| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.2 | Very low | 62.3 | Low | 239 Ų | 239 | 152.7 Ų | 152.7 | 100% | 1.177 | 78% | 0.781 | S | S | * | * | 0 | 123.4 | 0 | -62.8 | -160.6 | 80 | 0 | 0 | 107.1 | |||||
| 2 | L | 39.8 | Very low | 64.2 | Low | 162 Ų | 162 | 153.7 Ų | 153.7 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 147.3 | -177.4 | -75.6 | 79.5 | 0 | 0 | 0 | 111.1 | ||
| 3 | P | 50.2 | Low | 65.7 | Low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 137.8 | 165.6 | 29.2 | -33.1 | 0 | 0 | 0 | 109.3 | ||
| 4 | K | 49.9 | Very low | 66.3 | Low | 195 Ų | 195 | 143.5 Ų | 143.5 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 140.4 | 176.3 | -70 | 163.3 | 179.7 | 167.4 | 0 | 109 | R6 | K4-R6 PolarHBondContact O-N 2.95Š|
| 5 | S | 49.3 | Very low | 67 | Low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 136.6 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | R7 | S5-R7 VanDerWaalsContact C-N 3.31Å; S5-R7 PolarHBondContact O-N 3.07Å |
| 6 | R | 63.3 | Low | 67.3 | Low | 247 Ų | 247 | 130.4 Ų | 130.4 | 93% | 0.932 | 68% | 0.675 | S | S | * | * | trans | -73.6 | 89.5 | 179 | -70.5 | -177.6 | -176.8 | -102.5 | 4.2 | 108.5 | K4 A8 | K4-R6 PolarHBondContact O-N 2.95Å; R6-A8 PolarHBondContact O-N 3.3Å | ||
| 7 | R | 73.9 | Confident | 67.5 | Low | 191 Ų | 191 | 128.8 Ų | 128.8 | 72% | 0.721 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 129.2 | 166.3 | -169.1 | -174.6 | -53.9 | 100.9 | 5.9 | 108.1 | S5 L9 | S5-R7 VanDerWaalsContact C-N 3.31Å; S5-R7 PolarHBondContact O-N 3.07Å; R7-L9 PolarHBondContact O-N 3.4Å; R7-L9 VanDerWaalsContact O-N 3.16Å |
| 8 | A | 74.9 | Confident | 67.3 | Low | 90 Ų | 90 | 125.7 Ų | 125.7 | 74% | 0.744 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 123.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109 | R6 T10 | R6-A8 PolarHBondContact O-N 3.3Å; A8-T10 PolarHBondContact O-N 3Å |
| 9 | L | 78.1 | Confident | 67.2 | Low | 96 Ų | 96 | 127.9 Ų | 127.9 | 50% | 0.503 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 125.1 | -178 | -62 | 178.3 | 0 | 0 | 0 | 108.6 | R7 E13 I14 L17 | R7-L9 PolarHBondContact O-N 3.4Å; R7-L9 VanDerWaalsContact O-N 3.16Å; L9-E13 HydrophobicContact CB-CB 4.22Å; L9-E13 HydrophobicContact CD2-CB 4.28Å; L9-I14 HydrophobicContact CB-CD1 4.24Å; L9-I14 HydrophobicContact CB-CG1 3.62Å; L9-I14 HydrophobicContact CD1-CG1 4.39Å; L9-I14 WeakPolarHBondContact O-CD1 3.45Å; L9-L17 HydrophobicContact CD1-CD2 4.3Å |
| 10 | T | 83 | Confident | 66.7 | Low | 73 Ų | 73 | 125.2 Ų | 125.2 | 45% | 0.448 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 156.8 | 171 | 59.8 | 0 | 0 | 0 | 0 | 110.3 | A8 Q12 E13 I14 | A8-T10 PolarHBondContact O-N 3Å; T10-Q12 PolarHBondContact O-N 3.26Å; T10-Q12 VanDerWaalsContact O-N 3.11Å; T10-E13 WeakPolarHBondContact CB-OE2 3.42Å; T10-E13 WeakPolarHBondContact CG2-OE2 3.32Å; T10-E13 PolarHBondContact N-OE2 2.73Å; T10-E13 WeakPolarHBondContact O-CA 3.31Å; T10-E13 PolarHBondContact O-N 3.28Å; T10-E13 VanDerWaalsContact OG1-CG 3.3Å; T10-E13 WeakPolarHBondContact OG1-CG 3.31Å; T10-E13 PolarHBondContact OG1-N 2.79Å; T10-E13 PolarHBondContact OG1-OE2 3.5Å; T10-I14 WeakPolarHBondContact O-CG1 3.26Å; T10-I14 PolarHBondContact O-N 3.41Å |
| 11 | I | 79.8 | Confident | 66.2 | Low | 149 Ų | 149 | 122.8 Ų | 122.8 | 76% | 0.764 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -54.6 | -34.6 | 176.7 | -61.8 | 170.5 | 0 | 0 | 0 | 110.9 | A15 | I11-A15 VanDerWaalsContact O-CB 3.23Å; I11-A15 WeakPolarHBondContact O-CB 3.27Å; I11-A15 PolarHBondContact O-N 3.47Å |
| 12 | Q | 85.4 | Confident | 66.6 | Low | 164 Ų | 164 | 117.8 Ų | 117.8 | 77% | 0.766 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.3 | -38.6 | 175.1 | -68.7 | -174.9 | -30.1 | 0 | 0 | 113.1 | T10 A16 | T10-Q12 PolarHBondContact O-N 3.26Å; T10-Q12 VanDerWaalsContact O-N 3.11Å; Q12-A16 WeakPolarHBondContact O-CB 3.44Å; Q12-A16 PolarHBondContact O-N 3.35Å |
| 13 | E | 82.8 | Confident | 67.1 | Low | 73 Ų | 73 | 118.6 Ų | 118.6 | 34% | 0.341 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.1 | -38.9 | 173.7 | -73 | 163.6 | 127 | 0 | 0 | 112.1 | L9 T10 A16 L17 | L9-E13 HydrophobicContact CB-CB 4.22Å; L9-E13 HydrophobicContact CD2-CB 4.28Å; T10-E13 WeakPolarHBondContact CB-OE2 3.42Å; T10-E13 WeakPolarHBondContact CG2-OE2 3.32Å; T10-E13 PolarHBondContact N-OE2 2.73Å; T10-E13 WeakPolarHBondContact O-CA 3.31Å; T10-E13 PolarHBondContact O-N 3.28Å; T10-E13 VanDerWaalsContact OG1-CG 3.3Å; T10-E13 WeakPolarHBondContact OG1-CG 3.31Å; T10-E13 PolarHBondContact OG1-N 2.79Å; T10-E13 PolarHBondContact OG1-OE2 3.5Å; E13-A16 PolarHBondContact O-N 3.33Å; E13-L17 VanDerWaalsContact O-CB 3.31Å; E13-L17 WeakPolarHBondContact O-CB 3.34Å; E13-L17 PolarHBondContact O-N 3.36Å |
| 14 | I | 74.1 | Confident | 67.2 | Low | 92 Ų | 92 | 115.7 Ų | 115.7 | 47% | 0.472 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.7 | -47 | 173.7 | -63.2 | 170.4 | 0 | 0 | 0 | 110 | L9 T10 A16 L17 A18 | L9-I14 HydrophobicContact CB-CD1 4.24Å; L9-I14 HydrophobicContact CB-CG1 3.62Å; L9-I14 HydrophobicContact CD1-CG1 4.39Å; L9-I14 WeakPolarHBondContact O-CD1 3.45Å; T10-I14 WeakPolarHBondContact O-CG1 3.26Å; T10-I14 PolarHBondContact O-N 3.41Å; I14-A16 VanDerWaalsContact C-N 3.34Å; I14-A16 PolarHBondContact O-N 3.06Å; I14-L17 PolarHBondContact O-N 3.49Å; I14-A18 WeakPolarHBondContact O-CB 3.11Å; I14-A18 PolarHBondContact O-N 3.48Å |
| 15 | A | 76.8 | Confident | 67.5 | Low | 33 Ų | 33 | 110.5 Ų | 110.5 | 27% | 0.273 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.7 | -35.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I11 R19 | I11-A15 VanDerWaalsContact O-CB 3.23Å; I11-A15 WeakPolarHBondContact O-CB 3.27Å; I11-A15 PolarHBondContact O-N 3.47Å; A15-R19 VanDerWaalsContact O-CG 3.31Å; A15-R19 WeakPolarHBondContact O-CG 3.39Å; A15-R19 PolarHBondContact O-N 3.42Å; A15-R19 VanDerWaalsContact O-N 3.12Å; A15-R19 PolarHBondContact O-NE 3.5Å |
| 16 | A | 72.7 | Confident | 67.8 | Low | 44 Ų | 44 | 108.3 Ų | 108.3 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q12 E13 I14 R19 S20 | Q12-A16 WeakPolarHBondContact O-CB 3.44Å; Q12-A16 PolarHBondContact O-N 3.35Å; E13-A16 PolarHBondContact O-N 3.33Å; I14-A16 VanDerWaalsContact C-N 3.34Å; I14-A16 PolarHBondContact O-N 3.06Å; A16-R19 PolarHBondContact O-N 3.01Å; A16-S20 WeakPolarHBondContact O-CB 3.22Å; A16-S20 PolarHBondContact O-N 3.4Å; A16-S20 PolarHBondContact O-OG 2.9Å |
| 17 | L | 70.9 | Confident | 67.3 | Low | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.2 | -44.2 | 177.8 | -175.7 | 64.4 | 0 | 0 | 0 | 111.9 | L9 E13 I14 R19 S20 S21 | L9-L17 HydrophobicContact CD1-CD2 4.3Å; E13-L17 VanDerWaalsContact O-CB 3.31Å; E13-L17 WeakPolarHBondContact O-CB 3.34Å; E13-L17 PolarHBondContact O-N 3.36Å; I14-L17 PolarHBondContact O-N 3.49Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.29Å; L17-S20 WeakPolarHBondContact CA-OG 3.3Å; L17-S20 PolarHBondContact O-N 2.84Å; L17-S20 PolarHBondContact O-OG 3.48Å; L17-S21 PolarHBondContact O-N 3.15Å |
| 18 | A | 64.2 | Low | 66.4 | Low | 72 Ų | 72 | 97.8 Ų | 97.8 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.7 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I14 | I14-A18 WeakPolarHBondContact O-CB 3.11Å; I14-A18 PolarHBondContact O-N 3.48Å |
| 19 | R | 65.5 | Low | 65.6 | Low | 169 Ų | 169 | 97.5 Ų | 97.5 | 64% | 0.638 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.2 | -33.9 | 175.9 | -68.9 | -176 | -56.9 | -109.5 | -0.7 | 113.5 | A15 A16 L17 | A15-R19 VanDerWaalsContact O-CG 3.31Å; A15-R19 WeakPolarHBondContact O-CG 3.39Å; A15-R19 PolarHBondContact O-N 3.42Å; A15-R19 VanDerWaalsContact O-N 3.12Å; A15-R19 PolarHBondContact O-NE 3.5Å; A16-R19 PolarHBondContact O-N 3.01Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.29Å |
| 20 | S | 56.2 | Low | 64.7 | Low | 72 Ų | 72 | 98.4 Ų | 98.4 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.5 | -28.7 | 179.5 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | A16 L17 L22 | A16-S20 WeakPolarHBondContact O-CB 3.22Å; A16-S20 PolarHBondContact O-N 3.4Å; A16-S20 PolarHBondContact O-OG 2.9Å; L17-S20 WeakPolarHBondContact CA-OG 3.3Å; L17-S20 PolarHBondContact O-N 2.84Å; L17-S20 PolarHBondContact O-OG 3.48Å; S20-L22 PolarHBondContact O-N 2.86Å |
| 21 | S | 55.4 | Low | 63.6 | Low | 75 Ų | 75 | 100.4 Ų | 100.4 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.2 | -29.8 | 177.5 | -167.7 | 0 | 0 | 0 | 0 | 113.1 | L17 H23 G24 | L17-S21 PolarHBondContact O-N 3.15Å; S21-H23 PolarHBondContact O-N 3.26Å; S21-H23 VanDerWaalsContact O-N 3.14Å; S21-G24 PolarHBondContact O-N 3.5Å |
| 22 | L | 51.5 | Low | 62.6 | Low | 134 Ų | 134 | 96.9 Ų | 96.9 | 70% | 0.702 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21 | -173.2 | -164.6 | 62.7 | 0 | 0 | 0 | 114.6 | S20 | S20-L22 PolarHBondContact O-N 2.86Š|
| 23 | H | 51.6 | Low | 61.4 | Low | 180 Ų | 180 | 91.6 Ų | 91.6 | 83% | 0.833 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -3.4 | 176.2 | -65.9 | 86.9 | 0 | 0 | 0 | 113.5 | S21 | S21-H23 PolarHBondContact O-N 3.26Å; S21-H23 VanDerWaalsContact O-N 3.14Å |
| 24 | G | 53 | Low | 60.3 | Low | 64 Ų | 64 | 90.1 Ų | 90.1 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S21 S26 | S21-G24 PolarHBondContact O-N 3.5Å; G24-S26 PolarHBondContact O-N 2.95Å |
| 25 | I | 55 | Low | 59.7 | Low | 86 Ų | 86 | 94.6 Ų | 94.6 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | trans | -68.8 | 105.7 | 177.3 | -49.3 | 176.3 | 0 | 0 | 0 | 108.2 | Q27 V29 K30 | I25-Q27 PolarHBondContact O-N 2.9Å; I25-V29 HydrophobicContact CG2-CB 4.15Å; I25-V29 HydrophobicContact CG2-CG1 4.36Å; I25-K30 HydrophobicContact CG2-CB 4.32Å | ||
| 26 | S | 55.2 | Low | 58.8 | Low | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 54% | 0.539 | S | S | . | . | trans | -49.5 | 135 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 110 | G24 V28 V29 K30 | G24-S26 PolarHBondContact O-N 2.95Å; S26-V28 PolarHBondContact O-N 3.08Å; S26-V28 PolarHBondContact OG-N 2.7Å; S26-V29 PolarHBondContact O-N 3.36Å; S26-K30 PolarHBondContact O-N 3.32Å | ||
| 27 | Q | 54.2 | Low | 58.2 | Low | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -50.6 | -30.7 | 178.5 | -174.6 | 74.7 | 10.3 | 0 | 0 | 111.6 | I25 V29 K30 D31 | I25-Q27 PolarHBondContact O-N 2.9Å; Q27-V29 PolarHBondContact O-N 2.93Å; Q27-K30 PolarHBondContact O-N 3.31Å; Q27-D31 PolarHBondContact O-N 2.9Å |
| 28 | V | 54.2 | Low | 57.7 | Low | 103 Ų | 103 | 97.2 Ų | 97.2 | 62% | 0.624 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.5 | -38.6 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 113.2 | S26 H32 | S26-V28 PolarHBondContact O-N 3.08Å; S26-V28 PolarHBondContact OG-N 2.7Å; V28-H32 PolarHBondContact O-CE1 3.36Å; V28-H32 PolarHBondContact O-ND1 2.88Å |
| 29 | V | 58.4 | Low | 57.3 | Low | 83 Ų | 83 | 98.9 Ų | 98.9 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -81.8 | -34.8 | 179.2 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | I25 S26 Q27 D31 H32 V33 | I25-V29 HydrophobicContact CG2-CB 4.15Å; I25-V29 HydrophobicContact CG2-CG1 4.36Å; S26-V29 PolarHBondContact O-N 3.36Å; Q27-V29 PolarHBondContact O-N 2.93Å; V29-D31 PolarHBondContact O-N 3.49Å; V29-H32 PolarHBondContact O-N 2.89Å; V29-V33 PolarHBondContact O-N 3.39Å |
| 30 | K | 58.8 | Low | 56.8 | Low | 115 Ų | 115 | 94.9 Ų | 94.9 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.9 | -32.4 | -179.9 | 176.1 | 176.9 | 158.2 | -165.3 | 0 | 113.5 | I25 S26 Q27 H32 V33 | I25-K30 HydrophobicContact CG2-CB 4.32Å; S26-K30 PolarHBondContact O-N 3.32Å; Q27-K30 PolarHBondContact O-N 3.31Å; K30-H32 VanDerWaalsContact C-N 3.27Å; K30-H32 PolarHBondContact O-N 3.24Å; K30-V33 PolarHBondContact O-N 3.42Å |
| 31 | D | 59.4 | Low | 57.1 | Low | 116 Ų | 116 | 99 Ų | 99 | 62% | 0.62 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -13.6 | 176.2 | -66.1 | -18 | 0 | 0 | 0 | 113.5 | Q27 V29 | Q27-D31 PolarHBondContact O-N 2.9Å; V29-D31 PolarHBondContact O-N 3.49Å |
| 32 | H | 58.6 | Low | 57.5 | Low | 75 Ų | 75 | 99.1 Ų | 99.1 | 35% | 0.347 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102 | -8 | 176.1 | -60.4 | 85.3 | 0 | 0 | 0 | 113.4 | V28 V29 K30 T34 E49 | V28-H32 PolarHBondContact O-CE1 3.36Å; V28-H32 PolarHBondContact O-ND1 2.88Å; V29-H32 PolarHBondContact O-N 2.89Å; K30-H32 VanDerWaalsContact C-N 3.27Å; K30-H32 PolarHBondContact O-N 3.24Å; H32-T34 PolarHBondContact O-N 2.9Å; H32-E49 PolarHBondContact O-N 3.48Å |
| 33 | V | 60.3 | Low | 57.9 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 32% | 0.321 | 57% | 0.568 | S | S | . | * | B | Isolated β-bridge | trans | -78.9 | 112.8 | 167.9 | 177.4 | 0 | 0 | 0 | 0 | 106.6 | V29 K30 | V29-V33 PolarHBondContact O-N 3.39Å; K30-V33 PolarHBondContact O-N 3.42Å |
| 34 | T | 61 | Low | 58.5 | Low | 42 Ų | 42 | 95.8 Ų | 95.8 | 26% | 0.258 | 55% | 0.554 | S | S | . | * | trans | -63.5 | 155.7 | 177.7 | 75.7 | 0 | 0 | 0 | 0 | 109.6 | H32 L47 E49 | H32-T34 PolarHBondContact O-N 2.9Å; T34-L47 WeakPolarHBondContact CB-O 3.44Å; T34-L47 HydrophobicContact CG2-CB 3.93Å; T34-L47 WeakPolarHBondContact CG2-O 3.45Å; T34-L47 PolarHBondContact N-O 3.27Å; T34-L47 VanDerWaalsContact OG1-CB 3.26Å; T34-L47 WeakPolarHBondContact OG1-CB 3.24Å; T34-L47 PolarHBondContact OG1-O 2.92Å; T34-E49 HydrophobicContact CG2-CG 4.33Å | ||
| 35 | K | 61.1 | Low | 59 | Low | 186 Ų | 186 | 94.1 Ų | 94.1 | 81% | 0.809 | 53% | 0.534 | S | S | * | . | trans | -51.9 | 143 | 168.3 | -66.8 | 178.7 | -179 | 175.9 | 0 | 109.3 | T37 | K35-T37 PolarHBondContact O-N 3.12Š| ||
| 36 | P | 58.2 | Low | 59.3 | Low | 81 Ų | 81 | 96.1 Ų | 96.1 | 53% | 0.526 | 54% | 0.541 | S | S | . | . | trans | -54.1 | 115.7 | 178.2 | 19.6 | -31.3 | 0 | 0 | 0 | 109.9 | A38 V44 | P36-A38 PolarHBondContact O-N 3.2Å; P36-V44 HydrophobicContact CB-CG1 3.38Å | ||
| 37 | T | 60 | Low | 59.8 | Low | 68 Ų | 68 | 97.7 Ų | 97.7 | 42% | 0.417 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 105.4 | 175.4 | -56.5 | 0 | 0 | 0 | 0 | 107.1 | K35 M39 A45 | K35-T37 PolarHBondContact O-N 3.12Å; T37-M39 PolarHBondContact O-N 3.32Å; T37-A45 PolarHBondContact N-O 3.37Å; T37-A45 PolarHBondContact O-N 3.45Å; T37-A45 VanDerWaalsContact O-N 3.16Å |
| 38 | A | 60.1 | Low | 60.1 | Low | 86 Ų | 86 | 97.2 Ų | 97.2 | 71% | 0.711 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 118.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | P36 | P36-A38 PolarHBondContact O-N 3.2Å |
| 39 | M | 55 | Low | 60.4 | Low | 107 Ų | 107 | 96.4 Ų | 96.4 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 158.3 | 171.4 | -58.7 | -178.7 | 69.5 | 0 | 0 | 109.5 | T37 R43 A45 | T37-M39 PolarHBondContact O-N 3.32Å; M39-R43 WeakPolarHBondContact CB-O 3.36Å; M39-R43 PolarHBondContact N-O 3.44Å; M39-A45 HydrophobicContact CG-CB 4.49Å; M39-A45 HydrophobicContact SD-CB 3.9Å |
| 40 | A | 56.3 | Low | 60.3 | Low | 85 Ų | 85 | 102.9 Ų | 102.9 | 70% | 0.702 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -57.6 | 150.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 41 | Q | 62.9 | Low | 60.1 | Low | 160 Ų | 160 | 105 Ų | 105 | 75% | 0.748 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 69.9 | 32.6 | -172.7 | -48.3 | 165.8 | -53.2 | 0 | 0 | 115 | R43 | Q41-R43 PolarHBondContact O-N 3.01Š|
| 42 | G | 62.6 | Low | 60.1 | Low | 77 Ų | 77 | 102.6 Ų | 102.6 | 79% | 0.794 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 71.2 | 5.9 | 169 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 43 | R | 61 | Low | 59.7 | Low | 155 Ų | 155 | 110 Ų | 110 | 59% | 0.585 | 59% | 0.585 | S | S | * | * | trans | -81.9 | 122.5 | 178.3 | -69.2 | -175 | -76.2 | 179.5 | -7.5 | 110.2 | M39 Q41 | M39-R43 WeakPolarHBondContact CB-O 3.36Å; M39-R43 PolarHBondContact N-O 3.44Å; Q41-R43 PolarHBondContact O-N 3.01Å | ||
| 44 | V | 62.9 | Low | 59.4 | Low | 88 Ų | 88 | 112.7 Ų | 112.7 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 116 | 174 | 174.3 | 0 | 0 | 0 | 0 | 108.9 | P36 | P36-V44 HydrophobicContact CB-CG1 3.38Å |
| 45 | A | 63.4 | Low | 59.2 | Low | 30 Ų | 30 | 119.1 Ų | 119.1 | 25% | 0.248 | 63% | 0.63 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | T37 M39 | T37-A45 PolarHBondContact N-O 3.37Å; T37-A45 PolarHBondContact O-N 3.45Å; T37-A45 VanDerWaalsContact O-N 3.16Å; M39-A45 HydrophobicContact CG-CB 4.49Å; M39-A45 HydrophobicContact SD-CB 3.9Å |
| 46 | H | 61.6 | Low | 58.9 | Low | 127 Ų | 127 | 115.3 Ų | 115.3 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | trans | -93.5 | 106.4 | 166.7 | -71.2 | -98.5 | 0 | 0 | 0 | 108.3 | ||||
| 47 | L | 65.1 | Low | 58.7 | Low | 101 Ų | 101 | 119.6 Ų | 119.6 | 53% | 0.529 | 64% | 0.639 | S | S | . | * | trans | -75.8 | 128.4 | 164.1 | -96.1 | 65.6 | 0 | 0 | 0 | 107.9 | T34 | T34-L47 WeakPolarHBondContact CB-O 3.44Å; T34-L47 HydrophobicContact CG2-CB 3.93Å; T34-L47 WeakPolarHBondContact CG2-O 3.45Å; T34-L47 PolarHBondContact N-O 3.27Å; T34-L47 VanDerWaalsContact OG1-CB 3.26Å; T34-L47 WeakPolarHBondContact OG1-CB 3.24Å; T34-L47 PolarHBondContact OG1-O 2.92Å | ||
| 48 | I | 62.2 | Low | 58.6 | Low | 103 Ų | 103 | 120.8 Ų | 120.8 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | B | Isolated β-bridge | trans | -100 | 117.3 | 161.9 | -62.9 | 174.9 | 0 | 0 | 0 | 104.8 | W50 | I48-W50 PolarHBondContact O-N 3.42Å; I48-W50 VanDerWaalsContact O-N 3.17Å |
| 49 | E | 60.2 | Low | 58.7 | Low | 86 Ų | 86 | 121 Ų | 121 | 40% | 0.402 | 64% | 0.636 | S | S | . | * | trans | -73 | 108.4 | 172.5 | 47.2 | 166.1 | -159.3 | 0 | 0 | 109 | H32 T34 K51 | H32-E49 PolarHBondContact O-N 3.48Å; T34-E49 HydrophobicContact CG2-CG 4.33Å; E49-K51 PolarHBondContact O-N 2.93Å; E49-K51 IonicContact OE1-NZ 2.73Å | ||
| 50 | W | 55.3 | Low | 59 | Low | 219 Ų | 219 | 120.9 Ų | 120.9 | 83% | 0.83 | 64% | 0.643 | S | S | * | * | trans | -73.2 | 67.9 | 175 | -76.5 | 70.2 | 0 | 0 | 0 | 110.4 | I48 G52 | I48-W50 PolarHBondContact O-N 3.42Å; I48-W50 VanDerWaalsContact O-N 3.17Å; W50-G52 PolarHBondContact O-N 3.22Å | ||
| 51 | K | 55.6 | Low | 59.2 | Low | 161 Ų | 161 | 120.5 Ų | 120.5 | 70% | 0.7 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 63.5 | -177.3 | -158.6 | 174.6 | -169.2 | 167.1 | 0 | 110.7 | E49 | E49-K51 PolarHBondContact O-N 2.93Å; E49-K51 IonicContact OE1-NZ 2.73Å |
| 52 | G | 58.2 | Low | 59 | Low | 64 Ų | 64 | 114.6 Ų | 114.6 | 66% | 0.66 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.6 | -1.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | W50 C54 | W50-G52 PolarHBondContact O-N 3.22Å; G52-C54 PolarHBondContact O-N 3.05Å; G52-C54 VanDerWaalsContact O-N 3.13Å |
| 53 | W | 51.3 | Low | 58.9 | Low | 230 Ų | 230 | 114.9 Ų | 114.9 | 87% | 0.871 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -64.3 | 118 | 164.4 | -146.4 | -74.4 | 0 | 0 | 0 | 107.6 | K55 | W53-K55 PolarHBondContact O-N 3.17Å; W53-K55 VanDerWaalsContact O-N 3.11Å |
| 54 | C | 52.8 | Low | 59 | Low | 111 Ų | 111 | 114 Ų | 114 | 75% | 0.75 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 121.1 | -176 | -69.3 | 0 | 0 | 0 | 0 | 108.6 | G52 | G52-C54 PolarHBondContact O-N 3.05Å; G52-C54 VanDerWaalsContact O-N 3.13Å |
| 55 | K | 56.9 | Low | 59.1 | Low | 176 Ų | 176 | 113.3 Ų | 113.3 | 77% | 0.765 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 138.8 | 160 | -66.2 | 179.5 | 178.5 | -179.9 | 0 | 106.3 | W53 M57 | W53-K55 PolarHBondContact O-N 3.17Å; W53-K55 VanDerWaalsContact O-N 3.11Å; K55-M57 PolarHBondContact O-N 3.48Å |
| 56 | P | 56.1 | Low | 59.2 | Low | 107 Ų | 107 | 116.9 Ų | 116.9 | 70% | 0.695 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 119.2 | 167.1 | -25.9 | 34.9 | 0 | 0 | 0 | 108.1 | D58 | P56-D58 PolarHBondContact O-N 3.14Š|
| 57 | M | 52.2 | Low | 59.4 | Low | 171 Ų | 171 | 118.4 Ų | 118.4 | 84% | 0.842 | 62% | 0.623 | S | S | * | * | trans | -84 | -1 | -174.9 | -80.4 | -72.9 | -70.8 | 0 | 0 | 111.8 | K55 | K55-M57 PolarHBondContact O-N 3.48Š| ||
| 58 | D | 58.2 | Low | 59.8 | Low | 93 Ų | 93 | 118.5 Ų | 118.5 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -77.9 | 128.4 | -176.9 | -47.5 | -60.7 | 0 | 0 | 0 | 109.5 | P56 L63 | P56-D58 PolarHBondContact O-N 3.14Å; D58-L63 HydrophobicContact CB-CD1 4.37Å; D58-L63 HydrophobicContact CB-CD2 3.94Å; D58-L63 HydrophobicContact CB-CG 3.89Å |
| 59 | T | 63.8 | Low | 60.5 | Low | 91 Ų | 91 | 116.9 Ų | 116.9 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | trans | -66.1 | 147.9 | 173.3 | 55.2 | 0 | 0 | 0 | 0 | 108.8 | A61 A62 L63 | T59-A61 PolarHBondContact O-N 3.04Å; T59-A62 WeakPolarHBondContact O-CB 3.3Å; T59-A62 PolarHBondContact O-N 3.37Å; T59-L63 PolarHBondContact O-N 2.97Å | ||
| 60 | P | 60.4 | Low | 61.5 | Low | 103 Ų | 103 | 117 Ų | 117 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.3 | -29.8 | -175.5 | 19.9 | -32.1 | 0 | 0 | 0 | 113.2 | A62 L63 E64 | P60-A62 PolarHBondContact O-N 3.15Å; P60-L63 PolarHBondContact O-N 3.29Å; P60-E64 PolarHBondContact O-N 3.45Å |
| 61 | A | 60.1 | Low | 62.9 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.7 | -25.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T59 | T59-A61 PolarHBondContact O-N 3.04Å |
| 62 | A | 59.6 | Low | 64.5 | Low | 37 Ų | 37 | 109.6 Ų | 109.6 | 31% | 0.306 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.3 | -45.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T59 P60 E64 S65 D66 | T59-A62 WeakPolarHBondContact O-CB 3.3Å; T59-A62 PolarHBondContact O-N 3.37Å; P60-A62 PolarHBondContact O-N 3.15Å; A62-E64 VanDerWaalsContact C-N 3.34Å; A62-E64 PolarHBondContact O-N 3.44Å; A62-S65 WeakPolarHBondContact O-CB 3.3Å; A62-S65 PolarHBondContact O-N 2.86Å; A62-S65 VanDerWaalsContact O-N 3.08Å; A62-D66 PolarHBondContact O-N 2.66Å; A62-D66 VanDerWaalsContact O-N 3.12Å |
| 63 | L | 60.2 | Low | 66.1 | Low | 82 Ų | 82 | 107.8 Ų | 107.8 | 43% | 0.429 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.8 | -38.5 | 178.4 | -67.9 | 173 | 0 | 0 | 0 | 112.8 | D58 T59 P60 S65 D66 F67 | D58-L63 HydrophobicContact CB-CD1 4.37Å; D58-L63 HydrophobicContact CB-CD2 3.94Å; D58-L63 HydrophobicContact CB-CG 3.89Å; T59-L63 PolarHBondContact O-N 2.97Å; P60-L63 PolarHBondContact O-N 3.29Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.19Å; L63-D66 PolarHBondContact O-N 3Å; L63-F67 WeakPolarHBondContact O-CB 3.49Å; L63-F67 PolarHBondContact O-N 3.12Å |
| 64 | E | 62.4 | Low | 68.1 | Low | 136 Ų | 136 | 101 Ų | 101 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.7 | -31.1 | 175.2 | -73.6 | -171.7 | -173.2 | 0 | 0 | 113.2 | P60 A62 N68 | P60-E64 PolarHBondContact O-N 3.45Å; A62-E64 VanDerWaalsContact C-N 3.34Å; A62-E64 PolarHBondContact O-N 3.44Å; E64-N68 WeakPolarHBondContact O-CB 3.41Å; E64-N68 PolarHBondContact O-N 2.95Å; E64-N68 VanDerWaalsContact O-N 3.1Å; E64-N68 PolarHBondContact O-ND2 3.4Å; E64-N68 VanDerWaalsContact O-ND2 3.14Å |
| 65 | S | 65.1 | Low | 70 | Confident | 75 Ų | 75 | 103.5 Ų | 103.5 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.8 | -44.4 | 173.1 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | A62 L63 S69 | A62-S65 WeakPolarHBondContact O-CB 3.3Å; A62-S65 PolarHBondContact O-N 2.86Å; A62-S65 VanDerWaalsContact O-N 3.08Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.19Å; S65-S69 VanDerWaalsContact O-CB 3.25Å; S65-S69 WeakPolarHBondContact O-CB 3.11Å; S65-S69 PolarHBondContact O-N 2.81Å |
| 66 | D | 65.1 | Low | 71.8 | Confident | 104 Ų | 104 | 97.7 Ų | 97.7 | 56% | 0.556 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.2 | -34.9 | 179.6 | -67.1 | -26.2 | 0 | 0 | 0 | 111.9 | A62 L63 Y70 | A62-D66 PolarHBondContact O-N 2.66Å; A62-D66 VanDerWaalsContact O-N 3.12Å; L63-D66 PolarHBondContact O-N 3Å; D66-Y70 PolarHBondContact O-N 3.37Å |
| 67 | F | 67 | Low | 73.7 | Confident | 160 Ų | 160 | 96.7 Ų | 96.7 | 70% | 0.702 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -48.3 | 175.7 | -129.1 | -88.6 | 0 | 0 | 0 | 112.1 | L63 Y70 S71 | L63-F67 WeakPolarHBondContact O-CB 3.49Å; L63-F67 PolarHBondContact O-N 3.12Å; F67-Y70 PolarHBondContact O-N 3.36Å; F67-S71 PolarHBondContact O-N 2.86Å; F67-S71 VanDerWaalsContact O-N 3.15Å; F67-S71 PolarHBondContact O-OG 3.49Å |
| 68 | N | 73.7 | Confident | 75.7 | Confident | 103 Ų | 103 | 91.4 Ų | 91.4 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 175.8 | -71.2 | -31.1 | 0 | 0 | 0 | 111.1 | E64 Y70 S71 D72 | E64-N68 WeakPolarHBondContact O-CB 3.41Å; E64-N68 PolarHBondContact O-N 2.95Å; E64-N68 VanDerWaalsContact O-N 3.1Å; E64-N68 PolarHBondContact O-ND2 3.4Å; E64-N68 VanDerWaalsContact O-ND2 3.14Å; N68-Y70 PolarHBondContact O-N 3.13Å; N68-Y70 VanDerWaalsContact O-N 3.13Å; N68-S71 PolarHBondContact O-N 3.08Å; N68-S71 VanDerWaalsContact O-N 3.08Å; N68-D72 PolarHBondContact O-N 3.13Å; N68-D72 VanDerWaalsContact O-N 3.13Å |
| 69 | S | 76.4 | Confident | 77.6 | Confident | 68 Ų | 68 | 92.7 Ų | 92.7 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -18.2 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 114 | S65 L73 | S65-S69 VanDerWaalsContact O-CB 3.25Å; S65-S69 WeakPolarHBondContact O-CB 3.11Å; S65-S69 PolarHBondContact O-N 2.81Å; S69-L73 WeakPolarHBondContact O-CG 3.37Å |
| 70 | Y | 81.3 | Confident | 79.1 | Confident | 88 Ų | 88 | 91.2 Ų | 91.2 | 35% | 0.345 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -85.7 | -36.9 | 172.8 | -161.7 | -86.6 | 0 | 0 | 0 | 111.9 | D66 F67 N68 L73 Q78 R81 | D66-Y70 PolarHBondContact O-N 3.37Å; F67-Y70 PolarHBondContact O-N 3.36Å; N68-Y70 PolarHBondContact O-N 3.13Å; N68-Y70 VanDerWaalsContact O-N 3.13Å; Y70-L73 HydrophobicContact CD2-CD1 3.99Å; Y70-L73 HydrophobicContact CE2-CD1 4.4Å; Y70-L73 HydrophobicContact CG-CD1 4.18Å; Y70-L73 WeakPolarHBondContact O-CB 3.33Å; Y70-L73 WeakPolarHBondContact O-CD1 3.35Å; Y70-L73 WeakPolarHBondContact O-CG 3.43Å; Y70-L73 PolarHBondContact O-N 3.5Å; Y70-Q78 HydrophobicContact CD1-CG 4.1Å; Y70-Q78 HydrophobicContact CE1-CB 3.78Å; Y70-Q78 HydrophobicContact CE1-CG 3.64Å; Y70-Q78 PolarHBondContact O-NE2 3.08Å; Y70-Q78 PolarHBondContact OH-O 3.49Å; Y70-Q78 VanDerWaalsContact OH-O 3.04Å; Y70-R81 HydrophobicContact CE2-CB 3.94Å; Y70-R81 HydrophobicContact CE2-CG 4.47Å |
| 71 | S | 83.9 | Confident | 80.8 | Confident | 79 Ų | 79 | 91.9 Ų | 91.9 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.5 | -29.5 | 179.1 | -61.2 | 0 | 0 | 0 | 0 | 113.8 | F67 N68 L73 | F67-S71 PolarHBondContact O-N 2.86Å; F67-S71 VanDerWaalsContact O-N 3.15Å; F67-S71 PolarHBondContact O-OG 3.49Å; N68-S71 PolarHBondContact O-N 3.08Å; N68-S71 VanDerWaalsContact O-N 3.08Å; S71-L73 PolarHBondContact O-N 3.14Å |
| 72 | D | 90.7 | Very high | 82.5 | Confident | 146 Ų | 146 | 94.4 Ų | 94.4 | 78% | 0.781 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -8 | 176 | -71.1 | -29.2 | 0 | 0 | 0 | 113.9 | N68 | N68-D72 PolarHBondContact O-N 3.13Å; N68-D72 VanDerWaalsContact O-N 3.13Å |
| 73 | L | 91.5 | Very high | 84.3 | Confident | 27 Ų | 27 | 95 Ų | 95 | 14% | 0.141 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -79.9 | 148.7 | -178.9 | -58.2 | 171.6 | 0 | 0 | 0 | 112.1 | S69 Y70 S71 E77 Q78 | S69-L73 WeakPolarHBondContact O-CG 3.37Å; Y70-L73 HydrophobicContact CD2-CD1 3.99Å; Y70-L73 HydrophobicContact CE2-CD1 4.4Å; Y70-L73 HydrophobicContact CG-CD1 4.18Å; Y70-L73 WeakPolarHBondContact O-CB 3.33Å; Y70-L73 WeakPolarHBondContact O-CD1 3.35Å; Y70-L73 WeakPolarHBondContact O-CG 3.43Å; Y70-L73 PolarHBondContact O-N 3.5Å; S71-L73 PolarHBondContact O-N 3.14Å; L73-E77 HydrophobicContact CB-CB 4.15Å; L73-Q78 HydrophobicContact CB-CG 3.76Å; L73-Q78 HydrophobicContact CD1-CG 4.29Å; L73-Q78 PolarHBondContact O-NE2 3.35Å |
| 74 | T | 93.6 | Very high | 86 | Confident | 86 Ų | 86 | 94 Ų | 94 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | trans | -67 | 152.5 | 170 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | G76 E77 Q78 | T74-G76 VanDerWaalsContact C-N 3.26Å; T74-G76 PolarHBondContact O-N 2.99Å; T74-E77 WeakPolarHBondContact CB-OE2 3.47Å; T74-E77 PolarHBondContact N-OE2 3.43Å; T74-E77 WeakPolarHBondContact O-CA 3.25Å; T74-E77 WeakPolarHBondContact O-CB 3.34Å; T74-E77 PolarHBondContact O-N 2.92Å; T74-E77 VanDerWaalsContact OG1-CD 3.3Å; T74-E77 VanDerWaalsContact OG1-CG 3.31Å; T74-E77 WeakPolarHBondContact OG1-CG 3.41Å; T74-E77 PolarHBondContact OG1-OE2 3.03Å; T74-Q78 PolarHBondContact O-N 3.39Å | ||
| 75 | E | 92.3 | Very high | 87.6 | Confident | 165 Ų | 165 | 89 Ų | 89 | 77% | 0.771 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -49.3 | -44.6 | -180 | -176.8 | -178.5 | -167.1 | 0 | 0 | 112.6 | E77 Q78 E79 | E75-E77 VanDerWaalsContact C-N 3.29Å; E75-E77 PolarHBondContact O-N 3.28Å; E75-Q78 PolarHBondContact O-N 3.04Å; E75-E79 WeakPolarHBondContact O-CB 3.35Å; E75-E79 PolarHBondContact O-N 3.37Å |
| 76 | G | 95.4 | Very high | 89.2 | Confident | 53 Ų | 53 | 89 Ų | 89 | 55% | 0.546 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -25.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T74 A80 | T74-G76 VanDerWaalsContact C-N 3.26Å; T74-G76 PolarHBondContact O-N 2.99Å; G76-A80 VanDerWaalsContact O-CB 3.25Å; G76-A80 WeakPolarHBondContact O-CB 3.45Å; G76-A80 PolarHBondContact O-N 3.33Å; G76-A80 VanDerWaalsContact O-N 3.09Å |
| 77 | E | 95.1 | Very high | 90.7 | Very high | 86 Ų | 86 | 86.9 Ų | 86.9 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -83.6 | -25.9 | 174.4 | -70.1 | 171.7 | 120.6 | 0 | 0 | 112.9 | L73 T74 E75 R81 | L73-E77 HydrophobicContact CB-CB 4.15Å; T74-E77 WeakPolarHBondContact CB-OE2 3.47Å; T74-E77 PolarHBondContact N-OE2 3.43Å; T74-E77 WeakPolarHBondContact O-CA 3.25Å; T74-E77 WeakPolarHBondContact O-CB 3.34Å; T74-E77 PolarHBondContact O-N 2.92Å; T74-E77 VanDerWaalsContact OG1-CD 3.3Å; T74-E77 VanDerWaalsContact OG1-CG 3.31Å; T74-E77 WeakPolarHBondContact OG1-CG 3.41Å; T74-E77 PolarHBondContact OG1-OE2 3.03Å; E75-E77 VanDerWaalsContact C-N 3.29Å; E75-E77 PolarHBondContact O-N 3.28Å; E77-R81 WeakPolarHBondContact O-CG 3.47Å; E77-R81 PolarHBondContact O-N 3.4Å; E77-R81 PolarHBondContact O-NH1 2.99Å; E77-R81 VanDerWaalsContact O-NH1 3.12Å |
| 78 | Q | 95.1 | Very high | 92 | Very high | 61 Ų | 61 | 85 Ų | 85 | 29% | 0.285 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.4 | -48.9 | 169.2 | -61.5 | -176.3 | 28.7 | 0 | 0 | 110 | Y70 L73 T74 E75 A80 R81 F82 | Y70-Q78 HydrophobicContact CD1-CG 4.1Å; Y70-Q78 HydrophobicContact CE1-CB 3.78Å; Y70-Q78 HydrophobicContact CE1-CG 3.64Å; Y70-Q78 PolarHBondContact O-NE2 3.08Å; Y70-Q78 PolarHBondContact OH-O 3.49Å; Y70-Q78 VanDerWaalsContact OH-O 3.04Å; L73-Q78 HydrophobicContact CB-CG 3.76Å; L73-Q78 HydrophobicContact CD1-CG 4.29Å; L73-Q78 PolarHBondContact O-NE2 3.35Å; T74-Q78 PolarHBondContact O-N 3.39Å; E75-Q78 PolarHBondContact O-N 3.04Å; Q78-A80 VanDerWaalsContact C-N 3.31Å; Q78-A80 PolarHBondContact O-N 3.39Å; Q78-R81 PolarHBondContact O-N 3.3Å; Q78-R81 VanDerWaalsContact O-N 3.09Å; Q78-F82 PolarHBondContact O-N 2.91Å |
| 79 | E | 96.4 | Very high | 93.2 | Very high | 120 Ų | 120 | 85.7 Ų | 85.7 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.2 | -45 | 174.4 | -173.8 | 67.5 | -152.6 | 0 | 0 | 111.3 | E75 R81 F82 A83 | E75-E79 WeakPolarHBondContact O-CB 3.35Å; E75-E79 PolarHBondContact O-N 3.37Å; E79-R81 PolarHBondContact O-N 3.47Å; E79-F82 PolarHBondContact O-N 3.12Å; E79-A83 WeakPolarHBondContact O-CB 3.49Å; E79-A83 PolarHBondContact O-N 3.25Å |
| 80 | A | 96.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 89.4 Ų | 89.4 | 49% | 0.488 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G76 Q78 A84 | G76-A80 VanDerWaalsContact O-CB 3.25Å; G76-A80 WeakPolarHBondContact O-CB 3.45Å; G76-A80 PolarHBondContact O-N 3.33Å; G76-A80 VanDerWaalsContact O-N 3.09Å; Q78-A80 VanDerWaalsContact C-N 3.31Å; Q78-A80 PolarHBondContact O-N 3.39Å; A80-A84 VanDerWaalsContact O-CB 3.29Å; A80-A84 WeakPolarHBondContact O-CB 3.45Å; A80-A84 PolarHBondContact O-N 3.02Å |
| 81 | R | 95.3 | Very high | 94.8 | Very high | 118 Ų | 118 | 87.6 Ų | 87.6 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 174.9 | -79.3 | 175.9 | 175.8 | 79.8 | -12.3 | 111.8 | Y70 E77 Q78 E79 A84 G85 | Y70-R81 HydrophobicContact CE2-CB 3.94Å; Y70-R81 HydrophobicContact CE2-CG 4.47Å; E77-R81 WeakPolarHBondContact O-CG 3.47Å; E77-R81 PolarHBondContact O-N 3.4Å; E77-R81 PolarHBondContact O-NH1 2.99Å; E77-R81 VanDerWaalsContact O-NH1 3.12Å; Q78-R81 PolarHBondContact O-N 3.3Å; Q78-R81 VanDerWaalsContact O-N 3.09Å; E79-R81 PolarHBondContact O-N 3.47Å; R81-A84 PolarHBondContact O-N 3.28Å; R81-G85 PolarHBondContact O-N 3.35Å |
| 82 | F | 95.6 | Very high | 95.3 | Very high | 129 Ų | 129 | 88 Ų | 88 | 57% | 0.566 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.5 | -51.4 | 173.8 | 172.8 | -102.7 | 0 | 0 | 0 | 111.2 | Q78 E79 A84 G85 V86 | Q78-F82 PolarHBondContact O-N 2.91Å; E79-F82 PolarHBondContact O-N 3.12Å; F82-A84 VanDerWaalsContact C-N 3.31Å; F82-A84 PolarHBondContact O-N 3.33Å; F82-G85 PolarHBondContact O-N 3.34Å; F82-V86 HydrophobicContact CD1-CG2 4.42Å; F82-V86 HydrophobicContact CD2-CG2 4.34Å; F82-V86 HydrophobicContact CE1-CG2 3.99Å; F82-V86 HydrophobicContact CE2-CG2 3.9Å; F82-V86 HydrophobicContact CZ-CG2 3.7Å; F82-V86 WeakPolarHBondContact O-CG2 3.28Å; F82-V86 PolarHBondContact O-N 3.4Å |
| 83 | A | 97.6 | Very high | 95.5 | Very high | 50 Ų | 50 | 83.3 Ų | 83.3 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E79 V86 A87 | E79-A83 WeakPolarHBondContact O-CB 3.49Å; E79-A83 PolarHBondContact O-N 3.25Å; A83-V86 PolarHBondContact O-N 3.19Å; A83-A87 WeakPolarHBondContact O-CB 3.43Å; A83-A87 PolarHBondContact O-N 2.91Å |
| 84 | A | 96 | Very high | 95.7 | Very high | 61 Ų | 61 | 85.6 Ų | 85.6 | 50% | 0.504 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A80 R81 F82 A87 E88 | A80-A84 VanDerWaalsContact O-CB 3.29Å; A80-A84 WeakPolarHBondContact O-CB 3.45Å; A80-A84 PolarHBondContact O-N 3.02Å; R81-A84 PolarHBondContact O-N 3.28Å; F82-A84 VanDerWaalsContact C-N 3.31Å; F82-A84 PolarHBondContact O-N 3.33Å; A84-A87 PolarHBondContact O-N 2.87Å; A84-E88 PolarHBondContact O-N 3.17Å |
| 85 | G | 96.3 | Very high | 95.6 | Very high | 30 Ų | 30 | 84.2 Ų | 84.2 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R81 F82 E88 Q89 | R81-G85 PolarHBondContact O-N 3.35Å; F82-G85 PolarHBondContact O-N 3.34Å; G85-E88 PolarHBondContact O-N 3.05Å; G85-Q89 WeakPolarHBondContact O-CG 3.38Å; G85-Q89 PolarHBondContact O-N 3.29Å |
| 86 | V | 98 | Very high | 95.7 | Very high | 77 Ų | 77 | 82.3 Ų | 82.3 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 173.2 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | F82 A83 Q89 F90 | F82-V86 HydrophobicContact CD1-CG2 4.42Å; F82-V86 HydrophobicContact CD2-CG2 4.34Å; F82-V86 HydrophobicContact CE1-CG2 3.99Å; F82-V86 HydrophobicContact CE2-CG2 3.9Å; F82-V86 HydrophobicContact CZ-CG2 3.7Å; F82-V86 WeakPolarHBondContact O-CG2 3.28Å; F82-V86 PolarHBondContact O-N 3.4Å; A83-V86 PolarHBondContact O-N 3.19Å; V86-Q89 PolarHBondContact O-N 3.15Å; V86-F90 PolarHBondContact O-N 3.18Å |
| 87 | A | 96.6 | Very high | 95.4 | Very high | 58 Ų | 58 | 85.8 Ų | 85.8 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A83 A84 F90 A91 | A83-A87 WeakPolarHBondContact O-CB 3.43Å; A83-A87 PolarHBondContact O-N 2.91Å; A84-A87 PolarHBondContact O-N 2.87Å; A87-F90 PolarHBondContact O-N 2.94Å; A87-A91 WeakPolarHBondContact O-CB 3.28Å; A87-A91 PolarHBondContact O-N 3.46Å |
| 88 | E | 95.4 | Very high | 95 | Very high | 120 Ų | 120 | 88.7 Ų | 88.7 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.5 | -47.5 | 173.1 | -174 | -175.3 | 174.6 | 0 | 0 | 111.4 | A84 G85 F90 A91 I92 | A84-E88 PolarHBondContact O-N 3.17Å; G85-E88 PolarHBondContact O-N 3.05Å; E88-F90 VanDerWaalsContact C-N 3.28Å; E88-F90 PolarHBondContact O-N 3.1Å; E88-A91 PolarHBondContact O-N 3.36Å; E88-A91 VanDerWaalsContact O-N 3.17Å; E88-I92 HydrophobicContact CG-CD1 3.97Å; E88-I92 WeakPolarHBondContact O-CG1 3.31Å; E88-I92 PolarHBondContact O-N 3.18Å |
| 89 | Q | 97.9 | Very high | 94.4 | Very high | 119 Ų | 119 | 89.1 Ų | 89.1 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -37.9 | 176 | -66.1 | -52.5 | -58.7 | 0 | 0 | 112.1 | G85 V86 I92 A93 | G85-Q89 WeakPolarHBondContact O-CG 3.38Å; G85-Q89 PolarHBondContact O-N 3.29Å; V86-Q89 PolarHBondContact O-N 3.15Å; Q89-I92 PolarHBondContact O-N 3.39Å; Q89-A93 WeakPolarHBondContact O-CB 3.4Å; Q89-A93 PolarHBondContact O-N 3.2Å |
| 90 | F | 96.8 | Very high | 93.8 | Very high | 145 Ų | 145 | 92.5 Ų | 92.5 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 173.7 | -170.1 | -91 | 0 | 0 | 0 | 111.7 | V86 A87 E88 I92 A93 E94 | V86-F90 PolarHBondContact O-N 3.18Å; A87-F90 PolarHBondContact O-N 2.94Å; E88-F90 VanDerWaalsContact C-N 3.28Å; E88-F90 PolarHBondContact O-N 3.1Å; F90-I92 PolarHBondContact O-N 3.42Å; F90-A93 PolarHBondContact O-N 3.03Å; F90-E94 VanDerWaalsContact O-CB 3.27Å; F90-E94 WeakPolarHBondContact O-CB 3.38Å; F90-E94 PolarHBondContact O-N 2.92Å |
| 91 | A | 95.6 | Very high | 92.3 | Very high | 51 Ų | 51 | 94.1 Ų | 94.1 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A87 E88 E94 A95 | A87-A91 WeakPolarHBondContact O-CB 3.28Å; A87-A91 PolarHBondContact O-N 3.46Å; E88-A91 PolarHBondContact O-N 3.36Å; E88-A91 VanDerWaalsContact O-N 3.17Å; A91-E94 PolarHBondContact O-N 3.45Å; A91-A95 VanDerWaalsContact O-CB 3.25Å; A91-A95 WeakPolarHBondContact O-CB 3.34Å; A91-A95 PolarHBondContact O-N 3.05Å |
| 92 | I | 93.1 | Very high | 90.6 | Very high | 88 Ų | 88 | 93.2 Ų | 93.2 | 45% | 0.451 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 174.1 | -68.5 | 166.5 | 0 | 0 | 0 | 110.6 | E88 Q89 F90 K96 | E88-I92 HydrophobicContact CG-CD1 3.97Å; E88-I92 WeakPolarHBondContact O-CG1 3.31Å; E88-I92 PolarHBondContact O-N 3.18Å; Q89-I92 PolarHBondContact O-N 3.39Å; F90-I92 PolarHBondContact O-N 3.42Å; I92-K96 VanDerWaalsContact O-CB 3.24Å; I92-K96 WeakPolarHBondContact O-CB 3.33Å; I92-K96 PolarHBondContact O-N 2.98Å |
| 93 | A | 95.9 | Very high | 88.8 | Confident | 47 Ų | 47 | 92.4 Ų | 92.4 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q89 F90 K96 L97 | Q89-A93 WeakPolarHBondContact O-CB 3.4Å; Q89-A93 PolarHBondContact O-N 3.2Å; F90-A93 PolarHBondContact O-N 3.03Å; A93-K96 PolarHBondContact O-N 3.36Å; A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 WeakPolarHBondContact O-CG 3.5Å; A93-L97 PolarHBondContact O-N 3.19Å |
| 94 | E | 94.6 | Very high | 87 | Confident | 75 Ų | 75 | 96.8 Ų | 96.8 | 35% | 0.35 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.4 | -46 | 178 | -164.6 | -163.2 | -152 | 0 | 0 | 111.5 | F90 A91 K96 L97 R98 | F90-E94 VanDerWaalsContact O-CB 3.27Å; F90-E94 WeakPolarHBondContact O-CB 3.38Å; F90-E94 PolarHBondContact O-N 2.92Å; A91-E94 PolarHBondContact O-N 3.45Å; E94-K96 VanDerWaalsContact C-N 3.31Å; E94-K96 PolarHBondContact O-N 3.39Å; E94-L97 PolarHBondContact O-N 3Å; E94-R98 VanDerWaalsContact CD-CZ 3.42Å; E94-R98 WeakPolarHBondContact O-CG 3.45Å; E94-R98 PolarHBondContact O-N 2.91Å; E94-R98 IonicContact OE1-CZ 3.55Å; E94-R98 IonicContact OE1-NH1 2.71Å; E94-R98 PolarHBondContact OE1-NH1 2.94Å; E94-R98 IonicContact OE1-NH2 3.58Å; E94-R98 PolarHBondContact OE1-NH2 2.86Å; E94-R98 IonicContact OE2-CZ 3.86Å; E94-R98 IonicContact OE2-NH1 2.69Å; E94-R98 PolarHBondContact OE2-NH1 3.35Å; E94-R98 IonicContact OE2-NH2 3.36Å |
| 95 | A | 92.8 | Very high | 85.2 | Confident | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A91 R98 A99 | A91-A95 VanDerWaalsContact O-CB 3.25Å; A91-A95 WeakPolarHBondContact O-CB 3.34Å; A91-A95 PolarHBondContact O-N 3.05Å; A95-R98 PolarHBondContact O-N 3.26Å; A95-A99 WeakPolarHBondContact O-CB 3.07Å; A95-A99 PolarHBondContact O-N 3.46Å |
| 96 | K | 95.1 | Very high | 83.1 | Confident | 126 Ų | 126 | 102.7 Ų | 102.7 | 55% | 0.548 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.9 | -45.3 | 175.4 | -175.1 | 175.7 | 179.7 | -178.9 | 0 | 111.7 | I92 A93 E94 A99 W100 | I92-K96 VanDerWaalsContact O-CB 3.24Å; I92-K96 WeakPolarHBondContact O-CB 3.33Å; I92-K96 PolarHBondContact O-N 2.98Å; A93-K96 PolarHBondContact O-N 3.36Å; E94-K96 VanDerWaalsContact C-N 3.31Å; E94-K96 PolarHBondContact O-N 3.39Å; K96-A99 PolarHBondContact O-N 3.09Å; K96-W100 PolarHBondContact O-N 3.36Å; K96-W100 VanDerWaalsContact O-N 3.09Å |
| 97 | L | 88.4 | Confident | 81 | Confident | 126 Ų | 126 | 107.5 Ų | 107.5 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.9 | -39.9 | 176.1 | -71.7 | 171.3 | 0 | 0 | 0 | 111.9 | A93 E94 W100 S101 | A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 WeakPolarHBondContact O-CG 3.5Å; A93-L97 PolarHBondContact O-N 3.19Å; E94-L97 PolarHBondContact O-N 3Å; L97-W100 PolarHBondContact O-N 2.86Å; L97-S101 WeakPolarHBondContact O-CB 3.29Å; L97-S101 PolarHBondContact O-N 2.84Å |
| 98 | R | 85.3 | Confident | 78.9 | Confident | 146 Ų | 146 | 109.7 Ų | 109.7 | 55% | 0.551 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.5 | -44.7 | 171.7 | -75.7 | -167.3 | -178 | 101.2 | 12.1 | 112.1 | E94 A95 W100 S101 S102 | E94-R98 VanDerWaalsContact CD-CZ 3.42Å; E94-R98 WeakPolarHBondContact O-CG 3.45Å; E94-R98 PolarHBondContact O-N 2.91Å; E94-R98 IonicContact OE1-CZ 3.55Å; E94-R98 IonicContact OE1-NH1 2.71Å; E94-R98 PolarHBondContact OE1-NH1 2.94Å; E94-R98 IonicContact OE1-NH2 3.58Å; E94-R98 PolarHBondContact OE1-NH2 2.86Å; E94-R98 IonicContact OE2-CZ 3.86Å; E94-R98 IonicContact OE2-NH1 2.69Å; E94-R98 PolarHBondContact OE2-NH1 3.35Å; E94-R98 IonicContact OE2-NH2 3.36Å; A95-R98 PolarHBondContact O-N 3.26Å; R98-W100 PolarHBondContact O-N 3.09Å; R98-S101 PolarHBondContact O-N 3.17Å; R98-S102 WeakPolarHBondContact O-CB 3.25Å; R98-S102 PolarHBondContact O-N 3.04Å |
| 99 | A | 83.3 | Confident | 76.8 | Confident | 70 Ų | 70 | 110 Ų | 110 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63 | -28.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A95 K96 | A95-A99 WeakPolarHBondContact O-CB 3.07Å; A95-A99 PolarHBondContact O-N 3.46Å; K96-A99 PolarHBondContact O-N 3.09Å |
| 100 | W | 84.3 | Confident | 74.4 | Confident | 192 Ų | 192 | 111 Ų | 111 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -83.6 | -33.9 | 175.8 | -72.4 | 42.6 | 0 | 0 | 0 | 112 | K96 L97 R98 | K96-W100 PolarHBondContact O-N 3.36Å; K96-W100 VanDerWaalsContact O-N 3.09Å; L97-W100 PolarHBondContact O-N 2.86Å; R98-W100 PolarHBondContact O-N 3.09Å |
| 101 | S | 65.3 | Low | 72.2 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -77.2 | -24.8 | 177 | -174.6 | 0 | 0 | 0 | 0 | 113.8 | L97 R98 V103 | L97-S101 WeakPolarHBondContact O-CB 3.29Å; L97-S101 PolarHBondContact O-N 2.84Å; R98-S101 PolarHBondContact O-N 3.17Å; S101-V103 PolarHBondContact O-N 3.11Å |
| 102 | S | 58.9 | Low | 70.3 | Confident | 100 Ų | 100 | 112.2 Ų | 112.2 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -0.3 | -175 | -173.7 | 0 | 0 | 0 | 0 | 114.4 | R98 | R98-S102 WeakPolarHBondContact O-CB 3.25Å; R98-S102 PolarHBondContact O-N 3.04Å |
| 103 | V | 58.1 | Low | 68.1 | Low | 112 Ų | 112 | 118.3 Ų | 118.3 | 68% | 0.679 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -15.3 | -176.1 | 78.9 | 0 | 0 | 0 | 0 | 113.8 | S101 | S101-V103 PolarHBondContact O-N 3.11Š|
| 104 | D | 60.4 | Low | 66.2 | Low | 141 Ų | 141 | 122.6 Ų | 122.6 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -125.4 | 34.9 | -171.1 | -67.7 | -42.5 | 0 | 0 | 0 | 113.1 | ||
| 105 | G | 57.5 | Low | 64.1 | Low | 62 Ų | 62 | 127 Ų | 127 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | trans | -163.9 | 57.3 | -172 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 106 | D | 52.9 | Low | 62.2 | Low | 153 Ų | 153 | 131.4 Ų | 131.4 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -142.9 | 66 | 167.6 | -155.1 | 11.5 | 0 | 0 | 0 | 111.4 | ||||
| 107 | E | 52.3 | Low | 59.6 | Low | 178 Ų | 178 | 134.7 Ų | 134.7 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -138.3 | 45.8 | 174.6 | 59.4 | -149.9 | 147 | 0 | 0 | 111.8 | N109 | E107-N109 PolarHBondContact O-N 3.2Š| ||
| 108 | S | 54 | Low | 57.4 | Low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -76.2 | 101.5 | 161.1 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | D110 | S108-D110 PolarHBondContact O-N 2.94Š| ||
| 109 | N | 49.6 | Very low | 55.3 | Low | 128 Ų | 128 | 135.5 Ų | 135.5 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | trans | -71 | 92.2 | 173.5 | -178.9 | 84.4 | 0 | 0 | 0 | 110.4 | E107 D111 | E107-N109 PolarHBondContact O-N 3.2Å; N109-D111 VanDerWaalsContact C-N 3.27Å; N109-D111 VanDerWaalsContact ND2-CG 3.32Å; N109-D111 PolarHBondContact ND2-OD2 3.48Å; N109-D111 PolarHBondContact O-N 2.88Å | ||
| 110 | D | 48.8 | Very low | 53.2 | Low | 140 Ų | 140 | 136.3 Ų | 136.3 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -78.2 | 71.1 | 177.2 | -173.2 | 21.6 | 0 | 0 | 0 | 111.7 | S108 S112 | S108-D110 PolarHBondContact O-N 2.94Å; D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 VanDerWaalsContact O-N 3.1Å | ||
| 111 | D | 49.9 | Very low | 51.3 | Low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | trans | -80.4 | 66.1 | 165.1 | -80.3 | -37.2 | 0 | 0 | 0 | 109.8 | N109 Y113 | N109-D111 VanDerWaalsContact C-N 3.27Å; N109-D111 VanDerWaalsContact ND2-CG 3.32Å; N109-D111 PolarHBondContact ND2-OD2 3.48Å; N109-D111 PolarHBondContact O-N 2.88Å; D111-Y113 VanDerWaalsContact C-N 3.27Å; D111-Y113 PolarHBondContact O-N 3.47Å | ||
| 112 | S | 56.5 | Low | 49.8 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -66.9 | 84.6 | 168 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | D110 D114 | D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 VanDerWaalsContact O-N 3.1Å; S112-D114 PolarHBondContact O-N 3.5Å | ||
| 113 | Y | 47.1 | Very low | 48.9 | Very low | 215 Ų | 215 | 138 Ų | 138 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -68.7 | 122.4 | 170.9 | -128.3 | -99.6 | 0 | 0 | 0 | 110.4 | D111 | D111-Y113 VanDerWaalsContact C-N 3.27Å; D111-Y113 PolarHBondContact O-N 3.47Å | ||
| 114 | D | 54.6 | Low | 47.8 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -59.5 | 137.6 | 167.5 | -83.4 | -45.4 | 0 | 0 | 0 | 110.6 | S112 | S112-D114 PolarHBondContact O-N 3.5Š| ||
| 115 | E | 50.6 | Low | 46.7 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -149 | 111.7 | 147.2 | -89.9 | -60.9 | 116.5 | 0 | 0 | 109.1 | F117 | E115-F117 PolarHBondContact O-N 2.88Š| ||
| 116 | D | 53.3 | Low | 45.9 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -62.9 | 109.8 | 176.5 | -79 | -68 | 0 | 0 | 0 | 112.8 | ||||
| 117 | F | 40.9 | Very low | 45.2 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -153.8 | 106.5 | 152.2 | -90.3 | -68.1 | 0 | 0 | 0 | 113.9 | E115 | E115-F117 PolarHBondContact O-N 2.88Š| ||
| 118 | L | 42 | Very low | 44.7 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -106.6 | 143.5 | 155.1 | -69.4 | -177.6 | 0 | 0 | 0 | 107.5 | ||||
| 119 | P | 41.9 | Very low | 44.2 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | -151.2 | 170 | 63.2 | 40.8 | -21.2 | 0 | 0 | 0 | 119 | |||||
| 120 | A | 38.5 | Very low | 44.2 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | trans | 90 | 107.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 121 | S | 44.3 | Very low | 43.9 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | 67.1 | 88.8 | 140.7 | 64.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 122 | E | 32.9 | Very low | 43.9 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -138.5 | 138.7 | 133.9 | -78.3 | -162.2 | 111.3 | 0 | 0 | 110 | T124 | E122-T124 PolarHBondContact O-N 3.17Š| ||
| 123 | P | 40.1 | Very low | 43.5 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | trans | -81.5 | 68.9 | 173.9 | 34.6 | -34.2 | 0 | 0 | 0 | 110.4 | T125 | P123-T125 PolarHBondContact O-N 2.9Š| ||
| 124 | T | 34.8 | Very low | 44 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 64% | 0.644 | 72% | 0.719 | S | S | * | * | trans | -60.4 | 128.6 | 168.9 | -52.2 | 0 | 0 | 0 | 0 | 109.2 | E122 Q126 | E122-T124 PolarHBondContact O-N 3.17Å; T124-Q126 PolarHBondContact O-N 3.35Å | ||
| 125 | T | 38.7 | Very low | 44.1 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | trans | -67.8 | 80.6 | 175.6 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | P123 S127 | P123-T125 PolarHBondContact O-N 2.9Å; T125-S127 PolarHBondContact O-N 3.34Å; T125-S127 VanDerWaalsContact O-N 3.15Å | ||
| 126 | Q | 39.6 | Very low | 44.2 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | -69.7 | 107 | 164.7 | -68.8 | -172.2 | 4.6 | 0 | 0 | 108.1 | T124 T128 | T124-Q126 PolarHBondContact O-N 3.35Å; Q126-T128 PolarHBondContact O-N 2.94Å | ||
| 127 | S | 38.3 | Very low | 44.7 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | trans | -60.5 | 92.9 | 157.1 | -68.1 | 0 | 0 | 0 | 0 | 107.4 | T125 E129 | T125-S127 PolarHBondContact O-N 3.34Å; T125-S127 VanDerWaalsContact O-N 3.15Å; S127-E129 PolarHBondContact O-N 3.35Å | ||
| 128 | T | 42.1 | Very low | 45.7 | Very low | 112 Ų | 112 | 115.2 Ų | 115.2 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | trans | -52 | 126.6 | -175.1 | -53.1 | 0 | 0 | 0 | 0 | 110 | Q126 L130 | Q126-T128 PolarHBondContact O-N 2.94Å; T128-L130 PolarHBondContact O-N 3.47Å | ||
| 129 | E | 44.2 | Very low | 46.6 | Very low | 135 Ų | 135 | 113 Ų | 113 | 63% | 0.631 | 65% | 0.647 | S | S | * | * | trans | -62.3 | 98.4 | -160.3 | -166 | -176.7 | -176.5 | 0 | 0 | 112.6 | S127 S131 S132 | S127-E129 PolarHBondContact O-N 3.35Å; E129-S131 PolarHBondContact O-N 3.02Å; E129-S132 PolarHBondContact O-N 3.13Å | ||
| 130 | L | 48.3 | Very low | 47.7 | Very low | 127 Ų | 127 | 111.2 Ų | 111.2 | 67% | 0.665 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 2.9 | 177.8 | -138.4 | 110.6 | 0 | 0 | 0 | 113.1 | T128 K138 | T128-L130 PolarHBondContact O-N 3.47Å; L130-K138 WeakPolarHBondContact O-CE 3.38Å; L130-K138 PolarHBondContact O-NZ 2.9Å |
| 131 | S | 44.2 | Very low | 49 | Very low | 89 Ų | 89 | 111.8 Ų | 111.8 | 62% | 0.622 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -31 | 173.1 | -149.9 | 0 | 0 | 0 | 0 | 112.6 | E129 Y133 | E129-S131 PolarHBondContact O-N 3.02Å; S131-Y133 VanDerWaalsContact C-N 3.26Å; S131-Y133 PolarHBondContact O-N 2.84Å |
| 132 | S | 48.1 | Very low | 49.6 | Very low | 96 Ų | 96 | 112.9 Ų | 112.9 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -72.7 | -9.8 | -171.6 | -159.5 | 0 | 0 | 0 | 0 | 115.1 | E129 | E129-S132 PolarHBondContact O-N 3.13Š|
| 133 | Y | 48.4 | Very low | 50.7 | Low | 100 Ų | 100 | 107.5 Ų | 107.5 | 39% | 0.392 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -93.2 | 133.7 | -177.3 | -66.2 | -82.4 | 0 | 0 | 0 | 112.5 | S131 L137 K138 | S131-Y133 VanDerWaalsContact C-N 3.26Å; S131-Y133 PolarHBondContact O-N 2.84Å; Y133-L137 HydrophobicContact CD1-CD1 4.38Å; Y133-K138 WeakPolarHBondContact O-CE 3.25Å |
| 134 | P | 58.7 | Low | 51.4 | Low | 55 Ų | 55 | 106.6 Ų | 106.6 | 36% | 0.357 | 58% | 0.578 | S | S | . | * | trans | -62.6 | 145.5 | 178.7 | 28.2 | -35.6 | 0 | 0 | 0 | 110.7 | Y136 L137 | P134-Y136 VanDerWaalsContact C-N 3.27Å; P134-Y136 HydrophobicContact CB-CD1 3.92Å; P134-Y136 HydrophobicContact CB-CE1 3.53Å; P134-Y136 HydrophobicContact CG-CD1 4.14Å; P134-Y136 HydrophobicContact CG-CE1 3.42Å; P134-Y136 VanDerWaalsContact CG-CE1 3.42Å; P134-Y136 PolarHBondContact O-N 3.35Å; P134-L137 HydrophobicContact CG-CD1 4.17Å; P134-L137 PolarHBondContact O-N 3Å | ||
| 135 | P | 55.9 | Low | 52.1 | Low | 100 Ų | 100 | 106 Ų | 106 | 65% | 0.649 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -57.9 | -33.8 | -160.5 | 17.4 | -31.1 | 0 | 0 | 0 | 114.4 | L137 K138 | P135-L137 PolarHBondContact O-N 3.35Å; P135-L137 VanDerWaalsContact O-N 3.14Å; P135-K138 WeakPolarHBondContact O-CB 3.46Å; P135-K138 PolarHBondContact O-N 3.37Å |
| 136 | Y | 52.9 | Low | 52.9 | Low | 162 Ų | 162 | 103.2 Ų | 103.2 | 64% | 0.635 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.7 | -23.6 | 179.7 | 69.3 | -96.3 | 0 | 0 | 0 | 114.6 | P134 | P134-Y136 VanDerWaalsContact C-N 3.27Å; P134-Y136 HydrophobicContact CB-CD1 3.92Å; P134-Y136 HydrophobicContact CB-CE1 3.53Å; P134-Y136 HydrophobicContact CG-CD1 4.14Å; P134-Y136 HydrophobicContact CG-CE1 3.42Å; P134-Y136 VanDerWaalsContact CG-CE1 3.42Å; P134-Y136 PolarHBondContact O-N 3.35Å |
| 137 | L | 63.6 | Low | 53.5 | Low | 45 Ų | 45 | 102.1 Ų | 102.1 | 24% | 0.236 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -77.6 | -27.6 | 175.1 | -88.2 | 162.8 | 0 | 0 | 0 | 112.4 | Y133 P134 P135 L140 I141 | Y133-L137 HydrophobicContact CD1-CD1 4.38Å; P134-L137 HydrophobicContact CG-CD1 4.17Å; P134-L137 PolarHBondContact O-N 3Å; P135-L137 PolarHBondContact O-N 3.35Å; P135-L137 VanDerWaalsContact O-N 3.14Å; L137-L140 PolarHBondContact O-N 2.78Å; L137-I141 WeakPolarHBondContact O-CD1 3.42Å; L137-I141 VanDerWaalsContact O-CG1 3.3Å; L137-I141 WeakPolarHBondContact O-CG1 3.34Å; L137-I141 PolarHBondContact O-N 3.15Å; L137-I141 VanDerWaalsContact O-N 3.17Å |
| 138 | K | 62.8 | Low | 53.8 | Low | 81 Ų | 81 | 104 Ų | 104 | 35% | 0.352 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 179.9 | -60.8 | -176 | 177.3 | -176.4 | 0 | 110.4 | L130 Y133 P135 L140 I141 H142 | L130-K138 WeakPolarHBondContact O-CE 3.38Å; L130-K138 PolarHBondContact O-NZ 2.9Å; Y133-K138 WeakPolarHBondContact O-CE 3.25Å; P135-K138 WeakPolarHBondContact O-CB 3.46Å; P135-K138 PolarHBondContact O-N 3.37Å; K138-L140 PolarHBondContact O-N 2.71Å; K138-I141 PolarHBondContact O-N 2.91Å; K138-H142 VanDerWaalsContact O-CB 3.28Å; K138-H142 WeakPolarHBondContact O-CB 3.39Å; K138-H142 PolarHBondContact O-N 3.46Å |
| 139 | D | 59.6 | Low | 54 | Low | 119 Ų | 119 | 104.5 Ų | 104.5 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 179.1 | -64.3 | -24.9 | 0 | 0 | 0 | 112.5 | S143 | D139-S143 WeakPolarHBondContact O-CB 3.37Å; D139-S143 PolarHBondContact O-N 2.69Å |
| 140 | L | 66.8 | Low | 54.2 | Low | 87 Ų | 87 | 100.8 Ų | 100.8 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 178.4 | -176 | 60 | 0 | 0 | 0 | 112 | L137 K138 Q144 | L137-L140 PolarHBondContact O-N 2.78Å; K138-L140 PolarHBondContact O-N 2.71Å; L140-Q144 PolarHBondContact O-N 3.33Å; L140-Q144 VanDerWaalsContact O-N 3.15Å |
| 141 | I | 64.4 | Low | 54 | Low | 98 Ų | 98 | 102.3 Ų | 102.3 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 177.3 | -66.4 | 166.1 | 0 | 0 | 0 | 110.4 | L137 K138 Q144 L145 | L137-I141 WeakPolarHBondContact O-CD1 3.42Å; L137-I141 VanDerWaalsContact O-CG1 3.3Å; L137-I141 WeakPolarHBondContact O-CG1 3.34Å; L137-I141 PolarHBondContact O-N 3.15Å; L137-I141 VanDerWaalsContact O-N 3.17Å; K138-I141 PolarHBondContact O-N 2.91Å; I141-Q144 PolarHBondContact O-N 3.3Å; I141-L145 HydrophobicContact CG2-CD1 3.94Å; I141-L145 WeakPolarHBondContact O-CB 3.34Å; I141-L145 PolarHBondContact O-N 2.85Å |
| 142 | H | 56.8 | Low | 54.1 | Low | 140 Ų | 140 | 109.1 Ų | 109.1 | 65% | 0.648 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.7 | -40.8 | 178.9 | -166.1 | -101.4 | 0 | 0 | 0 | 112.2 | K138 L145 C146 | K138-H142 VanDerWaalsContact O-CB 3.28Å; K138-H142 WeakPolarHBondContact O-CB 3.39Å; K138-H142 PolarHBondContact O-N 3.46Å; H142-L145 PolarHBondContact O-N 2.81Å; H142-C146 WeakPolarHBondContact O-CB 3.39Å; H142-C146 PolarHBondContact O-N 2.86Å |
| 143 | S | 57.1 | Low | 53.4 | Low | 59 Ų | 59 | 115.2 Ų | 115.2 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.5 | -46.1 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | D139 Q147 | D139-S143 WeakPolarHBondContact O-CB 3.37Å; D139-S143 PolarHBondContact O-N 2.69Å; S143-Q147 WeakPolarHBondContact O-CG 3.34Å; S143-Q147 PolarHBondContact O-N 3.43Å; S143-Q147 PolarHBondContact O-NE2 2.96Å; S143-Q147 PolarHBondContact OG-NE2 2.94Å |
| 144 | Q | 54.2 | Low | 52.8 | Low | 111 Ų | 111 | 116.3 Ų | 116.3 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.6 | -41.3 | 178.2 | -72.3 | -168.2 | 2.2 | 0 | 0 | 112.4 | L140 I141 C146 Q147 H148 | L140-Q144 PolarHBondContact O-N 3.33Å; L140-Q144 VanDerWaalsContact O-N 3.15Å; I141-Q144 PolarHBondContact O-N 3.3Å; Q144-C146 PolarHBondContact O-N 3.34Å; Q144-Q147 PolarHBondContact O-N 2.92Å; Q144-H148 WeakPolarHBondContact O-CB 3.4Å; Q144-H148 PolarHBondContact O-N 3.31Å |
| 145 | L | 50.3 | Low | 51.5 | Low | 92 Ų | 92 | 119 Ų | 119 | 48% | 0.482 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.8 | -42.3 | 175.9 | -81 | 166.5 | 0 | 0 | 0 | 112.3 | I141 H142 Q147 H148 L149 | I141-L145 HydrophobicContact CG2-CD1 3.94Å; I141-L145 WeakPolarHBondContact O-CB 3.34Å; I141-L145 PolarHBondContact O-N 2.85Å; H142-L145 PolarHBondContact O-N 2.81Å; L145-Q147 VanDerWaalsContact C-N 3.31Å; L145-Q147 PolarHBondContact O-N 3.28Å; L145-H148 PolarHBondContact O-N 3.49Å; L145-L149 WeakPolarHBondContact O-CB 3.45Å; L145-L149 VanDerWaalsContact O-CG 3.28Å; L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.03Å |
| 146 | C | 53.8 | Low | 50.7 | Low | 75 Ų | 75 | 120.6 Ų | 120.6 | 51% | 0.507 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62 | -38.3 | 178 | -169.9 | 0 | 0 | 0 | 0 | 112.4 | H142 Q144 | H142-C146 WeakPolarHBondContact O-CB 3.39Å; H142-C146 PolarHBondContact O-N 2.86Å; Q144-C146 PolarHBondContact O-N 3.34Å |
| 147 | Q | 52.7 | Low | 49.8 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 67% | 0.668 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.2 | -41.4 | 174 | -71.6 | 167.6 | 83.1 | 0 | 0 | 112.1 | S143 Q144 L145 G150 | S143-Q147 WeakPolarHBondContact O-CG 3.34Å; S143-Q147 PolarHBondContact O-N 3.43Å; S143-Q147 PolarHBondContact O-NE2 2.96Å; S143-Q147 PolarHBondContact OG-NE2 2.94Å; Q144-Q147 PolarHBondContact O-N 2.92Å; L145-Q147 VanDerWaalsContact C-N 3.31Å; L145-Q147 PolarHBondContact O-N 3.28Å; Q147-G150 PolarHBondContact O-N 3.36Å |
| 148 | H | 44.7 | Very low | 48.4 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.8 | -21.8 | -175.1 | -140.3 | -58 | 0 | 0 | 0 | 114.1 | Q144 L145 | Q144-H148 WeakPolarHBondContact O-CB 3.4Å; Q144-H148 PolarHBondContact O-N 3.31Å; L145-H148 PolarHBondContact O-N 3.49Å |
| 149 | L | 47.1 | Very low | 47.1 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 2.4 | 175.5 | -67.8 | 170.4 | 0 | 0 | 0 | 113.6 | L145 M151 | L145-L149 WeakPolarHBondContact O-CB 3.45Å; L145-L149 VanDerWaalsContact O-CG 3.28Å; L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.03Å; L149-M151 VanDerWaalsContact C-N 3.3Å; L149-M151 PolarHBondContact O-N 3.48Å |
| 150 | G | 47.6 | Very low | 45.9 | Very low | 58 Ų | 58 | 124.5 Ų | 124.5 | 60% | 0.598 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.4 | 17.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q147 R152 | Q147-G150 PolarHBondContact O-N 3.36Å; G150-R152 PolarHBondContact O-N 2.84Å |
| 151 | M | 45.2 | Very low | 44.2 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | trans | -73 | 28.5 | -174.6 | -63.8 | -60.1 | -67.4 | 0 | 0 | 115 | L149 | L149-M151 VanDerWaalsContact C-N 3.3Å; L149-M151 PolarHBondContact O-N 3.48Å | ||
| 152 | R | 45.7 | Very low | 43.1 | Very low | 232 Ų | 232 | 127.9 Ų | 127.9 | 88% | 0.875 | 73% | 0.729 | S | S | * | * | trans | -84.4 | 111.2 | 169.8 | -97.2 | -81.7 | -175.4 | -171.9 | -1.4 | 109.4 | G150 | G150-R152 PolarHBondContact O-N 2.84Š| ||
| 153 | R | 33.2 | Very low | 41.9 | Very low | 224 Ų | 224 | 124.8 Ų | 124.8 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -51.2 | 128.9 | 168.4 | 175.8 | -178.6 | -83.9 | 148.1 | -8.7 | 110.3 | ||||
| 154 | P | 35.7 | Very low | 41.2 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -70.1 | 140.8 | 176.1 | -18.5 | 31.7 | 0 | 0 | 0 | 112.6 | ||||
| 155 | C | 31.3 | Very low | 40.2 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -115.3 | 142.3 | 163.2 | -67.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 156 | P | 38.5 | Very low | 39.6 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -80 | 132.3 | -178.7 | 31.2 | -33.2 | 0 | 0 | 0 | 112 | ||||
| 157 | E | 35.3 | Very low | 38.5 | Very low | 201 Ų | 201 | 130.5 Ų | 130.5 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | -79.3 | 145.3 | 168.4 | -67.5 | 178.3 | 103.5 | 0 | 0 | 111 | ||||
| 158 | S | 34.7 | Very low | 38.1 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -119.3 | 120.3 | 171.5 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 159 | G | 33.9 | Very low | 37.6 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | -79.9 | 138.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 160 | G | 34.2 | Very low | 37.5 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | trans | -88.2 | 163.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 161 | G | 33 | Very low | 37.2 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 76% | 0.763 | 85% | 0.849 | S | S | * | * | trans | -169.2 | 86.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 162 | I | 40.8 | Very low | 36.7 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 93% | 0.933 | 85% | 0.847 | S | S | * | * | trans | 38.5 | 124.1 | 147.4 | -48.6 | 177.7 | 0 | 0 | 0 | 119.8 | ||||
| 163 | G | 31.2 | Very low | 36.4 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | trans | -179 | 123.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 164 | E | 42.9 | Very low | 36.4 | Very low | 207 Ų | 207 | 127.7 Ų | 127.7 | 97% | 0.967 | 85% | 0.846 | S | S | * | * | trans | -81.3 | 151.4 | 179.5 | -63.3 | 171.9 | 93.3 | 0 | 0 | 113.2 | ||||
| 165 | G | 31.9 | Very low | 36.2 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | 161 | 111.2 | 167 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 166 | G | 39.3 | Very low | 36.2 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 93% | 0.928 | 85% | 0.85 | S | S | * | * | trans | -80.5 | 150.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 167 | G | 30.4 | Very low | 35.7 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | trans | -179.2 | 119.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R169 | G167-R169 PolarHBondContact O-N 3.2Š| ||
| 168 | S | 43.1 | Very low | 36.4 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | trans | -66.7 | 113.1 | -176.8 | 164.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 169 | R | 35.5 | Very low | 36.5 | Very low | 230 Ų | 230 | 123.5 Ų | 123.5 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | trans | -165.9 | 136.5 | 154.6 | -146.3 | 167 | 171 | -176.8 | -6.3 | 111.3 | G167 | G167-R169 PolarHBondContact O-N 3.2Š| ||
| 170 | E | 43.4 | Very low | 37.2 | Very low | 188 Ų | 188 | 126 Ų | 126 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | trans | -63.1 | 137.3 | 164.9 | -73 | 176 | 107.5 | 0 | 0 | 110.1 | ||||
| 171 | P | 41.7 | Very low | 37.8 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 74% | 0.74 | 84% | 0.836 | S | S | * | * | -148.6 | 163.7 | 109.8 | 37.7 | -21.7 | 0 | 0 | 0 | 115.9 | |||||
| 172 | S | 35.1 | Very low | 38.4 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | trans | 39.6 | 132.1 | 149.7 | -52.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 173 | P | 40.1 | Very low | 38.3 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 87% | 0.87 | 83% | 0.834 | S | S | * | * | trans | -100.2 | 114.9 | 162.8 | 34.7 | -26.1 | 0 | 0 | 0 | 113 | ||||
| 174 | T | 32.2 | Very low | 39 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 82% | 0.816 | 84% | 0.835 | S | S | * | * | trans | -112.2 | 115.4 | 163.2 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 175 | A | 32.1 | Very low | 39 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | trans | 67.6 | 138.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 176 | C | 30.9 | Very low | 39.7 | Very low | 136 Ų | 136 | 132 Ų | 132 | 92% | 0.919 | 83% | 0.834 | S | S | * | * | trans | 73.9 | 104.7 | 148.8 | -83.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 177 | S | 28.7 | Very low | 39.9 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | trans | -130.8 | 138.5 | 142.4 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 178 | P | 48.7 | Very low | 40.5 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | trans | -100.6 | 111.4 | -171.9 | 35.3 | -29.3 | 0 | 0 | 0 | 113.4 | ||||
| 179 | D | 37.6 | Very low | 40.5 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -156 | 9.8 | 169.3 | -101.2 | -35.7 | 0 | 0 | 0 | 115.7 | ||||
| 180 | T | 48.3 | Very low | 41.2 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -102.9 | 29.4 | -171.6 | 51.6 | 0 | 0 | 0 | 0 | 115.6 | C182 | T180-C182 PolarHBondContact O-N 2.98Š| ||
| 181 | L | 47.9 | Very low | 41.2 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -99.9 | 60.3 | 174.2 | -66.1 | -177.8 | 0 | 0 | 0 | 112.9 | ||||
| 182 | C | 44.1 | Very low | 41.5 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -145 | 27.5 | 172.7 | -96.5 | 0 | 0 | 0 | 0 | 114.6 | T180 | T180-C182 PolarHBondContact O-N 2.98Š| ||
| 183 | S | 39.7 | Very low | 42.3 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -130.7 | 60.6 | -177.4 | -62 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 184 | S | 45.4 | Very low | 42.7 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -172.8 | 68.9 | 150.6 | -164.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 185 | L | 42.9 | Very low | 43.4 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | -150.8 | 28.9 | 159.9 | -81.5 | -169.1 | 0 | 0 | 0 | 112.1 | ||||
| 186 | C | 46.4 | Very low | 44.2 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 91% | 0.905 | 76% | 0.76 | S | S | * | * | trans | -110 | 57.4 | -175.5 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 187 | S | 43.2 | Very low | 45 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | -166.7 | 78.4 | 153.1 | -162.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 188 | L | 43.8 | Very low | 45.9 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -124.4 | 125.5 | 158.6 | -91.2 | 168.5 | 0 | 0 | 0 | 107 | E190 | L188-E190 PolarHBondContact O-N 3.44Š|
| 189 | D | 42.4 | Very low | 45.6 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 50% | 0.497 | 73% | 0.732 | S | S | . | * | trans | -59.4 | 123.7 | -173.8 | 178.3 | 55.6 | 0 | 0 | 0 | 111.3 | Q191 H192 | D189-Q191 PolarHBondContact O-N 3.23Å; D189-Q191 WeakPolarHBondContact OD2-CB 3.24Å; D189-H192 PolarHBondContact O-CD2 2.77Å | ||
| 190 | E | 50.3 | Low | 46 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 18.8 | -167.1 | -148.8 | 171.2 | 153.9 | 0 | 0 | 112.9 | L188 | L188-E190 PolarHBondContact O-N 3.44Š|
| 191 | Q | 44.4 | Very low | 45.8 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -0.7 | -177 | -52.2 | -166.2 | -11.1 | 0 | 0 | 114.1 | D189 | D189-Q191 PolarHBondContact O-N 3.23Å; D189-Q191 WeakPolarHBondContact OD2-CB 3.24Å |
| 192 | H | 46.4 | Very low | 45.7 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 46% | 0.463 | 72% | 0.722 | S | S | . | * | trans | -64.2 | 127.4 | 178.9 | -74.6 | -64.4 | 0 | 0 | 0 | 112.8 | D189 L194 L195 | D189-H192 PolarHBondContact O-CD2 2.77Å; H192-L194 PolarHBondContact O-N 3.46Å; H192-L194 VanDerWaalsContact O-N 3.15Å; H192-L195 HydrophobicContact CB-CD1 4.5Å; H192-L195 PolarHBondContact O-N 3.42Å; H192-L195 VanDerWaalsContact O-N 3.08Å | ||
| 193 | P | 53.5 | Low | 45.7 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -61.5 | -28.8 | -175.3 | 21.8 | -32.2 | 0 | 0 | 0 | 113.5 | L195 R196 | P193-L195 PolarHBondContact O-N 2.93Å; P193-R196 VanDerWaalsContact O-CB 3.31Å; P193-R196 WeakPolarHBondContact O-CB 3.27Å; P193-R196 PolarHBondContact O-N 3.21Å |
| 194 | L | 46.8 | Very low | 46.2 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -62.9 | -24.8 | 177.3 | -61.1 | 176.4 | 0 | 0 | 0 | 113.9 | H192 L198 | H192-L194 PolarHBondContact O-N 3.46Å; H192-L194 VanDerWaalsContact O-N 3.15Å; L194-L198 VanDerWaalsContact O-CD1 3.26Å; L194-L198 WeakPolarHBondContact O-CD1 3.33Å |
| 195 | L | 48.4 | Very low | 46.4 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 54% | 0.539 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -85.7 | -19.9 | 175.7 | -68.6 | 170.8 | 0 | 0 | 0 | 112.5 | H192 P193 L198 | H192-L195 HydrophobicContact CB-CD1 4.5Å; H192-L195 PolarHBondContact O-N 3.42Å; H192-L195 VanDerWaalsContact O-N 3.08Å; P193-L195 PolarHBondContact O-N 2.93Å; L195-L198 PolarHBondContact O-N 3.17Å |
| 196 | R | 49.3 | Very low | 46.7 | Very low | 203 Ų | 203 | 133.3 Ų | 133.3 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.6 | -37 | -174.5 | -161.6 | 173.1 | -173.5 | 155.1 | 1.2 | 112 | P193 L198 R199 | P193-R196 VanDerWaalsContact O-CB 3.31Å; P193-R196 WeakPolarHBondContact O-CB 3.27Å; P193-R196 PolarHBondContact O-N 3.21Å; R196-L198 PolarHBondContact O-N 2.77Å; R196-R199 PolarHBondContact O-N 3.28Å |
| 197 | D | 46.5 | Very low | 46.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -22.6 | -179 | -68.9 | -20.8 | 0 | 0 | 0 | 113.4 | T200 | D197-T200 PolarHBondContact O-OG1 3.1Š|
| 198 | L | 46.9 | Very low | 47.2 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.2 | -20.6 | 175.7 | -77.7 | 87.3 | 0 | 0 | 0 | 113.2 | L194 L195 R196 T200 H201 | L194-L198 VanDerWaalsContact O-CD1 3.26Å; L194-L198 WeakPolarHBondContact O-CD1 3.33Å; L195-L198 PolarHBondContact O-N 3.17Å; R196-L198 PolarHBondContact O-N 2.77Å; L198-T200 PolarHBondContact O-N 3.47Å; L198-H201 PolarHBondContact O-N 3.2Å |
| 199 | R | 43.6 | Very low | 47.8 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 68% | 0.675 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -70.8 | -18.1 | -176.1 | -167.1 | 168.6 | 179.8 | 152 | -0.3 | 113.5 | R196 | R196-R199 PolarHBondContact O-N 3.28Š|
| 200 | T | 45.7 | Very low | 48.4 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 68% | 0.681 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -77.6 | -24.1 | 179.1 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | D197 L198 | D197-T200 PolarHBondContact O-OG1 3.1Å; L198-T200 PolarHBondContact O-N 3.47Å |
| 201 | H | 44.1 | Very low | 48.7 | Very low | 172 Ų | 172 | 123.9 Ų | 123.9 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -103.6 | 50.2 | 177.1 | -81.3 | -84.2 | 0 | 0 | 0 | 112.8 | L198 G203 | L198-H201 PolarHBondContact O-N 3.2Å; H201-G203 PolarHBondContact O-N 2.87Å |
| 202 | R | 45.9 | Very low | 49.5 | Very low | 223 Ų | 223 | 120.7 Ų | 120.7 | 84% | 0.842 | 63% | 0.63 | S | S | * | * | trans | -72.7 | 88.7 | 173.8 | -178.6 | 175.8 | -89.4 | -118 | -1.4 | 111.1 | ||||
| 203 | G | 43.8 | Very low | 50.5 | Low | 54 Ų | 54 | 120.9 Ų | 120.9 | 56% | 0.557 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -151.7 | 97.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | H201 H205 | H201-G203 PolarHBondContact O-N 2.87Å; G203-H205 PolarHBondContact O-N 3.24Å |
| 204 | N | 50.8 | Low | 50.9 | Low | 168 Ų | 168 | 117.9 Ų | 117.9 | 90% | 0.898 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 50.7 | 28.8 | 153.2 | -65.6 | -4.3 | 0 | 0 | 0 | 121.4 | ||
| 205 | H | 48.5 | Very low | 51.5 | Low | 118 Ų | 118 | 113.4 Ų | 113.4 | 55% | 0.546 | 60% | 0.601 | S | S | . | * | trans | -140.8 | 69.6 | 171.2 | -89.9 | -67.3 | 0 | 0 | 0 | 115.3 | G203 Q207 N208 N209 | G203-H205 PolarHBondContact O-N 3.24Å; H205-Q207 VanDerWaalsContact C-N 3.29Å; H205-Q207 PolarHBondContact O-N 3.29Å; H205-N208 HydrophobicContact CB-CB 4.17Å; H205-N208 VanDerWaalsContact CG-ND2 3.34Å; H205-N208 PolarHBondContact ND1-ND2 3.09Å; H205-N208 PolarHBondContact O-N 2.86Å; H205-N209 PolarHBondContact O-ND2 3.24Å | ||
| 206 | A | 51 | Low | 52.2 | Low | 93 Ų | 93 | 114.4 Ų | 114.4 | 77% | 0.769 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -58.5 | -37.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N208 N209 | A206-N208 PolarHBondContact O-N 3.36Å; A206-N209 PolarHBondContact O-N 3.44Å |
| 207 | Q | 47.6 | Very low | 53.2 | Low | 169 Ų | 169 | 108 Ų | 108 | 79% | 0.79 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.1 | -29.6 | -178.8 | -70.9 | -71.6 | -7.2 | 0 | 0 | 114.1 | H205 | H205-Q207 VanDerWaalsContact C-N 3.29Å; H205-Q207 PolarHBondContact O-N 3.29Å |
| 208 | N | 51.5 | Low | 53.9 | Low | 76 Ų | 76 | 106.2 Ų | 106.2 | 41% | 0.406 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -81.2 | -21.5 | -176.9 | -62.3 | -6.4 | 0 | 0 | 0 | 112.5 | H205 A206 A210 A211 E212 | H205-N208 HydrophobicContact CB-CB 4.17Å; H205-N208 VanDerWaalsContact CG-ND2 3.34Å; H205-N208 PolarHBondContact ND1-ND2 3.09Å; H205-N208 PolarHBondContact O-N 2.86Å; A206-N208 PolarHBondContact O-N 3.36Å; N208-A210 PolarHBondContact O-N 3.02Å; N208-A211 PolarHBondContact O-N 3.49Å; N208-E212 WeakPolarHBondContact O-CB 3.39Å; N208-E212 PolarHBondContact O-N 2.88Å |
| 209 | N | 55.5 | Low | 54.4 | Low | 73 Ų | 73 | 106 Ų | 106 | 39% | 0.39 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.9 | -40.9 | -174.5 | -82.5 | -87.1 | 0 | 0 | 0 | 112.7 | H205 A206 L213 | H205-N209 PolarHBondContact O-ND2 3.24Å; A206-N209 PolarHBondContact O-N 3.44Å; N209-L213 WeakPolarHBondContact O-CB 3.26Å; N209-L213 PolarHBondContact O-N 3.29Å |
| 210 | A | 56.4 | Low | 55 | Low | 71 Ų | 71 | 101.5 Ų | 101.5 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.8 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N208 L213 A214 | N208-A210 PolarHBondContact O-N 3.02Å; A210-L213 PolarHBondContact O-N 3.39Å; A210-A214 WeakPolarHBondContact O-CB 3.22Å; A210-A214 PolarHBondContact O-N 3.46Å |
| 211 | A | 55.9 | Low | 55.3 | Low | 65 Ų | 65 | 100.9 Ų | 100.9 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.1 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | N208 A214 A215 | N208-A211 PolarHBondContact O-N 3.49Å; A211-A214 PolarHBondContact O-N 2.98Å; A211-A215 VanDerWaalsContact O-CB 3.32Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 2.99Å |
| 212 | E | 61.5 | Low | 55.4 | Low | 97 Ų | 97 | 101.5 Ų | 101.5 | 45% | 0.453 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.2 | -39.4 | 172.4 | -87 | -162.7 | 86.6 | 0 | 0 | 112.4 | N208 A215 K216 | N208-E212 WeakPolarHBondContact O-CB 3.39Å; N208-E212 PolarHBondContact O-N 2.88Å; E212-A215 PolarHBondContact O-N 2.73Å; E212-K216 VanDerWaalsContact O-CB 3.31Å; E212-K216 WeakPolarHBondContact O-CB 3.46Å; E212-K216 VanDerWaalsContact O-CG 3.27Å; E212-K216 WeakPolarHBondContact O-CG 3.4Å; E212-K216 PolarHBondContact O-N 3.01Å; E212-K216 WeakPolarHBondContact OE1-CE 3.4Å; E212-K216 IonicContact OE1-NZ 3.59Å; E212-K216 PolarHBondContact OE1-NZ 3.05Å |
| 213 | L | 66.8 | Low | 55.7 | Low | 104 Ų | 104 | 93 Ų | 93 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.6 | -47.4 | 177 | 179 | 61.5 | 0 | 0 | 0 | 110.5 | N209 A210 A215 K216 I217 | N209-L213 WeakPolarHBondContact O-CB 3.26Å; N209-L213 PolarHBondContact O-N 3.29Å; A210-L213 PolarHBondContact O-N 3.39Å; L213-A215 PolarHBondContact O-N 3.03Å; L213-K216 PolarHBondContact O-N 3.24Å; L213-I217 HydrophobicContact CD1-CD1 3.89Å; L213-I217 HydrophobicContact CD1-CG1 4.26Å; L213-I217 HydrophobicContact CG-CD1 3.84Å; L213-I217 WeakPolarHBondContact O-CB 3.37Å; L213-I217 VanDerWaalsContact O-CG1 3.24Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 2.89Å |
| 214 | A | 62.9 | Low | 56 | Low | 31 Ų | 31 | 92.6 Ų | 92.6 | 26% | 0.256 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A210 A211 K216 I217 L218 | A210-A214 WeakPolarHBondContact O-CB 3.22Å; A210-A214 PolarHBondContact O-N 3.46Å; A211-A214 PolarHBondContact O-N 2.98Å; A214-K216 PolarHBondContact O-N 3.14Å; A214-I217 PolarHBondContact O-N 3.16Å; A214-L218 WeakPolarHBondContact O-CB 3.31Å; A214-L218 VanDerWaalsContact O-CG 3.22Å; A214-L218 WeakPolarHBondContact O-CG 3.37Å; A214-L218 PolarHBondContact O-N 3.01Å |
| 215 | A | 59.1 | Low | 56.2 | Low | 52 Ų | 52 | 92.9 Ų | 92.9 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A211 E212 L213 S219 | A211-A215 VanDerWaalsContact O-CB 3.32Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 2.99Å; E212-A215 PolarHBondContact O-N 2.73Å; L213-A215 PolarHBondContact O-N 3.03Å; A215-S219 VanDerWaalsContact O-CB 3.3Å; A215-S219 WeakPolarHBondContact O-CB 3.48Å; A215-S219 PolarHBondContact O-N 3.26Å; A215-S219 PolarHBondContact O-OG 3.26Å |
| 216 | K | 62.7 | Low | 56.6 | Low | 123 Ų | 123 | 93.5 Ų | 93.5 | 54% | 0.535 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.4 | -39.6 | 177.1 | -75.4 | 168.6 | -173.7 | 163.1 | 0 | 112.3 | E212 L213 A214 S219 A220 | E212-K216 VanDerWaalsContact O-CB 3.31Å; E212-K216 WeakPolarHBondContact O-CB 3.46Å; E212-K216 VanDerWaalsContact O-CG 3.27Å; E212-K216 WeakPolarHBondContact O-CG 3.4Å; E212-K216 PolarHBondContact O-N 3.01Å; E212-K216 WeakPolarHBondContact OE1-CE 3.4Å; E212-K216 IonicContact OE1-NZ 3.59Å; E212-K216 PolarHBondContact OE1-NZ 3.05Å; L213-K216 PolarHBondContact O-N 3.24Å; A214-K216 PolarHBondContact O-N 3.14Å; K216-S219 PolarHBondContact O-N 3.03Å; K216-A220 WeakPolarHBondContact O-CB 3.3Å; K216-A220 PolarHBondContact O-N 3.01Å |
| 217 | I | 70.8 | Confident | 56.6 | Low | 68 Ų | 68 | 94.2 Ų | 94.2 | 35% | 0.349 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 172.3 | -69.6 | 166.2 | 0 | 0 | 0 | 110 | L213 A214 S219 A220 L221 | L213-I217 HydrophobicContact CD1-CD1 3.89Å; L213-I217 HydrophobicContact CD1-CG1 4.26Å; L213-I217 HydrophobicContact CG-CD1 3.84Å; L213-I217 WeakPolarHBondContact O-CB 3.37Å; L213-I217 VanDerWaalsContact O-CG1 3.24Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 2.89Å; A214-I217 PolarHBondContact O-N 3.16Å; I217-S219 VanDerWaalsContact C-N 3.3Å; I217-S219 PolarHBondContact O-N 3.28Å; I217-A220 PolarHBondContact O-N 3.33Å; I217-L221 HydrophobicContact CG2-CD1 3.92Å; I217-L221 VanDerWaalsContact O-CG 3.3Å; I217-L221 WeakPolarHBondContact O-CG 3.48Å; I217-L221 PolarHBondContact O-N 2.79Å; I217-L221 VanDerWaalsContact O-N 3.12Å |
| 218 | L | 61.7 | Low | 56.8 | Low | 87 Ų | 87 | 91.2 Ų | 91.2 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -33.2 | 178.4 | -69.1 | 168.8 | 0 | 0 | 0 | 112.9 | A214 | A214-L218 WeakPolarHBondContact O-CB 3.31Å; A214-L218 VanDerWaalsContact O-CG 3.22Å; A214-L218 WeakPolarHBondContact O-CG 3.37Å; A214-L218 PolarHBondContact O-N 3.01Å |
| 219 | S | 57.9 | Low | 56.7 | Low | 92 Ų | 92 | 89.7 Ų | 89.7 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.2 | -35.9 | 174.5 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | A215 K216 I217 L221 | A215-S219 VanDerWaalsContact O-CB 3.3Å; A215-S219 WeakPolarHBondContact O-CB 3.48Å; A215-S219 PolarHBondContact O-N 3.26Å; A215-S219 PolarHBondContact O-OG 3.26Å; K216-S219 PolarHBondContact O-N 3.03Å; I217-S219 VanDerWaalsContact C-N 3.3Å; I217-S219 PolarHBondContact O-N 3.28Å; S219-L221 VanDerWaalsContact C-N 3.29Å; S219-L221 PolarHBondContact O-N 2.83Å |
| 220 | A | 54.8 | Low | 56.5 | Low | 85 Ų | 85 | 93.7 Ų | 93.7 | 70% | 0.702 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.7 | -22.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K216 I217 H222 | K216-A220 WeakPolarHBondContact O-CB 3.3Å; K216-A220 PolarHBondContact O-N 3.01Å; I217-A220 PolarHBondContact O-N 3.33Å; A220-H222 VanDerWaalsContact C-N 3.27Å; A220-H222 PolarHBondContact O-N 3.28Å |
| 221 | L | 52.4 | Low | 56.2 | Low | 97 Ų | 97 | 95.3 Ų | 95.3 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 4.8 | -179.3 | -74.8 | 167.4 | 0 | 0 | 0 | 115.1 | I217 S219 | I217-L221 HydrophobicContact CG2-CD1 3.92Å; I217-L221 VanDerWaalsContact O-CG 3.3Å; I217-L221 WeakPolarHBondContact O-CG 3.48Å; I217-L221 PolarHBondContact O-N 2.79Å; I217-L221 VanDerWaalsContact O-N 3.12Å; S219-L221 VanDerWaalsContact C-N 3.29Å; S219-L221 PolarHBondContact O-N 2.83Å |
| 222 | H | 45.8 | Very low | 55.9 | Low | 186 Ų | 186 | 99 Ų | 99 | 86% | 0.861 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 61.6 | 70.4 | 169.3 | -148.5 | 99.3 | 0 | 0 | 0 | 115.1 | A220 | A220-H222 VanDerWaalsContact C-N 3.27Å; A220-H222 PolarHBondContact O-N 3.28Å |
| 223 | G | 52 | Low | 55.4 | Low | 44 Ų | 44 | 103.5 Ų | 103.5 | 45% | 0.454 | 56% | 0.555 | S | S | . | * | trans | 159.6 | 35.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E225 E226 | G223-E225 PolarHBondContact O-N 3.29Å; G223-E226 PolarHBondContact O-N 3.43Å | ||
| 224 | G | 51.5 | Low | 54.4 | Low | 46 Ų | 46 | 104.4 Ų | 104.4 | 47% | 0.474 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | -10 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 225 | E | 55.1 | Low | 53.5 | Low | 173 Ų | 173 | 105.9 Ų | 105.9 | 81% | 0.808 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -30.3 | -179.3 | 59.9 | -159.7 | 139 | 0 | 0 | 114 | G223 A229 | G223-E225 PolarHBondContact O-N 3.29Å; E225-A229 WeakPolarHBondContact O-CB 3.21Å; E225-A229 PolarHBondContact O-N 3.12Å |
| 226 | E | 54.8 | Low | 52.7 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -78.7 | -38.5 | -176.1 | -167.1 | 179.3 | 163.4 | 0 | 0 | 112.6 | G223 A229 R230 | G223-E226 PolarHBondContact O-N 3.43Å; E226-A229 PolarHBondContact O-N 3.16Å; E226-R230 HydrophobicContact CG-CG 4.49Å; E226-R230 WeakPolarHBondContact O-CG 3.47Å; E226-R230 PolarHBondContact O-N 3.28Å |
| 227 | L | 52.1 | Low | 51.7 | Low | 108 Ų | 108 | 111 Ų | 111 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -37.4 | -174.6 | -150.1 | 153.3 | 0 | 0 | 0 | 111.8 | R230 L231 | L227-R230 PolarHBondContact O-N 3.27Å; L227-L231 PolarHBondContact O-N 3.35Å |
| 228 | L | 51.6 | Low | 50 | Low | 107 Ų | 107 | 111 Ų | 111 | 56% | 0.56 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.9 | -42 | 171.2 | -76.9 | 170 | 0 | 0 | 0 | 112.1 | R230 L231 Q232 | L228-R230 VanDerWaalsContact C-N 3.28Å; L228-R230 PolarHBondContact O-N 2.82Å; L228-L231 PolarHBondContact O-N 3.11Å; L228-Q232 WeakPolarHBondContact O-CG 3.31Å; L228-Q232 PolarHBondContact O-N 2.89Å |
| 229 | A | 50.4 | Low | 49.2 | Very low | 44 Ų | 44 | 112.9 Ų | 112.9 | 36% | 0.364 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.7 | -29.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | E225 E226 R233 | E225-A229 WeakPolarHBondContact O-CB 3.21Å; E225-A229 PolarHBondContact O-N 3.12Å; E226-A229 PolarHBondContact O-N 3.16Å; A229-R233 WeakPolarHBondContact O-CG 3.23Å; A229-R233 PolarHBondContact O-N 2.71Å |
| 230 | R | 50.7 | Low | 48.3 | Very low | 156 Ų | 156 | 115 Ų | 115 | 59% | 0.589 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.2 | -40.2 | 172.1 | -71.1 | 176.5 | 71.3 | -166.5 | 1.9 | 111.9 | E226 L227 L228 Q232 R233 V234 | E226-R230 HydrophobicContact CG-CG 4.49Å; E226-R230 WeakPolarHBondContact O-CG 3.47Å; E226-R230 PolarHBondContact O-N 3.28Å; L227-R230 PolarHBondContact O-N 3.27Å; L228-R230 VanDerWaalsContact C-N 3.28Å; L228-R230 PolarHBondContact O-N 2.82Å; R230-Q232 PolarHBondContact O-N 3.47Å; R230-R233 PolarHBondContact O-N 2.84Å; R230-V234 PolarHBondContact O-N 3.23Å |
| 231 | L | 49.5 | Very low | 47.4 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 56% | 0.555 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.7 | -44.4 | 175.4 | -132.9 | 81.3 | 0 | 0 | 0 | 112 | L227 L228 R233 V234 | L227-L231 PolarHBondContact O-N 3.35Å; L228-L231 PolarHBondContact O-N 3.11Å; L231-R233 VanDerWaalsContact C-N 3.3Å; L231-R233 PolarHBondContact O-N 2.87Å; L231-V234 PolarHBondContact O-N 2.92Å |
| 232 | Q | 50.9 | Low | 46.5 | Very low | 141 Ų | 141 | 113.5 Ų | 113.5 | 66% | 0.659 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -66.1 | -28.3 | 179.3 | -71.9 | 179.7 | -8.6 | 0 | 0 | 113.7 | L228 R230 H236 | L228-Q232 WeakPolarHBondContact O-CG 3.31Å; L228-Q232 PolarHBondContact O-N 2.89Å; R230-Q232 PolarHBondContact O-N 3.47Å; Q232-H236 PolarHBondContact O-ND1 2.93Å |
| 233 | R | 50.6 | Low | 45.9 | Very low | 193 Ų | 193 | 112 Ų | 112 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80.6 | -18.4 | 178.4 | -77.2 | -162.9 | -70 | 164.3 | -5.2 | 114.6 | A229 R230 L231 G235 | A229-R233 WeakPolarHBondContact O-CG 3.23Å; A229-R233 PolarHBondContact O-N 2.71Å; R230-R233 PolarHBondContact O-N 2.84Å; L231-R233 VanDerWaalsContact C-N 3.3Å; L231-R233 PolarHBondContact O-N 2.87Å; R233-G235 VanDerWaalsContact C-N 3.29Å |
| 234 | V | 44.6 | Very low | 45.1 | Very low | 123 Ų | 123 | 116.3 Ų | 116.3 | 75% | 0.745 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -74.1 | -21.7 | 173 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | R230 L231 | R230-V234 PolarHBondContact O-N 3.23Å; L231-V234 PolarHBondContact O-N 2.92Å |
| 235 | G | 44.2 | Very low | 44.2 | Very low | 61 Ų | 61 | 117.2 Ų | 117.2 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -0.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | R233 | R233-G235 VanDerWaalsContact C-N 3.29Š|
| 236 | H | 42.9 | Very low | 43.1 | Very low | 166 Ų | 166 | 117.8 Ų | 117.8 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | -134.4 | 40.6 | -169.4 | -72.4 | 101.4 | 0 | 0 | 0 | 114.9 | Q232 G238 | Q232-H236 PolarHBondContact O-ND1 2.93Å; H236-G238 PolarHBondContact O-N 3.45Å | ||
| 237 | S | 41.2 | Very low | 42.3 | Very low | 117 Ų | 117 | 120.1 Ų | 120.1 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -92.6 | 82.5 | 166.6 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 238 | G | 34.4 | Very low | 41.7 | Very low | 68 Ų | 68 | 119.6 Ų | 119.6 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | 106 | 153.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H236 | H236-G238 PolarHBondContact O-N 3.45Š| ||
| 239 | P | 45.9 | Very low | 41.2 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | cis | -110.2 | 160.2 | 1.9 | 38 | -28 | 0 | 0 | 0 | 114.2 | ||||
| 240 | C | 38.1 | Very low | 40.4 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 91% | 0.912 | 76% | 0.764 | S | S | * | * | trans | -66 | 133 | 163 | -80.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 241 | G | 36.1 | Very low | 39.4 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -78.5 | 163.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 242 | G | 34.3 | Very low | 38.7 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -165 | 76.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 243 | D | 33.3 | Very low | 37.7 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 51.7 | 112 | 148.3 | -56.2 | -26.1 | 0 | 0 | 0 | 123.3 | ||||
| 244 | C | 35.4 | Very low | 37 | Very low | 136 Ų | 136 | 122 Ų | 122 | 92% | 0.919 | 81% | 0.807 | S | S | * | * | 68.6 | 148.6 | 129.1 | 84.7 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 245 | G | 31.2 | Very low | 36.4 | Very low | 65 Ų | 65 | 119.5 Ų | 119.5 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | trans | 148 | 50.2 | 171 | 0 | 0 | 0 | 0 | 0 | 117.1 | H247 | G245-H247 PolarHBondContact O-N 2.89Š| ||
| 246 | F | 32.7 | Very low | 36 | Very low | 185 Ų | 185 | 122.9 Ų | 122.9 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -81.4 | 105.1 | -178.3 | -147.7 | -79.4 | 0 | 0 | 0 | 112 | ||||
| 247 | H | 38.5 | Very low | 35.7 | Very low | 180 Ų | 180 | 126.4 Ų | 126.4 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | trans | -133.7 | 92.6 | 169.9 | -59.6 | -37.7 | 0 | 0 | 0 | 111.7 | G245 | G245-H247 PolarHBondContact O-N 2.89Š| ||
| 248 | S | 38.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 82% | 0.824 | S | S | * | * | trans | -79.8 | 120.6 | 164 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 249 | L | 41.1 | Very low | 35.3 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | -134.4 | 124.4 | 160 | -78.8 | 179.6 | 0 | 0 | 0 | 111.3 | ||||
| 250 | S | 33.1 | Very low | 34.6 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | -71.1 | 144.7 | 171.9 | 154.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 251 | G | 31.2 | Very low | 34.4 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | 169.8 | 104.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 252 | G | 33.8 | Very low | 34.6 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -80.7 | 154.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 253 | G | 30.3 | Very low | 34.6 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -176.1 | 133.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 254 | R | 36.4 | Very low | 35 | Very low | 253 Ų | 253 | 134.5 Ų | 134.5 | 96% | 0.955 | 82% | 0.822 | S | S | * | * | trans | -81.7 | 128.5 | 178 | -78.1 | 169 | 147 | -121.3 | 0.7 | 111.5 | ||||
| 255 | G | 31.5 | Very low | 35.5 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 58.8 | 131.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 256 | S | 35.2 | Very low | 35.7 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -172.6 | 157.2 | 130.8 | -85 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 257 | R | 36.5 | Very low | 35.9 | Very low | 239 Ų | 239 | 137.4 Ų | 137.4 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -89.7 | 147.1 | 176.4 | -60.7 | 173.9 | 173.4 | -139 | -0.9 | 111 | ||||
| 258 | S | 33.4 | Very low | 36.1 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | 173.3 | 129.7 | 121.9 | -81.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 259 | Y | 34.8 | Very low | 35.9 | Very low | 239 Ų | 239 | 136.3 Ų | 136.3 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | trans | 24.9 | 133.3 | 140.4 | -71.2 | -88.6 | 0 | 0 | 0 | 123.4 | ||||
| 260 | G | 31.3 | Very low | 35.4 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 158 | 113.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 261 | G | 33.3 | Very low | 35.7 | Very low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 89.3 | 115.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 262 | Q | 39.3 | Very low | 36 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | 57 | 117.1 | 54.3 | -49.4 | -88.2 | 61.6 | 0 | 0 | 109.8 | |||||
| 263 | D | 35.3 | Very low | 36 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | cis | -134.2 | 168.3 | 41.8 | -63.5 | -49.6 | 0 | 0 | 0 | 116.2 | ||||
| 264 | S | 42.4 | Very low | 36.5 | Very low | 87 Ų | 87 | 144 Ų | 144 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | -119.3 | 156.6 | 176.5 | -171 | 0 | 0 | 0 | 0 | 109.9 | C266 | S264-C266 PolarHBondContact OG-N 3.07Š| ||
| 265 | P | 44.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | -140.1 | 141.5 | 94.1 | 35.6 | -21.4 | 0 | 0 | 0 | 115 | |||||
| 266 | C | 34.8 | Very low | 37.3 | Very low | 107 Ų | 107 | 145 Ų | 145 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | -76.4 | 149.2 | 172.3 | -51.7 | 0 | 0 | 0 | 0 | 112.2 | S264 | S264-C266 PolarHBondContact OG-N 3.07Š| ||
| 267 | Y | 38.2 | Very low | 37.5 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -119.3 | 101.9 | 157.6 | -163.6 | -92.9 | 0 | 0 | 0 | 108.8 | M269 | Y267-M269 HydrophobicContact CD1-CG 4.3Å; Y267-M269 HydrophobicContact CE1-CG 3.69Å; Y267-M269 HydrophobicContact CE1-SD 4.38Å | ||
| 268 | S | 42.1 | Very low | 37.8 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -106.1 | 121.5 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 269 | M | 35 | Very low | 38 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -92.7 | 125.8 | 162.2 | -72.6 | -118 | 63.2 | 0 | 0 | 108.5 | Y267 | Y267-M269 HydrophobicContact CD1-CG 4.3Å; Y267-M269 HydrophobicContact CE1-CG 3.69Å; Y267-M269 HydrophobicContact CE1-SD 4.38Å | ||
| 270 | S | 30.7 | Very low | 38.9 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -103.5 | 130.2 | 176.1 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 271 | Y | 38.3 | Very low | 39.6 | Very low | 225 Ų | 225 | 138 Ų | 138 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -130.8 | 128.4 | 153.6 | -101.9 | -90.3 | 0 | 0 | 0 | 107.9 | ||||
| 272 | S | 38.6 | Very low | 40.1 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -84.6 | 126.7 | -171.2 | 49.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 273 | E | 34.4 | Very low | 40.2 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -75.4 | 139.7 | 155.5 | -71.3 | -157.3 | 139.3 | 0 | 0 | 110.7 | Y275 | E273-Y275 WeakPolarHBondContact OE2-CE2 3.4Š| ||
| 274 | T | 41.2 | Very low | 40.5 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -131.3 | 88.5 | 165.4 | -53.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 275 | Y | 42.3 | Very low | 41.1 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | trans | -75.3 | 133.4 | 168.4 | -91.8 | -96.5 | 0 | 0 | 0 | 110.8 | E273 | E273-Y275 WeakPolarHBondContact OE2-CE2 3.4Š| ||
| 276 | L | 40.6 | Very low | 40.6 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -143.3 | 119.2 | 150.4 | -78.2 | -178.1 | 0 | 0 | 0 | 109.4 | ||||
| 277 | S | 40.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -73 | 152.4 | 173 | -47.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 278 | P | 43.6 | Very low | 41.2 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -82.1 | 135.1 | 144 | -9 | 27.9 | 0 | 0 | 0 | 109.4 | ||||
| 279 | G | 37.4 | Very low | 41 | Very low | 74 Ų | 74 | 144.7 Ų | 144.7 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | -86.3 | 176 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 280 | E | 52.2 | Low | 41 | Very low | 183 Ų | 183 | 146.3 Ų | 146.3 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -60.3 | 152.6 | 162.3 | 63.3 | -152.2 | 150.2 | 0 | 0 | 112.6 | ||||
| 281 | D | 46.6 | Very low | 41 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | 178.3 | 154.4 | 146.2 | -91 | -25.5 | 0 | 0 | 0 | 111 | ||||
| 282 | D | 44.8 | Very low | 40.9 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -93.8 | 165.1 | -157.1 | -67.4 | -64.7 | 0 | 0 | 0 | 119 | ||||
| 283 | D | 41.2 | Very low | 40.6 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 54.8 | 100.1 | 141.1 | -73.6 | -27 | 0 | 0 | 0 | 124.7 | ||||
| 284 | T | 41.9 | Very low | 40.3 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 64.8 | 172.2 | 132.7 | 68.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 285 | P | 55.2 | Low | 39.8 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | -131.5 | -178.7 | -61.7 | 39.5 | -23.9 | 0 | 0 | 0 | 114.5 | |||||
| 286 | C | 33.1 | Very low | 39.3 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | 75.1 | 135.8 | 167.2 | -48.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 287 | K | 42.1 | Very low | 39 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | -163.1 | 162.9 | 53.1 | -87.2 | -175.2 | 173.1 | 172.6 | 0 | 113.6 | |||||
| 288 | D | 43.9 | Very low | 38.8 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -73.1 | 146.6 | 174.9 | -25.4 | -91 | 0 | 0 | 0 | 112.6 | ||||
| 289 | Y | 36.7 | Very low | 38.2 | Very low | 210 Ų | 210 | 142.6 Ų | 142.6 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -152.7 | 134.1 | 141.5 | -164.6 | -104.9 | 0 | 0 | 0 | 112 | ||||
| 290 | E | 36.4 | Very low | 37.9 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -111.7 | 143.3 | -178 | 178.3 | -179.8 | -174.8 | 0 | 0 | 109.7 | ||||
| 291 | G | 30.4 | Very low | 37 | Very low | 56 Ų | 56 | 142.5 Ų | 142.5 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | trans | 99.1 | 153.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 292 | T | 37 | Very low | 36.3 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | cis | -143.9 | 154 | 16.1 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 293 | V | 30.7 | Very low | 35.9 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -44.2 | 146.2 | 157.8 | 168.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 294 | C | 29.5 | Very low | 35.6 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | -176.5 | 119.3 | 133.3 | -92.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 295 | Q | 30.1 | Very low | 35.6 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | 54.2 | 111.3 | 93.9 | -72.8 | -172.8 | -52.6 | 0 | 0 | 113 | |||||
| 296 | E | 32.6 | Very low | 35.4 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | 76.2 | 106.6 | 57.2 | -167.9 | 171.2 | 177.6 | 0 | 0 | 112 | |||||
| 297 | E | 32.9 | Very low | 36.2 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 76.5 | 145.9 | 165.1 | -31.6 | -136.7 | 107.4 | 0 | 0 | 122.5 | ||||
| 298 | A | 35.9 | Very low | 36.3 | Very low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | 94.9 | 109.1 | 135.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 299 | E | 32.3 | Very low | 36 | Very low | 198 Ų | 198 | 142 Ų | 142 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | 78.8 | 130.3 | 134.5 | -64.1 | -176.3 | 169.7 | 0 | 0 | 122 | ||||
| 300 | G | 31.3 | Very low | 36.2 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | trans | 126.1 | 119.2 | 144 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 301 | Q | 32.1 | Very low | 36.7 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | 30.9 | 117.5 | 160.7 | -80.5 | 74.4 | 6.6 | 0 | 0 | 118.1 | ||||
| 302 | G | 32.3 | Very low | 37.4 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | cis | 105.9 | 88.8 | 33.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 303 | V | 37 | Very low | 37.9 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 96% | 0.964 | 78% | 0.78 | S | S | * | * | trans | -178.6 | 148.3 | 136.4 | -91 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 304 | G | 34.7 | Very low | 38.6 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | 156.4 | 72.7 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 305 | Y | 41.1 | Very low | 39.2 | Very low | 232 Ų | 232 | 149.1 Ų | 149.1 | 91% | 0.91 | 78% | 0.784 | S | S | * | * | trans | -137.6 | 154.5 | 169.4 | -96 | -88.8 | 0 | 0 | 0 | 111.4 | ||||
| 306 | P | 50.4 | Low | 39.9 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | trans | -83.4 | 166.2 | -165.4 | -8.8 | 27.6 | 0 | 0 | 0 | 115 | ||||
| 307 | P | 51 | Low | 40.6 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -87.3 | 151 | -169.3 | 36.6 | -35.6 | 0 | 0 | 0 | 113.5 | ||||
| 308 | D | 43.2 | Very low | 41.5 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | 167.4 | 66.1 | 138.8 | -87.1 | -14.1 | 0 | 0 | 0 | 110.4 | ||||
| 309 | Y | 37.9 | Very low | 42 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | -147.3 | 101.4 | 156.3 | -138.2 | -92.1 | 0 | 0 | 0 | 110.2 | P311 | Y309-P311 WeakPolarHBondContact O-CD 3.25Š| ||
| 310 | D | 41.4 | Very low | 42.7 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | trans | -80.8 | 119 | 178.2 | -173.1 | -0.8 | 0 | 0 | 0 | 110 | H312 | D310-H312 PolarHBondContact O-N 3.2Å; D310-H312 WeakPolarHBondContact OD1-CA 3.48Å; D310-H312 VanDerWaalsContact OD1-CB 3.25Å; D310-H312 WeakPolarHBondContact OD1-CB 3.41Å; D310-H312 IonicContact OD1-CD2 3.24Å; D310-H312 PolarHBondContact OD1-CD2 3.08Å; D310-H312 VanDerWaalsContact OD1-CD2 3.24Å; D310-H312 IonicContact OD1-CG 3.33Å; D310-H312 PolarHBondContact OD1-N 2.89Å | ||
| 311 | P | 46.2 | Very low | 43.5 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -72.4 | -15.7 | 172.8 | -14.8 | 31.2 | 0 | 0 | 0 | 112.6 | Y309 R313 | Y309-P311 WeakPolarHBondContact O-CD 3.25Å; P311-R313 PolarHBondContact O-N 2.92Å; P311-R313 VanDerWaalsContact O-N 3.16Å | ||
| 312 | H | 45.8 | Very low | 44.1 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -81 | 95.6 | 177.5 | -57.2 | -72.7 | 0 | 0 | 0 | 110.4 | D310 | D310-H312 PolarHBondContact O-N 3.2Å; D310-H312 WeakPolarHBondContact OD1-CA 3.48Å; D310-H312 VanDerWaalsContact OD1-CB 3.25Å; D310-H312 WeakPolarHBondContact OD1-CB 3.41Å; D310-H312 IonicContact OD1-CD2 3.24Å; D310-H312 PolarHBondContact OD1-CD2 3.08Å; D310-H312 VanDerWaalsContact OD1-CD2 3.24Å; D310-H312 IonicContact OD1-CG 3.33Å; D310-H312 PolarHBondContact OD1-N 2.89Å | ||
| 313 | R | 47.6 | Very low | 44.6 | Very low | 227 Ų | 227 | 138.5 Ų | 138.5 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | 173.9 | 87 | 128.5 | -174.5 | 178.7 | -168.7 | -149.8 | 4.3 | 111.9 | P311 | P311-R313 PolarHBondContact O-N 2.92Å; P311-R313 VanDerWaalsContact O-N 3.16Å | |||
| 314 | R | 46.2 | Very low | 45 | Very low | 240 Ų | 240 | 136.9 Ų | 136.9 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | trans | -139.9 | 80 | 136 | -64.5 | -161.1 | 108.2 | -121.6 | -0.9 | 108.9 | S316 | R314-S316 PolarHBondContact O-N 2.78Š| ||
| 315 | V | 41.5 | Very low | 45.6 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | trans | -55.9 | 127.2 | 156.5 | -71.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 316 | S | 44.8 | Very low | 45.5 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -110.8 | 94.8 | 158.3 | 48.2 | 0 | 0 | 0 | 0 | 104.7 | R314 V318 | R314-S316 PolarHBondContact O-N 2.78Å; S316-V318 PolarHBondContact O-N 3.33Å | ||
| 317 | D | 48.1 | Very low | 45.3 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -65.6 | 99.3 | -175.9 | -58.2 | -61.7 | 0 | 0 | 0 | 108.9 | A319 | D317-A319 PolarHBondContact O-N 2.94Å; D317-A319 VanDerWaalsContact O-N 3.08Å | ||
| 318 | V | 50 | Low | 45.4 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -71 | 103.4 | 164.7 | -176.8 | 0 | 0 | 0 | 0 | 105.8 | S316 S320 | S316-V318 PolarHBondContact O-N 3.33Å; V318-S320 VanDerWaalsContact C-N 3.25Å; V318-S320 PolarHBondContact O-N 3.19Å | ||
| 319 | A | 48.1 | Very low | 45.6 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -67.1 | 83.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D317 S321 | D317-A319 PolarHBondContact O-N 2.94Å; D317-A319 VanDerWaalsContact O-N 3.08Å; A319-S321 VanDerWaalsContact C-N 3.32Å; A319-S321 PolarHBondContact O-N 3.36Å | ||
| 320 | S | 46.7 | Very low | 46.2 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -60.2 | 98.4 | 159.4 | -77.6 | 0 | 0 | 0 | 0 | 107.9 | V318 G322 | V318-S320 VanDerWaalsContact C-N 3.25Å; V318-S320 PolarHBondContact O-N 3.19Å; S320-G322 VanDerWaalsContact C-N 3.3Å; S320-G322 PolarHBondContact O-N 3.44Å | ||
| 321 | S | 47.3 | Very low | 46.3 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -64.2 | 95.1 | 168.3 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | A319 V323 | A319-S321 VanDerWaalsContact C-N 3.32Å; A319-S321 PolarHBondContact O-N 3.36Å; S321-V323 PolarHBondContact O-N 3.16Å | ||
| 322 | G | 45.9 | Very low | 46.2 | Very low | 66 Ų | 66 | 145.8 Ų | 145.8 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | -67.5 | 109.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | S320 V324 | S320-G322 VanDerWaalsContact C-N 3.3Å; S320-G322 PolarHBondContact O-N 3.44Å; G322-V324 PolarHBondContact O-N 2.83Å | ||
| 323 | V | 41.9 | Very low | 46.3 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -70.4 | 119.1 | 163.1 | -73.6 | 0 | 0 | 0 | 0 | 107.7 | S321 S325 | S321-V323 PolarHBondContact O-N 3.16Å; V323-S325 PolarHBondContact O-N 3.17Å | ||
| 324 | V | 46.1 | Very low | 46.3 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -68.9 | 124.4 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 107.9 | G322 L326 | G322-V324 PolarHBondContact O-N 2.83Å; V324-L326 PolarHBondContact O-N 3.44Å | ||
| 325 | S | 46.9 | Very low | 46.2 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -62.9 | 113.1 | 158 | -56.8 | 0 | 0 | 0 | 0 | 107 | V323 D327 | V323-S325 PolarHBondContact O-N 3.17Å; S325-D327 PolarHBondContact O-N 3.13Å | ||
| 326 | L | 39.6 | Very low | 46.6 | Very low | 149 Ų | 149 | 146 Ų | 146 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -75.3 | 116.2 | 157.8 | -77.4 | 170.2 | 0 | 0 | 0 | 106.2 | V324 E328 | V324-L326 PolarHBondContact O-N 3.44Å; L326-E328 PolarHBondContact O-N 3.24Å; L326-E328 VanDerWaalsContact O-N 3.17Å | ||
| 327 | D | 44.3 | Very low | 47 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -68.5 | 104.4 | 163.2 | -69.4 | -53 | 0 | 0 | 0 | 107 | S325 E329 | S325-D327 PolarHBondContact O-N 3.13Å; D327-E329 PolarHBondContact O-N 3.45Å; D327-E329 VanDerWaalsContact O-N 3.13Å | ||
| 328 | E | 53.8 | Low | 47.1 | Very low | 195 Ų | 195 | 154.3 Ų | 154.3 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -80.3 | 76.2 | 168.1 | -71 | -179.5 | 171 | 0 | 0 | 108.4 | L326 | L326-E328 PolarHBondContact O-N 3.24Å; L326-E328 VanDerWaalsContact O-N 3.17Å | ||
| 329 | E | 48 | Very low | 47 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -129.9 | 137.2 | 171.3 | -158.3 | 165 | -128.7 | 0 | 0 | 108.4 | D327 | D327-E329 PolarHBondContact O-N 3.45Å; D327-E329 VanDerWaalsContact O-N 3.13Å | ||
| 330 | E | 51.2 | Low | 46.8 | Very low | 170 Ų | 170 | 157.7 Ų | 157.7 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | 73.9 | 62.6 | 174.2 | -149.4 | 171.3 | -136.3 | 0 | 0 | 118 | ||||
| 331 | E | 42.2 | Very low | 46.9 | Very low | 206 Ų | 206 | 161.3 Ų | 161.3 | 96% | 0.963 | 83% | 0.831 | S | S | * | * | trans | -113.9 | 69.2 | 142.2 | -134.4 | 177.6 | -150.2 | 0 | 0 | 108.4 | E333 | E331-E333 PolarHBondContact O-N 3.29Å; E331-E333 VanDerWaalsContact O-N 3.11Å | ||
| 332 | E | 45 | Very low | 47.2 | Very low | 168 Ų | 168 | 161.7 Ų | 161.7 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -68 | 103.1 | 174 | -74.7 | -167.2 | 157 | 0 | 0 | 110.4 | E334 | E332-E334 PolarHBondContact O-N 3.11Š| ||
| 333 | E | 46.6 | Very low | 47 | Very low | 177 Ų | 177 | 165.9 Ų | 165.9 | 83% | 0.827 | 84% | 0.837 | S | S | * | * | trans | 40.5 | 55.4 | 137.4 | -56.5 | -169.2 | 159.1 | 0 | 0 | 118 | E331 L335 | E331-E333 PolarHBondContact O-N 3.29Å; E331-E333 VanDerWaalsContact O-N 3.11Å; E333-L335 PolarHBondContact O-N 2.83Å | ||
| 334 | E | 47.6 | Very low | 47 | Very low | 198 Ų | 198 | 166.2 Ų | 166.2 | 93% | 0.925 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 52.6 | 154.8 | -157.5 | -177.7 | -135.6 | 0 | 0 | 110.7 | E332 | E332-E334 PolarHBondContact O-N 3.11Š|
| 335 | L | 45.2 | Very low | 46.9 | Very low | 157 Ų | 157 | 172.6 Ų | 172.6 | 82% | 0.822 | 86% | 0.856 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.7 | 24.9 | 177.7 | -77.1 | -179.8 | 0 | 0 | 0 | 113.1 | E333 E337 | E333-L335 PolarHBondContact O-N 2.83Å; L335-E337 PolarHBondContact O-N 3.04Å |
| 336 | E | 49.3 | Very low | 46.9 | Very low | 202 Ų | 202 | 176.2 Ų | 176.2 | 94% | 0.944 | 86% | 0.863 | S | S | * | * | trans | -87.5 | 41.5 | 163.3 | -152.3 | 177.1 | -149.1 | 0 | 0 | 112.4 | ||||
| 337 | E | 53 | Low | 47.3 | Very low | 179 Ų | 179 | 177.6 Ų | 177.6 | 84% | 0.836 | 87% | 0.868 | S | S | * | * | S | Bend | trans | -124.3 | 119.9 | 157.3 | -165.6 | -179.1 | 178.5 | 0 | 0 | 109.2 | L335 | L335-E337 PolarHBondContact O-N 3.04Š|
| 338 | R | 50.6 | Low | 47.4 | Very low | 240 Ų | 240 | 179.3 Ų | 179.3 | 91% | 0.906 | 87% | 0.872 | S | S | * | * | S | Bend | trans | 86 | 69.6 | 170.1 | -158.3 | -169.1 | -166.7 | 157 | 6.4 | 118.1 | ||
| 339 | A | 47.3 | Very low | 47 | Very low | 95 Ų | 95 | 178.4 Ų | 178.4 | 79% | 0.785 | 87% | 0.87 | S | S | * | * | -170.7 | 98.3 | 120.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 340 | E | 43.8 | Very low | 47 | Very low | 202 Ų | 202 | 178.1 Ų | 178.1 | 94% | 0.944 | 87% | 0.871 | S | S | * | * | trans | -170.9 | 96.1 | 136 | -108.9 | 177 | -173.8 | 0 | 0 | 112.9 | ||||
| 341 | E | 49.6 | Very low | 46.7 | Very low | 188 Ų | 188 | 178.7 Ų | 178.7 | 88% | 0.879 | 88% | 0.876 | S | S | * | * | trans | -116.1 | 160.5 | 145.3 | -93.5 | -165.3 | 152.9 | 0 | 0 | 106.4 | ||||
| 342 | P | 53.2 | Low | 47 | Very low | 115 Ų | 115 | 176.7 Ų | 176.7 | 75% | 0.747 | 87% | 0.87 | S | S | * | * | cis | -131.6 | 163.4 | -30.6 | 37.7 | -23.9 | 0 | 0 | 0 | 111.7 | ||||
| 343 | N | 41.3 | Very low | 47.2 | Very low | 155 Ų | 155 | 177.4 Ų | 177.4 | 83% | 0.829 | 88% | 0.877 | S | S | * | * | trans | -150.2 | 151.3 | 152.8 | -146.1 | -10.2 | 0 | 0 | 0 | 115.1 | ||||
| 344 | N | 43.2 | Very low | 47.2 | Very low | 140 Ų | 140 | 177.4 Ų | 177.4 | 75% | 0.749 | 88% | 0.881 | S | S | * | * | trans | -74.2 | 145.5 | -170.4 | -54.5 | -100.5 | 0 | 0 | 0 | 113.3 | ||||
| 345 | Q | 42.9 | Very low | 47.2 | Very low | 258 Ų | 258 | 175.5 Ų | 175.5 | 100% | 1.206 | 88% | 0.877 | S | S | * | * | -153.2 | 0 | 124.9 | -160.1 | 73.4 | 82.6 | 0 | 0 | 110.9 |
Retrieved 345 of 345 residues in 268.9 ms
(Link to these results)