 | 0 | 111.7 | I126 S127 K133 Y134 | I126-E130 HydrophobicContact CG2-CB 3.9Å; S127-E130 VanDerWaalsContact CB-OE2 3.31Å; S127-E130 WeakPolarHBondContact CB-OE2 3.31Å; S127-E130 PolarHBondContact N-OE2 3.49Å; S127-E130 PolarHBondContact O-N 2.89Å; S127-E130 VanDerWaalsContact O-N 3.15Å; S127-E130 WeakPolarHBondContact OG-CB 3.44Å; S127-E130 WeakPolarHBondContact OG-CG 3.39Å; S127-E130 PolarHBondContact OG-N 3.27Å; S127-E130 VanDerWaalsContact OG-N 3.12Å; S127-E130 PolarHBondContact OG-OE2 3.37Å; E130-K133 PolarHBondContact O-N 3.47Å; E130-Y134 WeakPolarHBondContact O-CB 3.35Å; E130-Y134 PolarHBondContact O-N 3.04Å |
| 131 | I | 93.1 | Very high | 89.6 | Confident | 96 Ų | 96 | 102.7 Ų | 102.7 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.4 | -46.8 | 175.9 | -63.7 | 170.1 | 0 | 0 | 0 | 110.1 | I126 S127 S128 Y134 A135 | I126-I131 HydrophobicContact CB-CD1 4.43Å; I126-I131 HydrophobicContact CB-CG1 4.42Å; I126-I131 HydrophobicContact CG2-CD1 4.43Å; I126-I131 HydrophobicContact CG2-CG1 3.9Å; S127-I131 WeakPolarHBondContact O-CG1 3.37Å; S127-I131 PolarHBondContact O-N 3.38Å; S127-I131 VanDerWaalsContact O-N 3.12Å; S128-I131 PolarHBondContact O-N 3.02Å; I131-Y134 PolarHBondContact O-N 3.15Å; I131-A135 VanDerWaalsContact O-CB 3.23Å; I131-A135 WeakPolarHBondContact O-CB 3.28Å; I131-A135 PolarHBondContact O-N 3.39Å |
| 132 | I | 94.4 | Very high | 88.3 | Confident | 118 Ų | 118 | 103.2 Ų | 103.2 | 61% | 0.605 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63 | -46.9 | 178.1 | -69.8 | 161.3 | 0 | 0 | 0 | 111.1 | S128 E129 Y134 A135 H136 | S128-I132 WeakPolarHBondContact O-CB 3.2Å; S128-I132 WeakPolarHBondContact O-CD1 3.38Å; S128-I132 WeakPolarHBondContact O-CG1 3.46Å; S128-I132 PolarHBondContact O-N 3.12Å; E129-I132 PolarHBondContact O-N 2.91Å; I132-Y134 VanDerWaalsContact C-N 3.35Å; I132-Y134 PolarHBondContact O-N 3.49Å; I132-A135 PolarHBondContact O-N 3.46Å; I132-H136 WeakPolarHBondContact O-CB 3.5Å; I132-H136 PolarHBondContact O-N 3.39Å |
| 133 | K | 94.2 | Very high | 87.1 | Confident | 116 Ų | 116 | 97.4 Ų | 97.4 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.2 | -75.7 | 171.1 | -178.3 | 168 | 0 | 111.9 | E129 E130 R137 | E129-K133 VanDerWaalsContact CD-NZ 3.33Å; E129-K133 HydrophobicContact CG-CD 4.26Å; E129-K133 WeakPolarHBondContact O-CB 3.47Å; E129-K133 VanDerWaalsContact O-CG 3.28Å; E129-K133 WeakPolarHBondContact O-CG 3.38Å; E129-K133 PolarHBondContact O-N 3.41Å; E129-K133 WeakPolarHBondContact OE1-CE 3.28Å; E129-K133 IonicContact OE1-NZ 3.6Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å; E130-K133 PolarHBondContact O-N 3.47Å; K133-R137 WeakPolarHBondContact O-CG 3.48Å; K133-R137 PolarHBondContact O-N 2.85Å |
| 134 | Y | 92.2 | Very high | 85.9 | Confident | 145 Ų | 145 | 94 Ų | 94 | 57% | 0.569 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.2 | -42.7 | -179.6 | -168.4 | -110.3 | 0 | 0 | 0 | 111.8 | E130 I131 I132 H136 R137 I138 | E130-Y134 WeakPolarHBondContact O-CB 3.35Å; E130-Y134 PolarHBondContact O-N 3.04Å; I131-Y134 PolarHBondContact O-N 3.15Å; I132-Y134 VanDerWaalsContact C-N 3.35Å; I132-Y134 PolarHBondContact O-N 3.49Å; Y134-H136 PolarHBondContact O-N 2.84Å; Y134-R137 WeakPolarHBondContact O-CB 3.49Å; Y134-R137 PolarHBondContact O-N 3.36Å; Y134-I138 HydrophobicContact CD1-CD1 3.72Å; Y134-I138 HydrophobicContact CE1-CD1 3.31Å; Y134-I138 HydrophobicContact CE1-CG1 4.25Å; Y134-I138 WeakPolarHBondContact O-CB 3.23Å; Y134-I138 WeakPolarHBondContact O-CG1 3.22Å; Y134-I138 PolarHBondContact O-N 3.37Å |
| 135 | A | 92.1 | Very high | 85.2 | Confident | 48 Ų | 48 | 95.5 Ų | 95.5 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I131 I132 R137 I138 S139 | I131-A135 VanDerWaalsContact O-CB 3.23Å; I131-A135 WeakPolarHBondContact O-CB 3.28Å; I131-A135 PolarHBondContact O-N 3.39Å; I132-A135 PolarHBondContact O-N 3.46Å; A135-R137 PolarHBondContact O-N 2.88Å; A135-I138 WeakPolarHBondContact O-CB 3.39Å; A135-I138 PolarHBondContact O-N 2.88Å; A135-S139 PolarHBondContact O-N 3.19Å; A135-S139 PolarHBondContact O-OG 3.13Å |
| 136 | H | 91.4 | Very high | 84.4 | Confident | 134 Ų | 134 | 93.2 Ų | 93.2 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 175.9 | 179.8 | -83.7 | 0 | 0 | 0 | 112.3 | I132 Y134 I138 S139 A140 | I132-H136 WeakPolarHBondContact O-CB 3.5Å; I132-H136 PolarHBondContact O-N 3.39Å; Y134-H136 PolarHBondContact O-N 2.84Å; H136-I138 PolarHBondContact O-N 3.49Å; H136-S139 PolarHBondContact O-N 2.95Å; H136-A140 VanDerWaalsContact O-CB 3.28Å; H136-A140 WeakPolarHBondContact O-CB 3.5Å; H136-A140 PolarHBondContact O-N 3.42Å |
| 137 | R | 88.4 | Confident | 83.7 | Confident | 166 Ų | 166 | 89.4 Ų | 89.4 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.4 | -47.4 | 174.3 | -76 | 174.2 | 63 | -167 | -2.3 | 111.5 | K133 Y134 A135 S139 A140 S141 | K133-R137 WeakPolarHBondContact O-CG 3.48Å; K133-R137 PolarHBondContact O-N 2.85Å; Y134-R137 WeakPolarHBondContact O-CB 3.49Å; Y134-R137 PolarHBondContact O-N 3.36Å; A135-R137 PolarHBondContact O-N 2.88Å; R137-S139 PolarHBondContact O-N 2.99Å; R137-A140 PolarHBondContact O-N 3.27Å; R137-S141 WeakPolarHBondContact O-CB 3.46Å; R137-S141 PolarHBondContact O-N 3.17Å; R137-S141 PolarHBondContact O-OG 3.5Å; R137-S141 VanDerWaalsContact O-OG 3.13Å |
| 138 | I | 85.7 | Confident | 83 | Confident | 61 Ų | 61 | 96.4 Ų | 96.4 | 31% | 0.313 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 178 | -78.6 | -179.9 | 0 | 0 | 0 | 111.4 | Y134 A135 H136 V144 | Y134-I138 HydrophobicContact CD1-CD1 3.72Å; Y134-I138 HydrophobicContact CE1-CD1 3.31Å; Y134-I138 HydrophobicContact CE1-CG1 4.25Å; Y134-I138 WeakPolarHBondContact O-CB 3.23Å; Y134-I138 WeakPolarHBondContact O-CG1 3.22Å; Y134-I138 PolarHBondContact O-N 3.37Å; A135-I138 WeakPolarHBondContact O-CB 3.39Å; A135-I138 PolarHBondContact O-N 2.88Å; H136-I138 PolarHBondContact O-N 3.49Å; I138-V144 HydrophobicContact CG2-CG2 3.14Å |
| 139 | S | 83.7 | Confident | 82.6 | Confident | 86 Ų | 86 | 97.3 Ų | 97.3 | 60% | 0.601 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 177.2 | -61 | 0 | 0 | 0 | 0 | 112.8 | A135 H136 R137 | A135-S139 PolarHBondContact O-N 3.19Å; A135-S139 PolarHBondContact O-OG 3.13Å; H136-S139 PolarHBondContact O-N 2.95Å; R137-S139 PolarHBondContact O-N 2.99Å |
| 140 | A | 80.9 | Confident | 82.2 | Confident | 64 Ų | 64 | 95 Ų | 95 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.9 | -30.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H136 R137 N142 | H136-A140 VanDerWaalsContact O-CB 3.28Å; H136-A140 WeakPolarHBondContact O-CB 3.5Å; H136-A140 PolarHBondContact O-N 3.42Å; R137-A140 PolarHBondContact O-N 3.27Å; A140-N142 VanDerWaalsContact C-N 3.31Å; A140-N142 PolarHBondContact O-N 3.43Å |
| 141 | S | 74.8 | Confident | 81.6 | Confident | 81 Ų | 81 | 93.8 Ų | 93.8 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.8 | -179.2 | -66 | 0 | 0 | 0 | 0 | 114.9 | R137 A143 | R137-S141 WeakPolarHBondContact O-CB 3.46Å; R137-S141 PolarHBondContact O-N 3.17Å; R137-S141 PolarHBondContact O-OG 3.5Å; R137-S141 VanDerWaalsContact O-OG 3.13Å; S141-A143 PolarHBondContact O-N 2.98Å |
| 142 | N | 66.3 | Low | 80.8 | Confident | 77 Ų | 77 | 93 Ų | 93 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 18.4 | -175.5 | -59.5 | -64.2 | 0 | 0 | 0 | 114.8 | A140 V144 R156 | A140-N142 VanDerWaalsContact C-N 3.31Å; A140-N142 PolarHBondContact O-N 3.43Å; N142-V144 PolarHBondContact O-N 3.41Å; N142-R156 HydrophobicContact CB-CB 4.48Å |
| 143 | A | 65.2 | Low | 79.8 | Confident | 56 Ų | 56 | 89.9 Ų | 89.9 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | trans | -89.4 | 5.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S141 | S141-A143 PolarHBondContact O-N 2.98Š| ||
| 144 | V | 68.1 | Low | 79 | Confident | 99 Ų | 99 | 85.5 Ų | 85.5 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -83.7 | -49.9 | -176.1 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | I138 N142 | I138-V144 HydrophobicContact CG2-CG2 3.14Å; N142-V144 PolarHBondContact O-N 3.41Å |
| 145 | C | 70.8 | Confident | 78.1 | Confident | 87 Ų | 87 | 83.7 Ų | 83.7 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | trans | -157.6 | 152 | -176.7 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 146 | A | 70.9 | Confident | 77.2 | Confident | 45 Ų | 45 | 85.7 Ų | 85.7 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | trans | -67 | 133.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109 | W150 P158 | A146-W150 HydrophobicContact CB-CB 3.9Å; A146-W150 HydrophobicContact CB-CD2 4.29Å; A146-W150 HydrophobicContact CB-CG 4.01Å; A146-P158 HydrophobicContact CB-CG 3.96Å | ||
| 147 | P | 74.4 | Confident | 76.6 | Confident | 35 Ų | 35 | 82.2 Ų | 82.2 | 23% | 0.227 | 48% | 0.482 | C | S | . | . | trans | -50.8 | 149 | 166.1 | -28.5 | 34.4 | 0 | 0 | 0 | 112.2 | N149 W150 R156 | P147-N149 WeakPolarHBondContact CB-OD1 3.36Å; P147-N149 PolarHBondContact O-N 3.35Å; P147-W150 HydrophobicContact CB-CB 4.33Å; P147-W150 WeakPolarHBondContact O-CB 3.46Å; P147-W150 PolarHBondContact O-N 2.67Å; P147-R156 WeakPolarHBondContact CD-O 3.38Å; P147-R156 HydrophobicContact CG-CB 4.14Å | ||
| 148 | L | 79 | Confident | 76.1 | Confident | 197 Ų | 197 | 76.3 Ų | 76.3 | 100% | 1.031 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -20.3 | 176.9 | -75.5 | 164.8 | 0 | 0 | 0 | 113.9 | ||
| 149 | N | 83.6 | Confident | 75.8 | Confident | 109 Ų | 109 | 79.2 Ų | 79.2 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 17 | 176.1 | 74.9 | -28.7 | 0 | 0 | 0 | 113.6 | P147 R156 | P147-N149 WeakPolarHBondContact CB-OD1 3.36Å; P147-N149 PolarHBondContact O-N 3.35Å; N149-R156 PolarHBondContact OD1-NH2 3.39Å |
| 150 | W | 83.3 | Confident | 75.8 | Confident | 64 Ų | 64 | 79.1 Ų | 79.1 | 24% | 0.242 | 47% | 0.47 | C | S | . | . | trans | -67.6 | 135.7 | 178.2 | -177.2 | 84 | 0 | 0 | 0 | 110.9 | A146 P147 D154 R156 R157 Y159 | A146-W150 HydrophobicContact CB-CB 3.9Å; A146-W150 HydrophobicContact CB-CD2 4.29Å; A146-W150 HydrophobicContact CB-CG 4.01Å; P147-W150 HydrophobicContact CB-CB 4.33Å; P147-W150 WeakPolarHBondContact O-CB 3.46Å; P147-W150 PolarHBondContact O-N 2.67Å; W150-D154 HydrophobicContact CG-CB 4.41Å; W150-D154 PolarHBondContact NE1-O 3.11Å; W150-R156 VanDerWaalsContact CD1-O 3.28Å; W150-R157 HydrophobicContact CZ2-CB 4.02Å; W150-Y159 HydrophobicContact CH2-CE1 4.05Å; W150-Y159 VanDerWaalsContact CH2-OH 3.28Å; W150-Y159 WeakPolarHBondContact CH2-OH 3.3Å; W150-Y159 HydrophobicContact CZ2-CE1 4.03Å; W150-Y159 WeakPolarHBondContact CZ2-OH 3.17Å | ||
| 151 | V | 80.9 | Confident | 75.8 | Confident | 85 Ų | 85 | 77.6 Ų | 77.6 | 52% | 0.515 | 46% | 0.455 | S | S | . | . | trans | -133.1 | 156.4 | 177 | -66.7 | 0 | 0 | 0 | 0 | 109.5 | G153 D154 | V151-G153 PolarHBondContact O-N 2.89Å; V151-D154 HydrophobicContact CG2-CB 4.4Å; V151-D154 VanDerWaalsContact O-CB 3.29Å; V151-D154 WeakPolarHBondContact O-CB 3.37Å; V151-D154 PolarHBondContact O-N 3.14Å | ||
| 152 | P | 76.2 | Confident | 76.1 | Confident | 79 Ų | 79 | 77.3 Ų | 77.3 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 127.4 | 168.7 | -26.3 | 35.7 | 0 | 0 | 0 | 110.8 | ||
| 153 | G | 74.6 | Confident | 76.9 | Confident | 53 Ų | 53 | 79.7 Ų | 79.7 | 55% | 0.546 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | -14.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V151 P155 | V151-G153 PolarHBondContact O-N 2.89Å; G153-P155 WeakPolarHBondContact O-CD 3.18Å |
| 154 | D | 75.9 | Confident | 77.9 | Confident | 24 Ų | 24 | 81.5 Ų | 81.5 | 13% | 0.128 | 46% | 0.458 | C | S | . | . | trans | -70.9 | 122.8 | 173.6 | -175 | -20.4 | 0 | 0 | 0 | 110.7 | W150 V151 R156 | W150-D154 HydrophobicContact CG-CB 4.41Å; W150-D154 PolarHBondContact NE1-O 3.11Å; V151-D154 HydrophobicContact CG2-CB 4.4Å; V151-D154 VanDerWaalsContact O-CB 3.29Å; V151-D154 WeakPolarHBondContact O-CB 3.37Å; V151-D154 PolarHBondContact O-N 3.14Å; D154-R156 PolarHBondContact O-N 3Å; D154-R156 VanDerWaalsContact O-N 3.1Å; D154-R156 VanDerWaalsContact OD1-CB 3.3Å; D154-R156 WeakPolarHBondContact OD1-CB 3.29Å; D154-R156 WeakPolarHBondContact OD1-CG 3.38Å; D154-R156 PolarHBondContact OD1-N 2.85Å; D154-R156 IonicContact OD1-NE 2.73Å; D154-R156 PolarHBondContact OD1-NE 3.02Å; D154-R156 VanDerWaalsContact OD1-NE 3.11Å; D154-R156 IonicContact OD2-CZ 2.78Å; D154-R156 VanDerWaalsContact OD2-CZ 3.31Å; D154-R156 IonicContact OD2-NE 2.75Å; D154-R156 PolarHBondContact OD2-NE 3.1Å; D154-R156 VanDerWaalsContact OD2-NE 3.14Å; D154-R156 IonicContact OD2-NH2 3.12Å; D154-R156 PolarHBondContact OD2-NH2 2.72Å | ||
| 155 | P | 74.1 | Confident | 78.7 | Confident | 107 Ų | 107 | 82.4 Ų | 82.4 | 70% | 0.695 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -56.8 | -23.7 | 177.4 | -26.6 | 36 | 0 | 0 | 0 | 114.6 | G153 R157 | G153-P155 WeakPolarHBondContact O-CD 3.18Å; P155-R157 PolarHBondContact O-N 2.87Å |
| 156 | R | 74.2 | Confident | 79.3 | Confident | 90 Ų | 90 | 84.6 Ų | 84.6 | 34% | 0.34 | 45% | 0.453 | S | S | . | . | trans | -82.4 | 45.8 | -178.6 | -53.1 | 171.9 | -61.3 | 152.3 | 9.2 | 112.3 | N142 P147 N149 W150 D154 | N142-R156 HydrophobicContact CB-CB 4.48Å; P147-R156 WeakPolarHBondContact CD-O 3.38Å; P147-R156 HydrophobicContact CG-CB 4.14Å; N149-R156 PolarHBondContact OD1-NH2 3.39Å; W150-R156 VanDerWaalsContact CD1-O 3.28Å; D154-R156 PolarHBondContact O-N 3Å; D154-R156 VanDerWaalsContact O-N 3.1Å; D154-R156 VanDerWaalsContact OD1-CB 3.3Å; D154-R156 WeakPolarHBondContact OD1-CB 3.29Å; D154-R156 WeakPolarHBondContact OD1-CG 3.38Å; D154-R156 PolarHBondContact OD1-N 2.85Å; D154-R156 IonicContact OD1-NE 2.73Å; D154-R156 PolarHBondContact OD1-NE 3.02Å; D154-R156 VanDerWaalsContact OD1-NE 3.11Å; D154-R156 IonicContact OD2-CZ 2.78Å; D154-R156 VanDerWaalsContact OD2-CZ 3.31Å; D154-R156 IonicContact OD2-NE 2.75Å; D154-R156 PolarHBondContact OD2-NE 3.1Å; D154-R156 VanDerWaalsContact OD2-NE 3.14Å; D154-R156 IonicContact OD2-NH2 3.12Å; D154-R156 PolarHBondContact OD2-NH2 2.72Å | ||
| 157 | R | 77.9 | Confident | 79.9 | Confident | 61 Ų | 61 | 85.9 Ų | 85.9 | 23% | 0.23 | 46% | 0.459 | C | S | . | . | trans | -79.9 | 145.4 | 177.6 | 62.7 | 178.2 | -178.4 | -80.1 | -6.9 | 111.4 | W150 P155 Y159 E164 | W150-R157 HydrophobicContact CZ2-CB 4.02Å; P155-R157 PolarHBondContact O-N 2.87Å; R157-Y159 VanDerWaalsContact C-N 3.28Å; R157-Y159 HydrophobicContact CB-CE1 4.28Å; R157-Y159 WeakPolarHBondContact CD-O 3.48Å; R157-Y159 WeakPolarHBondContact CG-O 3.26Å; R157-Y159 PolarHBondContact NE-O 3.09Å; R157-Y159 VanDerWaalsContact NE-O 3.09Å; R157-Y159 PolarHBondContact O-N 2.84Å; R157-E164 IonicContact CZ-OE2 2.65Å; R157-E164 IonicContact NE-OE2 3.31Å; R157-E164 IonicContact NH2-OE1 3.79Å; R157-E164 PolarHBondContact NH2-OE1 2.74Å; R157-E164 IonicContact NH2-OE2 2.6Å; R157-E164 PolarHBondContact NH2-OE2 2.75Å | ||
| 158 | P | 78 | Confident | 80.4 | Confident | 42 Ų | 42 | 85.5 Ų | 85.5 | 27% | 0.273 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -85.9 | 11.8 | 179.7 | 35.4 | -36.6 | 0 | 0 | 0 | 114.3 | A146 | A146-P158 HydrophobicContact CB-CG 3.96Š|
| 159 | Y | 80.1 | Confident | 80.7 | Confident | 123 Ų | 123 | 84 Ų | 84 | 48% | 0.482 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -142.1 | 153.2 | -175.2 | 58.3 | -94.4 | 0 | 0 | 0 | 112.8 | W150 R157 | W150-Y159 HydrophobicContact CH2-CE1 4.05Å; W150-Y159 VanDerWaalsContact CH2-OH 3.28Å; W150-Y159 WeakPolarHBondContact CH2-OH 3.3Å; W150-Y159 HydrophobicContact CZ2-CE1 4.03Å; W150-Y159 WeakPolarHBondContact CZ2-OH 3.17Å; R157-Y159 VanDerWaalsContact C-N 3.28Å; R157-Y159 HydrophobicContact CB-CE1 4.28Å; R157-Y159 WeakPolarHBondContact CD-O 3.48Å; R157-Y159 WeakPolarHBondContact CG-O 3.26Å; R157-Y159 PolarHBondContact NE-O 3.09Å; R157-Y159 VanDerWaalsContact NE-O 3.09Å; R157-Y159 PolarHBondContact O-N 2.84Å |
| 160 | P | 81.8 | Confident | 80.8 | Confident | 83 Ų | 83 | 85.8 Ų | 85.8 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | trans | -63.2 | 144.2 | 175.7 | -21.7 | 34.1 | 0 | 0 | 0 | 113 | M165 | P160-M165 HydrophobicContact CB-CG 3.84Å; P160-M165 HydrophobicContact CB-SD 4.35Å | ||
| 161 | T | 81.3 | Confident | 80.7 | Confident | 33 Ų | 33 | 83.1 Ų | 83.1 | 20% | 0.202 | 45% | 0.452 | C | S | . | . | trans | -74.3 | 157.2 | 166.7 | 46.2 | 0 | 0 | 0 | 0 | 112.1 | L163 E164 M165 | T161-L163 PolarHBondContact O-N 3.25Å; T161-E164 PolarHBondContact N-OE2 3.2Å; T161-E164 PolarHBondContact O-N 3.22Å; T161-E164 VanDerWaalsContact O-N 3.12Å; T161-E164 WeakPolarHBondContact OG1-CB 3.37Å; T161-E164 VanDerWaalsContact OG1-CG 3.26Å; T161-E164 WeakPolarHBondContact OG1-CG 3.23Å; T161-E164 PolarHBondContact OG1-N 2.86Å; T161-E164 PolarHBondContact OG1-OE2 3.29Å; T161-M165 WeakPolarHBondContact O-CG 3.36Å; T161-M165 PolarHBondContact O-N 3.12Å | ||
| 162 | D | 82.6 | Confident | 80.6 | Confident | 74 Ų | 74 | 85.2 Ų | 85.2 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -46.3 | -41.3 | 163.8 | -89 | -3.9 | 0 | 0 | 0 | 113.7 | R166 | D162-R166 WeakPolarHBondContact O-CB 3.45Å; D162-R166 WeakPolarHBondContact O-CG 3.47Å; D162-R166 PolarHBondContact O-N 3.38Å; D162-R166 PolarHBondContact O-NE 3Å; D162-R166 IonicContact OD1-NH2 2.78Å; D162-R166 IonicContact OD2-CZ 2.67Å; D162-R166 IonicContact OD2-NH2 3.14Å; D162-R166 PolarHBondContact OD2-NH2 3.08Å |
| 163 | L | 82.9 | Confident | 80.8 | Confident | 128 Ų | 128 | 88.9 Ų | 88.9 | 67% | 0.67 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.3 | -46.5 | 179.2 | -176.8 | 62.5 | 0 | 0 | 0 | 110.9 | T161 M165 R166 S167 | T161-L163 PolarHBondContact O-N 3.25Å; L163-M165 VanDerWaalsContact C-N 3.34Å; L163-M165 PolarHBondContact O-N 2.83Å; L163-R166 PolarHBondContact O-N 2.91Å; L163-S167 VanDerWaalsContact O-CB 3.23Å; L163-S167 WeakPolarHBondContact O-CB 3.43Å; L163-S167 PolarHBondContact O-N 3.26Å; L163-S167 PolarHBondContact O-OG 3.47Å |
| 164 | E | 84.7 | Confident | 81 | Confident | 94 Ų | 94 | 89.2 Ų | 89.2 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 174.9 | -74 | 158.6 | 158 | 0 | 0 | 111.3 | R157 T161 S167 G168 | R157-E164 IonicContact CZ-OE2 2.65Å; R157-E164 IonicContact NE-OE2 3.31Å; R157-E164 IonicContact NH2-OE1 3.79Å; R157-E164 PolarHBondContact NH2-OE1 2.74Å; R157-E164 IonicContact NH2-OE2 2.6Å; R157-E164 PolarHBondContact NH2-OE2 2.75Å; T161-E164 PolarHBondContact N-OE2 3.2Å; T161-E164 PolarHBondContact O-N 3.22Å; T161-E164 VanDerWaalsContact O-N 3.12Å; T161-E164 WeakPolarHBondContact OG1-CB 3.37Å; T161-E164 VanDerWaalsContact OG1-CG 3.26Å; T161-E164 WeakPolarHBondContact OG1-CG 3.23Å; T161-E164 PolarHBondContact OG1-N 2.86Å; T161-E164 PolarHBondContact OG1-OE2 3.29Å; E164-S167 WeakPolarHBondContact CA-OG 3.28Å; E164-S167 CarbonylContact O-C 3.59Å; E164-S167 PolarHBondContact O-N 2.95Å; E164-S167 PolarHBondContact O-OG 3.13Å; E164-G168 PolarHBondContact O-N 2.82Å |
| 165 | M | 86.1 | Confident | 80.6 | Confident | 118 Ų | 118 | 95 Ų | 95 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 178 | -70.4 | 177.1 | 65 | 0 | 0 | 112.6 | P160 T161 L163 S167 G168 | P160-M165 HydrophobicContact CB-CG 3.84Å; P160-M165 HydrophobicContact CB-SD 4.35Å; T161-M165 WeakPolarHBondContact O-CG 3.36Å; T161-M165 PolarHBondContact O-N 3.12Å; L163-M165 VanDerWaalsContact C-N 3.34Å; L163-M165 PolarHBondContact O-N 2.83Å; M165-S167 VanDerWaalsContact C-N 3.35Å; M165-G168 PolarHBondContact O-N 3.45Å |
| 166 | R | 83.8 | Confident | 80 | Confident | 133 Ų | 133 | 95 Ų | 95 | 50% | 0.502 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 175.1 | -70.3 | 175 | -130.1 | -80.2 | 3.6 | 112.1 | D162 L163 G168 G171 | D162-R166 WeakPolarHBondContact O-CB 3.45Å; D162-R166 WeakPolarHBondContact O-CG 3.47Å; D162-R166 PolarHBondContact O-N 3.38Å; D162-R166 PolarHBondContact O-NE 3Å; D162-R166 IonicContact OD1-NH2 2.78Å; D162-R166 IonicContact OD2-CZ 2.67Å; D162-R166 IonicContact OD2-NH2 3.14Å; D162-R166 PolarHBondContact OD2-NH2 3.08Å; L163-R166 PolarHBondContact O-N 2.91Å; R166-G168 VanDerWaalsContact C-N 3.28Å; R166-G168 PolarHBondContact O-N 3.45Å; R166-G171 WeakPolarHBondContact O-CA 3.29Å |
| 167 | S | 83.3 | Confident | 79.2 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.3 | -12.2 | 175.6 | 77.2 | 0 | 0 | 0 | 0 | 113.9 | L163 E164 M165 H172 | L163-S167 VanDerWaalsContact O-CB 3.23Å; L163-S167 WeakPolarHBondContact O-CB 3.43Å; L163-S167 PolarHBondContact O-N 3.26Å; L163-S167 PolarHBondContact O-OG 3.47Å; E164-S167 WeakPolarHBondContact CA-OG 3.28Å; E164-S167 CarbonylContact O-C 3.59Å; E164-S167 PolarHBondContact O-N 2.95Å; E164-S167 PolarHBondContact O-OG 3.13Å; M165-S167 VanDerWaalsContact C-N 3.35Å; S167-H172 PolarHBondContact O-CE1 3.33Å; S167-H172 PolarHBondContact O-ND1 3.32Å |
| 168 | G | 84.6 | Confident | 78.2 | Confident | 28 Ų | 28 | 98.2 Ų | 98.2 | 29% | 0.289 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -67.4 | 167.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | E164 M165 R166 L170 G171 H172 | E164-G168 PolarHBondContact O-N 2.82Å; M165-G168 PolarHBondContact O-N 3.45Å; R166-G168 VanDerWaalsContact C-N 3.28Å; R166-G168 PolarHBondContact O-N 3.45Å; G168-L170 PolarHBondContact O-N 3.21Å; G168-G171 PolarHBondContact O-N 3.3Å; G168-G171 VanDerWaalsContact O-N 3.13Å; G168-H172 PolarHBondContact O-N 3.24Å; G168-H172 PolarHBondContact O-ND1 3.13Å |
| 169 | M | 84.4 | Confident | 76.8 | Confident | 165 Ų | 165 | 103.6 Ų | 103.6 | 81% | 0.813 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -56.5 | -37.8 | 178 | -63.1 | -162.7 | -59.7 | 0 | 0 | 112.4 | G171 H172 M173 | M169-G171 PolarHBondContact O-N 3.49Å; M169-H172 PolarHBondContact O-N 2.95Å; M169-M173 VanDerWaalsContact O-CG 3.29Å; M169-M173 WeakPolarHBondContact O-CG 3.32Å; M169-M173 PolarHBondContact O-N 2.93Å |
| 170 | L | 85.3 | Confident | 75.3 | Confident | 146 Ų | 146 | 100.7 Ų | 100.7 | 76% | 0.764 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.7 | -38.2 | 179.2 | -173.6 | 61.9 | 0 | 0 | 0 | 112.5 | G168 M173 A174 | G168-L170 PolarHBondContact O-N 3.21Å; L170-M173 PolarHBondContact O-N 3.23Å; L170-A174 WeakPolarHBondContact O-CB 3.2Å; L170-A174 PolarHBondContact O-N 3.44Å; L170-A174 VanDerWaalsContact O-N 3.13Å |
| 171 | G | 82.3 | Confident | 73.6 | Confident | 8 Ų | 8 | 105.1 Ų | 105.1 | 8% | 0.082 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -69.3 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R166 G168 M169 A174 | R166-G171 WeakPolarHBondContact O-CA 3.29Å; G168-G171 PolarHBondContact O-N 3.3Å; G168-G171 VanDerWaalsContact O-N 3.13Å; M169-G171 PolarHBondContact O-N 3.49Å; G171-A174 PolarHBondContact O-N 3.1Å |
| 172 | H | 78.8 | Confident | 72 | Confident | 129 Ų | 129 | 111.6 Ų | 111.6 | 60% | 0.597 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.9 | -46 | 172.4 | -74.3 | 78.8 | 0 | 0 | 0 | 112.1 | S167 G168 M169 A174 N175 | S167-H172 PolarHBondContact O-CE1 3.33Å; S167-H172 PolarHBondContact O-ND1 3.32Å; G168-H172 PolarHBondContact O-N 3.24Å; G168-H172 PolarHBondContact O-ND1 3.13Å; M169-H172 PolarHBondContact O-N 2.95Å; H172-A174 PolarHBondContact O-N 3.1Å; H172-N175 PolarHBondContact O-N 3.3Å; H172-N175 VanDerWaalsContact O-N 3.1Å |
| 173 | M | 80.6 | Confident | 70.2 | Confident | 157 Ų | 157 | 110.9 Ų | 110.9 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.9 | -29.1 | 177.4 | -69.5 | 176.9 | 79.3 | 0 | 0 | 112.7 | M169 L170 N175 | M169-M173 VanDerWaalsContact O-CG 3.29Å; M169-M173 WeakPolarHBondContact O-CG 3.32Å; M169-M173 PolarHBondContact O-N 2.93Å; L170-M173 PolarHBondContact O-N 3.23Å; M173-N175 VanDerWaalsContact C-N 3.28Å; M173-N175 PolarHBondContact O-N 3.12Å |
| 174 | A | 79.5 | Confident | 68.2 | Low | 60 Ų | 60 | 110.1 Ų | 110.1 | 50% | 0.496 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | -2.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L170 G171 H172 L176 | L170-A174 WeakPolarHBondContact O-CB 3.2Å; L170-A174 PolarHBondContact O-N 3.44Å; L170-A174 VanDerWaalsContact O-N 3.13Å; G171-A174 PolarHBondContact O-N 3.1Å; H172-A174 PolarHBondContact O-N 3.1Å; A174-L176 HydrophobicContact CB-CD1 4.07Å; A174-L176 HydrophobicContact CB-CG 4Å; A174-L176 PolarHBondContact O-N 3.44Å; A174-L176 VanDerWaalsContact O-N 3.12Å |
| 175 | N | 66.8 | Low | 66.3 | Low | 146 Ų | 146 | 109.4 Ų | 109.4 | 78% | 0.781 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.8 | 32.8 | -174.7 | -86.5 | -68.7 | 0 | 0 | 0 | 114 | H172 M173 S177 | H172-N175 PolarHBondContact O-N 3.3Å; H172-N175 VanDerWaalsContact O-N 3.1Å; M173-N175 VanDerWaalsContact C-N 3.28Å; M173-N175 PolarHBondContact O-N 3.12Å; N175-S177 PolarHBondContact O-N 3.29Å |
| 176 | L | 62 | Low | 64.6 | Low | 105 Ų | 105 | 109.1 Ų | 109.1 | 55% | 0.55 | 63% | 0.628 | S | S | . | * | trans | -69.4 | 104.9 | 173.2 | -70.6 | 167 | 0 | 0 | 0 | 108.3 | A174 S178 | A174-L176 HydrophobicContact CB-CD1 4.07Å; A174-L176 HydrophobicContact CB-CG 4Å; A174-L176 PolarHBondContact O-N 3.44Å; A174-L176 VanDerWaalsContact O-N 3.12Å; L176-S178 PolarHBondContact O-N 2.91Å; L176-S178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | S | 55.8 | Low | 62.9 | Low | 99 Ų | 99 | 103.7 Ų | 103.7 | 69% | 0.692 | 61% | 0.613 | S | S | * | * | trans | -53.5 | 118 | -177.5 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | N175 N179 | N175-S177 PolarHBondContact O-N 3.29Å; S177-N179 PolarHBondContact O-N 3.35Å; S177-N179 PolarHBondContact OG-N 3Å | ||
| 178 | S | 56.8 | Low | 60.9 | Low | 121 Ų | 121 | 103.6 Ų | 103.6 | 85% | 0.846 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -67.7 | 3.6 | 176.3 | -172.4 | 0 | 0 | 0 | 0 | 113.4 | L176 | L176-S178 PolarHBondContact O-N 2.91Å; L176-S178 VanDerWaalsContact O-N 3.1Å |
| 179 | N | 50.5 | Low | 59 | Low | 154 Ų | 154 | 104 Ų | 104 | 82% | 0.824 | 61% | 0.607 | S | S | * | * | trans | -108.2 | 35.2 | -163.3 | -142.8 | 99.4 | 0 | 0 | 0 | 113.2 | S177 | S177-N179 PolarHBondContact O-N 3.35Å; S177-N179 PolarHBondContact OG-N 3Å | ||
| 180 | G | 46.9 | Very low | 57.1 | Low | 62 Ų | 62 | 102.6 Ų | 102.6 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -137.9 | 113.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 181 | M | 47.8 | Very low | 55.2 | Low | 177 Ų | 177 | 99.9 Ų | 99.9 | 87% | 0.872 | 60% | 0.601 | S | S | * | * | trans | 69.6 | 129.9 | 167.9 | -110.1 | 56.5 | 151.8 | 0 | 0 | 119.3 | G183 | M181-G183 PolarHBondContact O-N 2.87Š| ||
| 182 | N | 46.8 | Very low | 53.5 | Low | 169 Ų | 169 | 102.7 Ų | 102.7 | 90% | 0.904 | 62% | 0.624 | S | S | * | * | trans | -59.5 | 78.3 | 143.6 | -73.7 | -33 | 0 | 0 | 0 | 108.5 | H184 | N182-H184 PolarHBondContact O-N 2.81Š| ||
| 183 | G | 43.7 | Very low | 51.8 | Low | 59 Ų | 59 | 100 Ų | 100 | 61% | 0.608 | 63% | 0.631 | S | S | * | * | trans | -75.4 | 71.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M181 L185 | M181-G183 PolarHBondContact O-N 2.87Å; G183-L185 PolarHBondContact O-N 2.78Å | ||
| 184 | H | 42.8 | Very low | 49.8 | Very low | 111 Ų | 111 | 103.1 Ų | 103.1 | 51% | 0.514 | 63% | 0.634 | S | S | . | * | trans | -51.4 | 106.1 | 167.2 | -169 | 62.2 | 0 | 0 | 0 | 108.8 | N182 D188 A189 | N182-H184 PolarHBondContact O-N 2.81Å; H184-D188 VanDerWaalsContact CE1-CB 3.49Å; H184-D188 WeakPolarHBondContact CE1-CB 3.28Å; H184-D188 PolarHBondContact CE1-O 3.18Å; H184-D188 VanDerWaalsContact CE1-O 3.3Å; H184-D188 VanDerWaalsContact ND1-CB 3.28Å; H184-D188 WeakPolarHBondContact ND1-CB 3.49Å; H184-A189 PolarHBondContact CE1-N 3.26Å; H184-A189 VanDerWaalsContact CE1-N 3.32Å; H184-A189 WeakPolarHBondContact NE2-CA 3.46Å; H184-A189 WeakPolarHBondContact NE2-CB 3.13Å; H184-A189 PolarHBondContact NE2-N 3.26Å | ||
| 185 | L | 44.9 | Very low | 47.7 | Very low | 79 Ų | 79 | 108.2 Ų | 108.2 | 41% | 0.414 | 65% | 0.652 | S | S | . | * | trans | -62.5 | 149.1 | 175.7 | -69.7 | 170.9 | 0 | 0 | 0 | 108.4 | G183 G187 D188 | G183-L185 PolarHBondContact O-N 2.78Å; L185-G187 PolarHBondContact O-N 3.47Å; L185-D188 PolarHBondContact O-N 3.07Å | ||
| 186 | P | 48.3 | Very low | 46.3 | Very low | 113 Ų | 113 | 107 Ų | 107 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -15.4 | -177.8 | -26.5 | 35.6 | 0 | 0 | 0 | 115.1 | ||
| 187 | G | 48.3 | Very low | 45.4 | Very low | 18 Ų | 18 | 109.2 Ų | 109.2 | 19% | 0.186 | 67% | 0.665 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | -33.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | L185 A189 L190 | L185-G187 PolarHBondContact O-N 3.47Å; G187-A189 PolarHBondContact O-N 2.99Å; G187-L190 PolarHBondContact O-N 3.03Å |
| 188 | D | 42.8 | Very low | 44.9 | Very low | 69 Ų | 69 | 110 Ų | 110 | 37% | 0.369 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -72.1 | -21.5 | -178.2 | -75.8 | -14.3 | 0 | 0 | 0 | 112.1 | H184 L185 L190 A191 | H184-D188 VanDerWaalsContact CE1-CB 3.49Å; H184-D188 WeakPolarHBondContact CE1-CB 3.28Å; H184-D188 PolarHBondContact CE1-O 3.18Å; H184-D188 VanDerWaalsContact CE1-O 3.3Å; H184-D188 VanDerWaalsContact ND1-CB 3.28Å; H184-D188 WeakPolarHBondContact ND1-CB 3.49Å; L185-D188 PolarHBondContact O-N 3.07Å; D188-L190 VanDerWaalsContact C-N 3.26Å; D188-L190 PolarHBondContact O-N 3.43Å; D188-A191 PolarHBondContact O-N 3.32Å |
| 189 | A | 43.9 | Very low | 44 | Very low | 36 Ų | 36 | 112 Ų | 112 | 30% | 0.298 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -64.2 | -32.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H184 G187 A191 A192 | H184-A189 PolarHBondContact CE1-N 3.26Å; H184-A189 VanDerWaalsContact CE1-N 3.32Å; H184-A189 WeakPolarHBondContact NE2-CA 3.46Å; H184-A189 WeakPolarHBondContact NE2-CB 3.13Å; H184-A189 PolarHBondContact NE2-N 3.26Å; G187-A189 PolarHBondContact O-N 2.99Å; A189-A191 VanDerWaalsContact C-N 3.27Å; A189-A191 PolarHBondContact O-N 3.3Å; A189-A192 PolarHBondContact O-N 3.41Å |
| 190 | L | 44.1 | Very low | 43.7 | Very low | 137 Ų | 137 | 110.8 Ų | 110.8 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.9 | -27.6 | 179.3 | -55.8 | 177.8 | 0 | 0 | 0 | 111.6 | G187 D188 A192 | G187-L190 PolarHBondContact O-N 3.03Å; D188-L190 VanDerWaalsContact C-N 3.26Å; D188-L190 PolarHBondContact O-N 3.43Å; L190-A192 VanDerWaalsContact C-N 3.32Å |
| 191 | A | 46.5 | Very low | 43.5 | Very low | 89 Ų | 89 | 112 Ų | 112 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.2 | -17.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D188 A189 | D188-A191 PolarHBondContact O-N 3.32Å; A189-A191 VanDerWaalsContact C-N 3.27Å; A189-A191 PolarHBondContact O-N 3.3Å |
| 192 | A | 45.1 | Very low | 43 | Very low | 66 Ų | 66 | 109.8 Ų | 109.8 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | 2.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A189 L190 R194 | A189-A192 PolarHBondContact O-N 3.41Å; L190-A192 VanDerWaalsContact C-N 3.32Å; A192-R194 PolarHBondContact O-N 3.27Å; A192-R194 VanDerWaalsContact O-N 3.07Å |
| 193 | G | 43 | Very low | 43.3 | Very low | 73 Ų | 73 | 109.1 Ų | 109.1 | 75% | 0.753 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.8 | 10.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 194 | R | 39 | Very low | 43.3 | Very low | 222 Ų | 222 | 111.9 Ų | 111.9 | 84% | 0.838 | 64% | 0.641 | S | S | * | * | trans | -103.4 | 104.4 | 174.6 | -81.6 | -166.6 | 171.7 | -139.1 | 0.3 | 110.9 | A192 P196 | A192-R194 PolarHBondContact O-N 3.27Å; A192-R194 VanDerWaalsContact O-N 3.07Å; R194-P196 WeakPolarHBondContact O-CD 3.47Å | ||
| 195 | L | 36 | Very low | 43.7 | Very low | 168 Ų | 168 | 118 Ų | 118 | 88% | 0.88 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 135.7 | 161.9 | -62 | 174.8 | 0 | 0 | 0 | 110 | ||
| 196 | P | 37.6 | Very low | 43.6 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 140.7 | 132.8 | 14.2 | 3.1 | 0 | 0 | 0 | 109.2 | R194 | R194-P196 WeakPolarHBondContact O-CD 3.47Š|
| 197 | D | 41.7 | Very low | 43.1 | Very low | 153 Ų | 153 | 121.2 Ų | 121.2 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 146.6 | 176.9 | -147.1 | -15.6 | 0 | 0 | 0 | 110.9 | ||
| 198 | V | 45.8 | Very low | 42.8 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 70% | 0.697 | 70% | 0.698 | S | S | * | * | trans | 53.2 | 105 | 172.5 | -172.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 199 | L | 39 | Very low | 43 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 86% | 0.859 | 72% | 0.717 | S | S | * | * | -176.7 | 123.9 | 120.8 | -95.5 | 179.3 | 0 | 0 | 0 | 109.8 | |||||
| 200 | T | 43.6 | Very low | 42.6 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -64.4 | 136.4 | 179.7 | -44.4 | 0 | 0 | 0 | 0 | 111.3 | H202 | T200-H202 PolarHBondContact O-N 2.9Š| ||
| 201 | P | 42.5 | Very low | 42.3 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 57% | 0.571 | 75% | 0.746 | S | S | * | * | trans | -68.2 | 103.8 | 176.6 | -17.2 | 30.7 | 0 | 0 | 0 | 111.4 | Y203 | P201-Y203 HydrophobicContact CB-CE2 4.25Å; P201-Y203 WeakPolarHBondContact O-CD2 3.44Å; P201-Y203 PolarHBondContact O-N 2.89Å | ||
| 202 | H | 37.2 | Very low | 41.6 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 60% | 0.602 | 75% | 0.754 | S | S | * | * | trans | -78.2 | 105.4 | 173.9 | -169.6 | -61 | 0 | 0 | 0 | 109.9 | T200 Q206 | T200-H202 PolarHBondContact O-N 2.9Å; H202-Q206 PolarHBondContact CE1-O 3.02Å | ||
| 203 | Y | 52.3 | Low | 41 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | trans | -74.1 | 144.9 | 173.9 | -66.7 | -82.6 | 0 | 0 | 0 | 110.8 | P201 W205 Q206 | P201-Y203 HydrophobicContact CB-CE2 4.25Å; P201-Y203 WeakPolarHBondContact O-CD2 3.44Å; P201-Y203 PolarHBondContact O-N 2.89Å; Y203-W205 PolarHBondContact O-N 3.46Å; Y203-Q206 PolarHBondContact O-N 3.35Å | ||
| 204 | P | 45.3 | Very low | 40.4 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -4.6 | -176.1 | -26.6 | 35.8 | 0 | 0 | 0 | 117 | ||
| 205 | W | 49.7 | Very low | 40.3 | Very low | 240 Ų | 240 | 137.5 Ų | 137.5 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 2.3 | -173.4 | -52.3 | 98.9 | 0 | 0 | 0 | 114 | Y203 | Y203-W205 PolarHBondContact O-N 3.46Š|
| 206 | Q | 42.8 | Very low | 40.7 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 131.8 | 175.6 | -72.3 | -164.5 | -47.6 | 0 | 0 | 111.9 | H202 Y203 | H202-Q206 PolarHBondContact CE1-O 3.02Å; Y203-Q206 PolarHBondContact O-N 3.35Å |
| 207 | P | 39.2 | Very low | 41 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 145.2 | 171.1 | 34.2 | -32.7 | 0 | 0 | 0 | 111.4 | ||
| 208 | S | 40.8 | Very low | 40.5 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 120.6 | -172.1 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 209 | D | 47.8 | Very low | 40 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 29.1 | 136.5 | 151.6 | -58.5 | -25.6 | 0 | 0 | 0 | 123.1 | ||||
| 210 | V | 36 | Very low | 39.6 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | -147.6 | 154.8 | 121.5 | -81.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 211 | S | 36.3 | Very low | 39.1 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -123.6 | 167.7 | -155.5 | -47.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 212 | V | 33.4 | Very low | 38.5 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | 80.9 | 117.6 | 153.3 | 175.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 213 | G | 31 | Very low | 38.2 | Very low | 68 Ų | 68 | 142.9 Ų | 142.9 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | 127.2 | 105.1 | 118.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 214 | M | 32.2 | Very low | 37.2 | Very low | 184 Ų | 184 | 139 Ų | 139 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -168.5 | 151.2 | 130.1 | -163.9 | 54.7 | 85.9 | 0 | 0 | 111.5 | ||||
| 215 | L | 35.8 | Very low | 36.8 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -87 | 156.9 | 179.4 | -68.5 | 161.6 | 0 | 0 | 0 | 113.1 | ||||
| 216 | P | 43.7 | Very low | 36 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -97.1 | 161.1 | 173.7 | 38.3 | -33.9 | 0 | 0 | 0 | 113.1 | ||||
| 217 | P | 44.5 | Very low | 36.5 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -129.6 | 143.8 | 155.5 | 35.5 | -22.6 | 0 | 0 | 0 | 115.5 | ||||
| 218 | H | 31.3 | Very low | 36.7 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | 75.2 | 112.5 | 152.4 | -93.3 | -78.8 | 0 | 0 | 0 | 122.8 | ||||
| 219 | H | 35.3 | Very low | 36.3 | Very low | 192 Ų | 192 | 134.2 Ų | 134.2 | 89% | 0.889 | 80% | 0.797 | S | S | * | * | trans | -78.3 | 150.6 | 145 | -76.9 | -85.2 | 0 | 0 | 0 | 111.1 | ||||
| 220 | G | 31.1 | Very low | 35.7 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -151.3 | 129.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 221 | N | 33 | Very low | 35.5 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -108.3 | 136.3 | -169.2 | -158.5 | 76 | 0 | 0 | 0 | 109.2 | ||||
| 222 | D | 29.1 | Very low | 35.7 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -152.9 | 156.2 | 152.2 | -152.6 | 9.5 | 0 | 0 | 0 | 113.6 | ||||
| 223 | F | 32.5 | Very low | 36 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | trans | -96.8 | 152.1 | -169.4 | -110.4 | -114.1 | 0 | 0 | 0 | 112.7 | ||||
| 224 | G | 30.8 | Very low | 36.4 | Very low | 75 Ų | 75 | 143.7 Ų | 143.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -162.7 | 121.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 225 | L | 37.1 | Very low | 36.8 | Very low | 148 Ų | 148 | 143 Ų | 143 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -128.6 | 151.6 | 178.8 | -65.4 | 173.1 | 0 | 0 | 0 | 107.9 | ||||
| 226 | E | 32.8 | Very low | 37.3 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | cis | -148.4 | -165.2 | 3.8 | -126.7 | -159.4 | 82.1 | 0 | 0 | 108.7 | ||||
| 227 | P | 52.8 | Low | 37.5 | Very low | 99 Ų | 99 | 145 Ų | 145 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | -93.7 | -171 | -163.8 | 42.9 | -39.3 | 0 | 0 | 0 | 113.5 | ||||
| 228 | P | 42.9 | Very low | 37.9 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | -144.2 | 162.7 | 88.2 | 37.6 | -21 | 0 | 0 | 0 | 114.8 | |||||
| 229 | G | 33.8 | Very low | 38.5 | Very low | 65 Ų | 65 | 146.7 Ų | 146.7 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | -110.7 | 162.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 230 | H | 33.6 | Very low | 39.2 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -171.9 | 155.2 | 166.4 | -101.5 | 24.5 | 0 | 0 | 0 | 106.6 | ||||
| 231 | N | 32.8 | Very low | 39.7 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 64% | 0.642 | 80% | 0.796 | S | S | * | * | cis | -169.5 | 141.5 | -23.5 | -169 | 10.3 | 0 | 0 | 0 | 106.2 | ||||
| 232 | K | 40.7 | Very low | 40.3 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 63.5 | -177 | 158.7 | -124 | 169.7 | -179.7 | -179.7 | 0 | 118.8 | ||||
| 233 | E | 38.4 | Very low | 41.4 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 47.7 | 92 | 168.7 | 53.3 | -138 | 86.5 | 0 | 0 | 119.2 | ||||
| 234 | N | 40.2 | Very low | 42.4 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -122.6 | 65.5 | 156.9 | -165 | 105.4 | 0 | 0 | 0 | 108.8 | ||||
| 235 | E | 41.4 | Very low | 43.1 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -98.4 | 150.2 | 163.5 | -74.1 | -178.8 | 142.4 | 0 | 0 | 108.9 | ||||
| 236 | D | 46.2 | Very low | 43.2 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | 52 | 87.1 | 165.7 | -58.1 | -25.8 | 0 | 0 | 0 | 118.6 | ||||
| 237 | D | 47.9 | Very low | 43.8 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -139.5 | 92.9 | 160.8 | -154.7 | 5.4 | 0 | 0 | 0 | 110.6 | ||||
| 238 | V | 52.6 | Low | 43.3 | Very low | 148 Ų | 148 | 141 Ų | 141 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -178.1 | 65.7 | 143.4 | -87.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 239 | E | 44.7 | Very low | 43.7 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -90.6 | 144.5 | 159.5 | -84.9 | -157.5 | 149.8 | 0 | 0 | 111.7 | ||||
| 240 | A | 48.3 | Very low | 44.4 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | trans | 51 | 99 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 241 | M | 42.5 | Very low | 45.2 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -125.8 | 83.7 | 144.4 | -77.8 | -70 | 154.7 | 0 | 0 | 109.7 | ||||
| 242 | S | 45.6 | Very low | 46.2 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -79.3 | 118.9 | 162.5 | -66.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 243 | T | 52.8 | Low | 46.7 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 79% | 0.785 | 85% | 0.847 | S | S | * | * | trans | -102.4 | 110.4 | 160.6 | 54.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 244 | D | 52.5 | Low | 47.1 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 85% | 0.851 | S | S | * | * | trans | -63.5 | 143.3 | 167 | 56.8 | -51.4 | 0 | 0 | 0 | 111.5 | ||||
| 245 | S | 45.6 | Very low | 47.4 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 85% | 0.846 | 85% | 0.85 | S | S | * | * | trans | -156.2 | 86.6 | 164.2 | -80 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 246 | S | 39.4 | Very low | 47.8 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 85% | 0.853 | S | S | * | * | trans | -68.6 | 142.2 | 171.9 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 247 | S | 45.4 | Very low | 47.9 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 87% | 0.874 | 85% | 0.852 | S | S | * | * | trans | -145.4 | 106.1 | 159.4 | -77.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 248 | S | 42 | Very low | 47.9 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 84% | 0.839 | 85% | 0.854 | S | S | * | * | trans | -77.2 | 141 | 174.5 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 249 | S | 50.9 | Low | 47.6 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 85% | 0.851 | S | S | * | * | trans | -138.4 | 120 | 151.3 | 42.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 250 | S | 49.1 | Very low | 47.8 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | trans | -82.4 | 139.2 | 173.3 | -53.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 251 | D | 50.4 | Low | 47.7 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 87% | 0.872 | 86% | 0.861 | S | S | * | * | trans | -127.7 | 117.4 | 161.7 | -92.5 | -51.2 | 0 | 0 | 0 | 108.7 | ||||
| 252 | S | 54.5 | Low | 48.1 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | trans | -149.2 | 99.7 | 172 | -73 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 253 | D | 49.6 | Very low | 48.4 | Very low | 248 Ų | 248 | 136.3 Ų | 136.3 | 100% | 1.326 | 86% | 0.861 | S | S | * | * | trans | -161.9 | 0 | 144.4 | -109.5 | -21 | 0 | 0 | 0 | 108.7 |
Retrieved 253 of 253 residues in 174.4 ms
(Link to these results)