| 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 | 45.3 | Very low | 48.7 | Very low | 250 Ų | 250 | 156.3 Ų | 156.3 | 100% | 1.232 | 80% | 0.8 | S | S | * | * | 0 | 99.2 | 0 | -87.2 | -172.4 | -80.1 | 0 | 0 | 108.8 | |||||
| 2 | A | 43.7 | Very low | 49 | Very low | 93 Ų | 93 | 156.6 Ų | 156.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -175.7 | 44 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | F4 | A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 3.44Å | ||
| 3 | G | 50.8 | Low | 48.8 | Very low | 67 Ų | 67 | 151 Ų | 151 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 36.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 4 | F | 55.4 | Low | 48.9 | Very low | 183 Ų | 183 | 153 Ų | 153 | 80% | 0.803 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -19.7 | 179.2 | -171.7 | -108.6 | 0 | 0 | 0 | 112.9 | A2 | A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 3.44Å |
| 5 | L | 46.7 | Very low | 49.1 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -103.3 | -9 | 180 | -63.3 | 178.3 | 0 | 0 | 0 | 114.2 | N7 | L5-N7 PolarHBondContact O-N 3.05Š|
| 6 | D | 54.3 | Low | 49 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -3.4 | 176.1 | -78.6 | -25.3 | 0 | 0 | 0 | 113.8 | ||
| 7 | N | 49 | Very low | 49.6 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 1.1 | -176.9 | -116.7 | -22.1 | 0 | 0 | 0 | 114.2 | L5 R9 | L5-N7 PolarHBondContact O-N 3.05Å; N7-R9 PolarHBondContact O-N 3.04Å; N7-R9 VanDerWaalsContact O-N 3.17Å |
| 8 | F | 44.3 | Very low | 50.4 | Low | 169 Ų | 169 | 144.3 Ų | 144.3 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | -89.6 | 60.3 | 170.5 | -136.6 | -92.5 | 0 | 0 | 0 | 110.2 | W10 | F8-W10 VanDerWaalsContact C-N 3.31Å; F8-W10 HydrophobicContact CD1-CE3 4.27Å; F8-W10 AromaticContact CE1-CE3 3.84Å; F8-W10 HydrophobicContact CE1-CE3 3.84Å; F8-W10 HydrophobicContact CE1-CZ3 4.07Å; F8-W10 PolarHBondContact O-N 3.46Å | ||
| 9 | R | 53.3 | Low | 51.3 | Low | 218 Ų | 218 | 137.7 Ų | 137.7 | 82% | 0.823 | 71% | 0.706 | S | S | * | * | trans | -70.4 | 95.1 | 160.8 | -101 | 177.1 | 141.5 | -173.6 | -8 | 106.9 | N7 | N7-R9 PolarHBondContact O-N 3.04Å; N7-R9 VanDerWaalsContact O-N 3.17Å | ||
| 10 | W | 45.9 | Very low | 52.3 | Low | 198 Ų | 198 | 137.3 Ų | 137.3 | 75% | 0.75 | 70% | 0.701 | S | S | * | * | trans | -52.4 | 130.5 | 162.4 | -155.3 | -74.7 | 0 | 0 | 0 | 106.7 | F8 E12 | F8-W10 VanDerWaalsContact C-N 3.31Å; F8-W10 HydrophobicContact CD1-CE3 4.27Å; F8-W10 AromaticContact CE1-CE3 3.84Å; F8-W10 HydrophobicContact CE1-CE3 3.84Å; F8-W10 HydrophobicContact CE1-CZ3 4.07Å; F8-W10 PolarHBondContact O-N 3.46Å; W10-E12 PolarHBondContact O-N 2.92Å | ||
| 11 | P | 47.1 | Very low | 53.6 | Low | 103 Ų | 103 | 138.9 Ų | 138.9 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | trans | -56.6 | 116.1 | 176.8 | 22.6 | -30.8 | 0 | 0 | 0 | 107.2 | C13 | P11-C13 VanDerWaalsContact C-N 3.31Å; P11-C13 PolarHBondContact O-N 3.21Å | ||
| 12 | E | 52.7 | Low | 55.2 | Low | 160 Ų | 160 | 132.7 Ų | 132.7 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | trans | -56.7 | 103.9 | 169 | -73.2 | 176.3 | 175 | 0 | 0 | 105.3 | W10 E14 | W10-E12 PolarHBondContact O-N 2.92Å; E12-E14 PolarHBondContact O-N 3.36Å | ||
| 13 | C | 46.6 | Very low | 57.3 | Low | 84 Ų | 84 | 130 Ų | 130 | 57% | 0.568 | 63% | 0.634 | S | S | * | * | trans | -72.8 | 86.4 | 177.4 | -166.2 | 0 | 0 | 0 | 0 | 106 | P11 C15 V16 | P11-C13 VanDerWaalsContact C-N 3.31Å; P11-C13 PolarHBondContact O-N 3.21Å; C13-C15 PolarHBondContact O-N 3.49Å; C13-V16 PolarHBondContact O-N 2.96Å | ||
| 14 | E | 49.9 | Very low | 59 | Low | 179 Ų | 179 | 129 Ų | 129 | 84% | 0.836 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 0.1 | 174.5 | -72.9 | -177.1 | 152.3 | 0 | 0 | 113.3 | E12 | E12-E14 PolarHBondContact O-N 3.36Š|
| 15 | C | 50.9 | Low | 60.6 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 76% | 0.764 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -11.2 | -179.8 | -43.5 | 0 | 0 | 0 | 0 | 113.5 | C13 | C13-C15 PolarHBondContact O-N 3.49Š|
| 16 | V | 48.8 | Very low | 62.7 | Low | 51 Ų | 51 | 117.9 Ų | 117.9 | 31% | 0.309 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -133.7 | 106.3 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | C13 W18 | C13-V16 PolarHBondContact O-N 2.96Å; V16-W18 HydrophobicContact CG1-CG 4.15Å; V16-W18 PolarHBondContact O-N 3.16Å |
| 17 | D | 59.3 | Low | 64.4 | Low | 98 Ų | 98 | 113.2 Ų | 113.2 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | trans | -62.3 | 77.7 | 167.9 | -76.3 | -44.7 | 0 | 0 | 0 | 110.2 | S19 E20 R21 | D17-S19 PolarHBondContact O-N 2.88Å; D17-E20 HydrophobicContact CB-CB 3.92Å; D17-E20 HydrophobicContact CB-CG 4.02Å; D17-E20 PolarHBondContact O-N 3Å; D17-R21 PolarHBondContact O-N 3.46Å | ||
| 18 | W | 64.1 | Low | 66.6 | Low | 193 Ų | 193 | 111.3 Ų | 111.3 | 73% | 0.731 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -29.6 | 178.9 | -101.6 | 104.2 | 0 | 0 | 0 | 111.2 | V16 R22 | V16-W18 HydrophobicContact CG1-CG 4.15Å; V16-W18 PolarHBondContact O-N 3.16Å; W18-R22 WeakPolarHBondContact O-CB 3.37Å; W18-R22 PolarHBondContact O-N 3.31Å |
| 19 | S | 67.4 | Low | 69 | Low | 19 Ų | 19 | 106.2 Ų | 106.2 | 13% | 0.133 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -70.4 | -46.5 | 175.3 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | D17 R22 N23 E155 | D17-S19 PolarHBondContact O-N 2.88Å; S19-R22 PolarHBondContact O-N 2.95Å; S19-N23 WeakPolarHBondContact O-CB 3.38Å; S19-N23 PolarHBondContact O-N 3.07Å; S19-N23 PolarHBondContact O-OD1 2.95Å; S19-E155 WeakPolarHBondContact CB-OE1 3.23Å; S19-E155 PolarHBondContact OG-OE1 3Å |
| 20 | E | 71.6 | Confident | 71 | Confident | 130 Ų | 130 | 95.9 Ų | 95.9 | 61% | 0.607 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.1 | -45.8 | 174.9 | -70 | -160.9 | 150.4 | 0 | 0 | 111.7 | D17 R22 N23 A24 | D17-E20 HydrophobicContact CB-CB 3.92Å; D17-E20 HydrophobicContact CB-CG 4.02Å; D17-E20 PolarHBondContact O-N 3Å; E20-R22 VanDerWaalsContact C-N 3.32Å; E20-R22 PolarHBondContact O-N 3.39Å; E20-N23 PolarHBondContact O-N 2.97Å; E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 3.01Å |
| 21 | R | 78.8 | Confident | 73.3 | Confident | 170 Ų | 170 | 88.3 Ų | 88.3 | 64% | 0.642 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.1 | -41.6 | 175.8 | -75.2 | -172.1 | 177.9 | -160.2 | 1.4 | 111.9 | D17 A24 V25 | D17-R21 PolarHBondContact O-N 3.46Å; R21-A24 PolarHBondContact O-N 3.35Å; R21-V25 WeakPolarHBondContact O-CB 3.34Å; R21-V25 VanDerWaalsContact O-CG2 3.27Å; R21-V25 WeakPolarHBondContact O-CG2 3.33Å; R21-V25 PolarHBondContact O-N 3.17Å |
| 22 | R | 79.5 | Confident | 75.7 | Confident | 120 Ų | 120 | 87.3 Ų | 87.3 | 45% | 0.453 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.1 | -179.7 | 177.7 | 60.4 | -155.7 | -17.1 | 111.5 | W18 S19 E20 V25 A26 G151 T153 | W18-R22 WeakPolarHBondContact O-CB 3.37Å; W18-R22 PolarHBondContact O-N 3.31Å; S19-R22 PolarHBondContact O-N 2.95Å; E20-R22 VanDerWaalsContact C-N 3.32Å; E20-R22 PolarHBondContact O-N 3.39Å; R22-V25 PolarHBondContact O-N 3.39Å; R22-A26 WeakPolarHBondContact O-CB 3.37Å; R22-A26 PolarHBondContact O-N 3.09Å; R22-G151 WeakPolarHBondContact CG-O 3.38Å; R22-T153 PolarHBondContact NH2-OG1 3.4Å |
| 23 | N | 86.2 | Confident | 77.8 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 19% | 0.193 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 178.5 | -73.8 | -6.8 | 0 | 0 | 0 | 111.6 | S19 E20 S27 R152 T153 | S19-N23 WeakPolarHBondContact O-CB 3.38Å; S19-N23 PolarHBondContact O-N 3.07Å; S19-N23 PolarHBondContact O-OD1 2.95Å; E20-N23 PolarHBondContact O-N 2.97Å; N23-S27 WeakPolarHBondContact O-CB 3.34Å; N23-S27 PolarHBondContact O-N 3.22Å; N23-S27 PolarHBondContact O-OG 3.21Å; N23-R152 VanDerWaalsContact OD1-CA 3.26Å; N23-R152 WeakPolarHBondContact OD1-CA 3.28Å; N23-T153 PolarHBondContact ND2-O 3.14Å; N23-T153 PolarHBondContact OD1-N 3.39Å; N23-T153 PolarHBondContact OD1-O 3.28Å; N23-T153 PolarHBondContact OD1-OG1 2.85Å |
| 24 | A | 87.3 | Confident | 80.2 | Confident | 46 Ų | 46 | 79.5 Ų | 79.5 | 38% | 0.38 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.1 | -52.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E20 R21 A26 S27 I28 | E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 3.01Å; R21-A24 PolarHBondContact O-N 3.35Å; A24-A26 PolarHBondContact O-N 3.21Å; A24-S27 PolarHBondContact O-N 3.34Å; A24-S27 PolarHBondContact O-OG 2.89Å; A24-I28 VanDerWaalsContact O-CG1 3.29Å; A24-I28 WeakPolarHBondContact O-CG1 3.31Å; A24-I28 PolarHBondContact O-N 3.15Å |
| 25 | V | 89.3 | Confident | 82.4 | Confident | 88 Ų | 88 | 76.9 Ų | 76.9 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 179.4 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | R21 R22 S27 I28 V29 | R21-V25 WeakPolarHBondContact O-CB 3.34Å; R21-V25 VanDerWaalsContact O-CG2 3.27Å; R21-V25 WeakPolarHBondContact O-CG2 3.33Å; R21-V25 PolarHBondContact O-N 3.17Å; R22-V25 PolarHBondContact O-N 3.39Å; V25-S27 VanDerWaalsContact C-N 3.31Å; V25-S27 PolarHBondContact O-N 3.16Å; V25-I28 PolarHBondContact O-N 3.38Å; V25-V29 HydrophobicContact CG1-CG2 4.17Å; V25-V29 WeakPolarHBondContact O-CB 3.46Å; V25-V29 VanDerWaalsContact O-CG2 3.28Å; V25-V29 WeakPolarHBondContact O-CG2 3.49Å; V25-V29 PolarHBondContact O-N 3.41Å |
| 26 | A | 90 | Very high | 84.6 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R22 A24 A30 I147 R152 | R22-A26 WeakPolarHBondContact O-CB 3.37Å; R22-A26 PolarHBondContact O-N 3.09Å; A24-A26 PolarHBondContact O-N 3.21Å; A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 3.17Å; A26-I147 HydrophobicContact CB-CG2 4.45Å; A26-R152 HydrophobicContact CB-CG 4.26Å |
| 27 | S | 91.4 | Very high | 86.8 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 177.2 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | N23 A24 V25 G31 | N23-S27 WeakPolarHBondContact O-CB 3.34Å; N23-S27 PolarHBondContact O-N 3.22Å; N23-S27 PolarHBondContact O-OG 3.21Å; A24-S27 PolarHBondContact O-N 3.34Å; A24-S27 PolarHBondContact O-OG 2.89Å; V25-S27 VanDerWaalsContact C-N 3.31Å; V25-S27 PolarHBondContact O-N 3.16Å; S27-G31 PolarHBondContact O-N 3.27Å |
| 28 | I | 93.9 | Very high | 88.5 | Confident | 111 Ų | 111 | 70 Ų | 70 | 57% | 0.569 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.5 | -49.4 | 177.3 | -68.1 | 164.6 | 0 | 0 | 0 | 110.1 | A24 V25 A30 G31 V32 | A24-I28 VanDerWaalsContact O-CG1 3.29Å; A24-I28 WeakPolarHBondContact O-CG1 3.31Å; A24-I28 PolarHBondContact O-N 3.15Å; V25-I28 PolarHBondContact O-N 3.38Å; I28-A30 PolarHBondContact O-N 3.07Å; I28-G31 PolarHBondContact O-N 3.43Å; I28-V32 HydrophobicContact CG2-CG2 4.43Å; I28-V32 WeakPolarHBondContact O-CG2 3.26Å; I28-V32 PolarHBondContact O-N 3.48Å |
| 29 | V | 94.9 | Very high | 90 | Very high | 62 Ų | 62 | 68.1 Ų | 68.1 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | -179.8 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | V25 G31 V32 L33 I147 | V25-V29 HydrophobicContact CG1-CG2 4.17Å; V25-V29 WeakPolarHBondContact O-CB 3.46Å; V25-V29 VanDerWaalsContact O-CG2 3.28Å; V25-V29 WeakPolarHBondContact O-CG2 3.49Å; V25-V29 PolarHBondContact O-N 3.41Å; V29-G31 PolarHBondContact O-N 3.1Å; V29-V32 PolarHBondContact O-N 3.11Å; V29-L33 HydrophobicContact CG1-CD1 4.09Å; V29-L33 WeakPolarHBondContact O-CG 3.49Å; V29-L33 PolarHBondContact O-N 3.16Å; V29-I147 HydrophobicContact CB-CG2 4.34Å; V29-I147 HydrophobicContact CG1-CD1 3.86Å; V29-I147 HydrophobicContact CG1-CG2 4.16Å |
| 30 | A | 94.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A26 I28 L33 F34 S144 I147 Y148 | A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 3.17Å; I28-A30 PolarHBondContact O-N 3.07Å; A30-L33 PolarHBondContact O-N 3.16Å; A30-F34 WeakPolarHBondContact O-CB 3.36Å; A30-F34 PolarHBondContact O-N 2.99Å; A30-S144 WeakPolarHBondContact O-CB 3.21Å; A30-S144 PolarHBondContact O-OG 3.37Å; A30-I147 HydrophobicContact CB-CG2 4.31Å; A30-Y148 HydrophobicContact CB-CD2 3.9Å; A30-Y148 HydrophobicContact CB-CG 4.32Å |
| 31 | G | 95.2 | Very high | 92.3 | Very high | 40 Ų | 40 | 63.4 Ų | 63.4 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S27 I28 V29 F34 F35 | S27-G31 PolarHBondContact O-N 3.27Å; I28-G31 PolarHBondContact O-N 3.43Å; V29-G31 PolarHBondContact O-N 3.1Å; G31-F34 PolarHBondContact O-N 3.43Å; G31-F35 WeakPolarHBondContact O-CB 3.4Å; G31-F35 PolarHBondContact O-N 2.74Å |
| 32 | V | 97.4 | Very high | 93 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | I28 V29 F34 F35 T36 | I28-V32 HydrophobicContact CG2-CG2 4.43Å; I28-V32 WeakPolarHBondContact O-CG2 3.26Å; I28-V32 PolarHBondContact O-N 3.48Å; V29-V32 PolarHBondContact O-N 3.11Å; V32-F34 PolarHBondContact O-N 3.05Å; V32-F35 PolarHBondContact O-N 2.93Å; V32-T36 HydrophobicContact CG1-CG2 4.27Å; V32-T36 VanDerWaalsContact O-CG2 3.29Å; V32-T36 WeakPolarHBondContact O-CG2 3.14Å; V32-T36 PolarHBondContact O-N 3.48Å; V32-T36 PolarHBondContact O-OG1 2.7Å; V32-T36 VanDerWaalsContact O-OG1 3.09Å |
| 33 | L | 96.4 | Very high | 93.6 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 19% | 0.194 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 178.2 | -70.6 | 171 | 0 | 0 | 0 | 112.9 | V29 A30 T36 G37 L140 F143 I147 | V29-L33 HydrophobicContact CG1-CD1 4.09Å; V29-L33 WeakPolarHBondContact O-CG 3.49Å; V29-L33 PolarHBondContact O-N 3.16Å; A30-L33 PolarHBondContact O-N 3.16Å; L33-T36 WeakPolarHBondContact CA-OG1 3.21Å; L33-T36 PolarHBondContact O-OG1 3.25Å; L33-G37 PolarHBondContact O-N 2.9Å; L33-L140 HydrophobicContact CD2-CD2 3.69Å; L33-F143 HydrophobicContact CD1-CB 4.23Å; L33-I147 HydrophobicContact CD1-CD1 3.51Å |
| 34 | F | 96.5 | Very high | 93.9 | Very high | 44 Ų | 44 | 55.7 Ų | 55.7 | 19% | 0.193 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 176.5 | -176.7 | -92.9 | 0 | 0 | 0 | 111.1 | A30 G31 V32 G37 W38 T66 F69 I141 | A30-F34 WeakPolarHBondContact O-CB 3.36Å; A30-F34 PolarHBondContact O-N 2.99Å; G31-F34 PolarHBondContact O-N 3.43Å; V32-F34 PolarHBondContact O-N 3.05Å; F34-G37 PolarHBondContact O-N 2.95Å; F34-W38 AromaticContact CE1-CD1 3.5Å; F34-W38 VanDerWaalsContact CE1-CD1 3.5Å; F34-W38 AromaticContact CE1-NE1 3.75Å; F34-W38 AromaticContact CE2-CD1 3.98Å; F34-W38 AromaticContact CE2-NE1 3.69Å; F34-W38 AromaticContact CZ-CD1 3.49Å; F34-W38 VanDerWaalsContact CZ-CD1 3.49Å; F34-W38 AromaticContact CZ-NE1 3.24Å; F34-W38 PolarHBondContact O-N 3.02Å; F34-T66 HydrophobicContact CE2-CG2 3.84Å; F34-T66 HydrophobicContact CZ-CG2 3.63Å; F34-F69 HydrophobicContact CD2-CD1 4.36Å; F34-F69 HydrophobicContact CD2-CD2 4.19Å; F34-F69 HydrophobicContact CD2-CE2 4.41Å; F34-F69 HydrophobicContact CD2-CG 4.21Å; F34-F69 HydrophobicContact CE2-CD1 4.22Å; F34-F69 HydrophobicContact CE2-CG 4.25Å; F34-I141 HydrophobicContact CD2-CG1 4.08Å; F34-I141 HydrophobicContact CD2-CG2 4.34Å; F34-I141 HydrophobicContact CE2-CG1 4.34Å; F34-I141 HydrophobicContact CE2-CG2 4.43Å |
| 35 | F | 96.9 | Very high | 94 | Very high | 124 Ų | 124 | 55 Ų | 55 | 54% | 0.544 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 176.6 | 172.2 | -99.6 | 0 | 0 | 0 | 111.7 | G31 V32 G37 W38 W39 | G31-F35 WeakPolarHBondContact O-CB 3.4Å; G31-F35 PolarHBondContact O-N 2.74Å; V32-F35 PolarHBondContact O-N 2.93Å; F35-G37 VanDerWaalsContact C-N 3.3Å; F35-G37 PolarHBondContact O-N 3.36Å; F35-W38 PolarHBondContact O-N 2.86Å; F35-W39 HydrophobicContact CE1-CB 4.48Å; F35-W39 HydrophobicContact CE2-CE3 4.33Å; F35-W39 HydrophobicContact CZ-CD2 4.32Å; F35-W39 AromaticContact CZ-CE3 3.87Å; F35-W39 HydrophobicContact CZ-CE3 3.87Å; F35-W39 WeakPolarHBondContact O-CB 3.38Å; F35-W39 PolarHBondContact O-N 3.35Å |
| 36 | T | 96.9 | Very high | 94.1 | Very high | 45 Ų | 45 | 56 Ų | 56 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 179.5 | 54.3 | 0 | 0 | 0 | 0 | 112 | V32 L33 W39 I40 | V32-T36 HydrophobicContact CG1-CG2 4.27Å; V32-T36 VanDerWaalsContact O-CG2 3.29Å; V32-T36 WeakPolarHBondContact O-CG2 3.14Å; V32-T36 PolarHBondContact O-N 3.48Å; V32-T36 PolarHBondContact O-OG1 2.7Å; V32-T36 VanDerWaalsContact O-OG1 3.09Å; L33-T36 WeakPolarHBondContact CA-OG1 3.21Å; L33-T36 PolarHBondContact O-OG1 3.25Å; T36-W39 PolarHBondContact O-N 3.09Å; T36-I40 VanDerWaalsContact O-CG1 3.31Å; T36-I40 WeakPolarHBondContact O-CG1 3.38Å; T36-I40 PolarHBondContact O-N 3.26Å |
| 37 | G | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.9 | -49.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | L33 F34 F35 M41 Q137 | L33-G37 PolarHBondContact O-N 2.9Å; F34-G37 PolarHBondContact O-N 2.95Å; F35-G37 VanDerWaalsContact C-N 3.3Å; F35-G37 PolarHBondContact O-N 3.36Å; G37-M41 PolarHBondContact O-N 3.46Å; G37-Q137 WeakPolarHBondContact O-CG 3.42Å |
| 38 | W | 95.3 | Very high | 94 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 27% | 0.269 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.6 | -34.7 | 177 | -82.7 | 103.2 | 0 | 0 | 0 | 113.3 | F34 F35 M41 I42 V63 T66 | F34-W38 AromaticContact CE1-CD1 3.5Å; F34-W38 VanDerWaalsContact CE1-CD1 3.5Å; F34-W38 AromaticContact CE1-NE1 3.75Å; F34-W38 AromaticContact CE2-CD1 3.98Å; F34-W38 AromaticContact CE2-NE1 3.69Å; F34-W38 AromaticContact CZ-CD1 3.49Å; F34-W38 VanDerWaalsContact CZ-CD1 3.49Å; F34-W38 AromaticContact CZ-NE1 3.24Å; F34-W38 PolarHBondContact O-N 3.02Å; F35-W38 PolarHBondContact O-N 2.86Å; W38-M41 PolarHBondContact O-N 3.01Å; W38-I42 WeakPolarHBondContact O-CG1 3.35Å; W38-I42 PolarHBondContact O-N 3.02Å; W38-V63 HydrophobicContact CH2-CG2 4.24Å; W38-T66 VanDerWaalsContact CE2-OG1 3.32Å; W38-T66 HydrophobicContact CZ2-CG2 4.27Å; W38-T66 WeakPolarHBondContact CZ2-OG1 3.3Å; W38-T66 PolarHBondContact NE1-OG1 3.33Å |
| 39 | W | 95.4 | Very high | 93.5 | Very high | 154 Ų | 154 | 57.6 Ų | 57.6 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.4 | -46.5 | 176.5 | -174 | -97 | 0 | 0 | 0 | 112 | F35 T36 M41 I42 D43 | F35-W39 HydrophobicContact CE1-CB 4.48Å; F35-W39 HydrophobicContact CE2-CE3 4.33Å; F35-W39 HydrophobicContact CZ-CD2 4.32Å; F35-W39 AromaticContact CZ-CE3 3.87Å; F35-W39 HydrophobicContact CZ-CE3 3.87Å; F35-W39 WeakPolarHBondContact O-CB 3.38Å; F35-W39 PolarHBondContact O-N 3.35Å; T36-W39 PolarHBondContact O-N 3.09Å; W39-M41 VanDerWaalsContact C-N 3.26Å; W39-M41 PolarHBondContact O-N 3.39Å; W39-I42 PolarHBondContact O-N 3.33Å; W39-D43 PolarHBondContact O-N 3.15Å |
| 40 | I | 94.3 | Very high | 93.1 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.9 | -39 | 176.4 | -69.7 | 167.2 | 0 | 0 | 0 | 111.1 | T36 D43 A44 A133 F136 L140 | T36-I40 VanDerWaalsContact O-CG1 3.31Å; T36-I40 WeakPolarHBondContact O-CG1 3.38Å; T36-I40 PolarHBondContact O-N 3.26Å; I40-D43 PolarHBondContact O-N 3.01Å; I40-A44 WeakPolarHBondContact O-CB 3.13Å; I40-A44 PolarHBondContact O-N 3.23Å; I40-A133 HydrophobicContact CG2-CB 3.78Å; I40-F136 HydrophobicContact CD1-CB 4.33Å; I40-L140 HydrophobicContact CD1-CD1 3.63Å |
| 41 | M | 92.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 178.5 | -165.8 | 66.2 | -137.4 | 0 | 0 | 112.4 | G37 W38 W39 A45 M54 H59 V134 Q137 | G37-M41 PolarHBondContact O-N 3.46Å; W38-M41 PolarHBondContact O-N 3.01Å; W39-M41 VanDerWaalsContact C-N 3.26Å; W39-M41 PolarHBondContact O-N 3.39Å; M41-A45 WeakPolarHBondContact O-CB 3.46Å; M41-A45 PolarHBondContact O-N 3.45Å; M41-M54 HydrophobicContact CE-CE 4.1Å; M41-M54 HydrophobicContact CE-SD 3.4Å; M41-M54 WeakPolarHBondContact CE-SD 3.45Å; M41-H59 WeakPolarHBondContact CE-CE1 3.42Å; M41-H59 WeakPolarHBondContact CE-ND1 3.21Å; M41-V134 HydrophobicContact CE-CG2 3.9Å; M41-V134 HydrophobicContact SD-CG2 3.96Å; M41-Q137 HydrophobicContact CB-CB 4.49Å; M41-Q137 HydrophobicContact CB-CG 4.31Å; M41-Q137 VanDerWaalsContact CG-OE1 3.27Å; M41-Q137 PolarHBondContact SD-OE1 2.81Å |
| 42 | I | 92.9 | Very high | 91.5 | Very high | 93 Ų | 93 | 71.3 Ų | 71.3 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 176.9 | -67.7 | 165.5 | 0 | 0 | 0 | 110.2 | W38 W39 A44 A45 V46 | W38-I42 WeakPolarHBondContact O-CG1 3.35Å; W38-I42 PolarHBondContact O-N 3.02Å; W39-I42 PolarHBondContact O-N 3.33Å; I42-A44 PolarHBondContact O-N 2.76Å; I42-A45 PolarHBondContact O-N 3.05Å; I42-A45 VanDerWaalsContact O-N 3.16Å; I42-V46 HydrophobicContact CG2-CG2 4.49Å; I42-V46 WeakPolarHBondContact O-CG2 3.39Å; I42-V46 PolarHBondContact O-N 3.49Å |
| 43 | D | 93.4 | Very high | 90.7 | Very high | 70 Ų | 70 | 71.6 Ų | 71.6 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.7 | -49.5 | 176.3 | -172.5 | 66.5 | 0 | 0 | 0 | 111.2 | W39 I40 A45 V46 V47 Y129 | W39-D43 PolarHBondContact O-N 3.15Å; I40-D43 PolarHBondContact O-N 3.01Å; D43-A45 VanDerWaalsContact C-N 3.33Å; D43-A45 PolarHBondContact O-N 3.05Å; D43-V46 PolarHBondContact O-N 2.9Å; D43-V47 WeakPolarHBondContact O-CG2 3.29Å; D43-V47 PolarHBondContact O-N 3.46Å; D43-Y129 PolarHBondContact OD2-OH 3.42Å |
| 44 | A | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I40 I42 V46 V47 Y48 Y129 A133 | I40-A44 WeakPolarHBondContact O-CB 3.13Å; I40-A44 PolarHBondContact O-N 3.23Å; I42-A44 PolarHBondContact O-N 2.76Å; A44-V46 VanDerWaalsContact C-N 3.33Å; A44-V46 PolarHBondContact O-N 3.45Å; A44-V47 PolarHBondContact O-N 3.41Å; A44-Y48 WeakPolarHBondContact O-CD2 3.41Å; A44-Y48 PolarHBondContact O-N 3.07Å; A44-Y129 HydrophobicContact CB-CE1 4.16Å; A44-A133 HydrophobicContact CB-CB 3.45Å; A44-A133 VanDerWaalsContact CB-CB 3.45Å |
| 45 | A | 89.8 | Confident | 89.5 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.8 | -32.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | M41 I42 D43 M54 | M41-A45 WeakPolarHBondContact O-CB 3.46Å; M41-A45 PolarHBondContact O-N 3.45Å; I42-A45 PolarHBondContact O-N 3.05Å; I42-A45 VanDerWaalsContact O-N 3.16Å; D43-A45 VanDerWaalsContact C-N 3.33Å; D43-A45 PolarHBondContact O-N 3.05Å; A45-M54 HydrophobicContact CB-CE 3.92Å |
| 46 | V | 91 | Very high | 88.9 | Confident | 109 Ų | 109 | 71.4 Ų | 71.4 | 66% | 0.661 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -75.3 | -39.9 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | I42 D43 A44 | I42-V46 HydrophobicContact CG2-CG2 4.49Å; I42-V46 WeakPolarHBondContact O-CG2 3.39Å; I42-V46 PolarHBondContact O-N 3.49Å; D43-V46 PolarHBondContact O-N 2.9Å; A44-V46 VanDerWaalsContact C-N 3.33Å; A44-V46 PolarHBondContact O-N 3.45Å |
| 47 | V | 91.2 | Very high | 88.4 | Confident | 79 Ų | 79 | 71.9 Ų | 71.9 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73.8 | -34.2 | -179.6 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | D43 A44 P49 | D43-V47 WeakPolarHBondContact O-CG2 3.29Å; D43-V47 PolarHBondContact O-N 3.46Å; A44-V47 PolarHBondContact O-N 3.41Å; V47-P49 VanDerWaalsContact O-CD 3.23Å; V47-P49 WeakPolarHBondContact O-CD 3.19Å |
| 48 | Y | 87.9 | Confident | 88.1 | Confident | 26 Ų | 26 | 73.8 Ų | 73.8 | 10% | 0.102 | 38% | 0.382 | C | S | . | . | trans | -119.9 | 68.2 | -176.9 | -57.1 | -85 | 0 | 0 | 0 | 112 | A44 K50 Q53 N127 Y129 P130 | A44-Y48 WeakPolarHBondContact O-CD2 3.41Å; A44-Y48 PolarHBondContact O-N 3.07Å; Y48-K50 PolarHBondContact O-N 3.47Å; Y48-Q53 HydrophobicContact CD1-CB 4.08Å; Y48-N127 HydrophobicContact CE1-CB 4.5Å; Y48-N127 PolarHBondContact OH-ND2 2.94Å; Y48-Y129 HydrophobicContact CD2-CD1 4.3Å; Y48-Y129 AromaticContact CE2-CD1 3.42Å; Y48-Y129 HydrophobicContact CE2-CD1 3.42Å; Y48-Y129 VanDerWaalsContact CE2-CD1 3.42Å; Y48-Y129 HydrophobicContact CE2-CE1 4.09Å; Y48-Y129 HydrophobicContact CE2-CG 4.18Å; Y48-P130 HydrophobicContact CD1-CG 3.99Å; Y48-P130 HydrophobicContact CD2-CG 3.75Å; Y48-P130 HydrophobicContact CE1-CG 4.1Å; Y48-P130 HydrophobicContact CE2-CG 3.91Å; Y48-P130 HydrophobicContact CG-CG 3.79Å | ||
| 49 | P | 83.3 | Confident | 87.8 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 58% | 0.584 | 38% | 0.38 | S | S | * | . | trans | -74.7 | -13.4 | -175.5 | 30.9 | -36.6 | 0 | 0 | 0 | 113.4 | V47 | V47-P49 VanDerWaalsContact O-CD 3.23Å; V47-P49 WeakPolarHBondContact O-CD 3.19Å | ||
| 50 | K | 86.3 | Confident | 87.6 | Confident | 127 Ų | 127 | 68.7 Ų | 68.7 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -83.1 | 133.8 | -176.7 | -65.6 | -176.3 | -178.4 | -179.9 | 0 | 110.7 | Y48 E52 Q53 M54 | Y48-K50 PolarHBondContact O-N 3.47Å; K50-E52 PolarHBondContact O-N 3.44Å; K50-E52 VanDerWaalsContact O-N 3.14Å; K50-Q53 HydrophobicContact CB-CG 4.36Å; K50-Q53 PolarHBondContact O-N 2.99Å; K50-M54 PolarHBondContact O-N 3.28Å; K50-M54 VanDerWaalsContact O-N 3.07Å |
| 51 | P | 79.4 | Confident | 87.5 | Confident | 78 Ų | 78 | 67 Ų | 67 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.1 | -178.7 | 25.2 | -34.2 | 0 | 0 | 0 | 113.5 | Q53 M54 N55 | P51-Q53 VanDerWaalsContact C-N 3.32Å; P51-M54 WeakPolarHBondContact CA-O 3.41Å; P51-M54 CarbonylContact O-C 3.45Å; P51-N55 PolarHBondContact O-N 3.13Å |
| 52 | E | 77.8 | Confident | 87.5 | Confident | 185 Ų | 185 | 66.8 Ų | 66.8 | 86% | 0.864 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -28.5 | 174.5 | -64.2 | 175.9 | -176.9 | 0 | 0 | 112.9 | K50 | K50-E52 PolarHBondContact O-N 3.44Å; K50-E52 VanDerWaalsContact O-N 3.14Å |
| 53 | Q | 79.9 | Confident | 87.6 | Confident | 87 Ų | 87 | 65.7 Ų | 65.7 | 41% | 0.407 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -36.6 | -179.3 | -64.4 | 179.3 | -37.1 | 0 | 0 | 111.2 | Y48 K50 P51 Y121 | Y48-Q53 HydrophobicContact CD1-CB 4.08Å; K50-Q53 HydrophobicContact CB-CG 4.36Å; K50-Q53 PolarHBondContact O-N 2.99Å; P51-Q53 VanDerWaalsContact C-N 3.32Å; Q53-Y121 VanDerWaalsContact O-CE1 3.3Å; Q53-Y121 WeakPolarHBondContact O-CE1 3.22Å; Q53-Y121 PolarHBondContact O-OH 2.93Å |
| 54 | M | 82.7 | Confident | 87.7 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -141.7 | 108.2 | 174.6 | -168.5 | -179.6 | 65 | 0 | 0 | 109.7 | M41 A45 K50 P51 H56 F58 H59 Y121 P130 | M41-M54 HydrophobicContact CE-CE 4.1Å; M41-M54 HydrophobicContact CE-SD 3.4Å; M41-M54 WeakPolarHBondContact CE-SD 3.45Å; A45-M54 HydrophobicContact CB-CE 3.92Å; K50-M54 PolarHBondContact O-N 3.28Å; K50-M54 VanDerWaalsContact O-N 3.07Å; P51-M54 WeakPolarHBondContact CA-O 3.41Å; P51-M54 CarbonylContact O-C 3.45Å; M54-H56 PolarHBondContact O-N 3.47Å; M54-F58 HydrophobicContact CG-CD2 4.47Å; M54-H59 WeakPolarHBondContact CE-CE1 3.19Å; M54-H59 VanDerWaalsContact CE-NE2 3.28Å; M54-H59 WeakPolarHBondContact CE-NE2 3.4Å; M54-Y121 WeakPolarHBondContact CA-OH 3.25Å; M54-P130 HydrophobicContact CB-CB 4.45Å; M54-P130 HydrophobicContact CG-CB 4.37Å; M54-P130 HydrophobicContact SD-CB 4.48Å |
| 55 | N | 85.4 | Confident | 87.9 | Confident | 79 Ų | 79 | 66.9 Ų | 66.9 | 42% | 0.422 | 36% | 0.362 | S | S | . | . | trans | -67.4 | 131.4 | 178 | -170.4 | -28.2 | 0 | 0 | 0 | 109.4 | P51 A57 F58 | P51-N55 PolarHBondContact O-N 3.13Å; N55-A57 PolarHBondContact O-N 3.11Å; N55-A57 WeakPolarHBondContact OD1-CB 3.37Å; N55-A57 PolarHBondContact OD1-N 3.03Å; N55-F58 HydrophobicContact CB-CD1 4.45Å; N55-F58 HydrophobicContact CB-CD2 3.93Å; N55-F58 HydrophobicContact CB-CE1 4.3Å; N55-F58 HydrophobicContact CB-CE2 3.75Å; N55-F58 HydrophobicContact CB-CG 4.28Å; N55-F58 HydrophobicContact CB-CZ 3.95Å; N55-F58 WeakPolarHBondContact O-CB 3.44Å; N55-F58 PolarHBondContact O-N 3.44Å | ||
| 56 | H | 84 | Confident | 88.2 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -56.2 | -25.8 | 177.4 | -62.8 | -58.5 | 0 | 0 | 0 | 113.1 | M54 F58 H59 | M54-H56 PolarHBondContact O-N 3.47Å; H56-F58 PolarHBondContact O-N 3.39Å; H56-H59 PolarHBondContact O-CD2 3.3Å; H56-H59 PolarHBondContact O-N 3.08Å |
| 57 | A | 87.3 | Confident | 88.4 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -59.9 | -28 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N55 H59 T60 | N55-A57 PolarHBondContact O-N 3.11Å; N55-A57 WeakPolarHBondContact OD1-CB 3.37Å; N55-A57 PolarHBondContact OD1-N 3.03Å; A57-H59 VanDerWaalsContact C-N 3.28Å; A57-H59 PolarHBondContact O-N 3.33Å; A57-T60 WeakPolarHBondContact O-CB 3.42Å; A57-T60 PolarHBondContact O-N 3.07Å; A57-T60 VanDerWaalsContact O-N 3.16Å; A57-T60 PolarHBondContact O-OG1 3.36Å |
| 58 | F | 88.2 | Confident | 88.6 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -69.1 | -25.3 | -178.8 | -59 | -26.6 | 0 | 0 | 0 | 113 | M54 N55 H56 T60 C61 I116 A120 Y121 V134 | M54-F58 HydrophobicContact CG-CD2 4.47Å; N55-F58 HydrophobicContact CB-CD1 4.45Å; N55-F58 HydrophobicContact CB-CD2 3.93Å; N55-F58 HydrophobicContact CB-CE1 4.3Å; N55-F58 HydrophobicContact CB-CE2 3.75Å; N55-F58 HydrophobicContact CB-CG 4.28Å; N55-F58 HydrophobicContact CB-CZ 3.95Å; N55-F58 WeakPolarHBondContact O-CB 3.44Å; N55-F58 PolarHBondContact O-N 3.44Å; H56-F58 PolarHBondContact O-N 3.39Å; F58-T60 PolarHBondContact O-N 3.27Å; F58-C61 WeakPolarHBondContact O-CB 3.47Å; F58-C61 PolarHBondContact O-N 3.47Å; F58-I116 HydrophobicContact CB-CD1 4.28Å; F58-I116 HydrophobicContact CD1-CD1 3.63Å; F58-I116 HydrophobicContact CD1-CG1 3.89Å; F58-I116 HydrophobicContact CD1-CG2 4.06Å; F58-I116 HydrophobicContact CD2-CG2 4.07Å; F58-I116 HydrophobicContact CE1-CD1 4.27Å; F58-I116 HydrophobicContact CE1-CG1 4.03Å; F58-I116 HydrophobicContact CE1-CG2 4.18Å; F58-I116 HydrophobicContact CE2-CG2 4.18Å; F58-I116 HydrophobicContact CG-CD1 4.15Å; F58-I116 HydrophobicContact CG-CG2 4.01Å; F58-I116 HydrophobicContact CZ-CG2 4.24Å; F58-A120 HydrophobicContact CZ-CB 4.03Å; F58-Y121 HydrophobicContact CD2-CE2 4.16Å; F58-Y121 AromaticContact CE2-CE2 3.82Å; F58-Y121 HydrophobicContact CE2-CE2 3.82Å; F58-Y121 AromaticContact CE2-CZ 3.96Å; F58-Y121 WeakPolarHBondContact CE2-OH 3.26Å; F58-V134 HydrophobicContact CB-CG2 4.2Å |
| 59 | H | 89.4 | Confident | 89 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.5 | -30 | 172.9 | -64.7 | -67.7 | 0 | 0 | 0 | 112.8 | M41 M54 H56 A57 C61 G62 V63 | M41-H59 WeakPolarHBondContact CE-CE1 3.42Å; M41-H59 WeakPolarHBondContact CE-ND1 3.21Å; M54-H59 WeakPolarHBondContact CE-CE1 3.19Å; M54-H59 VanDerWaalsContact CE-NE2 3.28Å; M54-H59 WeakPolarHBondContact CE-NE2 3.4Å; H56-H59 PolarHBondContact O-CD2 3.3Å; H56-H59 PolarHBondContact O-N 3.08Å; A57-H59 VanDerWaalsContact C-N 3.28Å; A57-H59 PolarHBondContact O-N 3.33Å; H59-C61 PolarHBondContact O-N 3.14Å; H59-C61 VanDerWaalsContact O-N 3.16Å; H59-G62 PolarHBondContact O-N 3.42Å; H59-G62 VanDerWaalsContact O-N 3.11Å; H59-V63 PolarHBondContact O-N 3.29Å |
| 60 | T | 91.2 | Very high | 89.5 | Confident | 66 Ų | 66 | 62.6 Ų | 62.6 | 41% | 0.405 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.7 | -34.3 | -179.8 | -37 | 0 | 0 | 0 | 0 | 111.7 | A57 F58 V63 F64 | A57-T60 WeakPolarHBondContact O-CB 3.42Å; A57-T60 PolarHBondContact O-N 3.07Å; A57-T60 VanDerWaalsContact O-N 3.16Å; A57-T60 PolarHBondContact O-OG1 3.36Å; F58-T60 PolarHBondContact O-N 3.27Å; T60-V63 PolarHBondContact O-N 3.39Å; T60-F64 HydrophobicContact CG2-CD2 3.79Å; T60-F64 HydrophobicContact CG2-CE2 3.46Å; T60-F64 VanDerWaalsContact CG2-CE2 3.46Å; T60-F64 HydrophobicContact CG2-CZ 4.49Å; T60-F64 WeakPolarHBondContact O-CD2 3.36Å; T60-F64 PolarHBondContact O-N 3.4Å |
| 61 | C | 93 | Very high | 89.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 178.3 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | F58 H59 V63 F64 S65 S109 I116 V134 N138 | F58-C61 WeakPolarHBondContact O-CB 3.47Å; F58-C61 PolarHBondContact O-N 3.47Å; H59-C61 PolarHBondContact O-N 3.14Å; H59-C61 VanDerWaalsContact O-N 3.16Å; C61-V63 VanDerWaalsContact C-N 3.34Å; C61-V63 PolarHBondContact O-N 2.89Å; C61-F64 PolarHBondContact O-N 2.9Å; C61-S65 PolarHBondContact O-N 2.98Å; C61-S65 VanDerWaalsContact O-N 3.08Å; C61-S109 PolarHBondContact SG-O 3.22Å; C61-I116 HydrophobicContact CB-CD1 4.43Å; C61-V134 HydrophobicContact CB-CG1 4.49Å; C61-N138 PolarHBondContact O-OD1 3.26Å; C61-N138 PolarHBondContact SG-ND2 3.46Å; C61-N138 VanDerWaalsContact SG-ND2 3.42Å; C61-N138 PolarHBondContact SG-OD1 3.25Å; C61-N138 VanDerWaalsContact SG-OD1 3.4Å |
| 62 | G | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -33.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H59 S65 T66 | H59-G62 PolarHBondContact O-N 3.42Å; H59-G62 VanDerWaalsContact O-N 3.11Å; G62-S65 PolarHBondContact O-N 2.95Å; G62-T66 PolarHBondContact O-N 3.25Å; G62-T66 PolarHBondContact O-OG1 2.88Å |
| 63 | V | 94.9 | Very high | 91 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 42% | 0.418 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 174.2 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | W38 H59 T60 C61 S65 T66 L67 | W38-V63 HydrophobicContact CH2-CG2 4.24Å; H59-V63 PolarHBondContact O-N 3.29Å; T60-V63 PolarHBondContact O-N 3.39Å; C61-V63 VanDerWaalsContact C-N 3.34Å; C61-V63 PolarHBondContact O-N 2.89Å; V63-S65 PolarHBondContact O-N 2.97Å; V63-T66 WeakPolarHBondContact O-CB 3.28Å; V63-T66 PolarHBondContact O-N 3.48Å; V63-T66 VanDerWaalsContact O-N 3.11Å; V63-L67 HydrophobicContact CG1-CD1 4.3Å; V63-L67 WeakPolarHBondContact O-CG 3.47Å; V63-L67 PolarHBondContact O-N 3.21Å |
| 64 | F | 95.2 | Very high | 91.3 | Very high | 96 Ų | 96 | 46.4 Ų | 46.4 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 176.9 | -80.7 | -64.3 | 0 | 0 | 0 | 112.5 | T60 C61 T66 L67 A68 L105 | T60-F64 HydrophobicContact CG2-CD2 3.79Å; T60-F64 HydrophobicContact CG2-CE2 3.46Å; T60-F64 VanDerWaalsContact CG2-CE2 3.46Å; T60-F64 HydrophobicContact CG2-CZ 4.49Å; T60-F64 WeakPolarHBondContact O-CD2 3.36Å; T60-F64 PolarHBondContact O-N 3.4Å; C61-F64 PolarHBondContact O-N 2.9Å; F64-T66 VanDerWaalsContact C-N 3.28Å; F64-T66 PolarHBondContact O-N 3.39Å; F64-L67 HydrophobicContact CD1-CD1 4.28Å; F64-L67 PolarHBondContact O-N 2.95Å; F64-A68 WeakPolarHBondContact O-CB 3.22Å; F64-A68 PolarHBondContact O-N 2.91Å; F64-L105 HydrophobicContact CD1-CD2 4.25Å |
| 65 | S | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 171.8 | -76.8 | 0 | 0 | 0 | 0 | 112.7 | C61 G62 V63 A68 F69 M106 S109 N138 I141 | C61-S65 PolarHBondContact O-N 2.98Å; C61-S65 VanDerWaalsContact O-N 3.08Å; G62-S65 PolarHBondContact O-N 2.95Å; V63-S65 PolarHBondContact O-N 2.97Å; S65-A68 PolarHBondContact O-N 3.45Å; S65-F69 PolarHBondContact O-N 3.47Å; S65-M106 WeakPolarHBondContact O-CE 3.47Å; S65-S109 WeakPolarHBondContact OG-CB 3.47Å; S65-S109 PolarHBondContact OG-OG 2.95Å; S65-N138 WeakPolarHBondContact CB-OD1 3.33Å; S65-N138 PolarHBondContact OG-OD1 2.74Å; S65-I141 WeakPolarHBondContact O-CG2 3.39Å |
| 66 | T | 96.1 | Very high | 91.1 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.9 | -41 | 178.9 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | F34 W38 G62 V63 F64 A68 F69 F70 | F34-T66 HydrophobicContact CE2-CG2 3.84Å; F34-T66 HydrophobicContact CZ-CG2 3.63Å; W38-T66 VanDerWaalsContact CE2-OG1 3.32Å; W38-T66 HydrophobicContact CZ2-CG2 4.27Å; W38-T66 WeakPolarHBondContact CZ2-OG1 3.3Å; W38-T66 PolarHBondContact NE1-OG1 3.33Å; G62-T66 PolarHBondContact O-N 3.25Å; G62-T66 PolarHBondContact O-OG1 2.88Å; V63-T66 WeakPolarHBondContact O-CB 3.28Å; V63-T66 PolarHBondContact O-N 3.48Å; V63-T66 VanDerWaalsContact O-N 3.11Å; F64-T66 VanDerWaalsContact C-N 3.28Å; F64-T66 PolarHBondContact O-N 3.39Å; T66-A68 VanDerWaalsContact C-N 3.3Å; T66-A68 PolarHBondContact O-N 3.01Å; T66-F69 WeakPolarHBondContact O-CB 3.3Å; T66-F69 PolarHBondContact O-N 3.21Å; T66-F70 HydrophobicContact CG2-CD2 4.05Å; T66-F70 HydrophobicContact CG2-CE2 3.7Å; T66-F70 WeakPolarHBondContact O-CD2 3.32Å; T66-F70 PolarHBondContact O-N 3.46Å; T66-F70 VanDerWaalsContact O-N 3.13Å |
| 67 | L | 95.9 | Very high | 90.5 | Very high | 87 Ų | 87 | 40.8 Ų | 40.8 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 171.8 | -71.1 | 172.1 | 0 | 0 | 0 | 110.7 | V63 F64 F69 F70 M71 | V63-L67 HydrophobicContact CG1-CD1 4.3Å; V63-L67 WeakPolarHBondContact O-CG 3.47Å; V63-L67 PolarHBondContact O-N 3.21Å; F64-L67 HydrophobicContact CD1-CD1 4.28Å; F64-L67 PolarHBondContact O-N 2.95Å; L67-F69 VanDerWaalsContact C-N 3.35Å; L67-F69 PolarHBondContact O-N 3.42Å; L67-F70 PolarHBondContact O-N 3.42Å; L67-M71 VanDerWaalsContact O-CG 3.29Å; L67-M71 WeakPolarHBondContact O-CG 3.46Å; L67-M71 PolarHBondContact O-N 3.42Å |
| 68 | A | 95.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F64 S65 T66 F70 M71 I72 G102 L105 M106 | F64-A68 WeakPolarHBondContact O-CB 3.22Å; F64-A68 PolarHBondContact O-N 2.91Å; S65-A68 PolarHBondContact O-N 3.45Å; T66-A68 VanDerWaalsContact C-N 3.3Å; T66-A68 PolarHBondContact O-N 3.01Å; A68-F70 PolarHBondContact O-N 3.47Å; A68-M71 PolarHBondContact O-N 2.63Å; A68-I72 WeakPolarHBondContact O-CB 3.29Å; A68-I72 WeakPolarHBondContact O-CD1 3.46Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.28Å; A68-I72 PolarHBondContact O-N 2.95Å; A68-G102 WeakPolarHBondContact CB-O 3.46Å; A68-L105 HydrophobicContact CB-CB 3.84Å; A68-M106 HydrophobicContact CB-CB 3.88Å; A68-M106 HydrophobicContact CB-CE 3.68Å; A68-M106 HydrophobicContact CB-SD 4.45Å |
| 69 | F | 95.2 | Very high | 88.8 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 10% | 0.101 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.5 | -50.8 | 172.5 | 170.3 | -84.7 | 0 | 0 | 0 | 110.8 | F34 S65 T66 L67 N73 M106 I141 S144 T145 | F34-F69 HydrophobicContact CD2-CD1 4.36Å; F34-F69 HydrophobicContact CD2-CD2 4.19Å; F34-F69 HydrophobicContact CD2-CE2 4.41Å; F34-F69 HydrophobicContact CD2-CG 4.21Å; F34-F69 HydrophobicContact CE2-CD1 4.22Å; F34-F69 HydrophobicContact CE2-CG 4.25Å; S65-F69 PolarHBondContact O-N 3.47Å; T66-F69 WeakPolarHBondContact O-CB 3.3Å; T66-F69 PolarHBondContact O-N 3.21Å; L67-F69 VanDerWaalsContact C-N 3.35Å; L67-F69 PolarHBondContact O-N 3.42Å; F69-N73 VanDerWaalsContact CD2-ND2 3.27Å; F69-N73 WeakPolarHBondContact CD2-ND2 3.22Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.17Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.25Å; F69-N73 VanDerWaalsContact O-CB 3.26Å; F69-N73 WeakPolarHBondContact O-CB 3.48Å; F69-N73 PolarHBondContact O-N 2.84Å; F69-N73 VanDerWaalsContact O-N 3.08Å; F69-N73 PolarHBondContact O-ND2 3.03Å; F69-M106 HydrophobicContact CB-CE 4.23Å; F69-I141 HydrophobicContact CB-CG2 4.02Å; F69-S144 VanDerWaalsContact CE2-OG 3.26Å; F69-S144 WeakPolarHBondContact CE2-OG 3.33Å; F69-T145 WeakPolarHBondContact CD2-OG1 3.49Å |
| 70 | F | 93.9 | Very high | 87.8 | Confident | 119 Ų | 119 | 40.6 Ų | 40.6 | 52% | 0.522 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 178.4 | -73.3 | -65.3 | 0 | 0 | 0 | 112.1 | T66 L67 A68 I72 N73 A74 | T66-F70 HydrophobicContact CG2-CD2 4.05Å; T66-F70 HydrophobicContact CG2-CE2 3.7Å; T66-F70 WeakPolarHBondContact O-CD2 3.32Å; T66-F70 PolarHBondContact O-N 3.46Å; T66-F70 VanDerWaalsContact O-N 3.13Å; L67-F70 PolarHBondContact O-N 3.42Å; A68-F70 PolarHBondContact O-N 3.47Å; F70-I72 PolarHBondContact O-N 2.87Å; F70-N73 PolarHBondContact O-N 3.3Å; F70-A74 WeakPolarHBondContact O-CB 3.27Å; F70-A74 PolarHBondContact O-N 2.77Å |
| 71 | M | 92.6 | Very high | 86.6 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 179.7 | -72.1 | 178.8 | 71.2 | 0 | 0 | 112.6 | L67 A68 W98 I101 L105 | L67-M71 VanDerWaalsContact O-CG 3.29Å; L67-M71 WeakPolarHBondContact O-CG 3.46Å; L67-M71 PolarHBondContact O-N 3.42Å; A68-M71 PolarHBondContact O-N 2.63Å; M71-W98 HydrophobicContact CB-CZ2 4.47Å; M71-W98 HydrophobicContact CE-CD2 3.96Å; M71-W98 HydrophobicContact CE-CE3 4.25Å; M71-W98 HydrophobicContact CE-CG 4.5Å; M71-W98 HydrophobicContact CE-CH2 4.2Å; M71-W98 HydrophobicContact CE-CZ2 3.9Å; M71-W98 HydrophobicContact CE-CZ3 4.36Å; M71-W98 HydrophobicContact CG-CZ2 3.77Å; M71-W98 PolarHBondContact O-NE1 2.85Å; M71-W98 HydrophobicContact SD-CZ2 4.47Å; M71-I101 HydrophobicContact CE-CB 4.22Å; M71-I101 HydrophobicContact CE-CG2 3.82Å; M71-L105 HydrophobicContact CE-CD1 4.44Å; M71-L105 HydrophobicContact SD-CD1 3.73Å |
| 72 | I | 92.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.6 | -43 | -178.4 | -67.5 | 162.3 | 0 | 0 | 0 | 110.9 | A68 F70 F103 M106 T145 K149 | A68-I72 WeakPolarHBondContact O-CB 3.29Å; A68-I72 WeakPolarHBondContact O-CD1 3.46Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.28Å; A68-I72 PolarHBondContact O-N 2.95Å; F70-I72 PolarHBondContact O-N 2.87Å; I72-F103 HydrophobicContact CD1-CD1 3.58Å; I72-F103 HydrophobicContact CD1-CE1 3.81Å; I72-F103 HydrophobicContact CD1-CG 4.18Å; I72-F103 HydrophobicContact CG1-CD1 4.32Å; I72-F103 HydrophobicContact CG1-CE1 4.41Å; I72-F103 HydrophobicContact CG2-CE1 4.25Å; I72-F103 HydrophobicContact CG2-CZ 4.17Å; I72-M106 HydrophobicContact CD1-CB 4.11Å; I72-M106 HydrophobicContact CD1-CE 4.17Å; I72-T145 HydrophobicContact CB-CG2 3.8Å; I72-T145 HydrophobicContact CD1-CG2 3.71Å; I72-T145 HydrophobicContact CG1-CG2 4.37Å; I72-T145 HydrophobicContact CG2-CG2 3.72Å; I72-K149 HydrophobicContact CG2-CB 4.25Å; I72-K149 HydrophobicContact CG2-CD 4.06Å; I72-K149 HydrophobicContact CG2-CG 3.98Å; I72-K149 PolarHBondContact O-NZ 3.46Å |
| 73 | N | 90.6 | Very high | 83.6 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -83.4 | -17.3 | -174.4 | -68.4 | -39.8 | 0 | 0 | 0 | 114.2 | F69 F70 T145 Y148 K149 | F69-N73 VanDerWaalsContact CD2-ND2 3.27Å; F69-N73 WeakPolarHBondContact CD2-ND2 3.22Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.17Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.25Å; F69-N73 VanDerWaalsContact O-CB 3.26Å; F69-N73 WeakPolarHBondContact O-CB 3.48Å; F69-N73 PolarHBondContact O-N 2.84Å; F69-N73 VanDerWaalsContact O-N 3.08Å; F69-N73 PolarHBondContact O-ND2 3.03Å; F70-N73 PolarHBondContact O-N 3.3Å; N73-T145 PolarHBondContact OD1-O 2.97Å; N73-Y148 HydrophobicContact CB-CD1 3.61Å; N73-Y148 HydrophobicContact CB-CE1 3.91Å; N73-Y148 WeakPolarHBondContact OD1-CD1 3.17Å; N73-K149 WeakPolarHBondContact OD1-CB 3.26Å; N73-K149 PolarHBondContact OD1-N 3.24Å |
| 74 | A | 87 | Confident | 81.7 | Confident | 82 Ų | 82 | 50 Ų | 50 | 68% | 0.678 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -76.4 | -24.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F70 | F70-A74 WeakPolarHBondContact O-CB 3.27Å; F70-A74 PolarHBondContact O-N 2.77Å |
| 75 | V | 83.9 | Confident | 79.6 | Confident | 12 Ų | 12 | 57 Ų | 57 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -84.1 | 128.6 | 177.7 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | Q79 V80 A95 W98 K149 | V75-Q79 HydrophobicContact CG1-CB 4.32Å; V75-V80 HydrophobicContact CG1-CG2 3.88Å; V75-A95 HydrophobicContact CG1-CB 4.34Å; V75-W98 VanDerWaalsContact CG2-CD1 3.43Å; V75-W98 HydrophobicContact CG2-CG 4.34Å; V75-K149 PolarHBondContact O-NZ 2.9Å |
| 76 | S | 78.4 | Confident | 77.7 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | trans | -74.6 | 148.4 | 175.5 | 75.3 | 0 | 0 | 0 | 0 | 111.2 | A78 Q79 V80 E154 | S76-A78 PolarHBondContact O-N 3.12Å; S76-Q79 VanDerWaalsContact N-OE1 3.08Å; S76-Q79 PolarHBondContact O-N 3.3Å; S76-Q79 VanDerWaalsContact OG-CG 3.23Å; S76-Q79 WeakPolarHBondContact OG-CG 3.42Å; S76-Q79 PolarHBondContact OG-N 2.97Å; S76-Q79 PolarHBondContact OG-OE1 2.89Å; S76-V80 PolarHBondContact O-N 2.9Å; S76-E154 WeakPolarHBondContact CA-OE1 3.16Å; S76-E154 WeakPolarHBondContact CA-OE2 3.41Å; S76-E154 VanDerWaalsContact CB-OE2 3.29Å; S76-E154 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 77 | N | 72.4 | Confident | 75.8 | Confident | 39 Ų | 39 | 68.3 Ų | 68.3 | 21% | 0.209 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.8 | -31.5 | 172.2 | -70.4 | -46.4 | 0 | 0 | 0 | 111.7 | V80 R81 K149 E154 | N77-V80 PolarHBondContact O-N 3.2Å; N77-R81 WeakPolarHBondContact O-CG 3.12Å; N77-R81 PolarHBondContact O-N 3.5Å; N77-K149 VanDerWaalsContact OD1-CE 3.29Å; N77-K149 WeakPolarHBondContact OD1-CE 3.41Å; N77-E154 WeakPolarHBondContact CA-OE2 3.46Å; N77-E154 WeakPolarHBondContact CB-OE2 3.43Å; N77-E154 PolarHBondContact N-OE1 3.48Å; N77-E154 VanDerWaalsContact N-OE1 3.09Å; N77-E154 PolarHBondContact N-OE2 2.72Å |
| 78 | A | 69.6 | Low | 73.9 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S76 V80 R81 G82 D83 E154 | S76-A78 PolarHBondContact O-N 3.12Å; A78-V80 VanDerWaalsContact C-N 3.27Å; A78-V80 PolarHBondContact O-N 3.46Å; A78-R81 PolarHBondContact O-N 3.03Å; A78-G82 PolarHBondContact O-N 3.08Å; A78-D83 PolarHBondContact O-N 2.88Å; A78-E154 PolarHBondContact N-OE2 3.04Å |
| 79 | Q | 69.5 | Low | 72 | Confident | 86 Ų | 86 | 73 Ų | 73 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -31 | 176.2 | -75.7 | 169.7 | -34.5 | 0 | 0 | 112.5 | V75 S76 A95 | V75-Q79 HydrophobicContact CG1-CB 4.32Å; S76-Q79 VanDerWaalsContact N-OE1 3.08Å; S76-Q79 PolarHBondContact O-N 3.3Å; S76-Q79 VanDerWaalsContact OG-CG 3.23Å; S76-Q79 WeakPolarHBondContact OG-CG 3.42Å; S76-Q79 PolarHBondContact OG-N 2.97Å; S76-Q79 PolarHBondContact OG-OE1 2.89Å; Q79-A95 HydrophobicContact CB-CB 4.36Å |
| 80 | V | 67.9 | Low | 70.3 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 24% | 0.242 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -76.2 | -40.7 | 177.4 | -178 | 0 | 0 | 0 | 0 | 111.4 | V75 S76 N77 A78 G82 L99 | V75-V80 HydrophobicContact CG1-CG2 3.88Å; S76-V80 PolarHBondContact O-N 2.9Å; N77-V80 PolarHBondContact O-N 3.2Å; A78-V80 VanDerWaalsContact C-N 3.27Å; A78-V80 PolarHBondContact O-N 3.46Å; V80-G82 VanDerWaalsContact C-N 3.29Å; V80-L99 HydrophobicContact CG2-CD1 3.47Å; V80-L99 VanDerWaalsContact CG2-CD1 3.47Å |
| 81 | R | 66.9 | Low | 69.2 | Low | 167 Ų | 167 | 74.3 Ų | 74.3 | 63% | 0.63 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68.5 | -29 | 177.3 | -72.8 | 180 | 179.1 | 177.2 | 0.7 | 112.2 | N77 A78 D83 R92 | N77-R81 WeakPolarHBondContact O-CG 3.12Å; N77-R81 PolarHBondContact O-N 3.5Å; A78-R81 PolarHBondContact O-N 3.03Å; R81-D83 WeakPolarHBondContact CB-OD2 3.27Å; R81-R92 VanDerWaalsContact O-CZ 3.28Å; R81-R92 PolarHBondContact O-NE 3.23Å; R81-R92 PolarHBondContact O-NH2 3.46Å |
| 82 | G | 62.1 | Low | 68.2 | Low | 36 Ų | 36 | 78.9 Ų | 78.9 | 37% | 0.371 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 21.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A78 V80 | A78-G82 PolarHBondContact O-N 3.08Å; V80-G82 VanDerWaalsContact C-N 3.29Å |
| 83 | D | 60.2 | Low | 67.6 | Low | 84 Ų | 84 | 83.8 Ų | 83.8 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | trans | -85.1 | 1.2 | 178.2 | -57.6 | -35.2 | 0 | 0 | 0 | 112 | A78 R81 L156 | A78-D83 PolarHBondContact O-N 2.88Å; R81-D83 WeakPolarHBondContact CB-OD2 3.27Å; D83-L156 HydrophobicContact CB-CD2 4.15Å | ||
| 84 | S | 56.6 | Low | 67.2 | Low | 56 Ų | 56 | 83.3 Ų | 83.3 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | trans | -82.9 | 117.4 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 111 | S86 | S84-S86 PolarHBondContact O-N 3.45Å; S84-S86 VanDerWaalsContact O-N 3.09Å | ||
| 85 | Y | 50 | Low | 67 | Low | 244 Ų | 244 | 80.2 Ų | 80.2 | 96% | 0.957 | 45% | 0.451 | S | S | * | . | trans | -69.6 | 4.2 | 177.1 | -81 | -89.8 | 0 | 0 | 0 | 114.9 | ||||
| 86 | S | 54.4 | Low | 67.1 | Low | 100 Ų | 100 | 85.2 Ų | 85.2 | 70% | 0.699 | 47% | 0.469 | S | S | * | . | trans | -103.3 | 102.3 | -179.2 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | S84 G88 | S84-S86 PolarHBondContact O-N 3.45Å; S84-S86 VanDerWaalsContact O-N 3.09Å; S86-G88 VanDerWaalsContact C-N 3.31Å; S86-G88 PolarHBondContact O-N 2.95Å | ||
| 87 | D | 56.5 | Low | 67.6 | Low | 156 Ų | 156 | 87.3 Ų | 87.3 | 83% | 0.834 | 48% | 0.48 | S | S | * | . | trans | -79 | 81.8 | 171.5 | -145.2 | 11.2 | 0 | 0 | 0 | 108.8 | ||||
| 88 | G | 57 | Low | 68.4 | Low | 40 Ų | 40 | 91.6 Ų | 91.6 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | trans | -71.7 | 166.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S86 L90 G91 | S86-G88 VanDerWaalsContact C-N 3.31Å; S86-G88 PolarHBondContact O-N 2.95Å; G88-L90 PolarHBondContact O-N 3.29Å; G88-G91 PolarHBondContact O-N 3.41Å | ||
| 89 | C | 56.3 | Low | 69.4 | Low | 145 Ų | 145 | 92 Ų | 92 | 98% | 0.98 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -24.6 | -173.5 | -178 | 0 | 0 | 0 | 0 | 116.1 | ||
| 90 | L | 59 | Low | 70.4 | Confident | 138 Ų | 138 | 94 Ų | 94 | 72% | 0.723 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -5.8 | 178.3 | -93.9 | 150.5 | 0 | 0 | 0 | 113.6 | G88 G94 | G88-L90 PolarHBondContact O-N 3.29Å; L90-G94 WeakPolarHBondContact O-CA 3.21Å; L90-G94 PolarHBondContact O-N 3.04Å |
| 91 | G | 70.4 | Confident | 71.7 | Confident | 32 Ų | 32 | 95.5 Ų | 95.5 | 33% | 0.33 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | 48.7 | -155.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G88 T93 | G88-G91 PolarHBondContact O-N 3.41Å; G91-T93 VanDerWaalsContact C-N 3.31Å; G91-T93 PolarHBondContact O-N 2.62Å |
| 92 | R | 71.9 | Confident | 73 | Confident | 125 Ų | 125 | 87.6 Ų | 87.6 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -33.4 | 176.5 | -170.9 | 179.4 | -171.6 | -171.8 | 0.3 | 113.2 | R81 R96 | R81-R92 VanDerWaalsContact O-CZ 3.28Å; R81-R92 PolarHBondContact O-NE 3.23Å; R81-R92 PolarHBondContact O-NH2 3.46Å; R92-R96 WeakPolarHBondContact O-CG 3.49Å; R92-R96 PolarHBondContact O-N 3.4Å |
| 93 | T | 78.2 | Confident | 74.5 | Confident | 103 Ų | 103 | 88.1 Ų | 88.1 | 63% | 0.632 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.7 | -41.9 | -177.7 | -54.2 | 0 | 0 | 0 | 0 | 111 | G91 R96 V97 | G91-T93 VanDerWaalsContact C-N 3.31Å; G91-T93 PolarHBondContact O-N 2.62Å; T93-R96 PolarHBondContact O-N 2.71Å; T93-V97 WeakPolarHBondContact O-CG2 3.26Å; T93-V97 PolarHBondContact O-N 2.92Å |
| 94 | G | 82.1 | Confident | 76.2 | Confident | 14 Ų | 14 | 89.5 Ų | 89.5 | 14% | 0.144 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L90 R96 V97 W98 | L90-G94 WeakPolarHBondContact O-CA 3.21Å; L90-G94 PolarHBondContact O-N 3.04Å; G94-R96 VanDerWaalsContact C-N 3.28Å; G94-R96 PolarHBondContact O-N 3.04Å; G94-V97 PolarHBondContact O-N 2.54Å; G94-W98 VanDerWaalsContact O-CB 3.3Å; G94-W98 WeakPolarHBondContact O-CB 3.37Å; G94-W98 PolarHBondContact O-N 3.46Å |
| 95 | A | 83.6 | Confident | 78 | Confident | 18 Ų | 18 | 89.4 Ų | 89.4 | 15% | 0.149 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V75 Q79 L99 | V75-A95 HydrophobicContact CG1-CB 4.34Å; Q79-A95 HydrophobicContact CB-CB 4.36Å; A95-L99 VanDerWaalsContact O-CB 3.26Å; A95-L99 WeakPolarHBondContact O-CB 3.28Å; A95-L99 PolarHBondContact O-N 3.23Å |
| 96 | R | 85.3 | Confident | 80.2 | Confident | 117 Ų | 117 | 77.9 Ų | 77.9 | 44% | 0.442 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.8 | -43.6 | 176.5 | -69.2 | 171.9 | 177.8 | -174.9 | -6.9 | 112.4 | R92 T93 G94 L99 F100 | R92-R96 WeakPolarHBondContact O-CG 3.49Å; R92-R96 PolarHBondContact O-N 3.4Å; T93-R96 PolarHBondContact O-N 2.71Å; G94-R96 VanDerWaalsContact C-N 3.28Å; G94-R96 PolarHBondContact O-N 3.04Å; R96-L99 PolarHBondContact O-N 2.98Å; R96-F100 VanDerWaalsContact O-CB 3.28Å; R96-F100 WeakPolarHBondContact O-CB 2.99Å; R96-F100 PolarHBondContact O-N 3.22Å |
| 97 | V | 88.8 | Confident | 82.2 | Confident | 77 Ų | 77 | 77.9 Ų | 77.9 | 47% | 0.467 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | T93 G94 L99 F100 I101 | T93-V97 WeakPolarHBondContact O-CG2 3.26Å; T93-V97 PolarHBondContact O-N 2.92Å; G94-V97 PolarHBondContact O-N 2.54Å; V97-L99 PolarHBondContact O-N 3.45Å; V97-F100 WeakPolarHBondContact O-CB 3.49Å; V97-F100 PolarHBondContact O-N 3.06Å; V97-I101 HydrophobicContact CG1-CD1 3.84Å; V97-I101 HydrophobicContact CG1-CG1 4.39Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.48Å; V97-I101 PolarHBondContact O-N 3.47Å |
| 98 | W | 89.8 | Confident | 84.1 | Confident | 129 Ų | 129 | 72.3 Ų | 72.3 | 49% | 0.489 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 176.5 | -174.9 | -90.1 | 0 | 0 | 0 | 112.1 | M71 V75 G94 F100 I101 G102 | M71-W98 HydrophobicContact CB-CZ2 4.47Å; M71-W98 HydrophobicContact CE-CD2 3.96Å; M71-W98 HydrophobicContact CE-CE3 4.25Å; M71-W98 HydrophobicContact CE-CG 4.5Å; M71-W98 HydrophobicContact CE-CH2 4.2Å; M71-W98 HydrophobicContact CE-CZ2 3.9Å; M71-W98 HydrophobicContact CE-CZ3 4.36Å; M71-W98 HydrophobicContact CG-CZ2 3.77Å; M71-W98 PolarHBondContact O-NE1 2.85Å; M71-W98 HydrophobicContact SD-CZ2 4.47Å; V75-W98 VanDerWaalsContact CG2-CD1 3.43Å; V75-W98 HydrophobicContact CG2-CG 4.34Å; G94-W98 VanDerWaalsContact O-CB 3.3Å; G94-W98 WeakPolarHBondContact O-CB 3.37Å; G94-W98 PolarHBondContact O-N 3.46Å; W98-F100 VanDerWaalsContact C-N 3.35Å; W98-I101 PolarHBondContact O-N 3.31Å; W98-G102 PolarHBondContact O-N 3.32Å |
| 99 | L | 90.6 | Very high | 85.9 | Confident | 25 Ų | 25 | 70.7 Ų | 70.7 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.9 | -171.3 | 161.6 | 0 | 0 | 0 | 111.4 | V80 A95 R96 V97 G102 F103 | V80-L99 HydrophobicContact CG2-CD1 3.47Å; V80-L99 VanDerWaalsContact CG2-CD1 3.47Å; A95-L99 VanDerWaalsContact O-CB 3.26Å; A95-L99 WeakPolarHBondContact O-CB 3.28Å; A95-L99 PolarHBondContact O-N 3.23Å; R96-L99 PolarHBondContact O-N 2.98Å; V97-L99 PolarHBondContact O-N 3.45Å; L99-G102 PolarHBondContact O-N 2.93Å; L99-F103 HydrophobicContact CD2-CD2 3.4Å; L99-F103 HydrophobicContact CD2-CE2 3.29Å; L99-F103 HydrophobicContact CD2-CZ 4.45Å; L99-F103 HydrophobicContact CG-CD2 4.48Å; L99-F103 HydrophobicContact CG-CE2 4.29Å; L99-F103 PolarHBondContact O-N 2.87Å |
| 100 | F | 91.9 | Very high | 87.8 | Confident | 128 Ų | 128 | 65.6 Ų | 65.6 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 174.7 | -180 | -106.1 | 0 | 0 | 0 | 112.1 | R96 V97 W98 G102 F103 M104 | R96-F100 VanDerWaalsContact O-CB 3.28Å; R96-F100 WeakPolarHBondContact O-CB 2.99Å; R96-F100 PolarHBondContact O-N 3.22Å; V97-F100 WeakPolarHBondContact O-CB 3.49Å; V97-F100 PolarHBondContact O-N 3.06Å; W98-F100 VanDerWaalsContact C-N 3.35Å; F100-G102 VanDerWaalsContact C-N 3.29Å; F100-G102 PolarHBondContact O-N 2.74Å; F100-F103 PolarHBondContact O-N 3.24Å; F100-M104 HydrophobicContact CD1-CG 4.31Å; F100-M104 HydrophobicContact CD1-SD 3.74Å; F100-M104 HydrophobicContact CE1-CG 4Å; F100-M104 HydrophobicContact CE1-SD 3.16Å; F100-M104 WeakPolarHBondContact CE1-SD 3.26Å; F100-M104 HydrophobicContact CE2-CG 4.42Å; F100-M104 HydrophobicContact CZ-CG 4.04Å; F100-M104 HydrophobicContact CZ-SD 3.62Å; F100-M104 WeakPolarHBondContact O-CG 3.42Å; F100-M104 PolarHBondContact O-N 3.03Å |
| 101 | I | 93.9 | Very high | 89.5 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 175.1 | -66 | 167 | 0 | 0 | 0 | 110.4 | M71 V97 W98 F103 M104 L105 | M71-I101 HydrophobicContact CE-CB 4.22Å; M71-I101 HydrophobicContact CE-CG2 3.82Å; V97-I101 HydrophobicContact CG1-CD1 3.84Å; V97-I101 HydrophobicContact CG1-CG1 4.39Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.48Å; V97-I101 PolarHBondContact O-N 3.47Å; W98-I101 PolarHBondContact O-N 3.31Å; I101-F103 PolarHBondContact O-N 2.9Å; I101-M104 PolarHBondContact O-N 3.34Å; I101-L105 HydrophobicContact CG2-CD1 4.04Å; I101-L105 HydrophobicContact CG2-CG 4.33Å; I101-L105 WeakPolarHBondContact O-CG 3.4Å; I101-L105 PolarHBondContact O-N 3.44Å |
| 102 | G | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.7 | -48.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A68 W98 L99 F100 L105 M106 | A68-G102 WeakPolarHBondContact CB-O 3.46Å; W98-G102 PolarHBondContact O-N 3.32Å; L99-G102 PolarHBondContact O-N 2.93Å; F100-G102 VanDerWaalsContact C-N 3.29Å; F100-G102 PolarHBondContact O-N 2.74Å; G102-L105 PolarHBondContact O-N 3.48Å; G102-M106 WeakPolarHBondContact O-CB 3.31Å; G102-M106 PolarHBondContact O-N 3.41Å |
| 103 | F | 93.5 | Very high | 91.8 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 21% | 0.211 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 176.4 | -81.1 | -50.7 | 0 | 0 | 0 | 113.1 | I72 L99 F100 I101 L105 M106 F107 L146 F150 | I72-F103 HydrophobicContact CD1-CD1 3.58Å; I72-F103 HydrophobicContact CD1-CE1 3.81Å; I72-F103 HydrophobicContact CD1-CG 4.18Å; I72-F103 HydrophobicContact CG1-CD1 4.32Å; I72-F103 HydrophobicContact CG1-CE1 4.41Å; I72-F103 HydrophobicContact CG2-CE1 4.25Å; I72-F103 HydrophobicContact CG2-CZ 4.17Å; L99-F103 HydrophobicContact CD2-CD2 3.4Å; L99-F103 HydrophobicContact CD2-CE2 3.29Å; L99-F103 HydrophobicContact CD2-CZ 4.45Å; L99-F103 HydrophobicContact CG-CD2 4.48Å; L99-F103 HydrophobicContact CG-CE2 4.29Å; L99-F103 PolarHBondContact O-N 2.87Å; F100-F103 PolarHBondContact O-N 3.24Å; I101-F103 PolarHBondContact O-N 2.9Å; F103-L105 VanDerWaalsContact C-N 3.35Å; F103-L105 PolarHBondContact O-N 2.92Å; F103-M106 PolarHBondContact O-N 3.38Å; F103-F107 HydrophobicContact CB-CD2 4.4Å; F103-F107 HydrophobicContact CB-CE2 4.41Å; F103-F107 HydrophobicContact CD1-CE2 4.37Å; F103-F107 WeakPolarHBondContact O-CD2 3.13Å; F103-F107 PolarHBondContact O-N 2.9Å; F103-L146 HydrophobicContact CE1-CD2 4.37Å; F103-F150 HydrophobicContact CZ-CE2 4.47Å; F103-F150 HydrophobicContact CZ-CZ 4.26Å |
| 104 | M | 96.3 | Very high | 92.6 | Very high | 112 Ų | 112 | 58.3 Ų | 58.3 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 175.2 | -73 | -176.3 | 75.2 | 0 | 0 | 111.9 | F100 I101 M106 G108 | F100-M104 HydrophobicContact CD1-CG 4.31Å; F100-M104 HydrophobicContact CD1-SD 3.74Å; F100-M104 HydrophobicContact CE1-CG 4Å; F100-M104 HydrophobicContact CE1-SD 3.16Å; F100-M104 WeakPolarHBondContact CE1-SD 3.26Å; F100-M104 HydrophobicContact CE2-CG 4.42Å; F100-M104 HydrophobicContact CZ-CG 4.04Å; F100-M104 HydrophobicContact CZ-SD 3.62Å; F100-M104 WeakPolarHBondContact O-CG 3.42Å; F100-M104 PolarHBondContact O-N 3.03Å; I101-M104 PolarHBondContact O-N 3.34Å; M104-M106 VanDerWaalsContact C-N 3.34Å; M104-G108 PolarHBondContact O-N 3.42Å |
| 105 | L | 95.5 | Very high | 93.2 | Very high | 55 Ų | 55 | 66.9 Ų | 66.9 | 29% | 0.288 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 176.6 | -71.9 | 173 | 0 | 0 | 0 | 111.3 | F64 A68 M71 I101 G102 F103 G108 S109 | F64-L105 HydrophobicContact CD1-CD2 4.25Å; A68-L105 HydrophobicContact CB-CB 3.84Å; M71-L105 HydrophobicContact CE-CD1 4.44Å; M71-L105 HydrophobicContact SD-CD1 3.73Å; I101-L105 HydrophobicContact CG2-CD1 4.04Å; I101-L105 HydrophobicContact CG2-CG 4.33Å; I101-L105 WeakPolarHBondContact O-CG 3.4Å; I101-L105 PolarHBondContact O-N 3.44Å; G102-L105 PolarHBondContact O-N 3.48Å; F103-L105 VanDerWaalsContact C-N 3.35Å; F103-L105 PolarHBondContact O-N 2.92Å; L105-G108 PolarHBondContact O-N 3.38Å; L105-S109 WeakPolarHBondContact O-CB 3.39Å; L105-S109 PolarHBondContact O-N 3Å; L105-S109 PolarHBondContact O-OG 3.46Å |
| 106 | M | 95.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 179.2 | -173.9 | 64.4 | 70.7 | 0 | 0 | 113 | S65 A68 F69 I72 G102 F103 M104 S109 L110 I141 F142 T145 | S65-M106 WeakPolarHBondContact O-CE 3.47Å; A68-M106 HydrophobicContact CB-CB 3.88Å; A68-M106 HydrophobicContact CB-CE 3.68Å; A68-M106 HydrophobicContact CB-SD 4.45Å; F69-M106 HydrophobicContact CB-CE 4.23Å; I72-M106 HydrophobicContact CD1-CB 4.11Å; I72-M106 HydrophobicContact CD1-CE 4.17Å; G102-M106 WeakPolarHBondContact O-CB 3.31Å; G102-M106 PolarHBondContact O-N 3.41Å; F103-M106 PolarHBondContact O-N 3.38Å; M104-M106 VanDerWaalsContact C-N 3.34Å; M106-S109 PolarHBondContact O-OG 2.83Å; M106-L110 PolarHBondContact O-N 3.48Å; M106-I141 HydrophobicContact CE-CG2 4.41Å; M106-F142 HydrophobicContact CG-CD2 3.6Å; M106-F142 HydrophobicContact CG-CE2 4.22Å; M106-F142 HydrophobicContact SD-CB 4.21Å; M106-F142 HydrophobicContact SD-CD2 4.19Å; M106-T145 HydrophobicContact CE-CG2 3.9Å; M106-T145 WeakPolarHBondContact CE-OG1 3.43Å |
| 107 | F | 95.6 | Very high | 94 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.7 | -37.9 | 176 | -75.8 | -65.4 | 0 | 0 | 0 | 111.5 | F103 L110 I111 F142 | F103-F107 HydrophobicContact CB-CD2 4.4Å; F103-F107 HydrophobicContact CB-CE2 4.41Å; F103-F107 HydrophobicContact CD1-CE2 4.37Å; F103-F107 WeakPolarHBondContact O-CD2 3.13Å; F103-F107 PolarHBondContact O-N 2.9Å; F107-L110 PolarHBondContact O-N 3.29Å; F107-I111 VanDerWaalsContact O-CG1 3.26Å; F107-I111 WeakPolarHBondContact O-CG1 3.43Å; F107-I111 PolarHBondContact O-N 3.38Å; F107-F142 HydrophobicContact CD1-CE2 4.05Å; F107-F142 AromaticContact CE1-CE2 3.56Å; F107-F142 HydrophobicContact CE1-CE2 3.56Å; F107-F142 AromaticContact CE1-CZ 3.84Å; F107-F142 HydrophobicContact CE1-CZ 3.84Å; F107-F142 AromaticContact CZ-CE2 3.98Å; F107-F142 HydrophobicContact CZ-CE2 3.98Å; F107-F142 HydrophobicContact CZ-CZ 4.24Å |
| 108 | G | 96.2 | Very high | 94.2 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M104 L105 A112 | M104-G108 PolarHBondContact O-N 3.42Å; L105-G108 PolarHBondContact O-N 3.38Å; G108-A112 VanDerWaalsContact O-CB 3.26Å; G108-A112 WeakPolarHBondContact O-CB 3.47Å; G108-A112 PolarHBondContact O-N 2.79Å |
| 109 | S | 95.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 175.3 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | C61 S65 L105 M106 I111 A112 S113 | C61-S109 PolarHBondContact SG-O 3.22Å; S65-S109 WeakPolarHBondContact OG-CB 3.47Å; S65-S109 PolarHBondContact OG-OG 2.95Å; L105-S109 WeakPolarHBondContact O-CB 3.39Å; L105-S109 PolarHBondContact O-N 3Å; L105-S109 PolarHBondContact O-OG 3.46Å; M106-S109 PolarHBondContact O-OG 2.83Å; S109-I111 PolarHBondContact O-N 2.9Å; S109-A112 PolarHBondContact O-N 3.4Å; S109-S113 WeakPolarHBondContact O-CB 3.35Å; S109-S113 PolarHBondContact O-N 3.33Å |
| 110 | L | 95.7 | Very high | 94.1 | Very high | 38 Ų | 38 | 58.7 Ų | 58.7 | 20% | 0.199 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 176.5 | -171.4 | 66 | 0 | 0 | 0 | 112 | M106 F107 S113 M114 F135 N138 A139 F142 | M106-L110 PolarHBondContact O-N 3.48Å; F107-L110 PolarHBondContact O-N 3.29Å; L110-S113 PolarHBondContact O-N 3.43Å; L110-S113 PolarHBondContact O-OG 2.89Å; L110-M114 PolarHBondContact O-N 3.25Å; L110-F135 HydrophobicContact CD1-CE2 4.46Å; L110-N138 HydrophobicContact CD1-CB 4.29Å; L110-A139 HydrophobicContact CD1-CB 4.23Å; L110-F142 HydrophobicContact CD2-CD2 4.17Å; L110-F142 HydrophobicContact CD2-CE2 4.44Å; L110-F142 HydrophobicContact CD2-CG 4.26Å |
| 111 | I | 95.8 | Very high | 93.9 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 177 | -65.8 | 164.5 | 0 | 0 | 0 | 110.7 | F107 S109 S113 M114 W115 | F107-I111 VanDerWaalsContact O-CG1 3.26Å; F107-I111 WeakPolarHBondContact O-CG1 3.43Å; F107-I111 PolarHBondContact O-N 3.38Å; S109-I111 PolarHBondContact O-N 2.9Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 2.91Å; I111-M114 WeakPolarHBondContact O-CB 3.06Å; I111-M114 PolarHBondContact O-N 3.36Å; I111-W115 PolarHBondContact O-N 3.4Å |
| 112 | A | 95.6 | Very high | 93.8 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G108 S109 M114 W115 I116 | G108-A112 VanDerWaalsContact O-CB 3.26Å; G108-A112 WeakPolarHBondContact O-CB 3.47Å; G108-A112 PolarHBondContact O-N 2.79Å; S109-A112 PolarHBondContact O-N 3.4Å; A112-M114 VanDerWaalsContact C-N 3.32Å; A112-M114 PolarHBondContact O-N 2.91Å; A112-W115 WeakPolarHBondContact O-CB 3.31Å; A112-W115 PolarHBondContact O-N 3.46Å; A112-I116 WeakPolarHBondContact O-CG1 3.44Å; A112-I116 PolarHBondContact O-N 2.85Å |
| 113 | S | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 176.6 | 76.5 | 0 | 0 | 0 | 0 | 112.4 | S109 L110 I111 I116 L117 | S109-S113 WeakPolarHBondContact O-CB 3.35Å; S109-S113 PolarHBondContact O-N 3.33Å; L110-S113 PolarHBondContact O-N 3.43Å; L110-S113 PolarHBondContact O-OG 2.89Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 2.91Å; S113-I116 PolarHBondContact O-N 2.83Å; S113-L117 PolarHBondContact O-N 3.49Å |
| 114 | M | 95.3 | Very high | 93 | Very high | 85 Ų | 85 | 60.8 Ų | 60.8 | 42% | 0.419 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 174 | -166.9 | 74.1 | 101.9 | 0 | 0 | 111.2 | L110 I111 A112 L117 F118 F135 | L110-M114 PolarHBondContact O-N 3.25Å; I111-M114 WeakPolarHBondContact O-CB 3.06Å; I111-M114 PolarHBondContact O-N 3.36Å; A112-M114 VanDerWaalsContact C-N 3.32Å; A112-M114 PolarHBondContact O-N 2.91Å; M114-L117 PolarHBondContact O-N 3.42Å; M114-F118 HydrophobicContact CG-CD2 4.07Å; M114-F118 HydrophobicContact CG-CE2 4.16Å; M114-F118 WeakPolarHBondContact O-CD2 3.26Å; M114-F118 PolarHBondContact O-N 2.63Å; M114-F118 VanDerWaalsContact O-N 3.12Å; M114-F118 HydrophobicContact SD-CD2 4.09Å; M114-F118 HydrophobicContact SD-CE2 3.62Å; M114-F135 HydrophobicContact CB-CD2 4.48Å; M114-F135 HydrophobicContact CE-CE2 3.74Å; M114-F135 HydrophobicContact CE-CZ 4.07Å; M114-F135 HydrophobicContact SD-CD2 3.93Å; M114-F135 HydrophobicContact SD-CE2 3.48Å; M114-F135 WeakPolarHBondContact SD-CE2 3.47Å; M114-F135 HydrophobicContact SD-CZ 4.09Å |
| 115 | W | 94.7 | Very high | 92.2 | Very high | 195 Ų | 195 | 62.9 Ų | 62.9 | 74% | 0.739 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 174.5 | 178 | -96.1 | 0 | 0 | 0 | 112.1 | I111 A112 L117 F118 G119 | I111-W115 PolarHBondContact O-N 3.4Å; A112-W115 WeakPolarHBondContact O-CB 3.31Å; A112-W115 PolarHBondContact O-N 3.46Å; W115-L117 PolarHBondContact O-N 3.06Å; W115-F118 PolarHBondContact O-N 2.87Å; W115-G119 VanDerWaalsContact O-CA 3.31Å; W115-G119 WeakPolarHBondContact O-CA 3.29Å; W115-G119 PolarHBondContact O-N 3.44Å |
| 116 | I | 92.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -59.8 | -47.3 | 177 | -69.3 | 165.1 | 0 | 0 | 0 | 110.3 | F58 C61 A112 S113 A120 Y121 V134 | F58-I116 HydrophobicContact CB-CD1 4.28Å; F58-I116 HydrophobicContact CD1-CD1 3.63Å; F58-I116 HydrophobicContact CD1-CG1 3.89Å; F58-I116 HydrophobicContact CD1-CG2 4.06Å; F58-I116 HydrophobicContact CD2-CG2 4.07Å; F58-I116 HydrophobicContact CE1-CD1 4.27Å; F58-I116 HydrophobicContact CE1-CG1 4.03Å; F58-I116 HydrophobicContact CE1-CG2 4.18Å; F58-I116 HydrophobicContact CE2-CG2 4.18Å; F58-I116 HydrophobicContact CG-CD1 4.15Å; F58-I116 HydrophobicContact CG-CG2 4.01Å; F58-I116 HydrophobicContact CZ-CG2 4.24Å; C61-I116 HydrophobicContact CB-CD1 4.43Å; A112-I116 WeakPolarHBondContact O-CG1 3.44Å; A112-I116 PolarHBondContact O-N 2.85Å; S113-I116 PolarHBondContact O-N 2.83Å; I116-A120 VanDerWaalsContact O-CB 3.28Å; I116-A120 WeakPolarHBondContact O-CB 3.27Å; I116-A120 PolarHBondContact O-N 2.87Å; I116-Y121 HydrophobicContact CG2-CD2 4.15Å; I116-Y121 HydrophobicContact CG2-CE2 3.85Å; I116-Y121 WeakPolarHBondContact O-CD2 3.43Å; I116-V134 HydrophobicContact CD1-CG1 4.22Å |
| 117 | L | 93.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | I | π-helix | trans | -55.9 | -56.8 | 178.2 | 172 | 61.9 | 0 | 0 | 0 | 111.7 | S113 M114 W115 Y121 V122 V128 L132 F135 | S113-L117 PolarHBondContact O-N 3.49Å; M114-L117 PolarHBondContact O-N 3.42Å; W115-L117 PolarHBondContact O-N 3.06Å; L117-Y121 WeakPolarHBondContact O-CB 3.48Å; L117-Y121 PolarHBondContact O-N 3.17Å; L117-V122 HydrophobicContact CD1-CG2 4.37Å; L117-V122 WeakPolarHBondContact O-CG2 3.33Å; L117-V122 PolarHBondContact O-N 3.31Å; L117-V122 VanDerWaalsContact O-N 3.07Å; L117-V128 HydrophobicContact CD1-CG1 3.84Å; L117-L132 HydrophobicContact CD1-CB 4.49Å; L117-L132 HydrophobicContact CD1-CD2 3.79Å; L117-L132 HydrophobicContact CD1-CG 3.8Å; L117-L132 HydrophobicContact CD2-CD2 4.11Å; L117-F135 HydrophobicContact CB-CB 4.39Å; L117-F135 HydrophobicContact CD2-CB 4.13Å; L117-F135 HydrophobicContact CD2-CD1 4.33Å; L117-F135 HydrophobicContact CD2-CG 4.1Å |
| 118 | F | 93.1 | Very high | 90.7 | Very high | 111 Ų | 111 | 65.4 Ų | 65.4 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -78.2 | -46.1 | -174.2 | -73.5 | -70.9 | 0 | 0 | 0 | 112.9 | M114 W115 V122 T123 | M114-F118 HydrophobicContact CG-CD2 4.07Å; M114-F118 HydrophobicContact CG-CE2 4.16Å; M114-F118 WeakPolarHBondContact O-CD2 3.26Å; M114-F118 PolarHBondContact O-N 2.63Å; M114-F118 VanDerWaalsContact O-N 3.12Å; M114-F118 HydrophobicContact SD-CD2 4.09Å; M114-F118 HydrophobicContact SD-CE2 3.62Å; W115-F118 PolarHBondContact O-N 2.87Å; F118-V122 HydrophobicContact CD1-CB 4.13Å; F118-V122 HydrophobicContact CD1-CG1 4.25Å; F118-V122 HydrophobicContact CD1-CG2 3.95Å; F118-V122 HydrophobicContact CE1-CG2 4.41Å; F118-V122 PolarHBondContact O-N 2.93Å; F118-T123 WeakPolarHBondContact O-CG2 3.49Å; F118-T123 PolarHBondContact O-N 3.23Å; F118-T123 PolarHBondContact O-OG1 2.96Å |
| 119 | G | 90.4 | Very high | 90.4 | Very high | 23 Ų | 23 | 68 Ų | 68 | 24% | 0.237 | 36% | 0.355 | C | S | . | . | I | π-helix | trans | -78.9 | -34.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W115 T123 | W115-G119 VanDerWaalsContact O-CA 3.31Å; W115-G119 WeakPolarHBondContact O-CA 3.29Å; W115-G119 PolarHBondContact O-N 3.44Å; G119-T123 PolarHBondContact O-OG1 3Å |
| 120 | A | 87.1 | Confident | 90.2 | Very high | 34 Ų | 34 | 67.8 Ų | 67.8 | 28% | 0.281 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -96.6 | -27.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F58 I116 Q124 | F58-A120 HydrophobicContact CZ-CB 4.03Å; I116-A120 VanDerWaalsContact O-CB 3.28Å; I116-A120 WeakPolarHBondContact O-CB 3.27Å; I116-A120 PolarHBondContact O-N 2.87Å; A120-Q124 VanDerWaalsContact O-CG 3.3Å; A120-Q124 WeakPolarHBondContact O-CG 3.12Å |
| 121 | Y | 88.4 | Confident | 90 | Very high | 11 Ų | 11 | 66 Ų | 66 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -113.5 | -54.2 | -174.1 | -68 | -79.5 | 0 | 0 | 0 | 113.9 | Q53 M54 F58 I116 L117 Q124 N125 T126 N127 P130 | Q53-Y121 VanDerWaalsContact O-CE1 3.3Å; Q53-Y121 WeakPolarHBondContact O-CE1 3.22Å; Q53-Y121 PolarHBondContact O-OH 2.93Å; M54-Y121 WeakPolarHBondContact CA-OH 3.25Å; F58-Y121 HydrophobicContact CD2-CE2 4.16Å; F58-Y121 AromaticContact CE2-CE2 3.82Å; F58-Y121 HydrophobicContact CE2-CE2 3.82Å; F58-Y121 AromaticContact CE2-CZ 3.96Å; F58-Y121 WeakPolarHBondContact CE2-OH 3.26Å; I116-Y121 HydrophobicContact CG2-CD2 4.15Å; I116-Y121 HydrophobicContact CG2-CE2 3.85Å; I116-Y121 WeakPolarHBondContact O-CD2 3.43Å; L117-Y121 WeakPolarHBondContact O-CB 3.48Å; L117-Y121 PolarHBondContact O-N 3.17Å; Y121-Q124 PolarHBondContact O-N 2.91Å; Y121-N125 PolarHBondContact O-N 3.18Å; Y121-T126 PolarHBondContact O-N 3.41Å; Y121-T126 PolarHBondContact O-OG1 3.28Å; Y121-N127 WeakPolarHBondContact CD1-O 3.43Å; Y121-P130 HydrophobicContact CE1-CB 3.89Å; Y121-P130 HydrophobicContact CE1-CG 3.97Å; Y121-P130 HydrophobicContact CE2-CB 4.47Å |
| 122 | V | 90.5 | Very high | 89.9 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -66.4 | -46.3 | -175.2 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | L117 F118 Q124 N125 V128 | L117-V122 HydrophobicContact CD1-CG2 4.37Å; L117-V122 WeakPolarHBondContact O-CG2 3.33Å; L117-V122 PolarHBondContact O-N 3.31Å; L117-V122 VanDerWaalsContact O-N 3.07Å; F118-V122 HydrophobicContact CD1-CB 4.13Å; F118-V122 HydrophobicContact CD1-CG1 4.25Å; F118-V122 HydrophobicContact CD1-CG2 3.95Å; F118-V122 HydrophobicContact CE1-CG2 4.41Å; F118-V122 PolarHBondContact O-N 2.93Å; V122-Q124 VanDerWaalsContact C-N 3.32Å; V122-Q124 PolarHBondContact O-N 3.25Å; V122-N125 PolarHBondContact O-N 3.44Å; V122-V128 HydrophobicContact CG2-CG1 3.85Å |
| 123 | T | 89 | Confident | 89.8 | Confident | 92 Ų | 92 | 61.6 Ų | 61.6 | 56% | 0.564 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.4 | -178.9 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | F118 G119 N125 | F118-T123 WeakPolarHBondContact O-CG2 3.49Å; F118-T123 PolarHBondContact O-N 3.23Å; F118-T123 PolarHBondContact O-OG1 2.96Å; G119-T123 PolarHBondContact O-OG1 3Å; T123-N125 VanDerWaalsContact C-N 3.3Å |
| 124 | Q | 83.6 | Confident | 89.9 | Confident | 129 Ų | 129 | 61.6 Ų | 61.6 | 60% | 0.603 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -1.9 | -178.5 | -62.2 | -66.8 | -29.1 | 0 | 0 | 113 | A120 Y121 V122 T126 | A120-Q124 VanDerWaalsContact O-CG 3.3Å; A120-Q124 WeakPolarHBondContact O-CG 3.12Å; Y121-Q124 PolarHBondContact O-N 2.91Å; V122-Q124 VanDerWaalsContact C-N 3.32Å; V122-Q124 PolarHBondContact O-N 3.25Å; Q124-T126 HydrophobicContact CB-CG2 4.03Å; Q124-T126 PolarHBondContact O-N 3.42Å; Q124-T126 VanDerWaalsContact O-N 3.1Å |
| 125 | N | 78.3 | Confident | 89.9 | Confident | 156 Ų | 156 | 59.5 Ų | 59.5 | 83% | 0.834 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 30.8 | -173.8 | -72.7 | -67.7 | 0 | 0 | 0 | 113.5 | Y121 V122 T123 | Y121-N125 PolarHBondContact O-N 3.18Å; V122-N125 PolarHBondContact O-N 3.44Å; T123-N125 VanDerWaalsContact C-N 3.3Å |
| 126 | T | 80 | Confident | 90 | Very high | 68 Ų | 68 | 55 Ų | 55 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -87.3 | 176.1 | 172.9 | 55.8 | 0 | 0 | 0 | 0 | 110 | Y121 Q124 V128 | Y121-T126 PolarHBondContact O-N 3.41Å; Y121-T126 PolarHBondContact O-OG1 3.28Å; Q124-T126 HydrophobicContact CB-CG2 4.03Å; Q124-T126 PolarHBondContact O-N 3.42Å; Q124-T126 VanDerWaalsContact O-N 3.1Å; T126-V128 PolarHBondContact O-N 3.23Å; T126-V128 VanDerWaalsContact O-N 3.09Å |
| 127 | N | 85.3 | Confident | 90.2 | Very high | 94 Ų | 94 | 54.2 Ų | 54.2 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | trans | -61.6 | 118 | 175.5 | -168.7 | -26.1 | 0 | 0 | 0 | 109.6 | Y48 Y121 Y129 P130 | Y48-N127 HydrophobicContact CE1-CB 4.5Å; Y48-N127 PolarHBondContact OH-ND2 2.94Å; Y121-N127 WeakPolarHBondContact CD1-O 3.43Å; N127-Y129 VanDerWaalsContact C-N 3.28Å; N127-Y129 PolarHBondContact O-N 2.92Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.28Å; N127-Y129 PolarHBondContact OD1-N 3.4Å; N127-Y129 VanDerWaalsContact OD1-N 3.16Å; N127-P130 WeakPolarHBondContact O-CD 3.22Å | ||
| 128 | V | 90.3 | Very high | 90.4 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 30% | 0.297 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -77.1 | -15.5 | -171.8 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | L117 V122 T126 G131 L132 | L117-V128 HydrophobicContact CD1-CG1 3.84Å; V122-V128 HydrophobicContact CG2-CG1 3.85Å; T126-V128 PolarHBondContact O-N 3.23Å; T126-V128 VanDerWaalsContact O-N 3.09Å; V128-G131 PolarHBondContact O-N 2.91Å; V128-G131 VanDerWaalsContact O-N 3.15Å; V128-L132 HydrophobicContact CG1-CD1 4.19Å; V128-L132 HydrophobicContact CG1-CG 4.14Å; V128-L132 PolarHBondContact O-N 3.28Å |
| 129 | Y | 90.1 | Very high | 90.6 | Very high | 91 Ų | 91 | 49 Ų | 49 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -54.9 | -46.3 | -174.9 | -174.6 | -82.5 | 0 | 0 | 0 | 114.6 | D43 A44 Y48 N127 G131 L132 A133 | D43-Y129 PolarHBondContact OD2-OH 3.42Å; A44-Y129 HydrophobicContact CB-CE1 4.16Å; Y48-Y129 HydrophobicContact CD2-CD1 4.3Å; Y48-Y129 AromaticContact CE2-CD1 3.42Å; Y48-Y129 HydrophobicContact CE2-CD1 3.42Å; Y48-Y129 VanDerWaalsContact CE2-CD1 3.42Å; Y48-Y129 HydrophobicContact CE2-CE1 4.09Å; Y48-Y129 HydrophobicContact CE2-CG 4.18Å; N127-Y129 VanDerWaalsContact C-N 3.28Å; N127-Y129 PolarHBondContact O-N 2.92Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.28Å; N127-Y129 PolarHBondContact OD1-N 3.4Å; N127-Y129 VanDerWaalsContact OD1-N 3.16Å; Y129-G131 VanDerWaalsContact C-N 3.32Å; Y129-G131 PolarHBondContact O-N 3.48Å; Y129-L132 WeakPolarHBondContact O-CB 3.02Å; Y129-L132 PolarHBondContact O-N 2.86Å; Y129-L132 VanDerWaalsContact O-N 3.17Å; Y129-A133 PolarHBondContact O-N 3.38Å |
| 130 | P | 91.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 179.4 | -17.5 | 31.6 | 0 | 0 | 0 | 112.3 | Y48 M54 Y121 N127 A133 V134 | Y48-P130 HydrophobicContact CD1-CG 3.99Å; Y48-P130 HydrophobicContact CD2-CG 3.75Å; Y48-P130 HydrophobicContact CE1-CG 4.1Å; Y48-P130 HydrophobicContact CE2-CG 3.91Å; Y48-P130 HydrophobicContact CG-CG 3.79Å; M54-P130 HydrophobicContact CB-CB 4.45Å; M54-P130 HydrophobicContact CG-CB 4.37Å; M54-P130 HydrophobicContact SD-CB 4.48Å; Y121-P130 HydrophobicContact CE1-CB 3.89Å; Y121-P130 HydrophobicContact CE1-CG 3.97Å; Y121-P130 HydrophobicContact CE2-CB 4.47Å; N127-P130 WeakPolarHBondContact O-CD 3.22Å; P130-A133 PolarHBondContact O-N 2.79Å; P130-V134 WeakPolarHBondContact O-CG2 3.35Å; P130-V134 PolarHBondContact O-N 2.88Å |
| 131 | G | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V128 Y129 V134 F135 | V128-G131 PolarHBondContact O-N 2.91Å; V128-G131 VanDerWaalsContact O-N 3.15Å; Y129-G131 VanDerWaalsContact C-N 3.32Å; Y129-G131 PolarHBondContact O-N 3.48Å; G131-V134 PolarHBondContact O-N 2.97Å; G131-F135 PolarHBondContact O-N 2.89Å |
| 132 | L | 93.6 | Very high | 91.8 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.1 | -75.2 | 167.2 | 0 | 0 | 0 | 111.2 | L117 V128 Y129 V134 F135 F136 | L117-L132 HydrophobicContact CD1-CB 4.49Å; L117-L132 HydrophobicContact CD1-CD2 3.79Å; L117-L132 HydrophobicContact CD1-CG 3.8Å; L117-L132 HydrophobicContact CD2-CD2 4.11Å; V128-L132 HydrophobicContact CG1-CD1 4.19Å; V128-L132 HydrophobicContact CG1-CG 4.14Å; V128-L132 PolarHBondContact O-N 3.28Å; Y129-L132 WeakPolarHBondContact O-CB 3.02Å; Y129-L132 PolarHBondContact O-N 2.86Å; Y129-L132 VanDerWaalsContact O-N 3.17Å; L132-V134 PolarHBondContact O-N 3.31Å; L132-F135 PolarHBondContact O-N 2.68Å; L132-F136 HydrophobicContact CB-CD2 4.24Å; L132-F136 HydrophobicContact CB-CE2 4.36Å; L132-F136 HydrophobicContact CD2-CE2 4.09Å; L132-F136 WeakPolarHBondContact O-CB 3.31Å; L132-F136 WeakPolarHBondContact O-CD2 3.4Å; L132-F136 PolarHBondContact O-N 2.75Å |
| 133 | A | 94.5 | Very high | 92 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | I40 A44 Y129 P130 F136 Q137 | I40-A133 HydrophobicContact CG2-CB 3.78Å; A44-A133 HydrophobicContact CB-CB 3.45Å; A44-A133 VanDerWaalsContact CB-CB 3.45Å; Y129-A133 PolarHBondContact O-N 3.38Å; P130-A133 PolarHBondContact O-N 2.79Å; A133-F136 PolarHBondContact O-N 3.21Å; A133-Q137 WeakPolarHBondContact O-CB 3.48Å; A133-Q137 PolarHBondContact O-N 3.09Å |
| 134 | V | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 111 | M41 F58 C61 I116 P130 G131 L132 N138 | M41-V134 HydrophobicContact CE-CG2 3.9Å; M41-V134 HydrophobicContact SD-CG2 3.96Å; F58-V134 HydrophobicContact CB-CG2 4.2Å; C61-V134 HydrophobicContact CB-CG1 4.49Å; I116-V134 HydrophobicContact CD1-CG1 4.22Å; P130-V134 WeakPolarHBondContact O-CG2 3.35Å; P130-V134 PolarHBondContact O-N 2.88Å; G131-V134 PolarHBondContact O-N 2.97Å; L132-V134 PolarHBondContact O-N 3.31Å; V134-N138 PolarHBondContact O-N 3.03Å; V134-N138 PolarHBondContact O-ND2 3.23Å |
| 135 | F | 96.4 | Very high | 92.9 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 18% | 0.18 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -49.8 | 177 | 174.8 | -103.8 | 0 | 0 | 0 | 112.2 | L110 M114 L117 G131 L132 Q137 N138 A139 | L110-F135 HydrophobicContact CD1-CE2 4.46Å; M114-F135 HydrophobicContact CB-CD2 4.48Å; M114-F135 HydrophobicContact CE-CE2 3.74Å; M114-F135 HydrophobicContact CE-CZ 4.07Å; M114-F135 HydrophobicContact SD-CD2 3.93Å; M114-F135 HydrophobicContact SD-CE2 3.48Å; M114-F135 WeakPolarHBondContact SD-CE2 3.47Å; M114-F135 HydrophobicContact SD-CZ 4.09Å; L117-F135 HydrophobicContact CB-CB 4.39Å; L117-F135 HydrophobicContact CD2-CB 4.13Å; L117-F135 HydrophobicContact CD2-CD1 4.33Å; L117-F135 HydrophobicContact CD2-CG 4.1Å; G131-F135 PolarHBondContact O-N 2.89Å; L132-F135 PolarHBondContact O-N 2.68Å; F135-Q137 VanDerWaalsContact C-N 3.33Å; F135-Q137 PolarHBondContact O-N 3.36Å; F135-N138 PolarHBondContact O-N 3.33Å; F135-A139 WeakPolarHBondContact O-CB 3.26Å; F135-A139 PolarHBondContact O-N 3.26Å |
| 136 | F | 96.4 | Very high | 93.6 | Very high | 100 Ų | 100 | 35.3 Ų | 35.3 | 44% | 0.439 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 179.6 | -82.9 | -64.5 | 0 | 0 | 0 | 112.2 | I40 L132 A133 N138 A139 L140 | I40-F136 HydrophobicContact CD1-CB 4.33Å; L132-F136 HydrophobicContact CB-CD2 4.24Å; L132-F136 HydrophobicContact CB-CE2 4.36Å; L132-F136 HydrophobicContact CD2-CE2 4.09Å; L132-F136 WeakPolarHBondContact O-CB 3.31Å; L132-F136 WeakPolarHBondContact O-CD2 3.4Å; L132-F136 PolarHBondContact O-N 2.75Å; A133-F136 PolarHBondContact O-N 3.21Å; F136-N138 PolarHBondContact O-N 3.4Å; F136-A139 PolarHBondContact O-N 2.69Å; F136-L140 VanDerWaalsContact O-CB 3.27Å; F136-L140 WeakPolarHBondContact O-CB 3.38Å; F136-L140 WeakPolarHBondContact O-CD1 2.96Å; F136-L140 WeakPolarHBondContact O-CG 3.31Å; F136-L140 PolarHBondContact O-N 3.47Å |
| 137 | Q | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.2 | -52.3 | 172.6 | 178.1 | -175.1 | 27.4 | 0 | 0 | 110.9 | G37 M41 A133 F135 L140 I141 | G37-Q137 WeakPolarHBondContact O-CG 3.42Å; M41-Q137 HydrophobicContact CB-CB 4.49Å; M41-Q137 HydrophobicContact CB-CG 4.31Å; M41-Q137 VanDerWaalsContact CG-OE1 3.27Å; M41-Q137 PolarHBondContact SD-OE1 2.81Å; A133-Q137 WeakPolarHBondContact O-CB 3.48Å; A133-Q137 PolarHBondContact O-N 3.09Å; F135-Q137 VanDerWaalsContact C-N 3.33Å; F135-Q137 PolarHBondContact O-N 3.36Å; Q137-L140 PolarHBondContact O-N 3.42Å; Q137-I141 HydrophobicContact CG-CD1 3.81Å; Q137-I141 VanDerWaalsContact O-CG1 3.25Å; Q137-I141 WeakPolarHBondContact O-CG1 3.17Å; Q137-I141 PolarHBondContact O-N 3.21Å |
| 138 | N | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | -177.6 | -74.4 | -84.2 | 0 | 0 | 0 | 112 | C61 S65 L110 V134 F135 F136 F142 | C61-N138 PolarHBondContact O-OD1 3.26Å; C61-N138 PolarHBondContact SG-ND2 3.46Å; C61-N138 VanDerWaalsContact SG-ND2 3.42Å; C61-N138 PolarHBondContact SG-OD1 3.25Å; C61-N138 VanDerWaalsContact SG-OD1 3.4Å; S65-N138 WeakPolarHBondContact CB-OD1 3.33Å; S65-N138 PolarHBondContact OG-OD1 2.74Å; L110-N138 HydrophobicContact CD1-CB 4.29Å; V134-N138 PolarHBondContact O-N 3.03Å; V134-N138 PolarHBondContact O-ND2 3.23Å; F135-N138 PolarHBondContact O-N 3.33Å; F136-N138 PolarHBondContact O-N 3.4Å; N138-F142 VanDerWaalsContact O-CB 3.28Å; N138-F142 WeakPolarHBondContact O-CB 3.41Å; N138-F142 PolarHBondContact O-N 3.06Å |
| 139 | A | 97.2 | Very high | 94.4 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 10% | 0.099 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L110 F135 F136 F142 F143 | L110-A139 HydrophobicContact CD1-CB 4.23Å; F135-A139 WeakPolarHBondContact O-CB 3.26Å; F135-A139 PolarHBondContact O-N 3.26Å; F136-A139 PolarHBondContact O-N 2.69Å; A139-F142 WeakPolarHBondContact O-CB 3.4Å; A139-F142 PolarHBondContact O-N 3.09Å; A139-F143 WeakPolarHBondContact O-CD2 3.44Å; A139-F143 PolarHBondContact O-N 2.86Å |
| 140 | L | 97.3 | Very high | 94.2 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 178.8 | -70.9 | 168.9 | 0 | 0 | 0 | 111.8 | L33 I40 F136 Q137 F142 F143 S144 | L33-L140 HydrophobicContact CD2-CD2 3.69Å; I40-L140 HydrophobicContact CD1-CD1 3.63Å; F136-L140 VanDerWaalsContact O-CB 3.27Å; F136-L140 WeakPolarHBondContact O-CB 3.38Å; F136-L140 WeakPolarHBondContact O-CD1 2.96Å; F136-L140 WeakPolarHBondContact O-CG 3.31Å; F136-L140 PolarHBondContact O-N 3.47Å; Q137-L140 PolarHBondContact O-N 3.42Å; L140-F142 VanDerWaalsContact C-N 3.33Å; L140-F143 PolarHBondContact O-N 3.05Å; L140-S144 VanDerWaalsContact O-CB 3.25Å; L140-S144 WeakPolarHBondContact O-CB 3.3Å; L140-S144 PolarHBondContact O-N 3.26Å |
| 141 | I | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 174.3 | -65.7 | 167.6 | 0 | 0 | 0 | 111 | F34 S65 F69 M106 Q137 S144 T145 | F34-I141 HydrophobicContact CD2-CG1 4.08Å; F34-I141 HydrophobicContact CD2-CG2 4.34Å; F34-I141 HydrophobicContact CE2-CG1 4.34Å; F34-I141 HydrophobicContact CE2-CG2 4.43Å; S65-I141 WeakPolarHBondContact O-CG2 3.39Å; F69-I141 HydrophobicContact CB-CG2 4.02Å; M106-I141 HydrophobicContact CE-CG2 4.41Å; Q137-I141 HydrophobicContact CG-CD1 3.81Å; Q137-I141 VanDerWaalsContact O-CG1 3.25Å; Q137-I141 WeakPolarHBondContact O-CG1 3.17Å; Q137-I141 PolarHBondContact O-N 3.21Å; I141-S144 WeakPolarHBondContact O-CB 3.37Å; I141-S144 PolarHBondContact O-N 3.34Å; I141-T145 PolarHBondContact O-N 2.9Å; I141-T145 PolarHBondContact O-OG1 2.9Å |
| 142 | F | 96.6 | Very high | 93.2 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 11% | 0.114 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.7 | -53 | 173.5 | 175.6 | -93.7 | 0 | 0 | 0 | 111.5 | M106 F107 L110 N138 A139 L140 S144 T145 L146 | M106-F142 HydrophobicContact CG-CD2 3.6Å; M106-F142 HydrophobicContact CG-CE2 4.22Å; M106-F142 HydrophobicContact SD-CB 4.21Å; M106-F142 HydrophobicContact SD-CD2 4.19Å; F107-F142 HydrophobicContact CD1-CE2 4.05Å; F107-F142 AromaticContact CE1-CE2 3.56Å; F107-F142 HydrophobicContact CE1-CE2 3.56Å; F107-F142 AromaticContact CE1-CZ 3.84Å; F107-F142 HydrophobicContact CE1-CZ 3.84Å; F107-F142 AromaticContact CZ-CE2 3.98Å; F107-F142 HydrophobicContact CZ-CE2 3.98Å; F107-F142 HydrophobicContact CZ-CZ 4.24Å; L110-F142 HydrophobicContact CD2-CD2 4.17Å; L110-F142 HydrophobicContact CD2-CE2 4.44Å; L110-F142 HydrophobicContact CD2-CG 4.26Å; N138-F142 VanDerWaalsContact O-CB 3.28Å; N138-F142 WeakPolarHBondContact O-CB 3.41Å; N138-F142 PolarHBondContact O-N 3.06Å; A139-F142 WeakPolarHBondContact O-CB 3.4Å; A139-F142 PolarHBondContact O-N 3.09Å; L140-F142 VanDerWaalsContact C-N 3.33Å; F142-S144 PolarHBondContact O-N 2.85Å; F142-T145 WeakPolarHBondContact O-CB 3.29Å; F142-T145 PolarHBondContact O-N 3.29Å; F142-T145 VanDerWaalsContact O-N 3.17Å; F142-L146 HydrophobicContact CD1-CD1 3.97Å; F142-L146 HydrophobicContact CE1-CD1 3.31Å; F142-L146 HydrophobicContact CE1-CG 4.17Å; F142-L146 HydrophobicContact CE2-CD1 4.45Å; F142-L146 HydrophobicContact CZ-CD1 3.59Å; F142-L146 HydrophobicContact CZ-CG 4.26Å; F142-L146 PolarHBondContact O-N 2.87Å |
| 143 | F | 96.1 | Very high | 92.1 | Very high | 109 Ų | 109 | 37.7 Ų | 37.7 | 48% | 0.478 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 178 | -70 | -59.2 | 0 | 0 | 0 | 112.4 | L33 A139 L140 T145 L146 I147 | L33-F143 HydrophobicContact CD1-CB 4.23Å; A139-F143 WeakPolarHBondContact O-CD2 3.44Å; A139-F143 PolarHBondContact O-N 2.86Å; L140-F143 PolarHBondContact O-N 3.05Å; F143-T145 VanDerWaalsContact C-N 3.26Å; F143-T145 PolarHBondContact O-N 3.46Å; F143-L146 PolarHBondContact O-N 3.36Å; F143-I147 WeakPolarHBondContact O-CB 3.46Å; F143-I147 VanDerWaalsContact O-CG1 3.28Å; F143-I147 WeakPolarHBondContact O-CG1 3.23Å; F143-I147 PolarHBondContact O-N 2.95Å |
| 144 | S | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.1 | -44.3 | 173 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | A30 F69 L140 I141 F142 I147 Y148 | A30-S144 WeakPolarHBondContact O-CB 3.21Å; A30-S144 PolarHBondContact O-OG 3.37Å; F69-S144 VanDerWaalsContact CE2-OG 3.26Å; F69-S144 WeakPolarHBondContact CE2-OG 3.33Å; L140-S144 VanDerWaalsContact O-CB 3.25Å; L140-S144 WeakPolarHBondContact O-CB 3.3Å; L140-S144 PolarHBondContact O-N 3.26Å; I141-S144 WeakPolarHBondContact O-CB 3.37Å; I141-S144 PolarHBondContact O-N 3.34Å; F142-S144 PolarHBondContact O-N 2.85Å; S144-I147 PolarHBondContact O-N 2.84Å; S144-Y148 VanDerWaalsContact O-CB 3.31Å; S144-Y148 WeakPolarHBondContact O-CB 3.29Å; S144-Y148 PolarHBondContact O-N 2.86Å |
| 145 | T | 94.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 177.9 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | F69 I72 N73 M106 I141 F142 F143 Y148 K149 | F69-T145 WeakPolarHBondContact CD2-OG1 3.49Å; I72-T145 HydrophobicContact CB-CG2 3.8Å; I72-T145 HydrophobicContact CD1-CG2 3.71Å; I72-T145 HydrophobicContact CG1-CG2 4.37Å; I72-T145 HydrophobicContact CG2-CG2 3.72Å; N73-T145 PolarHBondContact OD1-O 2.97Å; M106-T145 HydrophobicContact CE-CG2 3.9Å; M106-T145 WeakPolarHBondContact CE-OG1 3.43Å; I141-T145 PolarHBondContact O-N 2.9Å; I141-T145 PolarHBondContact O-OG1 2.9Å; F142-T145 WeakPolarHBondContact O-CB 3.29Å; F142-T145 PolarHBondContact O-N 3.29Å; F142-T145 VanDerWaalsContact O-N 3.17Å; F143-T145 VanDerWaalsContact C-N 3.26Å; F143-T145 PolarHBondContact O-N 3.46Å; T145-Y148 PolarHBondContact O-N 3.04Å; T145-K149 WeakPolarHBondContact O-CB 3.39Å; T145-K149 PolarHBondContact O-N 3.29Å |
| 146 | L | 92.8 | Very high | 86.2 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64 | -43.3 | -179.6 | -65 | -177.6 | 0 | 0 | 0 | 112 | F103 F142 F143 K149 F150 | F103-L146 HydrophobicContact CE1-CD2 4.37Å; F142-L146 HydrophobicContact CD1-CD1 3.97Å; F142-L146 HydrophobicContact CE1-CD1 3.31Å; F142-L146 HydrophobicContact CE1-CG 4.17Å; F142-L146 HydrophobicContact CE2-CD1 4.45Å; F142-L146 HydrophobicContact CZ-CD1 3.59Å; F142-L146 HydrophobicContact CZ-CG 4.26Å; F142-L146 PolarHBondContact O-N 2.87Å; F143-L146 PolarHBondContact O-N 3.36Å; L146-K149 PolarHBondContact O-N 2.96Å; L146-F150 HydrophobicContact CB-CD2 4.37Å; L146-F150 HydrophobicContact CD2-CD2 4.09Å; L146-F150 HydrophobicContact CD2-CE2 3.72Å; L146-F150 WeakPolarHBondContact O-CB 3.41Å; L146-F150 WeakPolarHBondContact O-CD2 3.49Å; L146-F150 PolarHBondContact O-N 3.33Å |
| 147 | I | 92.8 | Very high | 83.7 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 179.4 | -67.8 | 174.6 | 0 | 0 | 0 | 110.5 | A26 V29 A30 L33 F143 S144 G151 | A26-I147 HydrophobicContact CB-CG2 4.45Å; V29-I147 HydrophobicContact CB-CG2 4.34Å; V29-I147 HydrophobicContact CG1-CD1 3.86Å; V29-I147 HydrophobicContact CG1-CG2 4.16Å; A30-I147 HydrophobicContact CB-CG2 4.31Å; L33-I147 HydrophobicContact CD1-CD1 3.51Å; F143-I147 WeakPolarHBondContact O-CB 3.46Å; F143-I147 VanDerWaalsContact O-CG1 3.28Å; F143-I147 WeakPolarHBondContact O-CG1 3.23Å; F143-I147 PolarHBondContact O-N 2.95Å; S144-I147 PolarHBondContact O-N 2.84Å; I147-G151 WeakPolarHBondContact O-CA 3.37Å; I147-G151 PolarHBondContact O-N 2.86Å |
| 148 | Y | 91.1 | Very high | 80.7 | Confident | 70 Ų | 70 | 63.3 Ų | 63.3 | 28% | 0.275 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 177.5 | -165.1 | -89.9 | 0 | 0 | 0 | 111.6 | A30 N73 S144 T145 R152 | A30-Y148 HydrophobicContact CB-CD2 3.9Å; A30-Y148 HydrophobicContact CB-CG 4.32Å; N73-Y148 HydrophobicContact CB-CD1 3.61Å; N73-Y148 HydrophobicContact CB-CE1 3.91Å; N73-Y148 WeakPolarHBondContact OD1-CD1 3.17Å; S144-Y148 VanDerWaalsContact O-CB 3.31Å; S144-Y148 WeakPolarHBondContact O-CB 3.29Å; S144-Y148 PolarHBondContact O-N 2.86Å; T145-Y148 PolarHBondContact O-N 3.04Å; Y148-R152 WeakPolarHBondContact O-CD 3.28Å; Y148-R152 PolarHBondContact OH-NH1 3.36Å |
| 149 | K | 88.8 | Confident | 79.9 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 4% | 0.043 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.4 | -46 | -176.2 | -174.4 | 61.7 | 173.7 | -162.5 | 0 | 113.5 | I72 N73 V75 N77 T145 L146 | I72-K149 HydrophobicContact CG2-CB 4.25Å; I72-K149 HydrophobicContact CG2-CD 4.06Å; I72-K149 HydrophobicContact CG2-CG 3.98Å; I72-K149 PolarHBondContact O-NZ 3.46Å; N73-K149 WeakPolarHBondContact OD1-CB 3.26Å; N73-K149 PolarHBondContact OD1-N 3.24Å; V75-K149 PolarHBondContact O-NZ 2.9Å; N77-K149 VanDerWaalsContact OD1-CE 3.29Å; N77-K149 WeakPolarHBondContact OD1-CE 3.41Å; T145-K149 WeakPolarHBondContact O-CB 3.39Å; T145-K149 PolarHBondContact O-N 3.29Å; L146-K149 PolarHBondContact O-N 2.96Å |
| 150 | F | 86.1 | Confident | 79 | Confident | 138 Ų | 138 | 69.3 Ų | 69.3 | 61% | 0.605 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -102.1 | -22.1 | -173 | -61.9 | -61.7 | 0 | 0 | 0 | 113.7 | F103 L146 R152 | F103-F150 HydrophobicContact CZ-CE2 4.47Å; F103-F150 HydrophobicContact CZ-CZ 4.26Å; L146-F150 HydrophobicContact CB-CD2 4.37Å; L146-F150 HydrophobicContact CD2-CD2 4.09Å; L146-F150 HydrophobicContact CD2-CE2 3.72Å; L146-F150 WeakPolarHBondContact O-CB 3.41Å; L146-F150 WeakPolarHBondContact O-CD2 3.49Å; L146-F150 PolarHBondContact O-N 3.33Å; F150-R152 VanDerWaalsContact C-N 3.33Å |
| 151 | G | 80.8 | Confident | 78 | Confident | 22 Ų | 22 | 71.4 Ų | 71.4 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -75.6 | -23.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R22 I147 | R22-G151 WeakPolarHBondContact CG-O 3.38Å; I147-G151 WeakPolarHBondContact O-CA 3.37Å; I147-G151 PolarHBondContact O-N 2.86Å |
| 152 | R | 81.8 | Confident | 76.9 | Confident | 81 Ų | 81 | 75.6 Ų | 75.6 | 31% | 0.306 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -86.8 | 132.5 | 175.7 | -73.1 | 174.8 | 45.1 | 128.5 | 4.7 | 111.6 | N23 A26 Y148 F150 | N23-R152 VanDerWaalsContact OD1-CA 3.26Å; N23-R152 WeakPolarHBondContact OD1-CA 3.28Å; A26-R152 HydrophobicContact CB-CG 4.26Å; Y148-R152 WeakPolarHBondContact O-CD 3.28Å; Y148-R152 PolarHBondContact OH-NH1 3.36Å; F150-R152 VanDerWaalsContact C-N 3.33Å |
| 153 | T | 69.3 | Low | 75.7 | Confident | 44 Ų | 44 | 78.7 Ų | 78.7 | 27% | 0.27 | 41% | 0.41 | S | S | . | . | trans | -86.4 | 117.2 | 157.7 | 30 | 0 | 0 | 0 | 0 | 110 | R22 N23 E155 | R22-T153 PolarHBondContact NH2-OG1 3.4Å; N23-T153 PolarHBondContact ND2-O 3.14Å; N23-T153 PolarHBondContact OD1-N 3.39Å; N23-T153 PolarHBondContact OD1-O 3.28Å; N23-T153 PolarHBondContact OD1-OG1 2.85Å; T153-E155 VanDerWaalsContact C-N 3.34Å; T153-E155 PolarHBondContact O-N 2.94Å | ||
| 154 | E | 63.8 | Low | 74.3 | Confident | 63 Ų | 63 | 76.7 Ų | 76.7 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | trans | -78.6 | 92.7 | 159.7 | -65.5 | 176.2 | -166.2 | 0 | 0 | 106.5 | S76 N77 A78 L156 | S76-E154 WeakPolarHBondContact CA-OE1 3.16Å; S76-E154 WeakPolarHBondContact CA-OE2 3.41Å; S76-E154 VanDerWaalsContact CB-OE2 3.29Å; S76-E154 WeakPolarHBondContact CB-OE2 3.47Å; N77-E154 WeakPolarHBondContact CA-OE2 3.46Å; N77-E154 WeakPolarHBondContact CB-OE2 3.43Å; N77-E154 PolarHBondContact N-OE1 3.48Å; N77-E154 VanDerWaalsContact N-OE1 3.09Å; N77-E154 PolarHBondContact N-OE2 2.72Å; A78-E154 PolarHBondContact N-OE2 3.04Å; E154-L156 PolarHBondContact O-N 3.17Å | ||
| 155 | E | 52.3 | Low | 72.8 | Confident | 123 Ų | 123 | 82.1 Ų | 82.1 | 58% | 0.575 | 44% | 0.435 | S | S | * | . | trans | -65.6 | 117.5 | 162.3 | -69 | -170.8 | -169 | 0 | 0 | 106.4 | S19 T153 W157 | S19-E155 WeakPolarHBondContact CB-OE1 3.23Å; S19-E155 PolarHBondContact OG-OE1 3Å; T153-E155 VanDerWaalsContact C-N 3.34Å; T153-E155 PolarHBondContact O-N 2.94Å; E155-W157 PolarHBondContact O-N 3.2Å | ||
| 156 | L | 45.8 | Very low | 71.1 | Confident | 100 Ų | 100 | 88.4 Ų | 88.4 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | trans | -57.1 | 112.3 | 164.2 | -83.4 | 91.7 | 0 | 0 | 0 | 105.4 | D83 E154 G158 | D83-L156 HydrophobicContact CB-CD2 4.15Å; E154-L156 PolarHBondContact O-N 3.17Å; L156-G158 VanDerWaalsContact C-N 3.31Å; L156-G158 PolarHBondContact O-N 3.37Å | ||
| 157 | W | 43.3 | Very low | 69.3 | Low | 253 Ų | 253 | 91.8 Ų | 91.8 | 96% | 0.958 | 49% | 0.486 | S | S | * | . | trans | -55.3 | 109.8 | 151.8 | -74.9 | 72.9 | 0 | 0 | 0 | 105.1 | E155 | E155-W157 PolarHBondContact O-N 3.2Š| ||
| 158 | G | 35.6 | Very low | 67.1 | Low | 143 Ų | 143 | 95.2 Ų | 95.2 | 100% | 1.474 | 51% | 0.505 | S | S | * | . | trans | -57.3 | 0 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L156 | L156-G158 VanDerWaalsContact C-N 3.31Å; L156-G158 PolarHBondContact O-N 3.37Å |
Retrieved 158 of 158 residues in 531.4 ms
(Link to these results)