| 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 | 36.2 | Very low | 38.3 | Very low | 233 Ų | 233 | 136.7 Ų | 136.7 | 100% | 1.148 | 83% | 0.828 | S | S | * | * | 0 | 123.3 | 0 | -104.5 | 173.2 | -179.7 | 0 | 0 | 107.7 | |||||
| 2 | T | 36.3 | Very low | 38.2 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | 48.2 | 109.5 | 152.9 | 43.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 3 | V | 34.4 | Very low | 38.2 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | 74.8 | 132.4 | 76.1 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 4 | A | 37.3 | Very low | 38.6 | Very low | 69 Ų | 69 | 128.5 Ų | 128.5 | 57% | 0.57 | 83% | 0.825 | S | S | * | * | cis | -162.9 | 143.1 | 24.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 5 | T | 39.8 | Very low | 38.6 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | 71.7 | 128.8 | 104.5 | 66.4 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 6 | G | 34 | Very low | 38.9 | Very low | 81 Ų | 81 | 131.3 Ų | 131.3 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | 168.3 | 80.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 7 | D | 37.4 | Very low | 38.8 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | -69.8 | 179.8 | 164.6 | -97.2 | -27.9 | 0 | 0 | 0 | 112.1 | ||||
| 8 | P | 53.1 | Low | 39 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 73% | 0.734 | 83% | 0.832 | S | S | * | * | cis | -139.8 | -176.3 | -23.5 | 32.4 | -10.6 | 0 | 0 | 0 | 114.9 | ||||
| 9 | A | 36.6 | Very low | 39.3 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | 75.8 | 115.5 | 150.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 10 | D | 36.9 | Very low | 39.7 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | -171.8 | 119.3 | 109.7 | -98.4 | -14.1 | 0 | 0 | 0 | 113.5 | |||||
| 11 | E | 39.7 | Very low | 39.9 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | 17.3 | 127.4 | 137.7 | -151.1 | 159 | 129.5 | 0 | 0 | 122.8 | ||||
| 12 | A | 36.5 | Very low | 40.3 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 162.1 | 100.6 | 130 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | A | 38.8 | Very low | 41.1 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | 89.4 | 110.4 | 89.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 14 | A | 43.4 | Very low | 41.8 | Very low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -83.6 | 145.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 15 | L | 38.2 | Very low | 42.7 | Very low | 176 Ų | 176 | 130 Ų | 130 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -127.6 | 125.2 | 166.9 | -80.7 | 170.6 | 0 | 0 | 0 | 110.5 | ||||
| 16 | P | 43.6 | Very low | 43.3 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -112.1 | 151.6 | 165.7 | 35.7 | -24.7 | 0 | 0 | 0 | 113 | ||||
| 17 | G | 38 | Very low | 44.1 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | trans | 98.7 | 107.4 | 152 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 18 | H | 41.8 | Very low | 44.6 | Very low | 190 Ų | 190 | 126.6 Ų | 126.6 | 88% | 0.88 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 132.2 | 162.3 | -128 | -60 | 0 | 0 | 0 | 108.6 | ||
| 19 | P | 44.9 | Very low | 44.5 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 138.7 | 176.8 | -10.4 | 26.2 | 0 | 0 | 0 | 111 | D21 | P19-D21 PolarHBondContact O-N 3.39Š|
| 20 | Q | 46.6 | Very low | 45.3 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 119.4 | 161.4 | -79.9 | 178 | -49.2 | 0 | 0 | 108.2 | T22 | Q20-T22 PolarHBondContact O-N 2.86Å; Q20-T22 VanDerWaalsContact O-N 3.16Å |
| 21 | D | 44.3 | Very low | 46.1 | Very low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | trans | -68.4 | 107.4 | 168.3 | -69.5 | -40.8 | 0 | 0 | 0 | 108.9 | P19 Y23 | P19-D21 PolarHBondContact O-N 3.39Å; D21-Y23 PolarHBondContact O-N 2.77Å; D21-Y23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | T | 45.7 | Very low | 47.5 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 83% | 0.828 | 71% | 0.707 | S | S | * | * | trans | -69.7 | 100.1 | 167.9 | -40.7 | 0 | 0 | 0 | 0 | 107.5 | Q20 D24 | Q20-T22 PolarHBondContact O-N 2.86Å; Q20-T22 VanDerWaalsContact O-N 3.16Å; T22-D24 PolarHBondContact O-N 3.35Å | ||
| 23 | Y | 51.6 | Low | 50 | Low | 179 Ų | 179 | 122.4 Ų | 122.4 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | trans | -68.4 | 112.9 | 168.1 | -170.6 | -100.4 | 0 | 0 | 0 | 107.7 | D21 P25 | D21-Y23 PolarHBondContact O-N 2.77Å; D21-Y23 VanDerWaalsContact O-N 3.13Å; Y23-P25 HydrophobicContact CD1-CB 4.38Å; Y23-P25 HydrophobicContact CE1-CB 4.26Å; Y23-P25 WeakPolarHBondContact O-CD 3.29Å | ||
| 24 | D | 49.9 | Very low | 52.6 | Low | 98 Ų | 98 | 124.8 Ų | 124.8 | 52% | 0.524 | 68% | 0.683 | S | S | . | * | trans | -89.8 | 102.9 | 173.2 | -172.6 | -8.6 | 0 | 0 | 0 | 108.8 | T22 E26 | T22-D24 PolarHBondContact O-N 3.35Å; D24-E26 PolarHBondContact O-N 2.9Å; D24-E26 PolarHBondContact OD1-N 3.32Å | ||
| 25 | P | 55.2 | Low | 55.1 | Low | 69 Ų | 69 | 120.5 Ų | 120.5 | 45% | 0.448 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -73.9 | -5.1 | -176.8 | 30.2 | -34.5 | 0 | 0 | 0 | 114 | Y23 H29 | Y23-P25 HydrophobicContact CD1-CB 4.38Å; Y23-P25 HydrophobicContact CE1-CB 4.26Å; Y23-P25 WeakPolarHBondContact O-CD 3.29Å; P25-H29 PolarHBondContact O-ND1 3.18Å |
| 26 | E | 53 | Low | 58 | Low | 154 Ų | 154 | 113.7 Ų | 113.7 | 72% | 0.72 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -83.4 | -31.5 | -172.6 | -64.5 | -172.1 | 163.8 | 0 | 0 | 113.2 | D24 D28 | D24-E26 PolarHBondContact O-N 2.9Å; D24-E26 PolarHBondContact OD1-N 3.32Å; E26-D28 PolarHBondContact O-N 2.74Å |
| 27 | A | 51.3 | Low | 60.6 | Low | 64 Ų | 64 | 107.8 Ų | 107.8 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -28.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 28 | D | 47.8 | Very low | 63.5 | Low | 99 Ų | 99 | 104.1 Ų | 104.1 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.5 | -178.6 | -80.3 | -18.1 | 0 | 0 | 0 | 113.3 | E26 | E26-D28 PolarHBondContact O-N 2.74Š|
| 29 | H | 51.4 | Low | 66.2 | Low | 147 Ų | 147 | 95 Ų | 95 | 68% | 0.681 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -30.6 | -176.1 | -87.8 | 78.2 | 0 | 0 | 0 | 114.1 | P25 C31 C32 | P25-H29 PolarHBondContact O-ND1 3.18Å; H29-C31 PolarHBondContact O-N 2.99Å; H29-C32 PolarHBondContact O-N 2.84Å |
| 30 | E | 53.6 | Low | 68.7 | Low | 159 Ų | 159 | 91.8 Ų | 91.8 | 74% | 0.743 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -67.5 | -26.4 | 175.6 | -77 | -172.6 | 150.1 | 0 | 0 | 112.2 | C32 | E30-C32 PolarHBondContact O-N 3.49Å; E30-C32 VanDerWaalsContact O-N 3.13Å |
| 31 | C | 52.8 | Low | 71.1 | Confident | 60 Ų | 60 | 85 Ų | 85 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -65.9 | -15.7 | -178.7 | -59.8 | 0 | 0 | 0 | 0 | 114.4 | H29 K49 | H29-C31 PolarHBondContact O-N 2.99Å; C31-K49 WeakPolarHBondContact O-CD 3.49Å; C31-K49 VanDerWaalsContact O-CE 3.29Å; C31-K49 WeakPolarHBondContact O-CE 3.41Å; C31-K49 PolarHBondContact O-NZ 2.89Å |
| 32 | C | 69.9 | Low | 73.6 | Confident | 74 Ų | 74 | 80.3 Ų | 80.3 | 50% | 0.5 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -128.4 | 7 | -167.7 | -65.9 | 0 | 0 | 0 | 0 | 114.2 | H29 E30 R34 | H29-C32 PolarHBondContact O-N 2.84Å; E30-C32 PolarHBondContact O-N 3.49Å; E30-C32 VanDerWaalsContact O-N 3.13Å; C32-R34 PolarHBondContact O-N 2.84Å |
| 33 | E | 88.6 | Confident | 76.1 | Confident | 113 Ų | 113 | 80.4 Ų | 80.4 | 53% | 0.528 | 41% | 0.413 | S | S | . | . | trans | -59.1 | 124.1 | 178.9 | -168.7 | -180 | 178.2 | 0 | 0 | 110.3 | Q47 L48 | E33-Q47 CarbonylContact O-C 3.58Å; E33-Q47 WeakPolarHBondContact O-CA 3.39Å; E33-L48 HydrophobicContact CB-CB 4.26Å; E33-L48 PolarHBondContact O-N 3.16Å; E33-L48 WeakPolarHBondContact OE2-CD2 3.39Å | ||
| 34 | R | 93.9 | Very high | 78.3 | Confident | 153 Ų | 153 | 73 Ų | 73 | 58% | 0.577 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 135.2 | -177.6 | -58.8 | -178.2 | 78 | -141.1 | 0.7 | 109.6 | C32 E45 T46 | C32-R34 PolarHBondContact O-N 2.84Å; R34-E45 IonicContact CZ-OE2 3.33Å; R34-E45 IonicContact NH1-OE2 3.74Å; R34-E45 PolarHBondContact NH1-OE2 2.78Å; R34-E45 IonicContact NH2-OE2 3.87Å; R34-E45 PolarHBondContact NH2-OE2 3.23Å; R34-T46 CarbonylContact C-O 3.57Å; R34-T46 VanDerWaalsContact CA-O 3.28Å; R34-T46 WeakPolarHBondContact CA-O 3.41Å |
| 35 | V | 96 | Very high | 80.6 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 6% | 0.061 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.7 | 177.3 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | I37 E45 T46 L48 L51 Y76 | V35-I37 HydrophobicContact CG1-CG1 4.13Å; V35-E45 WeakPolarHBondContact O-CA 3.43Å; V35-T46 PolarHBondContact N-O 2.74Å; V35-T46 PolarHBondContact O-N 2.86Å; V35-L48 HydrophobicContact CG2-CB 4Å; V35-L48 HydrophobicContact CG2-CD1 3.89Å; V35-L51 HydrophobicContact CB-CD1 4.39Å; V35-L51 HydrophobicContact CG1-CD1 4.22Å; V35-L51 HydrophobicContact CG2-CD1 4.48Å; V35-Y76 HydrophobicContact CG1-CD2 3.54Å; V35-Y76 HydrophobicContact CG1-CE2 3.54Å |
| 36 | V | 98.3 | Very high | 82.6 | Confident | 32 Ų | 32 | 70 Ų | 70 | 19% | 0.194 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.9 | 174 | -173.5 | 0 | 0 | 0 | 0 | 109 | F44 E45 E75 Y76 | V36-F44 WeakPolarHBondContact CA-O 3.45Å; V36-E45 HydrophobicContact CG1-CG 4.48Å; V36-E45 HydrophobicContact CG2-CG 4.21Å; V36-E75 HydrophobicContact CB-CB 3.85Å; V36-E75 HydrophobicContact CG1-CB 3.75Å; V36-E75 WeakPolarHBondContact O-CA 3.44Å; V36-Y76 PolarHBondContact O-N 3.22Å |
| 37 | I | 98.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.4 | 177.4 | -52.4 | 172.7 | 0 | 0 | 0 | 108.1 | V35 I39 F44 L51 L59 Y76 F78 F85 | V35-I37 HydrophobicContact CG1-CG1 4.13Å; I37-I39 HydrophobicContact CG2-CD1 3.65Å; I37-I39 HydrophobicContact CG2-CG1 4.39Å; I37-F44 HydrophobicContact CB-CB 4.43Å; I37-F44 PolarHBondContact N-O 2.6Å; I37-F44 PolarHBondContact O-N 2.77Å; I37-L51 HydrophobicContact CD1-CD1 4.34Å; I37-L59 HydrophobicContact CD1-CD1 4.16Å; I37-L59 HydrophobicContact CD1-CD2 4.29Å; I37-Y76 CarbonylContact C-O 3.57Å; I37-Y76 WeakPolarHBondContact CA-O 3.49Å; I37-F78 HydrophobicContact CG2-CD2 3.77Å; I37-F78 HydrophobicContact CG2-CE2 3.8Å; I37-F85 HydrophobicContact CB-CE1 4.26Å; I37-F85 HydrophobicContact CB-CZ 4.19Å; I37-F85 HydrophobicContact CD1-CE1 4.33Å; I37-F85 HydrophobicContact CD1-CZ 3.82Å; I37-F85 HydrophobicContact CG2-CE1 3.99Å; I37-F85 HydrophobicContact CG2-CE2 4.32Å; I37-F85 HydrophobicContact CG2-CZ 3.61Å |
| 38 | N | 98.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.011 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.7 | -179.1 | -178.5 | -5.6 | 0 | 0 | 0 | 110.3 | G41 L42 R43 R73 E75 Y76 F77 F78 | N38-G41 VanDerWaalsContact OD1-C 3.26Å; N38-G41 WeakPolarHBondContact OD1-CA 3.43Å; N38-G41 PolarHBondContact OD1-N 3.43Å; N38-L42 CarbonylContact C-O 3.55Å; N38-L42 WeakPolarHBondContact CA-O 3.24Å; N38-L42 PolarHBondContact OD1-N 2.9Å; N38-R43 HydrophobicContact CB-CG 4.38Å; N38-R73 PolarHBondContact ND2-NH2 3.28Å; N38-E75 HydrophobicContact CB-CG 4.2Å; N38-E75 PolarHBondContact ND2-OE1 2.8Å; N38-Y76 PolarHBondContact N-O 3.08Å; N38-F77 HydrophobicContact CB-CD2 4.09Å; N38-F77 WeakPolarHBondContact O-CA 3.43Å; N38-F78 PolarHBondContact O-N 3.1Å |
| 39 | I | 98.6 | Very high | 89 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 100.9 | 178.7 | -48.4 | -57.8 | 0 | 0 | 0 | 108.9 | I37 G41 L42 F44 F78 R82 F85 Y116 | I37-I39 HydrophobicContact CG2-CD1 3.65Å; I37-I39 HydrophobicContact CG2-CG1 4.39Å; I39-G41 PolarHBondContact O-N 2.84Å; I39-L42 PolarHBondContact N-O 2.99Å; I39-L42 WeakPolarHBondContact O-CB 3.48Å; I39-L42 PolarHBondContact O-N 3.11Å; I39-F44 HydrophobicContact CB-CE2 4.2Å; I39-F44 HydrophobicContact CG1-CD2 3.83Å; I39-F44 HydrophobicContact CG1-CE2 3.8Å; I39-F78 CarbonylContact C-O 3.53Å; I39-F78 WeakPolarHBondContact CA-O 3.32Å; I39-F78 HydrophobicContact CD1-CB 3.77Å; I39-F78 HydrophobicContact CD1-CD2 3.78Å; I39-F78 HydrophobicContact CD1-CG 4.09Å; I39-R82 HydrophobicContact CG2-CB 4.5Å; I39-R82 HydrophobicContact CG2-CG 4.23Å; I39-R82 WeakPolarHBondContact O-CG 3.25Å; I39-F85 HydrophobicContact CD1-CB 4.49Å; I39-F85 HydrophobicContact CD1-CD1 4.1Å; I39-F85 HydrophobicContact CD1-CD2 3.62Å; I39-F85 HydrophobicContact CD1-CE1 4.2Å; I39-F85 HydrophobicContact CD1-CE2 3.75Å; I39-F85 HydrophobicContact CD1-CG 3.8Å; I39-F85 HydrophobicContact CD1-CZ 4.05Å; I39-F85 HydrophobicContact CG1-CB 3.84Å; I39-F85 HydrophobicContact CG1-CD1 3.6Å; I39-F85 HydrophobicContact CG1-CD2 3.86Å; I39-F85 HydrophobicContact CG1-CE1 4.07Å; I39-F85 HydrophobicContact CG1-CE2 4.32Å; I39-F85 HydrophobicContact CG1-CG 3.47Å; I39-F85 VanDerWaalsContact CG1-CG 3.47Å; I39-F85 HydrophobicContact CG1-CZ 4.42Å; I39-F85 HydrophobicContact CG2-CB 4.37Å; I39-Y116 WeakPolarHBondContact CD1-OH 3.01Å |
| 40 | S | 97.5 | Very high | 91.1 | Very high | 35 Ų | 35 | 59.7 Ų | 59.7 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | 40.6 | -177.6 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | F78 D79 R80 R82 | S40-F78 PolarHBondContact N-O 2.82Å; S40-D79 WeakPolarHBondContact OG-CA 3.41Å; S40-D79 PolarHBondContact OG-OD1 2.75Å; S40-R80 PolarHBondContact OG-N 2.86Å; S40-R80 PolarHBondContact OG-O 3.37Å; S40-R82 PolarHBondContact O-NH1 2.92Å |
| 41 | G | 95.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 45% | 0.454 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -11.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | N38 I39 | N38-G41 VanDerWaalsContact OD1-C 3.26Å; N38-G41 WeakPolarHBondContact OD1-CA 3.43Å; N38-G41 PolarHBondContact OD1-N 3.43Å; I39-G41 PolarHBondContact O-N 2.84Å |
| 42 | L | 97.6 | Very high | 95.3 | Very high | 58 Ų | 58 | 51.9 Ų | 51.9 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.7 | 172.4 | -170 | 53 | 0 | 0 | 0 | 109.5 | N38 I39 F44 R82 | N38-L42 CarbonylContact C-O 3.55Å; N38-L42 WeakPolarHBondContact CA-O 3.24Å; N38-L42 PolarHBondContact OD1-N 2.9Å; I39-L42 PolarHBondContact N-O 2.99Å; I39-L42 WeakPolarHBondContact O-CB 3.48Å; I39-L42 PolarHBondContact O-N 3.11Å; L42-F44 HydrophobicContact CB-CE2 3.95Å; L42-F44 HydrophobicContact CD2-CE2 3.54Å; L42-F44 HydrophobicContact CD2-CZ 3.44Å; L42-F44 VanDerWaalsContact CD2-CZ 3.44Å; L42-F44 HydrophobicContact CG-CD2 4.24Å; L42-F44 HydrophobicContact CG-CE2 3.49Å; L42-F44 VanDerWaalsContact CG-CE2 3.49Å; L42-F44 HydrophobicContact CG-CZ 3.81Å; L42-R82 HydrophobicContact CD2-CB 4.36Å |
| 43 | R | 97.9 | Very high | 96.5 | Very high | 137 Ų | 137 | 53.4 Ų | 53.4 | 52% | 0.517 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.1 | 179.3 | -69 | -170.9 | 176.8 | 106.8 | -13.6 | 111.6 | N38 E75 | N38-R43 HydrophobicContact CB-CG 4.38Å; R43-E75 IonicContact CZ-OE2 3.66Å; R43-E75 IonicContact NE-OE2 2.86Å; R43-E75 PolarHBondContact NE-OE2 2.81Å; R43-E75 IonicContact NH2-OE2 3.57Å |
| 44 | F | 98.2 | Very high | 97 | Very high | 23 Ų | 23 | 50 Ų | 50 | 10% | 0.101 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146.5 | 171.2 | -65.7 | -92.5 | 0 | 0 | 0 | 108.8 | V36 I37 I39 L42 F85 D86 L89 | V36-F44 WeakPolarHBondContact CA-O 3.45Å; I37-F44 HydrophobicContact CB-CB 4.43Å; I37-F44 PolarHBondContact N-O 2.6Å; I37-F44 PolarHBondContact O-N 2.77Å; I39-F44 HydrophobicContact CB-CE2 4.2Å; I39-F44 HydrophobicContact CG1-CD2 3.83Å; I39-F44 HydrophobicContact CG1-CE2 3.8Å; L42-F44 HydrophobicContact CB-CE2 3.95Å; L42-F44 HydrophobicContact CD2-CE2 3.54Å; L42-F44 HydrophobicContact CD2-CZ 3.44Å; L42-F44 VanDerWaalsContact CD2-CZ 3.44Å; L42-F44 HydrophobicContact CG-CD2 4.24Å; L42-F44 HydrophobicContact CG-CE2 3.49Å; L42-F44 VanDerWaalsContact CG-CE2 3.49Å; L42-F44 HydrophobicContact CG-CZ 3.81Å; F44-F85 HydrophobicContact CB-CD1 4.29Å; F44-F85 HydrophobicContact CB-CE1 3.9Å; F44-F85 AromaticContact CD1-CD1 3.9Å; F44-F85 HydrophobicContact CD1-CD1 3.9Å; F44-F85 HydrophobicContact CD1-CE1 4.26Å; F44-F85 AromaticContact CD2-CD1 3.39Å; F44-F85 HydrophobicContact CD2-CD1 3.39Å; F44-F85 AromaticContact CD2-CE1 3.8Å; F44-F85 HydrophobicContact CD2-CE1 3.8Å; F44-F85 HydrophobicContact CD2-CG 4.42Å; F44-F85 HydrophobicContact CE1-CD1 4Å; F44-F85 HydrophobicContact CE2-CB 4.12Å; F44-F85 AromaticContact CE2-CD1 3.5Å; F44-F85 HydrophobicContact CE2-CD1 3.5Å; F44-F85 VanDerWaalsContact CE2-CD1 3.5Å; F44-F85 HydrophobicContact CE2-CE1 4.36Å; F44-F85 HydrophobicContact CE2-CG 4.2Å; F44-F85 AromaticContact CG-CD1 3.58Å; F44-F85 HydrophobicContact CG-CD1 3.58Å; F44-F85 AromaticContact CG-CE1 3.72Å; F44-F85 HydrophobicContact CG-CE1 3.72Å; F44-F85 HydrophobicContact CZ-CB 4.16Å; F44-F85 AromaticContact CZ-CD1 3.81Å; F44-F85 HydrophobicContact CZ-CD1 3.81Å; F44-F85 HydrophobicContact CZ-CG 4.47Å; F44-D86 WeakPolarHBondContact CE1-OD1 3.34Å; F44-L89 HydrophobicContact CB-CD2 3.99Å; F44-L89 HydrophobicContact CD1-CD2 3.82Å; F44-L89 HydrophobicContact CG-CD2 4.28Å |
| 45 | E | 97.4 | Very high | 97.1 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.8 | 178.1 | -61.7 | -177.4 | -169.3 | 0 | 0 | 108.7 | R34 V35 V36 | R34-E45 IonicContact CZ-OE2 3.33Å; R34-E45 IonicContact NH1-OE2 3.74Å; R34-E45 PolarHBondContact NH1-OE2 2.78Å; R34-E45 IonicContact NH2-OE2 3.87Å; R34-E45 PolarHBondContact NH2-OE2 3.23Å; V35-E45 WeakPolarHBondContact O-CA 3.43Å; V36-E45 HydrophobicContact CG1-CG 4.48Å; V36-E45 HydrophobicContact CG2-CG 4.21Å |
| 46 | T | 96.9 | Very high | 97.2 | Very high | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 178.9 | 177 | -165.9 | 0 | 0 | 0 | 0 | 110.3 | R34 V35 L51 L89 | R34-T46 CarbonylContact C-O 3.57Å; R34-T46 VanDerWaalsContact CA-O 3.28Å; R34-T46 WeakPolarHBondContact CA-O 3.41Å; V35-T46 PolarHBondContact N-O 2.74Å; V35-T46 PolarHBondContact O-N 2.86Å; T46-L51 HydrophobicContact CG2-CD1 4.19Å; T46-L51 HydrophobicContact CG2-CD2 4.04Å; T46-L51 HydrophobicContact CG2-CG 3.95Å; T46-L89 HydrophobicContact CG2-CD1 3.99Å |
| 47 | Q | 96.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 146.1 | 174.3 | -66.3 | 172.1 | -24.5 | 0 | 0 | 110.2 | E33 K49 T50 | E33-Q47 CarbonylContact O-C 3.58Å; E33-Q47 WeakPolarHBondContact O-CA 3.39Å; Q47-K49 HydrophobicContact CB-CG 3.99Å; Q47-K49 PolarHBondContact O-N 2.9Å; Q47-T50 VanDerWaalsContact O-CB 3.26Å; Q47-T50 WeakPolarHBondContact O-CB 3.41Å; Q47-T50 PolarHBondContact O-N 2.83Å |
| 48 | L | 95.1 | Very high | 97.2 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.2 | -39.4 | 178.4 | -177.1 | 62.3 | 0 | 0 | 0 | 111.6 | E33 V35 T50 L51 A52 | E33-L48 HydrophobicContact CB-CB 4.26Å; E33-L48 PolarHBondContact O-N 3.16Å; E33-L48 WeakPolarHBondContact OE2-CD2 3.39Å; V35-L48 HydrophobicContact CG2-CB 4Å; V35-L48 HydrophobicContact CG2-CD1 3.89Å; L48-T50 VanDerWaalsContact C-N 3.25Å; L48-T50 PolarHBondContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.13Å; L48-L51 VanDerWaalsContact O-N 3.14Å; L48-A52 PolarHBondContact O-N 3.14Å |
| 49 | K | 95.3 | Very high | 97.2 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -30.5 | 175.5 | 68.9 | -178 | 173.2 | -159.8 | 0 | 114.1 | C31 Q47 L51 A52 Q53 | C31-K49 WeakPolarHBondContact O-CD 3.49Å; C31-K49 VanDerWaalsContact O-CE 3.29Å; C31-K49 WeakPolarHBondContact O-CE 3.41Å; C31-K49 PolarHBondContact O-NZ 2.89Å; Q47-K49 HydrophobicContact CB-CG 3.99Å; Q47-K49 PolarHBondContact O-N 2.9Å; K49-L51 VanDerWaalsContact C-N 3.34Å; K49-A52 PolarHBondContact O-N 3.16Å; K49-Q53 PolarHBondContact O-N 3.15Å |
| 50 | T | 96.7 | Very high | 97.1 | Very high | 21 Ų | 21 | 52 Ų | 52 | 13% | 0.129 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | Q47 L48 Q53 Q93 | Q47-T50 VanDerWaalsContact O-CB 3.26Å; Q47-T50 WeakPolarHBondContact O-CB 3.41Å; Q47-T50 PolarHBondContact O-N 2.83Å; L48-T50 VanDerWaalsContact C-N 3.25Å; L48-T50 PolarHBondContact O-N 3.09Å; T50-Q53 WeakPolarHBondContact O-CB 3.25Å; T50-Q93 HydrophobicContact CG2-CG 3.98Å |
| 51 | L | 97.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72 | -38.7 | 175.4 | -58.9 | -178.8 | 0 | 0 | 0 | 111.7 | V35 I37 T46 L48 K49 Q53 F54 L59 G60 Y92 | V35-L51 HydrophobicContact CB-CD1 4.39Å; V35-L51 HydrophobicContact CG1-CD1 4.22Å; V35-L51 HydrophobicContact CG2-CD1 4.48Å; I37-L51 HydrophobicContact CD1-CD1 4.34Å; T46-L51 HydrophobicContact CG2-CD1 4.19Å; T46-L51 HydrophobicContact CG2-CD2 4.04Å; T46-L51 HydrophobicContact CG2-CG 3.95Å; L48-L51 PolarHBondContact O-N 3.13Å; L48-L51 VanDerWaalsContact O-N 3.14Å; K49-L51 VanDerWaalsContact C-N 3.34Å; L51-Q53 PolarHBondContact O-N 3.42Å; L51-Q53 VanDerWaalsContact O-N 3.11Å; L51-F54 PolarHBondContact O-N 3.16Å; L51-F54 VanDerWaalsContact O-N 3.17Å; L51-L59 HydrophobicContact CD1-CB 4.38Å; L51-L59 HydrophobicContact CD2-CB 3.99Å; L51-L59 HydrophobicContact CD2-CD1 4.38Å; L51-G60 VanDerWaalsContact O-CA 3.3Å; L51-G60 WeakPolarHBondContact O-CA 3.47Å; L51-Y92 HydrophobicContact CD2-CD1 4.04Å; L51-Y92 HydrophobicContact CD2-CD2 4.34Å; L51-Y92 HydrophobicContact CD2-CE1 4.27Å; L51-Y92 HydrophobicContact CD2-CG 4.09Å |
| 52 | A | 96.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -13.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L48 K49 F54 P55 | L48-A52 PolarHBondContact O-N 3.14Å; K49-A52 PolarHBondContact O-N 3.16Å; A52-F54 PolarHBondContact O-N 2.98Å; A52-P55 WeakPolarHBondContact O-CD 3.32Å; A52-P55 WeakPolarHBondContact O-CG 3.27Å |
| 53 | Q | 96.2 | Very high | 97.2 | Very high | 106 Ų | 106 | 59.1 Ų | 59.1 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.8 | 173.4 | -173.4 | 169.6 | -0.8 | 0 | 0 | 112.9 | K49 T50 L51 Y92 G95 | K49-Q53 PolarHBondContact O-N 3.15Å; T50-Q53 WeakPolarHBondContact O-CB 3.25Å; L51-Q53 PolarHBondContact O-N 3.42Å; L51-Q53 VanDerWaalsContact O-N 3.11Å; Q53-Y92 PolarHBondContact OE1-O 3.13Å; Q53-G95 VanDerWaalsContact NE2-CA 3.3Å |
| 54 | F | 97.9 | Very high | 97.2 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 18% | 0.18 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -127.3 | 75.3 | 178.2 | -60.7 | -83.6 | 0 | 0 | 0 | 111.1 | L51 A52 E56 T57 G60 Y91 Y92 | L51-F54 PolarHBondContact O-N 3.16Å; L51-F54 VanDerWaalsContact O-N 3.17Å; A52-F54 PolarHBondContact O-N 2.98Å; F54-E56 PolarHBondContact O-N 3.47Å; F54-E56 VanDerWaalsContact O-N 3.16Å; F54-T57 HydrophobicContact CB-CG2 3.62Å; F54-T57 PolarHBondContact O-N 3.39Å; F54-T57 VanDerWaalsContact O-N 3.15Å; F54-T57 PolarHBondContact O-OG1 3.2Å; F54-G60 WeakPolarHBondContact O-CA 3.35Å; F54-Y91 HydrophobicContact CD1-CE1 4Å; F54-Y91 HydrophobicContact CD2-CD1 4.38Å; F54-Y91 AromaticContact CD2-CE1 3.88Å; F54-Y91 HydrophobicContact CD2-CE1 3.88Å; F54-Y91 HydrophobicContact CE1-CE1 4.01Å; F54-Y91 AromaticContact CE1-CZ 3.84Å; F54-Y91 WeakPolarHBondContact CE1-OH 3.44Å; F54-Y91 HydrophobicContact CE2-CD1 4.29Å; F54-Y91 AromaticContact CE2-CE1 3.89Å; F54-Y91 HydrophobicContact CE2-CE1 3.89Å; F54-Y91 AromaticContact CG-CE1 3.94Å; F54-Y91 HydrophobicContact CG-CE1 3.94Å; F54-Y91 AromaticContact CZ-CE1 3.95Å; F54-Y91 HydrophobicContact CZ-CE1 3.95Å; F54-Y91 AromaticContact CZ-CZ 3.95Å; F54-Y92 HydrophobicContact CB-CD1 4.29Å; F54-Y92 HydrophobicContact CB-CE1 3.91Å; F54-Y92 AromaticContact CD2-CD1 3.65Å; F54-Y92 HydrophobicContact CD2-CD1 3.65Å; F54-Y92 HydrophobicContact CD2-CE1 4.1Å; F54-Y92 HydrophobicContact CD2-CG 4.34Å; F54-Y92 HydrophobicContact CG-CD1 4.42Å; F54-Y92 HydrophobicContact CG-CE1 4.44Å |
| 55 | P | 97.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 49% | 0.494 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.9 | -170.9 | -23.6 | 33.4 | 0 | 0 | 0 | 114.8 | A52 T57 D61 | A52-P55 WeakPolarHBondContact O-CD 3.32Å; A52-P55 WeakPolarHBondContact O-CG 3.27Å; P55-T57 VanDerWaalsContact C-N 3.27Å; P55-T57 PolarHBondContact O-N 2.9Å; P55-D61 WeakPolarHBondContact O-CA 3.5Å; P55-D61 WeakPolarHBondContact O-CB 3.44Å; P55-D61 PolarHBondContact O-N 3Å |
| 56 | E | 97.3 | Very high | 97.1 | Very high | 151 Ų | 151 | 56.3 Ų | 56.3 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.2 | -177.6 | -61.5 | -54.9 | 136.5 | 0 | 0 | 113.4 | F54 K64 | F54-E56 PolarHBondContact O-N 3.47Å; F54-E56 VanDerWaalsContact O-N 3.16Å; E56-K64 PolarHBondContact O-NZ 2.91Å |
| 57 | T | 98.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -80.1 | 162.7 | -178.2 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | F54 P55 L59 G60 D61 Y92 E117 L118 | F54-T57 HydrophobicContact CB-CG2 3.62Å; F54-T57 PolarHBondContact O-N 3.39Å; F54-T57 VanDerWaalsContact O-N 3.15Å; F54-T57 PolarHBondContact O-OG1 3.2Å; P55-T57 VanDerWaalsContact C-N 3.27Å; P55-T57 PolarHBondContact O-N 2.9Å; T57-L59 VanDerWaalsContact C-N 3.3Å; T57-L59 PolarHBondContact O-N 2.83Å; T57-G60 PolarHBondContact O-N 2.69Å; T57-G60 PolarHBondContact OG1-N 3.25Å; T57-G60 VanDerWaalsContact OG1-N 3.1Å; T57-D61 WeakPolarHBondContact O-CB 3.32Å; T57-D61 PolarHBondContact O-N 3.05Å; T57-Y92 WeakPolarHBondContact CB-OH 3.3Å; T57-Y92 WeakPolarHBondContact OG1-CE1 3.43Å; T57-Y92 PolarHBondContact OG1-OH 3.39Å; T57-E117 WeakPolarHBondContact CA-O 3.25Å; T57-E117 WeakPolarHBondContact CG2-O 2.89Å; T57-L118 HydrophobicContact CG2-CD2 4.21Å |
| 58 | L | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -45.4 | -179.8 | -176.3 | 155.5 | 0 | 0 | 0 | 111.8 | K64 R65 Y68 F78 F115 Y116 E117 | L58-K64 HydrophobicContact CG-CB 4.48Å; L58-R65 WeakPolarHBondContact O-CB 3.11Å; L58-R65 PolarHBondContact O-N 3.26Å; L58-Y68 HydrophobicContact CD1-CE2 3.94Å; L58-Y68 HydrophobicContact CD2-CD2 4.25Å; L58-Y68 HydrophobicContact CD2-CE2 4.14Å; L58-Y68 HydrophobicContact CG-CE2 4.37Å; L58-F78 HydrophobicContact CD2-CE1 3.64Å; L58-F78 HydrophobicContact CD2-CZ 3.63Å; L58-F115 HydrophobicContact CD1-CE1 4.02Å; L58-F115 HydrophobicContact CD1-CZ 4.03Å; L58-F115 WeakPolarHBondContact CD1-O 3.45Å; L58-Y116 WeakPolarHBondContact CB-O 3.34Å; L58-Y116 HydrophobicContact CD2-CD1 4.5Å; L58-Y116 PolarHBondContact N-O 3.06Å; L58-E117 HydrophobicContact CB-CB 4.43Å; L58-E117 HydrophobicContact CB-CG 4.43Å |
| 59 | L | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -26.9 | -178.7 | -61.9 | 174.9 | 0 | 0 | 0 | 112.7 | I37 L51 T57 R65 F78 F85 Y92 Y116 | I37-L59 HydrophobicContact CD1-CD1 4.16Å; I37-L59 HydrophobicContact CD1-CD2 4.29Å; L51-L59 HydrophobicContact CD1-CB 4.38Å; L51-L59 HydrophobicContact CD2-CB 3.99Å; L51-L59 HydrophobicContact CD2-CD1 4.38Å; T57-L59 VanDerWaalsContact C-N 3.3Å; T57-L59 PolarHBondContact O-N 2.83Å; L59-R65 WeakPolarHBondContact O-CD 3.31Å; L59-R65 PolarHBondContact O-NH1 3.04Å; L59-F78 HydrophobicContact CD2-CE2 3.8Å; L59-F78 HydrophobicContact CD2-CZ 3.62Å; L59-F85 HydrophobicContact CD1-CE2 3.93Å; L59-F85 HydrophobicContact CD1-CZ 3.94Å; L59-Y92 HydrophobicContact CD1-CE2 4.1Å; L59-Y116 HydrophobicContact CD1-CD1 4.01Å; L59-Y116 HydrophobicContact CD1-CE1 4.24Å; L59-Y116 HydrophobicContact CD2-CD1 4.46Å; L59-Y116 HydrophobicContact CD2-CE1 4.41Å; L59-Y116 HydrophobicContact CG-CD1 4.01Å; L59-Y116 HydrophobicContact CG-CE1 4.37Å |
| 60 | G | 97.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L51 F54 T57 P62 R65 | L51-G60 VanDerWaalsContact O-CA 3.3Å; L51-G60 WeakPolarHBondContact O-CA 3.47Å; F54-G60 WeakPolarHBondContact O-CA 3.35Å; T57-G60 PolarHBondContact O-N 2.69Å; T57-G60 PolarHBondContact OG1-N 3.25Å; T57-G60 VanDerWaalsContact OG1-N 3.1Å; G60-P62 WeakPolarHBondContact O-CD 3.4Å; G60-R65 VanDerWaalsContact C-NH1 3.28Å; G60-R65 PolarHBondContact O-NH1 3.19Å |
| 61 | D | 97.9 | Very high | 97.4 | Very high | 36 Ų | 36 | 67.6 Ų | 67.6 | 19% | 0.193 | 34% | 0.335 | C | S | . | . | trans | -80.7 | 116.1 | 180 | -172.4 | -24 | 0 | 0 | 0 | 111.4 | P55 T57 K63 K64 R65 | P55-D61 WeakPolarHBondContact O-CA 3.5Å; P55-D61 WeakPolarHBondContact O-CB 3.44Å; P55-D61 PolarHBondContact O-N 3Å; T57-D61 WeakPolarHBondContact O-CB 3.32Å; T57-D61 PolarHBondContact O-N 3.05Å; D61-K63 PolarHBondContact O-N 3.15Å; D61-K63 WeakPolarHBondContact OD1-CA 3.41Å; D61-K63 VanDerWaalsContact OD1-CB 3.31Å; D61-K63 WeakPolarHBondContact OD1-CB 3.47Å; D61-K63 PolarHBondContact OD1-N 3.45Å; D61-K64 HydrophobicContact CB-CB 3.95Å; D61-K64 HydrophobicContact CB-CD 3.75Å; D61-K64 HydrophobicContact CB-CG 3.75Å; D61-K64 PolarHBondContact O-N 3.28Å; D61-K64 WeakPolarHBondContact OD2-CE 3.47Å; D61-K64 WeakPolarHBondContact OD2-CG 3.46Å; D61-R65 VanDerWaalsContact C-NH1 3.34Å; D61-R65 WeakPolarHBondContact O-CG 3.23Å; D61-R65 PolarHBondContact O-N 2.81Å; D61-R65 VanDerWaalsContact O-N 3.1Å | ||
| 62 | P | 96.6 | Very high | 97.4 | Very high | 71 Ų | 71 | 75.4 Ų | 75.4 | 46% | 0.461 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.2 | -36.6 | 176.4 | -21.7 | 31.7 | 0 | 0 | 0 | 113.7 | G60 R65 M66 | G60-P62 WeakPolarHBondContact O-CD 3.4Å; P62-R65 VanDerWaalsContact CA-CZ 3.49Å; P62-M66 WeakPolarHBondContact O-CB 3.36Å; P62-M66 PolarHBondContact O-N 2.84Å; P62-M66 VanDerWaalsContact O-N 3.13Å |
| 63 | K | 97.3 | Very high | 97.3 | Very high | 179 Ų | 179 | 78.9 Ų | 78.9 | 78% | 0.778 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.9 | -41 | -178.2 | -62.9 | 177.6 | -179.3 | 172.8 | 0 | 111.3 | D61 | D61-K63 PolarHBondContact O-N 3.15Å; D61-K63 WeakPolarHBondContact OD1-CA 3.41Å; D61-K63 VanDerWaalsContact OD1-CB 3.31Å; D61-K63 WeakPolarHBondContact OD1-CB 3.47Å; D61-K63 PolarHBondContact OD1-N 3.45Å |
| 64 | K | 97.9 | Very high | 97.3 | Very high | 65 Ų | 65 | 79.1 Ų | 79.1 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.3 | -48.2 | 179.3 | -64.3 | 179.5 | -172.2 | -173.8 | 0 | 111.3 | E56 L58 D61 M66 E117 | E56-K64 PolarHBondContact O-NZ 2.91Å; L58-K64 HydrophobicContact CG-CB 4.48Å; D61-K64 HydrophobicContact CB-CB 3.95Å; D61-K64 HydrophobicContact CB-CD 3.75Å; D61-K64 HydrophobicContact CB-CG 3.75Å; D61-K64 PolarHBondContact O-N 3.28Å; D61-K64 WeakPolarHBondContact OD2-CE 3.47Å; D61-K64 WeakPolarHBondContact OD2-CG 3.46Å; K64-M66 VanDerWaalsContact C-N 3.33Å; K64-M66 PolarHBondContact O-N 3.4Å; K64-E117 WeakPolarHBondContact CD-OE2 3.31Å; K64-E117 WeakPolarHBondContact CE-OE2 3.43Å; K64-E117 IonicContact NZ-OE2 2.63Å; K64-E117 PolarHBondContact NZ-OE2 2.81Å |
| 65 | R | 97.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 77.4 Ų | 77.4 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.1 | -24.2 | -178.6 | 70.2 | 177.8 | 176.5 | -91.5 | -5.8 | 114.1 | L58 L59 G60 D61 P62 R67 Y68 Y76 | L58-R65 WeakPolarHBondContact O-CB 3.11Å; L58-R65 PolarHBondContact O-N 3.26Å; L59-R65 WeakPolarHBondContact O-CD 3.31Å; L59-R65 PolarHBondContact O-NH1 3.04Å; G60-R65 VanDerWaalsContact C-NH1 3.28Å; G60-R65 PolarHBondContact O-NH1 3.19Å; D61-R65 VanDerWaalsContact C-NH1 3.34Å; D61-R65 WeakPolarHBondContact O-CG 3.23Å; D61-R65 PolarHBondContact O-N 2.81Å; D61-R65 VanDerWaalsContact O-N 3.1Å; P62-R65 VanDerWaalsContact CA-CZ 3.49Å; R65-R67 PolarHBondContact O-N 3.28Å; R65-R67 VanDerWaalsContact O-N 3.09Å; R65-Y68 PolarHBondContact O-N 3.18Å; R65-Y76 HydrophobicContact CB-CD1 4.11Å; R65-Y76 HydrophobicContact CB-CE1 3.84Å; R65-Y76 VanDerWaalsContact CD-CZ 3.5Å; R65-Y76 WeakPolarHBondContact CD-OH 3.28Å; R65-Y76 HydrophobicContact CG-CD1 4.33Å; R65-Y76 HydrophobicContact CG-CE1 3.58Å; R65-Y76 PolarHBondContact NE-OH 2.9Å; R65-Y76 VanDerWaalsContact O-CD1 3.27Å; R65-Y76 WeakPolarHBondContact O-CD1 3.26Å; R65-Y76 VanDerWaalsContact O-CE1 3.25Å; R65-Y76 WeakPolarHBondContact O-CE1 3.49Å |
| 66 | M | 96.8 | Very high | 97.3 | Very high | 111 Ų | 111 | 75 Ų | 75 | 55% | 0.547 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.5 | -34.2 | -177.5 | -170.8 | 61.1 | 68 | 0 | 0 | 113 | P62 K64 Y68 F69 | P62-M66 WeakPolarHBondContact O-CB 3.36Å; P62-M66 PolarHBondContact O-N 2.84Å; P62-M66 VanDerWaalsContact O-N 3.13Å; K64-M66 VanDerWaalsContact C-N 3.33Å; K64-M66 PolarHBondContact O-N 3.4Å; M66-Y68 PolarHBondContact O-N 3.38Å; M66-Y68 VanDerWaalsContact O-N 3.14Å; M66-F69 WeakPolarHBondContact O-CB 3.33Å; M66-F69 PolarHBondContact O-N 3.1Å; M66-F69 VanDerWaalsContact O-N 3.16Å; M66-F69 HydrophobicContact SD-CB 4.38Å |
| 67 | R | 96.9 | Very high | 97.4 | Very high | 218 Ų | 218 | 72 Ų | 72 | 82% | 0.823 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.9 | 177.2 | -178.5 | 177.2 | 177 | -175 | -1.2 | 113.5 | R65 | R65-R67 PolarHBondContact O-N 3.28Å; R65-R67 VanDerWaalsContact O-N 3.09Å |
| 68 | Y | 97.9 | Very high | 97.4 | Very high | 62 Ų | 62 | 71.9 Ų | 71.9 | 24% | 0.243 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 2.1 | -176.5 | -58 | -83.3 | 0 | 0 | 0 | 112.8 | L58 R65 M66 Y76 F77 F78 F115 | L58-Y68 HydrophobicContact CD1-CE2 3.94Å; L58-Y68 HydrophobicContact CD2-CD2 4.25Å; L58-Y68 HydrophobicContact CD2-CE2 4.14Å; L58-Y68 HydrophobicContact CG-CE2 4.37Å; R65-Y68 PolarHBondContact O-N 3.18Å; M66-Y68 PolarHBondContact O-N 3.38Å; M66-Y68 VanDerWaalsContact O-N 3.14Å; Y68-Y76 CarbonylContact O-C 3.56Å; Y68-Y76 VanDerWaalsContact O-CA 3.32Å; Y68-Y76 WeakPolarHBondContact O-CA 3.31Å; Y68-F77 PolarHBondContact O-N 3.48Å; Y68-F78 AromaticContact CD1-CD1 3.75Å; Y68-F78 HydrophobicContact CD1-CD1 3.75Å; Y68-F78 AromaticContact CD1-CE1 3.62Å; Y68-F78 HydrophobicContact CD1-CE1 3.62Å; Y68-F78 HydrophobicContact CD1-CZ 4.37Å; Y68-F78 AromaticContact CD2-CE1 3.63Å; Y68-F78 HydrophobicContact CD2-CE1 3.63Å; Y68-F78 AromaticContact CD2-CZ 3.99Å; Y68-F78 HydrophobicContact CD2-CZ 3.99Å; Y68-F78 HydrophobicContact CE1-CD1 4.03Å; Y68-F78 AromaticContact CE1-CE1 3.95Å; Y68-F78 HydrophobicContact CE1-CE1 3.95Å; Y68-F78 AromaticContact CE2-CE1 3.96Å; Y68-F78 HydrophobicContact CE2-CE1 3.96Å; Y68-F78 HydrophobicContact CG-CD1 4.04Å; Y68-F78 AromaticContact CG-CE1 3.44Å; Y68-F78 HydrophobicContact CG-CE1 3.44Å; Y68-F78 VanDerWaalsContact CG-CE1 3.44Å; Y68-F78 AromaticContact CG-CZ 3.81Å; Y68-F78 HydrophobicContact CG-CZ 3.81Å; Y68-F115 HydrophobicContact CE1-CZ 4.12Å; Y68-F115 AromaticContact CZ-CZ 3.91Å |
| 69 | F | 98.1 | Very high | 97.4 | Very high | 67 Ų | 67 | 78 Ų | 78 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127 | -176.9 | -172.2 | -114.4 | 0 | 0 | 0 | 111.9 | M66 P71 N74 Y76 | M66-F69 WeakPolarHBondContact O-CB 3.33Å; M66-F69 PolarHBondContact O-N 3.1Å; M66-F69 VanDerWaalsContact O-N 3.16Å; M66-F69 HydrophobicContact SD-CB 4.38Å; F69-P71 HydrophobicContact CD1-CB 4.46Å; F69-P71 HydrophobicContact CE1-CB 4.11Å; F69-P71 WeakPolarHBondContact O-CD 3.39Å; F69-N74 VanDerWaalsContact CZ-OD1 3.32Å; F69-N74 WeakPolarHBondContact CZ-OD1 3.38Å; F69-Y76 HydrophobicContact CB-CD1 3.86Å; F69-Y76 HydrophobicContact CB-CE1 3.63Å; F69-Y76 HydrophobicContact CD2-CD1 4.06Å; F69-Y76 HydrophobicContact CD2-CD2 4.33Å; F69-Y76 AromaticContact CD2-CE1 3.78Å; F69-Y76 HydrophobicContact CD2-CE1 3.78Å; F69-Y76 HydrophobicContact CD2-CE2 4.09Å; F69-Y76 HydrophobicContact CD2-CG 4.33Å; F69-Y76 AromaticContact CD2-CZ 3.8Å; F69-Y76 HydrophobicContact CG-CD1 4.46Å; F69-Y76 HydrophobicContact CG-CE1 4.09Å |
| 70 | D | 97.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 106.9 | 169.7 | -177.2 | -12 | 0 | 0 | 0 | 109.9 | L72 R73 N74 E75 | D70-L72 VanDerWaalsContact C-N 3.26Å; D70-L72 PolarHBondContact O-N 3.23Å; D70-L72 WeakPolarHBondContact OD1-CB 3.49Å; D70-L72 PolarHBondContact OD1-N 3.22Å; D70-R73 PolarHBondContact O-N 2.77Å; D70-R73 VanDerWaalsContact OD2-CD 3.29Å; D70-R73 WeakPolarHBondContact OD2-CD 3.38Å; D70-N74 WeakPolarHBondContact O-CA 3.46Å; D70-N74 PolarHBondContact O-N 3.46Å; D70-E75 PolarHBondContact N-O 3.34Å; D70-E75 PolarHBondContact O-N 3.41Å |
| 71 | P | 96.3 | Very high | 97.3 | Very high | 102 Ų | 102 | 83.4 Ų | 83.4 | 66% | 0.662 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -19.5 | -177.9 | 29.6 | -35.7 | 0 | 0 | 0 | 113.6 | F69 | F69-P71 HydrophobicContact CD1-CB 4.46Å; F69-P71 HydrophobicContact CE1-CB 4.11Å; F69-P71 WeakPolarHBondContact O-CD 3.39Å |
| 72 | L | 96.9 | Very high | 97.3 | Very high | 164 Ų | 164 | 86.5 Ų | 86.5 | 86% | 0.859 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -30.6 | 179.1 | -62.5 | 176.7 | 0 | 0 | 0 | 111.7 | D70 | D70-L72 VanDerWaalsContact C-N 3.26Å; D70-L72 PolarHBondContact O-N 3.23Å; D70-L72 WeakPolarHBondContact OD1-CB 3.49Å; D70-L72 PolarHBondContact OD1-N 3.22Å |
| 73 | R | 95.4 | Very high | 97.4 | Very high | 128 Ų | 128 | 85.7 Ų | 85.7 | 48% | 0.483 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -6.9 | -175.9 | -65.6 | 173.1 | 63.7 | 143.3 | -12.2 | 113 | N38 D70 E75 | N38-R73 PolarHBondContact ND2-NH2 3.28Å; D70-R73 PolarHBondContact O-N 2.77Å; D70-R73 VanDerWaalsContact OD2-CD 3.29Å; D70-R73 WeakPolarHBondContact OD2-CD 3.38Å; R73-E75 HydrophobicContact CB-CG 3.78Å; R73-E75 IonicContact CZ-OE1 3.17Å; R73-E75 IonicContact NE-OE1 2.77Å; R73-E75 PolarHBondContact NE-OE1 3.11Å; R73-E75 IonicContact NE-OE2 3.97Å; R73-E75 IonicContact NH2-OE1 2.86Å; R73-E75 PolarHBondContact NH2-OE1 3.29Å; R73-E75 IonicContact NH2-OE2 3.94Å; R73-E75 PolarHBondContact O-N 3.12Å |
| 74 | N | 95.7 | Very high | 97.4 | Very high | 111 Ų | 111 | 77.1 Ų | 77.1 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 43.9 | -176.2 | -164 | 45 | 0 | 0 | 0 | 112.1 | F69 D70 | F69-N74 VanDerWaalsContact CZ-OD1 3.32Å; F69-N74 WeakPolarHBondContact CZ-OD1 3.38Å; D70-N74 WeakPolarHBondContact O-CA 3.46Å; D70-N74 PolarHBondContact O-N 3.46Å |
| 75 | E | 97.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.2 | -178.6 | 69.4 | -171.8 | -164.9 | 0 | 0 | 110.8 | V36 N38 R43 D70 R73 | V36-E75 HydrophobicContact CB-CB 3.85Å; V36-E75 HydrophobicContact CG1-CB 3.75Å; V36-E75 WeakPolarHBondContact O-CA 3.44Å; N38-E75 HydrophobicContact CB-CG 4.2Å; N38-E75 PolarHBondContact ND2-OE1 2.8Å; R43-E75 IonicContact CZ-OE2 3.66Å; R43-E75 IonicContact NE-OE2 2.86Å; R43-E75 PolarHBondContact NE-OE2 2.81Å; R43-E75 IonicContact NH2-OE2 3.57Å; D70-E75 PolarHBondContact N-O 3.34Å; D70-E75 PolarHBondContact O-N 3.41Å; R73-E75 HydrophobicContact CB-CG 3.78Å; R73-E75 IonicContact CZ-OE1 3.17Å; R73-E75 IonicContact NE-OE1 2.77Å; R73-E75 PolarHBondContact NE-OE1 3.11Å; R73-E75 IonicContact NE-OE2 3.97Å; R73-E75 IonicContact NH2-OE1 2.86Å; R73-E75 PolarHBondContact NH2-OE1 3.29Å; R73-E75 IonicContact NH2-OE2 3.94Å; R73-E75 PolarHBondContact O-N 3.12Å |
| 76 | Y | 98.4 | Very high | 97.4 | Very high | 25 Ų | 25 | 77.9 Ų | 77.9 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.3 | 168.1 | -66.3 | -83.8 | 0 | 0 | 0 | 109.4 | V35 V36 I37 N38 R65 Y68 F69 | V35-Y76 HydrophobicContact CG1-CD2 3.54Å; V35-Y76 HydrophobicContact CG1-CE2 3.54Å; V36-Y76 PolarHBondContact O-N 3.22Å; I37-Y76 CarbonylContact C-O 3.57Å; I37-Y76 WeakPolarHBondContact CA-O 3.49Å; N38-Y76 PolarHBondContact N-O 3.08Å; R65-Y76 HydrophobicContact CB-CD1 4.11Å; R65-Y76 HydrophobicContact CB-CE1 3.84Å; R65-Y76 VanDerWaalsContact CD-CZ 3.5Å; R65-Y76 WeakPolarHBondContact CD-OH 3.28Å; R65-Y76 HydrophobicContact CG-CD1 4.33Å; R65-Y76 HydrophobicContact CG-CE1 3.58Å; R65-Y76 PolarHBondContact NE-OH 2.9Å; R65-Y76 VanDerWaalsContact O-CD1 3.27Å; R65-Y76 WeakPolarHBondContact O-CD1 3.26Å; R65-Y76 VanDerWaalsContact O-CE1 3.25Å; R65-Y76 WeakPolarHBondContact O-CE1 3.49Å; Y68-Y76 CarbonylContact O-C 3.56Å; Y68-Y76 VanDerWaalsContact O-CA 3.32Å; Y68-Y76 WeakPolarHBondContact O-CA 3.31Å; F69-Y76 HydrophobicContact CB-CD1 3.86Å; F69-Y76 HydrophobicContact CB-CE1 3.63Å; F69-Y76 HydrophobicContact CD2-CD1 4.06Å; F69-Y76 HydrophobicContact CD2-CD2 4.33Å; F69-Y76 AromaticContact CD2-CE1 3.78Å; F69-Y76 HydrophobicContact CD2-CE1 3.78Å; F69-Y76 HydrophobicContact CD2-CE2 4.09Å; F69-Y76 HydrophobicContact CD2-CG 4.33Å; F69-Y76 AromaticContact CD2-CZ 3.8Å; F69-Y76 HydrophobicContact CG-CD1 4.46Å; F69-Y76 HydrophobicContact CG-CE1 4.09Å |
| 77 | F | 98.6 | Very high | 97.4 | Very high | 88 Ų | 88 | 73 Ų | 73 | 39% | 0.386 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129 | -178.1 | -179 | -99.9 | 0 | 0 | 0 | 112.3 | N38 Y68 D79 | N38-F77 HydrophobicContact CB-CD2 4.09Å; N38-F77 WeakPolarHBondContact O-CA 3.43Å; Y68-F77 PolarHBondContact O-N 3.48Å; F77-D79 HydrophobicContact CE1-CB 4.06Å; F77-D79 HydrophobicContact CZ-CB 4.35Å |
| 78 | F | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.5 | 175.6 | -62.8 | -88.3 | 0 | 0 | 0 | 109.8 | I37 N38 I39 S40 L58 L59 Y68 R80 F115 Y116 | I37-F78 HydrophobicContact CG2-CD2 3.77Å; I37-F78 HydrophobicContact CG2-CE2 3.8Å; N38-F78 PolarHBondContact O-N 3.1Å; I39-F78 CarbonylContact C-O 3.53Å; I39-F78 WeakPolarHBondContact CA-O 3.32Å; I39-F78 HydrophobicContact CD1-CB 3.77Å; I39-F78 HydrophobicContact CD1-CD2 3.78Å; I39-F78 HydrophobicContact CD1-CG 4.09Å; S40-F78 PolarHBondContact N-O 2.82Å; L58-F78 HydrophobicContact CD2-CE1 3.64Å; L58-F78 HydrophobicContact CD2-CZ 3.63Å; L59-F78 HydrophobicContact CD2-CE2 3.8Å; L59-F78 HydrophobicContact CD2-CZ 3.62Å; Y68-F78 AromaticContact CD1-CD1 3.75Å; Y68-F78 HydrophobicContact CD1-CD1 3.75Å; Y68-F78 AromaticContact CD1-CE1 3.62Å; Y68-F78 HydrophobicContact CD1-CE1 3.62Å; Y68-F78 HydrophobicContact CD1-CZ 4.37Å; Y68-F78 AromaticContact CD2-CE1 3.63Å; Y68-F78 HydrophobicContact CD2-CE1 3.63Å; Y68-F78 AromaticContact CD2-CZ 3.99Å; Y68-F78 HydrophobicContact CD2-CZ 3.99Å; Y68-F78 HydrophobicContact CE1-CD1 4.03Å; Y68-F78 AromaticContact CE1-CE1 3.95Å; Y68-F78 HydrophobicContact CE1-CE1 3.95Å; Y68-F78 AromaticContact CE2-CE1 3.96Å; Y68-F78 HydrophobicContact CE2-CE1 3.96Å; Y68-F78 HydrophobicContact CG-CD1 4.04Å; Y68-F78 AromaticContact CG-CE1 3.44Å; Y68-F78 HydrophobicContact CG-CE1 3.44Å; Y68-F78 VanDerWaalsContact CG-CE1 3.44Å; Y68-F78 AromaticContact CG-CZ 3.81Å; Y68-F78 HydrophobicContact CG-CZ 3.81Å; F78-R80 HydrophobicContact CB-CB 4.47Å; F78-R80 HydrophobicContact CB-CG 4.27Å; F78-R80 PolarHBondContact O-N 3.06Å; F78-F115 AromaticContact CD1-CE1 3.62Å; F78-F115 HydrophobicContact CD1-CE1 3.62Å; F78-F115 AromaticContact CD1-CZ 3.77Å; F78-F115 HydrophobicContact CD1-CZ 3.77Å; F78-F115 AromaticContact CE1-CE1 3.85Å; F78-F115 HydrophobicContact CE1-CE1 3.85Å; F78-F115 HydrophobicContact CE1-CZ 4.01Å; F78-Y116 HydrophobicContact CD1-CE1 4.24Å; F78-Y116 HydrophobicContact CE1-CE1 4.18Å; F78-Y116 HydrophobicContact CG-CE1 4.48Å; F78-Y116 HydrophobicContact CZ-CE1 4.38Å |
| 79 | D | 97.9 | Very high | 97.5 | Very high | 132 Ų | 132 | 60 Ų | 60 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | trans | -89.3 | 76.8 | 173.1 | -165.7 | 21.1 | 0 | 0 | 0 | 110.5 | S40 F77 | S40-D79 WeakPolarHBondContact OG-CA 3.41Å; S40-D79 PolarHBondContact OG-OD1 2.75Å; F77-D79 HydrophobicContact CE1-CB 4.06Å; F77-D79 HydrophobicContact CZ-CB 4.35Å | ||
| 80 | R | 97.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 25% | 0.249 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -142.7 | 179.5 | -167.2 | -66.3 | -155.6 | 72.5 | 91.5 | 5.5 | 113.8 | S40 F78 R82 E112 F115 | S40-R80 PolarHBondContact OG-N 2.86Å; S40-R80 PolarHBondContact OG-O 3.37Å; F78-R80 HydrophobicContact CB-CB 4.47Å; F78-R80 HydrophobicContact CB-CG 4.27Å; F78-R80 PolarHBondContact O-N 3.06Å; R80-R82 PolarHBondContact O-N 2.83Å; R80-R82 VanDerWaalsContact O-N 3.11Å; R80-E112 IonicContact CZ-OE1 3.39Å; R80-E112 VanDerWaalsContact CZ-OE1 3.24Å; R80-E112 IonicContact CZ-OE2 2.99Å; R80-E112 VanDerWaalsContact NE-CD 3.31Å; R80-E112 IonicContact NE-OE1 3.47Å; R80-E112 PolarHBondContact NE-OE1 2.99Å; R80-E112 IonicContact NE-OE2 3.8Å; R80-E112 PolarHBondContact NE-OE2 3.11Å; R80-E112 IonicContact NH2-OE1 3.97Å; R80-E112 PolarHBondContact NH2-OE1 3.49Å; R80-E112 IonicContact NH2-OE2 2.6Å; R80-F115 HydrophobicContact CG-CE1 4.41Å; R80-F115 VanDerWaalsContact NH1-CG 3.29Å |
| 81 | N | 97.1 | Very high | 97.6 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | trans | -65.1 | 110.6 | -176.4 | -172.2 | -86 | 0 | 0 | 0 | 111.9 | P83 S84 I108 E112 | N81-P83 VanDerWaalsContact OD1-CD 3.24Å; N81-P83 WeakPolarHBondContact OD1-CD 3.44Å; N81-S84 WeakPolarHBondContact OD1-CB 3.38Å; N81-S84 PolarHBondContact OD1-N 3.46Å; N81-S84 PolarHBondContact OD1-OG 2.99Å; N81-I108 HydrophobicContact CB-CG2 4.21Å; N81-E112 HydrophobicContact CB-CG 4.18Å | ||
| 82 | R | 97.6 | Very high | 97.7 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62 | -50.2 | -176.9 | -53.7 | 167.9 | 53 | 127.8 | -5.1 | 112.8 | I39 S40 L42 R80 S84 F85 | I39-R82 HydrophobicContact CG2-CB 4.5Å; I39-R82 HydrophobicContact CG2-CG 4.23Å; I39-R82 WeakPolarHBondContact O-CG 3.25Å; S40-R82 PolarHBondContact O-NH1 2.92Å; L42-R82 HydrophobicContact CD2-CB 4.36Å; R80-R82 PolarHBondContact O-N 2.83Å; R80-R82 VanDerWaalsContact O-N 3.11Å; R82-S84 VanDerWaalsContact C-N 3.25Å; R82-S84 PolarHBondContact O-N 3.48Å; R82-F85 PolarHBondContact O-N 3.43Å |
| 83 | P | 97.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 53 Ų | 53 | 34% | 0.344 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.8 | -27 | -176.5 | -25.7 | 36.3 | 0 | 0 | 0 | 114.9 | N81 F85 P101 V104 | N81-P83 VanDerWaalsContact OD1-CD 3.24Å; N81-P83 WeakPolarHBondContact OD1-CD 3.44Å; P83-F85 VanDerWaalsContact C-N 3.34Å; P83-P101 WeakPolarHBondContact O-CG 3.43Å; P83-V104 HydrophobicContact CB-CG2 3.57Å |
| 84 | S | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.6 | -32.4 | 177.1 | -67 | 0 | 0 | 0 | 0 | 113.6 | N81 R82 D86 A87 I88 V104 | N81-S84 WeakPolarHBondContact OD1-CB 3.38Å; N81-S84 PolarHBondContact OD1-N 3.46Å; N81-S84 PolarHBondContact OD1-OG 2.99Å; R82-S84 VanDerWaalsContact C-N 3.25Å; R82-S84 PolarHBondContact O-N 3.48Å; S84-D86 VanDerWaalsContact C-N 3.28Å; S84-D86 PolarHBondContact O-N 3.33Å; S84-A87 PolarHBondContact O-N 2.87Å; S84-A87 VanDerWaalsContact O-N 3.17Å; S84-I88 PolarHBondContact O-N 3.3Å; S84-V104 WeakPolarHBondContact OG-CG1 3.46Å |
| 85 | F | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.3 | -25 | -166.4 | -165.6 | -102 | 0 | 0 | 0 | 113.8 | I37 I39 F44 L59 R82 P83 A87 I88 L89 Y116 | I37-F85 HydrophobicContact CB-CE1 4.26Å; I37-F85 HydrophobicContact CB-CZ 4.19Å; I37-F85 HydrophobicContact CD1-CE1 4.33Å; I37-F85 HydrophobicContact CD1-CZ 3.82Å; I37-F85 HydrophobicContact CG2-CE1 3.99Å; I37-F85 HydrophobicContact CG2-CE2 4.32Å; I37-F85 HydrophobicContact CG2-CZ 3.61Å; I39-F85 HydrophobicContact CD1-CB 4.49Å; I39-F85 HydrophobicContact CD1-CD1 4.1Å; I39-F85 HydrophobicContact CD1-CD2 3.62Å; I39-F85 HydrophobicContact CD1-CE1 4.2Å; I39-F85 HydrophobicContact CD1-CE2 3.75Å; I39-F85 HydrophobicContact CD1-CG 3.8Å; I39-F85 HydrophobicContact CD1-CZ 4.05Å; I39-F85 HydrophobicContact CG1-CB 3.84Å; I39-F85 HydrophobicContact CG1-CD1 3.6Å; I39-F85 HydrophobicContact CG1-CD2 3.86Å; I39-F85 HydrophobicContact CG1-CE1 4.07Å; I39-F85 HydrophobicContact CG1-CE2 4.32Å; I39-F85 HydrophobicContact CG1-CG 3.47Å; I39-F85 VanDerWaalsContact CG1-CG 3.47Å; I39-F85 HydrophobicContact CG1-CZ 4.42Å; I39-F85 HydrophobicContact CG2-CB 4.37Å; F44-F85 HydrophobicContact CB-CD1 4.29Å; F44-F85 HydrophobicContact CB-CE1 3.9Å; F44-F85 AromaticContact CD1-CD1 3.9Å; F44-F85 HydrophobicContact CD1-CD1 3.9Å; F44-F85 HydrophobicContact CD1-CE1 4.26Å; F44-F85 AromaticContact CD2-CD1 3.39Å; F44-F85 HydrophobicContact CD2-CD1 3.39Å; F44-F85 AromaticContact CD2-CE1 3.8Å; F44-F85 HydrophobicContact CD2-CE1 3.8Å; F44-F85 HydrophobicContact CD2-CG 4.42Å; F44-F85 HydrophobicContact CE1-CD1 4Å; F44-F85 HydrophobicContact CE2-CB 4.12Å; F44-F85 AromaticContact CE2-CD1 3.5Å; F44-F85 HydrophobicContact CE2-CD1 3.5Å; F44-F85 VanDerWaalsContact CE2-CD1 3.5Å; F44-F85 HydrophobicContact CE2-CE1 4.36Å; F44-F85 HydrophobicContact CE2-CG 4.2Å; F44-F85 AromaticContact CG-CD1 3.58Å; F44-F85 HydrophobicContact CG-CD1 3.58Å; F44-F85 AromaticContact CG-CE1 3.72Å; F44-F85 HydrophobicContact CG-CE1 3.72Å; F44-F85 HydrophobicContact CZ-CB 4.16Å; F44-F85 AromaticContact CZ-CD1 3.81Å; F44-F85 HydrophobicContact CZ-CD1 3.81Å; F44-F85 HydrophobicContact CZ-CG 4.47Å; L59-F85 HydrophobicContact CD1-CE2 3.93Å; L59-F85 HydrophobicContact CD1-CZ 3.94Å; R82-F85 PolarHBondContact O-N 3.43Å; P83-F85 VanDerWaalsContact C-N 3.34Å; F85-A87 VanDerWaalsContact C-N 3.27Å; F85-A87 PolarHBondContact O-N 3.17Å; F85-I88 HydrophobicContact CD2-CB 4.13Å; F85-I88 HydrophobicContact CD2-CG2 4.26Å; F85-I88 HydrophobicContact CE2-CB 4.46Å; F85-I88 HydrophobicContact CE2-CG2 4.14Å; F85-I88 PolarHBondContact O-N 2.96Å; F85-L89 HydrophobicContact CD1-CB 4.31Å; F85-L89 HydrophobicContact CE1-CB 4.03Å; F85-L89 HydrophobicContact CE1-CD2 4.39Å; F85-L89 WeakPolarHBondContact O-CB 3.39Å; F85-L89 PolarHBondContact O-N 3.4Å; F85-Y116 HydrophobicContact CD2-CE1 4.16Å; F85-Y116 AromaticContact CD2-CE2 3.84Å; F85-Y116 HydrophobicContact CD2-CE2 3.84Å; F85-Y116 AromaticContact CD2-CZ 3.52Å; F85-Y116 VanDerWaalsContact CD2-OH 3.31Å; F85-Y116 WeakPolarHBondContact CD2-OH 3.43Å; F85-Y116 HydrophobicContact CE2-CD1 4.43Å; F85-Y116 AromaticContact CE2-CE1 3.69Å; F85-Y116 HydrophobicContact CE2-CE1 3.69Å; F85-Y116 HydrophobicContact CE2-CE2 4.18Å; F85-Y116 AromaticContact CE2-CZ 3.55Å |
| 86 | D | 97.2 | Very high | 97.7 | Very high | 98 Ų | 98 | 45.7 Ų | 45.7 | 52% | 0.524 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -53.9 | -46.6 | 172.4 | -83.9 | -52.5 | 0 | 0 | 0 | 111.3 | F44 S84 Y90 | F44-D86 WeakPolarHBondContact CE1-OD1 3.34Å; S84-D86 VanDerWaalsContact C-N 3.28Å; S84-D86 PolarHBondContact O-N 3.33Å; D86-Y90 VanDerWaalsContact O-CB 3.25Å; D86-Y90 WeakPolarHBondContact O-CB 3.36Å; D86-Y90 PolarHBondContact O-N 3.14Å |
| 87 | A | 97.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.3 | -35.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S84 F85 Y90 Y91 R99 P101 F109 | S84-A87 PolarHBondContact O-N 2.87Å; S84-A87 VanDerWaalsContact O-N 3.17Å; F85-A87 VanDerWaalsContact C-N 3.27Å; F85-A87 PolarHBondContact O-N 3.17Å; A87-Y90 PolarHBondContact O-N 3.16Å; A87-Y91 PolarHBondContact O-N 3.01Å; A87-R99 WeakPolarHBondContact CB-O 3.46Å; A87-P101 HydrophobicContact CB-CG 3.88Å; A87-F109 HydrophobicContact CB-CE2 3.69Å; A87-F109 HydrophobicContact CB-CZ 3.57Å |
| 88 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.9 | -59.8 | -62.7 | 0 | 0 | 0 | 110.2 | S84 F85 Y91 Y92 F109 E112 I113 Y116 L118 | S84-I88 PolarHBondContact O-N 3.3Å; F85-I88 HydrophobicContact CD2-CB 4.13Å; F85-I88 HydrophobicContact CD2-CG2 4.26Å; F85-I88 HydrophobicContact CE2-CB 4.46Å; F85-I88 HydrophobicContact CE2-CG2 4.14Å; F85-I88 PolarHBondContact O-N 2.96Å; I88-Y91 WeakPolarHBondContact O-CB 3.19Å; I88-Y91 PolarHBondContact O-N 3.21Å; I88-Y92 HydrophobicContact CG2-CE2 4.28Å; I88-Y92 WeakPolarHBondContact O-CD2 3.26Å; I88-F109 HydrophobicContact CD1-CE2 4.23Å; I88-F109 HydrophobicContact CD1-CZ 4.41Å; I88-F109 HydrophobicContact CG1-CE2 4.47Å; I88-E112 HydrophobicContact CD1-CB 4.5Å; I88-I113 HydrophobicContact CD1-CG1 4.21Å; I88-Y116 HydrophobicContact CB-CD2 4.35Å; I88-Y116 HydrophobicContact CD1-CD2 4.15Å; I88-Y116 HydrophobicContact CG1-CD2 3.87Å; I88-Y116 HydrophobicContact CG1-CE2 4.22Å; I88-Y116 HydrophobicContact CG2-CD1 4.37Å; I88-Y116 HydrophobicContact CG2-CD2 3.74Å; I88-Y116 HydrophobicContact CG2-CE2 4.3Å; I88-Y116 HydrophobicContact CG2-CG 3.79Å; I88-L118 HydrophobicContact CD1-CD1 3.81Å |
| 89 | L | 98.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 178.2 | -176.1 | 60.7 | 0 | 0 | 0 | 111.6 | F44 T46 F85 Y91 Y92 Q93 | F44-L89 HydrophobicContact CB-CD2 3.99Å; F44-L89 HydrophobicContact CD1-CD2 3.82Å; F44-L89 HydrophobicContact CG-CD2 4.28Å; T46-L89 HydrophobicContact CG2-CD1 3.99Å; F85-L89 HydrophobicContact CD1-CB 4.31Å; F85-L89 HydrophobicContact CE1-CB 4.03Å; F85-L89 HydrophobicContact CE1-CD2 4.39Å; F85-L89 WeakPolarHBondContact O-CB 3.39Å; F85-L89 PolarHBondContact O-N 3.4Å; L89-Y91 PolarHBondContact O-N 2.84Å; L89-Y92 PolarHBondContact O-N 3.22Å; L89-Y92 VanDerWaalsContact O-N 3.16Å; L89-Q93 WeakPolarHBondContact O-CG 3.38Å; L89-Q93 PolarHBondContact O-N 3.35Å; L89-Q93 VanDerWaalsContact O-N 3.14Å |
| 90 | Y | 98.1 | Very high | 97.1 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -31.2 | 176.7 | -173.2 | -103.8 | 0 | 0 | 0 | 112.7 | D86 A87 Y92 Q93 S94 R97 | D86-Y90 VanDerWaalsContact O-CB 3.25Å; D86-Y90 WeakPolarHBondContact O-CB 3.36Å; D86-Y90 PolarHBondContact O-N 3.14Å; A87-Y90 PolarHBondContact O-N 3.16Å; Y90-Y92 VanDerWaalsContact C-N 3.32Å; Y90-Y92 PolarHBondContact O-N 3.34Å; Y90-Q93 PolarHBondContact O-N 3.12Å; Y90-S94 VanDerWaalsContact O-CB 3.24Å; Y90-S94 WeakPolarHBondContact O-CB 3.11Å; Y90-S94 PolarHBondContact O-N 2.91Å; Y90-S94 PolarHBondContact O-OG 2.69Å; Y90-R97 HydrophobicContact CE1-CB 4.17Å |
| 91 | Y | 98.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.3 | -46.6 | 172.5 | 170.9 | -96.9 | 0 | 0 | 0 | 111.8 | F54 A87 I88 L89 S94 G95 G96 R97 L98 L118 A122 | F54-Y91 HydrophobicContact CD1-CE1 4Å; F54-Y91 HydrophobicContact CD2-CD1 4.38Å; F54-Y91 AromaticContact CD2-CE1 3.88Å; F54-Y91 HydrophobicContact CD2-CE1 3.88Å; F54-Y91 HydrophobicContact CE1-CE1 4.01Å; F54-Y91 AromaticContact CE1-CZ 3.84Å; F54-Y91 WeakPolarHBondContact CE1-OH 3.44Å; F54-Y91 HydrophobicContact CE2-CD1 4.29Å; F54-Y91 AromaticContact CE2-CE1 3.89Å; F54-Y91 HydrophobicContact CE2-CE1 3.89Å; F54-Y91 AromaticContact CG-CE1 3.94Å; F54-Y91 HydrophobicContact CG-CE1 3.94Å; F54-Y91 AromaticContact CZ-CE1 3.95Å; F54-Y91 HydrophobicContact CZ-CE1 3.95Å; F54-Y91 AromaticContact CZ-CZ 3.95Å; A87-Y91 PolarHBondContact O-N 3.01Å; I88-Y91 WeakPolarHBondContact O-CB 3.19Å; I88-Y91 PolarHBondContact O-N 3.21Å; L89-Y91 PolarHBondContact O-N 2.84Å; Y91-S94 PolarHBondContact O-OG 3.34Å; Y91-G95 PolarHBondContact O-N 3.14Å; Y91-G96 VanDerWaalsContact CD2-C 3.43Å; Y91-G96 WeakPolarHBondContact CD2-O 3.38Å; Y91-G96 VanDerWaalsContact CE2-CA 3.45Å; Y91-G96 WeakPolarHBondContact CE2-O 3.21Å; Y91-G96 PolarHBondContact O-N 2.97Å; Y91-R97 WeakPolarHBondContact CA-O 3.41Å; Y91-L98 HydrophobicContact CD2-CB 3.96Å; Y91-L98 HydrophobicContact CD2-CD1 4.47Å; Y91-L118 HydrophobicContact CD1-CD1 4.06Å; Y91-L118 HydrophobicContact CD1-CD2 3.93Å; Y91-L118 HydrophobicContact CE1-CB 4.49Å; Y91-L118 HydrophobicContact CE1-CD1 4.44Å; Y91-L118 HydrophobicContact CE1-CD2 4.04Å; Y91-L118 HydrophobicContact CG-CD1 4.12Å; Y91-A122 HydrophobicContact CE2-CB 3.98Å |
| 92 | Y | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 175.1 | -64.9 | -94.4 | 0 | 0 | 0 | 111.8 | L51 Q53 F54 T57 L59 I88 L89 Y90 S94 G95 L118 | L51-Y92 HydrophobicContact CD2-CD1 4.04Å; L51-Y92 HydrophobicContact CD2-CD2 4.34Å; L51-Y92 HydrophobicContact CD2-CE1 4.27Å; L51-Y92 HydrophobicContact CD2-CG 4.09Å; Q53-Y92 PolarHBondContact OE1-O 3.13Å; F54-Y92 HydrophobicContact CB-CD1 4.29Å; F54-Y92 HydrophobicContact CB-CE1 3.91Å; F54-Y92 AromaticContact CD2-CD1 3.65Å; F54-Y92 HydrophobicContact CD2-CD1 3.65Å; F54-Y92 HydrophobicContact CD2-CE1 4.1Å; F54-Y92 HydrophobicContact CD2-CG 4.34Å; F54-Y92 HydrophobicContact CG-CD1 4.42Å; F54-Y92 HydrophobicContact CG-CE1 4.44Å; T57-Y92 WeakPolarHBondContact CB-OH 3.3Å; T57-Y92 WeakPolarHBondContact OG1-CE1 3.43Å; T57-Y92 PolarHBondContact OG1-OH 3.39Å; L59-Y92 HydrophobicContact CD1-CE2 4.1Å; I88-Y92 HydrophobicContact CG2-CE2 4.28Å; I88-Y92 WeakPolarHBondContact O-CD2 3.26Å; L89-Y92 PolarHBondContact O-N 3.22Å; L89-Y92 VanDerWaalsContact O-N 3.16Å; Y90-Y92 VanDerWaalsContact C-N 3.32Å; Y90-Y92 PolarHBondContact O-N 3.34Å; Y92-S94 VanDerWaalsContact C-N 3.34Å; Y92-S94 PolarHBondContact O-N 3.16Å; Y92-G95 PolarHBondContact O-N 2.99Å; Y92-L118 HydrophobicContact CE2-CD2 4Å |
| 93 | Q | 97.5 | Very high | 96.4 | Very high | 107 Ų | 107 | 55.4 Ų | 55.4 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.9 | -35.9 | -176.3 | -67.4 | 171.4 | -16.7 | 0 | 0 | 113.4 | T50 L89 Y90 G95 | T50-Q93 HydrophobicContact CG2-CG 3.98Å; L89-Q93 WeakPolarHBondContact O-CG 3.38Å; L89-Q93 PolarHBondContact O-N 3.35Å; L89-Q93 VanDerWaalsContact O-N 3.14Å; Y90-Q93 PolarHBondContact O-N 3.12Å; Q93-G95 VanDerWaalsContact C-N 3.34Å |
| 94 | S | 97.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -85.7 | -8.6 | -179.9 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | Y90 Y91 Y92 R97 | Y90-S94 VanDerWaalsContact O-CB 3.24Å; Y90-S94 WeakPolarHBondContact O-CB 3.11Å; Y90-S94 PolarHBondContact O-N 2.91Å; Y90-S94 PolarHBondContact O-OG 2.69Å; Y91-S94 PolarHBondContact O-OG 3.34Å; Y92-S94 VanDerWaalsContact C-N 3.34Å; Y92-S94 PolarHBondContact O-N 3.16Å; S94-R97 VanDerWaalsContact OG-CB 3.3Å; S94-R97 WeakPolarHBondContact OG-CB 3.45Å; S94-R97 PolarHBondContact OG-N 3.27Å |
| 95 | G | 96 | Very high | 96.1 | Very high | 35 Ų | 35 | 56.2 Ų | 56.2 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 31.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q53 Y91 Y92 Q93 | Q53-G95 VanDerWaalsContact NE2-CA 3.3Å; Y91-G95 PolarHBondContact O-N 3.14Å; Y92-G95 PolarHBondContact O-N 2.99Å; Q93-G95 VanDerWaalsContact C-N 3.34Å |
| 96 | G | 95.5 | Very high | 95.7 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 132.5 | 0.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y91 L98 | Y91-G96 VanDerWaalsContact CD2-C 3.43Å; Y91-G96 WeakPolarHBondContact CD2-O 3.38Å; Y91-G96 VanDerWaalsContact CE2-CA 3.45Å; Y91-G96 WeakPolarHBondContact CE2-O 3.21Å; Y91-G96 PolarHBondContact O-N 2.97Å; G96-L98 PolarHBondContact O-N 2.83Å |
| 97 | R | 95.4 | Very high | 95.3 | Very high | 170 Ų | 170 | 57.1 Ų | 57.1 | 64% | 0.642 | 29% | 0.291 | S | S | * | . | trans | -80 | 114.6 | 180 | -58.1 | -177.4 | -179.3 | -172.6 | -1.8 | 110.6 | Y90 Y91 S94 | Y90-R97 HydrophobicContact CE1-CB 4.17Å; Y91-R97 WeakPolarHBondContact CA-O 3.41Å; S94-R97 VanDerWaalsContact OG-CB 3.3Å; S94-R97 WeakPolarHBondContact OG-CB 3.45Å; S94-R97 PolarHBondContact OG-N 3.27Å | ||
| 98 | L | 96.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | trans | -112.6 | 113.3 | 179 | -169.2 | 57.5 | 0 | 0 | 0 | 110.2 | Y91 G96 F109 I113 L118 A122 F126 | Y91-L98 HydrophobicContact CD2-CB 3.96Å; Y91-L98 HydrophobicContact CD2-CD1 4.47Å; G96-L98 PolarHBondContact O-N 2.83Å; L98-F109 HydrophobicContact CD1-CE1 4.08Å; L98-F109 HydrophobicContact CD1-CZ 3.76Å; L98-F109 HydrophobicContact CG-CE1 4.26Å; L98-F109 HydrophobicContact CG-CZ 4.44Å; L98-I113 HydrophobicContact CD1-CG1 4.47Å; L98-I113 HydrophobicContact CD2-CD1 3.72Å; L98-I113 HydrophobicContact CD2-CG1 3.94Å; L98-I113 HydrophobicContact CD2-CG2 4.14Å; L98-I113 HydrophobicContact CG-CD1 4.32Å; L98-L118 HydrophobicContact CD1-CD1 3.92Å; L98-L118 HydrophobicContact CD2-CD1 4.02Å; L98-A122 HydrophobicContact CD2-CB 4.2Å; L98-F126 HydrophobicContact CD2-CB 4.08Å | ||
| 99 | R | 94.1 | Very high | 95.1 | Very high | 167 Ų | 167 | 59 Ų | 59 | 63% | 0.63 | 30% | 0.3 | S | S | * | . | trans | -131.8 | 126.3 | 178 | -71 | -65.6 | 178.8 | 116.2 | -11.6 | 109.9 | A87 D129 | A87-R99 WeakPolarHBondContact CB-O 3.46Å; R99-D129 IonicContact CZ-OD2 3.84Å; R99-D129 IonicContact NE-OD2 3.9Å; R99-D129 PolarHBondContact NE-OD2 3.13Å; R99-D129 IonicContact NH2-OD1 2.91Å; R99-D129 IonicContact NH2-OD2 2.71Å; R99-D129 PolarHBondContact NH2-OD2 3.46Å | ||
| 100 | R | 94.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 17% | 0.17 | 31% | 0.307 | C | S | . | . | trans | -66.6 | 132.1 | 178.6 | -179.2 | 172.2 | 58.3 | 78.1 | 3.8 | 110.8 | V102 V104 F109 F126 E130 | R100-V102 PolarHBondContact O-N 3.23Å; R100-V104 WeakPolarHBondContact CD-O 3.33Å; R100-V104 HydrophobicContact CG-CB 4.49Å; R100-V104 PolarHBondContact NH1-O 3.11Å; R100-F109 HydrophobicContact CB-CD1 3.5Å; R100-F109 HydrophobicContact CB-CE1 3.81Å; R100-F109 HydrophobicContact CB-CG 4.04Å; R100-F109 HydrophobicContact CG-CB 3.74Å; R100-F109 HydrophobicContact CG-CD1 3.67Å; R100-F109 HydrophobicContact CG-CD2 4.42Å; R100-F109 HydrophobicContact CG-CE1 4.38Å; R100-F109 HydrophobicContact CG-CG 3.69Å; R100-F126 HydrophobicContact CB-CE2 3.89Å; R100-E130 VanDerWaalsContact CB-OE1 3.3Å; R100-E130 WeakPolarHBondContact CB-OE1 3.14Å; R100-E130 IonicContact CZ-OE1 2.78Å; R100-E130 IonicContact CZ-OE2 3.04Å; R100-E130 IonicContact NE-OE1 2.69Å; R100-E130 PolarHBondContact NE-OE1 3.03Å; R100-E130 IonicContact NE-OE2 3.28Å; R100-E130 IonicContact NH2-OE1 3.24Å; R100-E130 PolarHBondContact NH2-OE1 3.28Å; R100-E130 IonicContact NH2-OE2 2.79Å; R100-E130 PolarHBondContact NH2-OE2 3.17Å | ||
| 101 | P | 95.4 | Very high | 94.8 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 16% | 0.156 | 31% | 0.308 | C | S | . | . | trans | -61.3 | 134.5 | 170 | -21.3 | 33 | 0 | 0 | 0 | 110.8 | P83 A87 N103 V104 | P83-P101 WeakPolarHBondContact O-CG 3.43Å; A87-P101 HydrophobicContact CB-CG 3.88Å; P101-N103 VanDerWaalsContact CB-OD1 3.26Å; P101-N103 WeakPolarHBondContact CB-OD1 3.5Å; P101-N103 PolarHBondContact O-N 3.01Å; P101-V104 HydrophobicContact CB-CB 4.33Å; P101-V104 HydrophobicContact CB-CG2 3.86Å; P101-V104 HydrophobicContact CG-CG2 4.12Å; P101-V104 PolarHBondContact O-N 3.36Å | ||
| 102 | V | 91.6 | Very high | 94.8 | Very high | 143 Ų | 143 | 59 Ų | 59 | 87% | 0.867 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.7 | -174.8 | -63.8 | 0 | 0 | 0 | 0 | 113.9 | R100 | R100-V102 PolarHBondContact O-N 3.23Š|
| 103 | N | 92.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 59.1 Ų | 59.1 | 61% | 0.61 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.4 | 178.4 | 62 | -42.9 | 0 | 0 | 0 | 113.7 | P101 | P101-N103 VanDerWaalsContact CB-OD1 3.26Å; P101-N103 WeakPolarHBondContact CB-OD1 3.5Å; P101-N103 PolarHBondContact O-N 3.01Å |
| 104 | V | 94.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -110.6 | 125.2 | 179.2 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | P83 S84 R100 P101 I108 F109 | P83-V104 HydrophobicContact CB-CG2 3.57Å; S84-V104 WeakPolarHBondContact OG-CG1 3.46Å; R100-V104 WeakPolarHBondContact CD-O 3.33Å; R100-V104 HydrophobicContact CG-CB 4.49Å; R100-V104 PolarHBondContact NH1-O 3.11Å; P101-V104 HydrophobicContact CB-CB 4.33Å; P101-V104 HydrophobicContact CB-CG2 3.86Å; P101-V104 HydrophobicContact CG-CG2 4.12Å; P101-V104 PolarHBondContact O-N 3.36Å; V104-I108 HydrophobicContact CG1-CB 4.24Å; V104-I108 HydrophobicContact CG1-CG2 4.09Å; V104-F109 HydrophobicContact CG1-CB 3.84Å; V104-F109 HydrophobicContact CG1-CD2 4.41Å |
| 105 | P | 93.4 | Very high | 94.9 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | trans | -56.8 | 148.1 | 172.2 | -26 | 36.1 | 0 | 0 | 0 | 112.6 | D107 I108 F109 | P105-D107 WeakPolarHBondContact CB-OD1 3.34Å; P105-D107 PolarHBondContact O-N 3.1Å; P105-I108 HydrophobicContact CB-CB 4.32Å; P105-I108 HydrophobicContact CB-CG1 3.99Å; P105-I108 HydrophobicContact CG-CG1 4.19Å; P105-I108 PolarHBondContact O-N 2.97Å; P105-F109 PolarHBondContact O-N 2.67Å | ||
| 106 | L | 89.8 | Confident | 95 | Very high | 24 Ų | 24 | 60.1 Ų | 60.1 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | -175.9 | -178.2 | 90.9 | 0 | 0 | 0 | 112.6 | F109 S110 F126 E130 Y132 | L106-F109 PolarHBondContact O-N 3.3Å; L106-S110 WeakPolarHBondContact O-CB 3.45Å; L106-S110 PolarHBondContact O-N 2.71Å; L106-F126 HydrophobicContact CD1-CE1 4.18Å; L106-F126 HydrophobicContact CD1-CE2 4.31Å; L106-F126 HydrophobicContact CD1-CZ 3.53Å; L106-F126 HydrophobicContact CG-CZ 4.35Å; L106-E130 HydrophobicContact CD1-CB 4.07Å; L106-E130 HydrophobicContact CD1-CG 3.66Å; L106-Y132 HydrophobicContact CD1-CE2 4.19Å; L106-Y132 HydrophobicContact CD2-CE2 3.41Å; L106-Y132 VanDerWaalsContact CD2-CE2 3.41Å; L106-Y132 VanDerWaalsContact CD2-CZ 3.49Å; L106-Y132 WeakPolarHBondContact CD2-OH 3.45Å; L106-Y132 HydrophobicContact CG-CE2 4.42Å |
| 107 | D | 90 | Very high | 95.1 | Very high | 92 Ų | 92 | 63.2 Ų | 63.2 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.1 | -50 | 178.1 | 58.3 | -31.4 | 0 | 0 | 0 | 111 | P105 F109 S110 E111 | P105-D107 WeakPolarHBondContact CB-OD1 3.34Å; P105-D107 PolarHBondContact O-N 3.1Å; D107-F109 PolarHBondContact O-N 3.19Å; D107-S110 PolarHBondContact O-N 3.21Å; D107-S110 PolarHBondContact O-OG 2.74Å; D107-E111 WeakPolarHBondContact O-CG 3.43Å; D107-E111 PolarHBondContact O-N 2.8Å |
| 108 | I | 94.1 | Very high | 95.2 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 176.9 | -59.4 | -60.7 | 0 | 0 | 0 | 111.2 | N81 V104 P105 S110 E111 E112 | N81-I108 HydrophobicContact CB-CG2 4.21Å; V104-I108 HydrophobicContact CG1-CB 4.24Å; V104-I108 HydrophobicContact CG1-CG2 4.09Å; P105-I108 HydrophobicContact CB-CB 4.32Å; P105-I108 HydrophobicContact CB-CG1 3.99Å; P105-I108 HydrophobicContact CG-CG1 4.19Å; P105-I108 PolarHBondContact O-N 2.97Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 3.37Å; I108-E111 PolarHBondContact O-N 3.47Å; I108-E112 WeakPolarHBondContact O-CG 3.3Å; I108-E112 PolarHBondContact O-N 3.28Å; I108-E112 VanDerWaalsContact O-N 3.15Å |
| 109 | F | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 179.5 | -167.1 | -117.1 | 0 | 0 | 0 | 112 | A87 I88 L98 R100 V104 P105 L106 D107 E111 E112 I113 F126 | A87-F109 HydrophobicContact CB-CE2 3.69Å; A87-F109 HydrophobicContact CB-CZ 3.57Å; I88-F109 HydrophobicContact CD1-CE2 4.23Å; I88-F109 HydrophobicContact CD1-CZ 4.41Å; I88-F109 HydrophobicContact CG1-CE2 4.47Å; L98-F109 HydrophobicContact CD1-CE1 4.08Å; L98-F109 HydrophobicContact CD1-CZ 3.76Å; L98-F109 HydrophobicContact CG-CE1 4.26Å; L98-F109 HydrophobicContact CG-CZ 4.44Å; R100-F109 HydrophobicContact CB-CD1 3.5Å; R100-F109 HydrophobicContact CB-CE1 3.81Å; R100-F109 HydrophobicContact CB-CG 4.04Å; R100-F109 HydrophobicContact CG-CB 3.74Å; R100-F109 HydrophobicContact CG-CD1 3.67Å; R100-F109 HydrophobicContact CG-CD2 4.42Å; R100-F109 HydrophobicContact CG-CE1 4.38Å; R100-F109 HydrophobicContact CG-CG 3.69Å; V104-F109 HydrophobicContact CG1-CB 3.84Å; V104-F109 HydrophobicContact CG1-CD2 4.41Å; P105-F109 PolarHBondContact O-N 2.67Å; L106-F109 PolarHBondContact O-N 3.3Å; D107-F109 PolarHBondContact O-N 3.19Å; F109-E111 VanDerWaalsContact C-N 3.29Å; F109-E111 PolarHBondContact O-N 2.96Å; F109-E112 PolarHBondContact O-N 2.95Å; F109-E112 VanDerWaalsContact O-N 3.13Å; F109-I113 HydrophobicContact CD1-CD1 3.67Å; F109-I113 HydrophobicContact CD1-CG1 4.22Å; F109-I113 HydrophobicContact CE1-CD1 3.62Å; F109-I113 HydrophobicContact CE1-CG1 4.03Å; F109-I113 HydrophobicContact CZ-CD1 4.4Å; F109-I113 HydrophobicContact CZ-CG1 4.34Å; F109-I113 WeakPolarHBondContact O-CG1 3.32Å; F109-I113 PolarHBondContact O-N 2.9Å; F109-F126 HydrophobicContact CD1-CD2 4.25Å; F109-F126 AromaticContact CD1-CE2 3.61Å; F109-F126 HydrophobicContact CD1-CE2 3.61Å; F109-F126 AromaticContact CD1-CZ 3.74Å; F109-F126 HydrophobicContact CD1-CZ 3.74Å; F109-F126 HydrophobicContact CE1-CD2 4.19Å; F109-F126 AromaticContact CE1-CE2 3.97Å; F109-F126 HydrophobicContact CE1-CE2 3.97Å; F109-F126 HydrophobicContact CE1-CZ 4.48Å |
| 110 | S | 94.5 | Very high | 95 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 176.4 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | L106 D107 I108 R114 | L106-S110 WeakPolarHBondContact O-CB 3.45Å; L106-S110 PolarHBondContact O-N 2.71Å; D107-S110 PolarHBondContact O-N 3.21Å; D107-S110 PolarHBondContact O-OG 2.74Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 3.37Å; S110-R114 WeakPolarHBondContact O-CG 3.48Å; S110-R114 PolarHBondContact O-N 2.71Å; S110-R114 VanDerWaalsContact O-N 3.12Å |
| 111 | E | 96.4 | Very high | 94.9 | Very high | 101 Ų | 101 | 60.7 Ų | 60.7 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 173.2 | -72.4 | -178.4 | 177.5 | 0 | 0 | 112 | D107 I108 F109 R114 F115 | D107-E111 WeakPolarHBondContact O-CG 3.43Å; D107-E111 PolarHBondContact O-N 2.8Å; I108-E111 PolarHBondContact O-N 3.47Å; F109-E111 VanDerWaalsContact C-N 3.29Å; F109-E111 PolarHBondContact O-N 2.96Å; E111-R114 PolarHBondContact O-N 2.85Å; E111-F115 WeakPolarHBondContact O-CB 3.34Å; E111-F115 PolarHBondContact O-N 3.24Å |
| 112 | E | 98.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 175.4 | -62.8 | -58.5 | 124.8 | 0 | 0 | 111.8 | R80 N81 I88 I108 F109 R114 F115 Y116 | R80-E112 IonicContact CZ-OE1 3.39Å; R80-E112 VanDerWaalsContact CZ-OE1 3.24Å; R80-E112 IonicContact CZ-OE2 2.99Å; R80-E112 VanDerWaalsContact NE-CD 3.31Å; R80-E112 IonicContact NE-OE1 3.47Å; R80-E112 PolarHBondContact NE-OE1 2.99Å; R80-E112 IonicContact NE-OE2 3.8Å; R80-E112 PolarHBondContact NE-OE2 3.11Å; R80-E112 IonicContact NH2-OE1 3.97Å; R80-E112 PolarHBondContact NH2-OE1 3.49Å; R80-E112 IonicContact NH2-OE2 2.6Å; N81-E112 HydrophobicContact CB-CG 4.18Å; I88-E112 HydrophobicContact CD1-CB 4.5Å; I108-E112 WeakPolarHBondContact O-CG 3.3Å; I108-E112 PolarHBondContact O-N 3.28Å; I108-E112 VanDerWaalsContact O-N 3.15Å; F109-E112 PolarHBondContact O-N 2.95Å; F109-E112 VanDerWaalsContact O-N 3.13Å; E112-R114 VanDerWaalsContact C-N 3.26Å; E112-R114 PolarHBondContact O-N 3.27Å; E112-F115 PolarHBondContact O-N 3.33Å; E112-F115 VanDerWaalsContact O-N 3.16Å; E112-Y116 HydrophobicContact CB-CD2 4.43Å; E112-Y116 VanDerWaalsContact O-CD2 3.23Å; E112-Y116 WeakPolarHBondContact O-CD2 3.1Å; E112-Y116 PolarHBondContact O-N 2.73Å; E112-Y116 WeakPolarHBondContact OE2-CE2 3.32Å |
| 113 | I | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 174.9 | -62.5 | 165.5 | 0 | 0 | 0 | 110.5 | I88 L98 F109 E117 L118 M123 F126 | I88-I113 HydrophobicContact CD1-CG1 4.21Å; L98-I113 HydrophobicContact CD1-CG1 4.47Å; L98-I113 HydrophobicContact CD2-CD1 3.72Å; L98-I113 HydrophobicContact CD2-CG1 3.94Å; L98-I113 HydrophobicContact CD2-CG2 4.14Å; L98-I113 HydrophobicContact CG-CD1 4.32Å; F109-I113 HydrophobicContact CD1-CD1 3.67Å; F109-I113 HydrophobicContact CD1-CG1 4.22Å; F109-I113 HydrophobicContact CE1-CD1 3.62Å; F109-I113 HydrophobicContact CE1-CG1 4.03Å; F109-I113 HydrophobicContact CZ-CD1 4.4Å; F109-I113 HydrophobicContact CZ-CG1 4.34Å; F109-I113 WeakPolarHBondContact O-CG1 3.32Å; F109-I113 PolarHBondContact O-N 2.9Å; I113-E117 PolarHBondContact O-N 2.8Å; I113-L118 HydrophobicContact CG2-CB 4Å; I113-L118 HydrophobicContact CG2-CD1 4.18Å; I113-L118 HydrophobicContact CG2-CG 4.28Å; I113-L118 PolarHBondContact O-N 3.32Å; I113-M123 HydrophobicContact CB-CE 3.73Å; I113-M123 HydrophobicContact CG2-CE 3.51Å; I113-F126 HydrophobicContact CD1-CB 4.2Å; I113-F126 HydrophobicContact CD1-CD1 3.49Å; I113-F126 VanDerWaalsContact CD1-CD1 3.49Å; I113-F126 HydrophobicContact CD1-CD2 4.09Å; I113-F126 HydrophobicContact CD1-CE1 3.81Å; I113-F126 HydrophobicContact CD1-CE2 4.38Å; I113-F126 HydrophobicContact CD1-CG 3.63Å; I113-F126 HydrophobicContact CD1-CZ 4.23Å |
| 114 | R | 97.5 | Very high | 94.6 | Very high | 156 Ų | 156 | 51.5 Ų | 51.5 | 59% | 0.589 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 175.4 | -73.9 | 176.6 | 176.1 | 173.4 | -0.2 | 112.1 | S110 E111 E112 E117 M123 | S110-R114 WeakPolarHBondContact O-CG 3.48Å; S110-R114 PolarHBondContact O-N 2.71Å; S110-R114 VanDerWaalsContact O-N 3.12Å; E111-R114 PolarHBondContact O-N 2.85Å; E112-R114 VanDerWaalsContact C-N 3.26Å; E112-R114 PolarHBondContact O-N 3.27Å; R114-E117 PolarHBondContact O-N 3.26Å; R114-E117 VanDerWaalsContact O-N 3.11Å; R114-M123 HydrophobicContact CG-CE 3.66Å |
| 115 | F | 98.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | -178.9 | 172.6 | -94.2 | 0 | 0 | 0 | 112.4 | L58 Y68 F78 R80 E111 E112 E117 | L58-F115 HydrophobicContact CD1-CE1 4.02Å; L58-F115 HydrophobicContact CD1-CZ 4.03Å; L58-F115 WeakPolarHBondContact CD1-O 3.45Å; Y68-F115 HydrophobicContact CE1-CZ 4.12Å; Y68-F115 AromaticContact CZ-CZ 3.91Å; F78-F115 AromaticContact CD1-CE1 3.62Å; F78-F115 HydrophobicContact CD1-CE1 3.62Å; F78-F115 AromaticContact CD1-CZ 3.77Å; F78-F115 HydrophobicContact CD1-CZ 3.77Å; F78-F115 AromaticContact CE1-CE1 3.85Å; F78-F115 HydrophobicContact CE1-CE1 3.85Å; F78-F115 HydrophobicContact CE1-CZ 4.01Å; R80-F115 HydrophobicContact CG-CE1 4.41Å; R80-F115 VanDerWaalsContact NH1-CG 3.29Å; E111-F115 WeakPolarHBondContact O-CB 3.34Å; E111-F115 PolarHBondContact O-N 3.24Å; E112-F115 PolarHBondContact O-N 3.33Å; E112-F115 VanDerWaalsContact O-N 3.16Å; F115-E117 PolarHBondContact O-N 3.42Å |
| 116 | Y | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 0.6 | 177.2 | -71.3 | -69.3 | 0 | 0 | 0 | 113.2 | I39 L58 L59 F78 F85 I88 E112 L118 | I39-Y116 WeakPolarHBondContact CD1-OH 3.01Å; L58-Y116 WeakPolarHBondContact CB-O 3.34Å; L58-Y116 HydrophobicContact CD2-CD1 4.5Å; L58-Y116 PolarHBondContact N-O 3.06Å; L59-Y116 HydrophobicContact CD1-CD1 4.01Å; L59-Y116 HydrophobicContact CD1-CE1 4.24Å; L59-Y116 HydrophobicContact CD2-CD1 4.46Å; L59-Y116 HydrophobicContact CD2-CE1 4.41Å; L59-Y116 HydrophobicContact CG-CD1 4.01Å; L59-Y116 HydrophobicContact CG-CE1 4.37Å; F78-Y116 HydrophobicContact CD1-CE1 4.24Å; F78-Y116 HydrophobicContact CE1-CE1 4.18Å; F78-Y116 HydrophobicContact CG-CE1 4.48Å; F78-Y116 HydrophobicContact CZ-CE1 4.38Å; F85-Y116 HydrophobicContact CD2-CE1 4.16Å; F85-Y116 AromaticContact CD2-CE2 3.84Å; F85-Y116 HydrophobicContact CD2-CE2 3.84Å; F85-Y116 AromaticContact CD2-CZ 3.52Å; F85-Y116 VanDerWaalsContact CD2-OH 3.31Å; F85-Y116 WeakPolarHBondContact CD2-OH 3.43Å; F85-Y116 HydrophobicContact CE2-CD1 4.43Å; F85-Y116 AromaticContact CE2-CE1 3.69Å; F85-Y116 HydrophobicContact CE2-CE1 3.69Å; F85-Y116 HydrophobicContact CE2-CE2 4.18Å; F85-Y116 AromaticContact CE2-CZ 3.55Å; I88-Y116 HydrophobicContact CB-CD2 4.35Å; I88-Y116 HydrophobicContact CD1-CD2 4.15Å; I88-Y116 HydrophobicContact CG1-CD2 3.87Å; I88-Y116 HydrophobicContact CG1-CE2 4.22Å; I88-Y116 HydrophobicContact CG2-CD1 4.37Å; I88-Y116 HydrophobicContact CG2-CD2 3.74Å; I88-Y116 HydrophobicContact CG2-CE2 4.3Å; I88-Y116 HydrophobicContact CG2-CG 3.79Å; E112-Y116 HydrophobicContact CB-CD2 4.43Å; E112-Y116 VanDerWaalsContact O-CD2 3.23Å; E112-Y116 WeakPolarHBondContact O-CD2 3.1Å; E112-Y116 PolarHBondContact O-N 2.73Å; E112-Y116 WeakPolarHBondContact OE2-CE2 3.32Å; Y116-L118 VanDerWaalsContact C-N 3.32Å; Y116-L118 PolarHBondContact O-N 3.15Å |
| 117 | E | 98.2 | Very high | 94.1 | Very high | 84 Ų | 84 | 56.6 Ų | 56.6 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 45 | 175.6 | -57.9 | 175.6 | -152.1 | 0 | 0 | 111.9 | T57 L58 K64 I113 R114 F115 G119 | T57-E117 WeakPolarHBondContact CA-O 3.25Å; T57-E117 WeakPolarHBondContact CG2-O 2.89Å; L58-E117 HydrophobicContact CB-CB 4.43Å; L58-E117 HydrophobicContact CB-CG 4.43Å; K64-E117 WeakPolarHBondContact CD-OE2 3.31Å; K64-E117 WeakPolarHBondContact CE-OE2 3.43Å; K64-E117 IonicContact NZ-OE2 2.63Å; K64-E117 PolarHBondContact NZ-OE2 2.81Å; I113-E117 PolarHBondContact O-N 2.8Å; R114-E117 PolarHBondContact O-N 3.26Å; R114-E117 VanDerWaalsContact O-N 3.11Å; F115-E117 PolarHBondContact O-N 3.42Å; E117-G119 PolarHBondContact O-N 3.42Å |
| 118 | L | 97.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | trans | -65.4 | -10.6 | -178.3 | -60.5 | -168.4 | 0 | 0 | 0 | 113.9 | T57 I88 Y91 Y92 L98 I113 Y116 A122 | T57-L118 HydrophobicContact CG2-CD2 4.21Å; I88-L118 HydrophobicContact CD1-CD1 3.81Å; Y91-L118 HydrophobicContact CD1-CD1 4.06Å; Y91-L118 HydrophobicContact CD1-CD2 3.93Å; Y91-L118 HydrophobicContact CE1-CB 4.49Å; Y91-L118 HydrophobicContact CE1-CD1 4.44Å; Y91-L118 HydrophobicContact CE1-CD2 4.04Å; Y91-L118 HydrophobicContact CG-CD1 4.12Å; Y92-L118 HydrophobicContact CE2-CD2 4Å; L98-L118 HydrophobicContact CD1-CD1 3.92Å; L98-L118 HydrophobicContact CD2-CD1 4.02Å; I113-L118 HydrophobicContact CG2-CB 4Å; I113-L118 HydrophobicContact CG2-CD1 4.18Å; I113-L118 HydrophobicContact CG2-CG 4.28Å; I113-L118 PolarHBondContact O-N 3.32Å; Y116-L118 VanDerWaalsContact C-N 3.32Å; Y116-L118 PolarHBondContact O-N 3.15Å; L118-A122 HydrophobicContact CB-CB 3.94Å | ||
| 119 | G | 94.4 | Very high | 93.4 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 42% | 0.423 | 29% | 0.29 | S | S | . | . | trans | 99.2 | 161.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E117 E121 M123 | E117-G119 PolarHBondContact O-N 3.42Å; G119-E121 VanDerWaalsContact C-N 3.34Å; G119-M123 PolarHBondContact O-N 2.88Å | ||
| 120 | E | 91.9 | Very high | 92.9 | Very high | 142 Ų | 142 | 62.9 Ų | 62.9 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.2 | -36.1 | 178.8 | -69.6 | -64 | 161.1 | 0 | 0 | 111.7 | A122 M123 E124 | E120-A122 PolarHBondContact O-N 2.99Å; E120-M123 CarbonylContact O-C 3.44Å; E120-M123 WeakPolarHBondContact O-CB 3.24Å; E120-M123 PolarHBondContact O-N 3.37Å; E120-M123 VanDerWaalsContact O-N 3.16Å; E120-E124 WeakPolarHBondContact O-CB 3.41Å; E120-E124 WeakPolarHBondContact O-CG 3.29Å; E120-E124 PolarHBondContact O-N 3.42Å |
| 121 | E | 91.1 | Very high | 92.2 | Very high | 148 Ų | 148 | 64 Ų | 64 | 69% | 0.692 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61 | -45.4 | 177.9 | -171.3 | -179.3 | -177.3 | 0 | 0 | 111.9 | G119 M123 E124 M125 | G119-E121 VanDerWaalsContact C-N 3.34Å; E121-M123 VanDerWaalsContact C-N 3.32Å; E121-M123 PolarHBondContact O-N 2.82Å; E121-E124 PolarHBondContact O-N 3.22Å; E121-M125 HydrophobicContact CG-CE 4.3Å; E121-M125 WeakPolarHBondContact O-CG 3.41Å; E121-M125 PolarHBondContact O-N 3.41Å |
| 122 | A | 93 | Very high | 91.2 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y91 L98 L118 E120 F126 | Y91-A122 HydrophobicContact CE2-CB 3.98Å; L98-A122 HydrophobicContact CD2-CB 4.2Å; L118-A122 HydrophobicContact CB-CB 3.94Å; E120-A122 PolarHBondContact O-N 2.99Å; A122-F126 VanDerWaalsContact O-CB 3.25Å; A122-F126 WeakPolarHBondContact O-CB 3.41Å; A122-F126 PolarHBondContact O-N 3.27Å |
| 123 | M | 92.1 | Very high | 89.8 | Confident | 8 Ų | 8 | 70.4 Ų | 70.4 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67 | -40.1 | 175 | -179.8 | 61.7 | 64.4 | 0 | 0 | 112.1 | I113 R114 G119 E120 E121 F126 R127 | I113-M123 HydrophobicContact CB-CE 3.73Å; I113-M123 HydrophobicContact CG2-CE 3.51Å; R114-M123 HydrophobicContact CG-CE 3.66Å; G119-M123 PolarHBondContact O-N 2.88Å; E120-M123 CarbonylContact O-C 3.44Å; E120-M123 WeakPolarHBondContact O-CB 3.24Å; E120-M123 PolarHBondContact O-N 3.37Å; E120-M123 VanDerWaalsContact O-N 3.16Å; E121-M123 VanDerWaalsContact C-N 3.32Å; E121-M123 PolarHBondContact O-N 2.82Å; M123-F126 HydrophobicContact SD-CD1 4.11Å; M123-R127 VanDerWaalsContact O-CG 3.28Å; M123-R127 WeakPolarHBondContact O-CG 3.45Å; M123-R127 PolarHBondContact O-N 2.88Å |
| 124 | E | 89.4 | Confident | 88.1 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.8 | -49.1 | 177.2 | -74.8 | -171.7 | 149.6 | 0 | 0 | 111 | E120 E121 F126 R127 E128 K134 | E120-E124 WeakPolarHBondContact O-CB 3.41Å; E120-E124 WeakPolarHBondContact O-CG 3.29Å; E120-E124 PolarHBondContact O-N 3.42Å; E121-E124 PolarHBondContact O-N 3.22Å; E124-F126 VanDerWaalsContact C-N 3.28Å; E124-F126 PolarHBondContact O-N 3.29Å; E124-R127 WeakPolarHBondContact O-CB 3.39Å; E124-R127 PolarHBondContact O-N 2.68Å; E124-E128 WeakPolarHBondContact O-CG 3.46Å; E124-E128 PolarHBondContact O-N 3.18Å; E124-K134 IonicContact OE1-NZ 3.61Å; E124-K134 PolarHBondContact OE1-NZ 3.42Å |
| 125 | M | 87.7 | Confident | 86.4 | Confident | 83 Ų | 83 | 76 Ų | 76 | 41% | 0.409 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.7 | -41.3 | 174.9 | -71 | -171.4 | -67.6 | 0 | 0 | 112.1 | E121 E128 D129 | E121-M125 HydrophobicContact CG-CE 4.3Å; E121-M125 WeakPolarHBondContact O-CG 3.41Å; E121-M125 PolarHBondContact O-N 3.41Å; M125-E128 PolarHBondContact O-N 2.72Å; M125-D129 WeakPolarHBondContact O-CB 3.42Å; M125-D129 PolarHBondContact O-N 2.87Å |
| 126 | F | 90.3 | Very high | 84.6 | Confident | 7 Ų | 7 | 82.6 Ų | 82.6 | 3% | 0.031 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.3 | 166.3 | -111.8 | 0 | 0 | 0 | 112.4 | L98 R100 L106 F109 I113 A122 M123 E124 E130 | L98-F126 HydrophobicContact CD2-CB 4.08Å; R100-F126 HydrophobicContact CB-CE2 3.89Å; L106-F126 HydrophobicContact CD1-CE1 4.18Å; L106-F126 HydrophobicContact CD1-CE2 4.31Å; L106-F126 HydrophobicContact CD1-CZ 3.53Å; L106-F126 HydrophobicContact CG-CZ 4.35Å; F109-F126 HydrophobicContact CD1-CD2 4.25Å; F109-F126 AromaticContact CD1-CE2 3.61Å; F109-F126 HydrophobicContact CD1-CE2 3.61Å; F109-F126 AromaticContact CD1-CZ 3.74Å; F109-F126 HydrophobicContact CD1-CZ 3.74Å; F109-F126 HydrophobicContact CE1-CD2 4.19Å; F109-F126 AromaticContact CE1-CE2 3.97Å; F109-F126 HydrophobicContact CE1-CE2 3.97Å; F109-F126 HydrophobicContact CE1-CZ 4.48Å; I113-F126 HydrophobicContact CD1-CB 4.2Å; I113-F126 HydrophobicContact CD1-CD1 3.49Å; I113-F126 VanDerWaalsContact CD1-CD1 3.49Å; I113-F126 HydrophobicContact CD1-CD2 4.09Å; I113-F126 HydrophobicContact CD1-CE1 3.81Å; I113-F126 HydrophobicContact CD1-CE2 4.38Å; I113-F126 HydrophobicContact CD1-CG 3.63Å; I113-F126 HydrophobicContact CD1-CZ 4.23Å; A122-F126 VanDerWaalsContact O-CB 3.25Å; A122-F126 WeakPolarHBondContact O-CB 3.41Å; A122-F126 PolarHBondContact O-N 3.27Å; M123-F126 HydrophobicContact SD-CD1 4.11Å; E124-F126 VanDerWaalsContact C-N 3.28Å; E124-F126 PolarHBondContact O-N 3.29Å; F126-E130 HydrophobicContact CD2-CG 3.95Å; F126-E130 HydrophobicContact CE2-CG 3.44Å; F126-E130 VanDerWaalsContact CE2-CG 3.44Å; F126-E130 WeakPolarHBondContact CE2-OE1 3.34Å; F126-E130 HydrophobicContact CZ-CG 3.87Å; F126-E130 VanDerWaalsContact O-CG 3.31Å; F126-E130 WeakPolarHBondContact O-CG 3.39Å; F126-E130 PolarHBondContact O-N 3.06Å; F126-E130 VanDerWaalsContact O-N 3.1Å |
| 127 | R | 87.8 | Confident | 82.9 | Confident | 111 Ų | 111 | 91.4 Ų | 91.4 | 42% | 0.419 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 177.2 | -77.9 | 176.7 | -172.8 | -159.6 | 12 | 111.6 | M123 E124 E130 G131 Y132 | M123-R127 VanDerWaalsContact O-CG 3.28Å; M123-R127 WeakPolarHBondContact O-CG 3.45Å; M123-R127 PolarHBondContact O-N 2.88Å; E124-R127 WeakPolarHBondContact O-CB 3.39Å; E124-R127 PolarHBondContact O-N 2.68Å; R127-E130 PolarHBondContact O-N 3.16Å; R127-G131 PolarHBondContact O-N 3.29Å; R127-Y132 WeakPolarHBondContact O-CB 3.44Å; R127-Y132 PolarHBondContact O-N 3.28Å |
| 128 | E | 85.2 | Confident | 81.6 | Confident | 129 Ų | 129 | 93 Ų | 93 | 60% | 0.603 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.7 | -45.9 | 178.1 | -70.4 | 179.3 | 178.6 | 0 | 0 | 111.6 | E124 M125 E130 G131 | E124-E128 WeakPolarHBondContact O-CG 3.46Å; E124-E128 PolarHBondContact O-N 3.18Å; M125-E128 PolarHBondContact O-N 2.72Å; E128-E130 VanDerWaalsContact C-N 3.29Å; E128-E130 PolarHBondContact O-N 3.15Å; E128-G131 PolarHBondContact O-N 3.11Å |
| 129 | D | 85.1 | Confident | 80.5 | Confident | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -30.5 | 178.2 | -100 | 11.9 | 0 | 0 | 0 | 112.9 | R99 M125 G131 | R99-D129 IonicContact CZ-OD2 3.84Å; R99-D129 IonicContact NE-OD2 3.9Å; R99-D129 PolarHBondContact NE-OD2 3.13Å; R99-D129 IonicContact NH2-OD1 2.91Å; R99-D129 IonicContact NH2-OD2 2.71Å; R99-D129 PolarHBondContact NH2-OD2 3.46Å; M125-D129 WeakPolarHBondContact O-CB 3.42Å; M125-D129 PolarHBondContact O-N 2.87Å; D129-G131 VanDerWaalsContact C-N 3.26Å |
| 130 | E | 85.4 | Confident | 79.9 | Confident | 47 Ų | 47 | 98.3 Ų | 98.3 | 22% | 0.22 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -0.6 | 174.3 | -67.2 | -77.9 | 174.5 | 0 | 0 | 113 | R100 L106 F126 R127 E128 Y132 | R100-E130 VanDerWaalsContact CB-OE1 3.3Å; R100-E130 WeakPolarHBondContact CB-OE1 3.14Å; R100-E130 IonicContact CZ-OE1 2.78Å; R100-E130 IonicContact CZ-OE2 3.04Å; R100-E130 IonicContact NE-OE1 2.69Å; R100-E130 PolarHBondContact NE-OE1 3.03Å; R100-E130 IonicContact NE-OE2 3.28Å; R100-E130 IonicContact NH2-OE1 3.24Å; R100-E130 PolarHBondContact NH2-OE1 3.28Å; R100-E130 IonicContact NH2-OE2 2.79Å; R100-E130 PolarHBondContact NH2-OE2 3.17Å; L106-E130 HydrophobicContact CD1-CB 4.07Å; L106-E130 HydrophobicContact CD1-CG 3.66Å; F126-E130 HydrophobicContact CD2-CG 3.95Å; F126-E130 HydrophobicContact CE2-CG 3.44Å; F126-E130 VanDerWaalsContact CE2-CG 3.44Å; F126-E130 WeakPolarHBondContact CE2-OE1 3.34Å; F126-E130 HydrophobicContact CZ-CG 3.87Å; F126-E130 VanDerWaalsContact O-CG 3.31Å; F126-E130 WeakPolarHBondContact O-CG 3.39Å; F126-E130 PolarHBondContact O-N 3.06Å; F126-E130 VanDerWaalsContact O-N 3.1Å; R127-E130 PolarHBondContact O-N 3.16Å; E128-E130 VanDerWaalsContact C-N 3.29Å; E128-E130 PolarHBondContact O-N 3.15Å; E130-Y132 HydrophobicContact CB-CD2 3.98Å; E130-Y132 HydrophobicContact CB-CE2 4.23Å |
| 131 | G | 80.1 | Confident | 79.7 | Confident | 49 Ų | 49 | 91.8 Ų | 91.8 | 51% | 0.505 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 16 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R127 E128 D129 I133 | R127-G131 PolarHBondContact O-N 3.29Å; E128-G131 PolarHBondContact O-N 3.11Å; D129-G131 VanDerWaalsContact C-N 3.26Å; G131-I133 PolarHBondContact O-N 3.39Å |
| 132 | Y | 76.1 | Confident | 79.3 | Confident | 85 Ų | 85 | 93.9 Ų | 93.9 | 33% | 0.333 | 46% | 0.455 | S | S | . | . | trans | -78.2 | 107.5 | 170.1 | -73.2 | -88.9 | 0 | 0 | 0 | 110 | L106 R127 E130 K134 L315 | L106-Y132 HydrophobicContact CD1-CE2 4.19Å; L106-Y132 HydrophobicContact CD2-CE2 3.41Å; L106-Y132 VanDerWaalsContact CD2-CE2 3.41Å; L106-Y132 VanDerWaalsContact CD2-CZ 3.49Å; L106-Y132 WeakPolarHBondContact CD2-OH 3.45Å; L106-Y132 HydrophobicContact CG-CE2 4.42Å; R127-Y132 WeakPolarHBondContact O-CB 3.44Å; R127-Y132 PolarHBondContact O-N 3.28Å; E130-Y132 HydrophobicContact CB-CD2 3.98Å; E130-Y132 HydrophobicContact CB-CE2 4.23Å; Y132-K134 PolarHBondContact O-N 3.13Å; Y132-L315 HydrophobicContact CD2-CD2 4.31Å; Y132-L315 HydrophobicContact CE1-CD2 4.25Å; Y132-L315 HydrophobicContact CE2-CD2 3.43Å; Y132-L315 VanDerWaalsContact CE2-CD2 3.43Å; Y132-L315 VanDerWaalsContact OH-CD2 3.25Å; Y132-L315 WeakPolarHBondContact OH-CD2 3.48Å | ||
| 133 | I | 68 | Low | 79.2 | Confident | 158 Ų | 158 | 98.2 Ų | 98.2 | 81% | 0.81 | 48% | 0.478 | S | S | * | . | trans | -71.2 | 124.8 | 169.7 | -57.6 | 166.8 | 0 | 0 | 0 | 107.7 | G131 E135 | G131-I133 PolarHBondContact O-N 3.39Å; I133-E135 PolarHBondContact O-N 3.24Å; I133-E135 VanDerWaalsContact O-N 3.11Å | ||
| 134 | K | 62.1 | Low | 79 | Confident | 144 Ų | 144 | 106.1 Ų | 106.1 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | trans | -59 | 115.9 | 171.1 | -172.9 | 167.7 | -177.6 | 165.3 | 0 | 108.1 | E124 Y132 E136 | E124-K134 IonicContact OE1-NZ 3.61Å; E124-K134 PolarHBondContact OE1-NZ 3.42Å; Y132-K134 PolarHBondContact O-N 3.13Å; K134-E136 PolarHBondContact O-N 3.16Å | ||
| 135 | E | 62.3 | Low | 79 | Confident | 131 Ų | 131 | 109.9 Ų | 109.9 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | trans | -60.7 | 111.4 | 168.1 | -77 | 178.5 | -174.7 | 0 | 0 | 106.7 | I133 E137 S308 | I133-E135 PolarHBondContact O-N 3.24Å; I133-E135 VanDerWaalsContact O-N 3.11Å; E135-E137 PolarHBondContact O-N 3.33Å; E135-S308 VanDerWaalsContact OE1-CB 3.3Å; E135-S308 WeakPolarHBondContact OE1-CB 3.35Å | ||
| 136 | E | 60.7 | Low | 79.1 | Confident | 183 Ų | 183 | 109 Ų | 109 | 86% | 0.855 | 53% | 0.525 | S | S | * | . | trans | -61 | 106.7 | 177.5 | -160.5 | 178.9 | -166 | 0 | 0 | 107.8 | K134 R138 | K134-E136 PolarHBondContact O-N 3.16Å; E136-R138 PolarHBondContact O-N 2.76Å | ||
| 137 | E | 62.4 | Low | 79.2 | Confident | 185 Ų | 185 | 114.5 Ų | 114.5 | 86% | 0.864 | 55% | 0.546 | S | S | * | . | trans | -62.7 | 106 | -178.8 | -76.2 | -171.3 | 171.9 | 0 | 0 | 108.9 | E135 P139 | E135-E137 PolarHBondContact O-N 3.33Å; E137-P139 WeakPolarHBondContact O-CD 3.3Å | ||
| 138 | R | 69.9 | Low | 79.3 | Confident | 116 Ų | 116 | 115.9 Ų | 115.9 | 44% | 0.438 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 119.2 | 177 | -65.5 | -176.6 | -175 | -177.2 | 4.4 | 108.4 | E136 L140 | E136-R138 PolarHBondContact O-N 2.76Å; R138-L140 PolarHBondContact O-N 3.37Å |
| 139 | P | 75.7 | Confident | 79.6 | Confident | 93 Ų | 93 | 111.2 Ų | 111.2 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 137.2 | -179.3 | 24.3 | -33.1 | 0 | 0 | 0 | 109.8 | E137 P245 | E137-P139 WeakPolarHBondContact O-CD 3.3Å; P139-P245 HydrophobicContact CG-CG 4.33Å; P139-P245 WeakPolarHBondContact O-CG 3.22Å |
| 140 | L | 82.6 | Confident | 79.9 | Confident | 68 Ų | 68 | 107.7 Ų | 107.7 | 36% | 0.356 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 147 | 171.4 | -66.2 | 172.5 | 0 | 0 | 0 | 108.9 | R138 L151 | R138-L140 PolarHBondContact O-N 3.37Å; L140-L151 HydrophobicContact CD2-CD2 4.36Å |
| 141 | P | 85.8 | Confident | 80.1 | Confident | 5 Ų | 5 | 108 Ų | 108 | 3% | 0.032 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 141.5 | 173.4 | 27.3 | -34.7 | 0 | 0 | 0 | 110.4 | Q146 R147 W150 A243 P245 | P141-Q146 HydrophobicContact CB-CB 3.99Å; P141-Q146 HydrophobicContact CG-CB 4.18Å; P141-R147 HydrophobicContact CG-CB 4.02Å; P141-W150 HydrophobicContact CG-CB 4Å; P141-W150 HydrophobicContact CG-CG 4.25Å; P141-A243 WeakPolarHBondContact CG-O 3.24Å; P141-P245 HydrophobicContact CB-CB 4.33Å |
| 142 | E | 83.3 | Confident | 80.5 | Confident | 192 Ų | 192 | 107.8 Ų | 107.8 | 90% | 0.897 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -69.2 | -35.3 | -174.7 | -62.9 | -179.6 | 170.5 | 0 | 0 | 112.5 | ||
| 143 | N | 90.5 | Very high | 81.2 | Confident | 93 Ų | 93 | 104.9 Ų | 104.9 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -73.4 | 130.4 | -179.7 | -66.9 | -51.7 | 0 | 0 | 0 | 111.4 | F145 Q146 R147 | N143-F145 PolarHBondContact O-N 2.79Å; N143-Q146 HydrophobicContact CB-CB 4.05Å; N143-Q146 HydrophobicContact CB-CG 4.03Å; N143-Q146 PolarHBondContact ND2-OE1 3.24Å; N143-Q146 PolarHBondContact O-N 2.72Å; N143-R147 WeakPolarHBondContact O-CB 3.3Å; N143-R147 PolarHBondContact O-N 3.33Å |
| 144 | E | 89.1 | Confident | 82 | Confident | 173 Ų | 173 | 98.8 Ų | 98.8 | 81% | 0.808 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.7 | -43 | -177.2 | -64.2 | -168.5 | 162.9 | 0 | 0 | 113.3 | R147 Q148 | E144-R147 PolarHBondContact O-N 3.4Å; E144-Q148 WeakPolarHBondContact O-CB 3.28Å; E144-Q148 PolarHBondContact O-N 3.41Å |
| 145 | F | 89.9 | Confident | 83.2 | Confident | 158 Ų | 158 | 95.5 Ų | 95.5 | 69% | 0.693 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.7 | -46 | 177.9 | -179.4 | -102.3 | 0 | 0 | 0 | 111.9 | N143 R147 Q148 V149 | N143-F145 PolarHBondContact O-N 2.79Å; F145-R147 VanDerWaalsContact C-N 3.28Å; F145-R147 PolarHBondContact O-N 3.17Å; F145-Q148 PolarHBondContact O-N 3.29Å; F145-V149 HydrophobicContact CD1-CG2 4.4Å; F145-V149 HydrophobicContact CE1-CG2 3.98Å; F145-V149 HydrophobicContact CE2-CG2 4.18Å; F145-V149 HydrophobicContact CZ-CG2 3.87Å; F145-V149 WeakPolarHBondContact O-CG2 3.44Å; F145-V149 PolarHBondContact O-N 2.84Å |
| 146 | Q | 89.8 | Confident | 84.3 | Confident | 64 Ų | 64 | 91.1 Ų | 91.1 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 177 | -68.9 | 174.7 | -8.5 | 0 | 0 | 110.6 | P141 N143 V149 W150 | P141-Q146 HydrophobicContact CB-CB 3.99Å; P141-Q146 HydrophobicContact CG-CB 4.18Å; N143-Q146 HydrophobicContact CB-CB 4.05Å; N143-Q146 HydrophobicContact CB-CG 4.03Å; N143-Q146 PolarHBondContact ND2-OE1 3.24Å; N143-Q146 PolarHBondContact O-N 2.72Å; Q146-V149 PolarHBondContact O-N 2.85Å; Q146-W150 WeakPolarHBondContact O-CB 3.25Å; Q146-W150 PolarHBondContact O-N 3.24Å |
| 147 | R | 90.5 | Very high | 85.4 | Confident | 123 Ų | 123 | 88.9 Ų | 88.9 | 46% | 0.464 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.6 | -173.7 | 178.5 | 174.1 | -174.4 | 2.1 | 112.2 | P141 N143 E144 F145 W150 L151 | P141-R147 HydrophobicContact CG-CB 4.02Å; N143-R147 WeakPolarHBondContact O-CB 3.3Å; N143-R147 PolarHBondContact O-N 3.33Å; E144-R147 PolarHBondContact O-N 3.4Å; F145-R147 VanDerWaalsContact C-N 3.28Å; F145-R147 PolarHBondContact O-N 3.17Å; R147-W150 PolarHBondContact O-N 3.47Å; R147-L151 HydrophobicContact CG-CD1 4.15Å; R147-L151 WeakPolarHBondContact O-CB 3.46Å; R147-L151 VanDerWaalsContact O-CG 3.22Å; R147-L151 WeakPolarHBondContact O-CG 3.38Å; R147-L151 PolarHBondContact O-N 2.98Å |
| 148 | Q | 90.3 | Very high | 86.6 | Confident | 141 Ų | 141 | 82.6 Ų | 82.6 | 66% | 0.659 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 178.2 | -171.3 | 172.4 | 2.4 | 0 | 0 | 111.5 | E144 F145 L152 | E144-Q148 WeakPolarHBondContact O-CB 3.28Å; E144-Q148 PolarHBondContact O-N 3.41Å; F145-Q148 PolarHBondContact O-N 3.29Å; Q148-L152 WeakPolarHBondContact O-CB 3.4Å; Q148-L152 PolarHBondContact O-N 3.35Å; Q148-L152 VanDerWaalsContact O-N 3.08Å |
| 149 | V | 92.6 | Very high | 87.6 | Confident | 31 Ų | 31 | 79.2 Ų | 79.2 | 19% | 0.188 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | F145 Q146 L152 F153 V239 A243 | F145-V149 HydrophobicContact CD1-CG2 4.4Å; F145-V149 HydrophobicContact CE1-CG2 3.98Å; F145-V149 HydrophobicContact CE2-CG2 4.18Å; F145-V149 HydrophobicContact CZ-CG2 3.87Å; F145-V149 WeakPolarHBondContact O-CG2 3.44Å; F145-V149 PolarHBondContact O-N 2.84Å; Q146-V149 PolarHBondContact O-N 2.85Å; V149-L152 WeakPolarHBondContact O-CB 3.5Å; V149-L152 PolarHBondContact O-N 3.1Å; V149-F153 HydrophobicContact CG1-CD2 4.31Å; V149-F153 PolarHBondContact O-N 3.44Å; V149-V239 HydrophobicContact CG1-CG1 3.32Å; V149-A243 HydrophobicContact CB-CB 4.14Å; V149-A243 HydrophobicContact CG1-CB 3.81Å |
| 150 | W | 91.4 | Very high | 88.4 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 9% | 0.087 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 177.1 | -176.8 | -104.2 | 0 | 0 | 0 | 111.7 | P141 Q146 R147 L152 F153 E154 Y155 R240 A243 C244 | P141-W150 HydrophobicContact CG-CB 4Å; P141-W150 HydrophobicContact CG-CG 4.25Å; Q146-W150 WeakPolarHBondContact O-CB 3.25Å; Q146-W150 PolarHBondContact O-N 3.24Å; R147-W150 PolarHBondContact O-N 3.47Å; W150-L152 VanDerWaalsContact C-N 3.28Å; W150-L152 PolarHBondContact O-N 2.98Å; W150-F153 PolarHBondContact O-N 3.33Å; W150-E154 HydrophobicContact CD2-CB 4.35Å; W150-E154 HydrophobicContact CZ2-CB 4.42Å; W150-E154 HydrophobicContact CZ2-CG 3.95Å; W150-E154 WeakPolarHBondContact O-CB 3.38Å; W150-E154 PolarHBondContact O-N 3.27Å; W150-Y155 AromaticContact NE1-CE2 3.95Å; W150-R240 HydrophobicContact CZ3-CB 4.25Å; W150-R240 WeakPolarHBondContact CZ3-O 3.28Å; W150-A243 HydrophobicContact CB-CB 4.18Å; W150-A243 HydrophobicContact CE3-CB 4.19Å; W150-C244 HydrophobicContact CE3-CB 3.97Å; W150-C244 HydrophobicContact CH2-CB 3.75Å; W150-C244 HydrophobicContact CZ3-CB 3.34Å |
| 151 | L | 88.7 | Confident | 88.9 | Confident | 52 Ų | 52 | 77.4 Ų | 77.4 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 176 | -72.9 | 172.1 | 0 | 0 | 0 | 111.9 | L140 R147 F153 Y155 S158 | L140-L151 HydrophobicContact CD2-CD2 4.36Å; R147-L151 HydrophobicContact CG-CD1 4.15Å; R147-L151 WeakPolarHBondContact O-CB 3.46Å; R147-L151 VanDerWaalsContact O-CG 3.22Å; R147-L151 WeakPolarHBondContact O-CG 3.38Å; R147-L151 PolarHBondContact O-N 2.98Å; L151-F153 PolarHBondContact O-N 3.32Å; L151-Y155 HydrophobicContact CD2-CD2 3.79Å; L151-Y155 HydrophobicContact CD2-CE2 4.36Å; L151-Y155 HydrophobicContact CD2-CG 4.34Å; L151-Y155 CarbonylContact O-C 3.6Å; L151-Y155 WeakPolarHBondContact O-CA 3.03Å; L151-Y155 PolarHBondContact O-N 3.22Å; L151-Y155 VanDerWaalsContact O-N 3.08Å; L151-S158 PolarHBondContact O-OG 3.02Å |
| 152 | L | 89.6 | Confident | 89.1 | Confident | 45 Ų | 45 | 77.2 Ų | 77.2 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -37 | -178.9 | -169 | 71.7 | 0 | 0 | 0 | 113 | Q148 V149 W150 P161 A162 I165 | Q148-L152 WeakPolarHBondContact O-CB 3.4Å; Q148-L152 PolarHBondContact O-N 3.35Å; Q148-L152 VanDerWaalsContact O-N 3.08Å; V149-L152 WeakPolarHBondContact O-CB 3.5Å; V149-L152 PolarHBondContact O-N 3.1Å; W150-L152 VanDerWaalsContact C-N 3.28Å; W150-L152 PolarHBondContact O-N 2.98Å; L152-P161 HydrophobicContact CD1-CB 3.84Å; L152-A162 HydrophobicContact CD1-CB 3.92Å; L152-I165 HydrophobicContact CD1-CD1 3.88Å; L152-I165 HydrophobicContact CD2-CD1 3.47Å; L152-I165 VanDerWaalsContact CD2-CD1 3.47Å; L152-I165 HydrophobicContact CG-CD1 3.49Å; L152-I165 VanDerWaalsContact CG-CD1 3.49Å |
| 153 | F | 89.8 | Confident | 89.5 | Confident | 24 Ų | 24 | 74.3 Ų | 74.3 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -100.7 | -23.2 | -174.9 | -82.5 | -92.1 | 0 | 0 | 0 | 114.9 | V149 W150 L151 I165 F235 E236 V239 R240 | V149-F153 HydrophobicContact CG1-CD2 4.31Å; V149-F153 PolarHBondContact O-N 3.44Å; W150-F153 PolarHBondContact O-N 3.33Å; L151-F153 PolarHBondContact O-N 3.32Å; F153-I165 HydrophobicContact CD1-CG2 4.08Å; F153-I165 HydrophobicContact CE1-CG2 3.84Å; F153-I165 HydrophobicContact CE2-CD1 4.47Å; F153-I165 HydrophobicContact CZ-CD1 4.49Å; F153-I165 HydrophobicContact CZ-CG2 4.23Å; F153-F235 HydrophobicContact CE1-CE1 4.02Å; F153-F235 AromaticContact CZ-CE1 3.73Å; F153-F235 HydrophobicContact CZ-CE1 3.73Å; F153-F235 HydrophobicContact CZ-CZ 4.04Å; F153-E236 HydrophobicContact CD1-CG 4.27Å; F153-E236 HydrophobicContact CE1-CG 4.02Å; F153-V239 HydrophobicContact CD2-CG1 3.63Å; F153-V239 HydrophobicContact CE2-CG1 3.65Å; F153-V239 HydrophobicContact CG-CG1 4.1Å; F153-V239 HydrophobicContact CZ-CG1 4.12Å; F153-R240 HydrophobicContact CB-CG 4.13Å; F153-R240 PolarHBondContact O-NE 2.98Å; F153-R240 PolarHBondContact O-NH2 3.3Å |
| 154 | E | 85.8 | Confident | 89.6 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -102 | -30.2 | -177.7 | -166.2 | 66.3 | -167.4 | 0 | 0 | 112.3 | W150 P156 R240 R300 | W150-E154 HydrophobicContact CD2-CB 4.35Å; W150-E154 HydrophobicContact CZ2-CB 4.42Å; W150-E154 HydrophobicContact CZ2-CG 3.95Å; W150-E154 WeakPolarHBondContact O-CB 3.38Å; W150-E154 PolarHBondContact O-N 3.27Å; E154-P156 WeakPolarHBondContact O-CD 3.4Å; E154-R240 IonicContact OE2-NE 3.53Å; E154-R300 IonicContact OE2-NH2 2.81Å; E154-R300 PolarHBondContact OE2-NH2 3.12Å |
| 155 | Y | 86.3 | Confident | 89.7 | Confident | 75 Ų | 75 | 68.6 Ų | 68.6 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | trans | -121.4 | 91 | -176.4 | -64.1 | -86.1 | 0 | 0 | 0 | 111.3 | W150 L151 E157 S158 | W150-Y155 AromaticContact NE1-CE2 3.95Å; L151-Y155 HydrophobicContact CD2-CD2 3.79Å; L151-Y155 HydrophobicContact CD2-CE2 4.36Å; L151-Y155 HydrophobicContact CD2-CG 4.34Å; L151-Y155 CarbonylContact O-C 3.6Å; L151-Y155 WeakPolarHBondContact O-CA 3.03Å; L151-Y155 PolarHBondContact O-N 3.22Å; L151-Y155 VanDerWaalsContact O-N 3.08Å; Y155-E157 PolarHBondContact O-N 2.75Å; Y155-E157 VanDerWaalsContact O-N 3.13Å; Y155-S158 WeakPolarHBondContact O-CB 3.44Å; Y155-S158 PolarHBondContact O-N 2.99Å; Y155-S158 PolarHBondContact O-OG 3.36Å | ||
| 156 | P | 86.6 | Confident | 89.7 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 25% | 0.253 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -56.2 | -32.7 | 179.4 | -26.8 | 35.1 | 0 | 0 | 0 | 113.5 | E154 S158 R163 A166 | E154-P156 WeakPolarHBondContact O-CD 3.4Å; P156-S158 PolarHBondContact O-N 3.31Å; P156-R163 WeakPolarHBondContact O-CG 3.47Å; P156-R163 PolarHBondContact O-N 3.45Å; P156-A166 HydrophobicContact CB-CB 3.67Å; P156-A166 HydrophobicContact CG-CB 3.72Å |
| 157 | E | 83.9 | Confident | 89.6 | Confident | 136 Ų | 136 | 64 Ų | 64 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -77.5 | -4.1 | 179.6 | -60.7 | -56.1 | 153.9 | 0 | 0 | 114.2 | Y155 S159 R163 | Y155-E157 PolarHBondContact O-N 2.75Å; Y155-E157 VanDerWaalsContact O-N 3.13Å; E157-S159 VanDerWaalsContact C-N 3.34Å; E157-S159 PolarHBondContact O-N 2.93Å; E157-R163 IonicContact OE2-CZ 3.86Å; E157-R163 VanDerWaalsContact OE2-CZ 3.28Å; E157-R163 IonicContact OE2-NE 2.94Å; E157-R163 PolarHBondContact OE2-NE 3.07Å; E157-R163 VanDerWaalsContact OE2-NE 3.09Å; E157-R163 IonicContact OE2-NH2 3Å; E157-R163 PolarHBondContact OE2-NH2 3.34Å |
| 158 | S | 86.7 | Confident | 89.7 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -66.6 | -33.8 | -178.8 | 65.5 | 0 | 0 | 0 | 0 | 113 | L151 Y155 P156 A162 | L151-S158 PolarHBondContact O-OG 3.02Å; Y155-S158 WeakPolarHBondContact O-CB 3.44Å; Y155-S158 PolarHBondContact O-N 2.99Å; Y155-S158 PolarHBondContact O-OG 3.36Å; P156-S158 PolarHBondContact O-N 3.31Å; S158-A162 VanDerWaalsContact OG-CB 3.29Å; S158-A162 WeakPolarHBondContact OG-CB 3.37Å |
| 159 | S | 91.5 | Very high | 89.7 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | trans | -164.7 | 164.2 | -175.7 | 65.9 | 0 | 0 | 0 | 0 | 113.1 | E157 A162 R163 | E157-S159 VanDerWaalsContact C-N 3.34Å; E157-S159 PolarHBondContact O-N 2.93Å; S159-A162 WeakPolarHBondContact O-CB 3.34Å; S159-A162 PolarHBondContact O-N 2.96Å; S159-A162 WeakPolarHBondContact OG-CB 3.34Å; S159-A162 PolarHBondContact OG-N 2.79Å; S159-R163 PolarHBondContact O-N 3.09Å; S159-R163 VanDerWaalsContact O-N 3.09Å | ||
| 160 | G | 91.4 | Very high | 89.5 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.3 | -49.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A162 R163 I164 | G160-A162 VanDerWaalsContact C-N 3.31Å; G160-A162 PolarHBondContact O-N 3.3Å; G160-R163 WeakPolarHBondContact O-CB 3.42Å; G160-R163 PolarHBondContact O-N 3.45Å; G160-I164 PolarHBondContact O-N 2.95Å; G160-I164 VanDerWaalsContact O-N 3.16Å |
| 161 | P | 94 | Very high | 89.4 | Confident | 79 Ų | 79 | 58 Ų | 58 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.2 | -36.8 | 173.9 | -27.8 | 37.3 | 0 | 0 | 0 | 114 | L152 R163 I164 I165 | L152-P161 HydrophobicContact CD1-CB 3.84Å; P161-R163 VanDerWaalsContact C-N 3.33Å; P161-R163 PolarHBondContact O-N 3.48Å; P161-I164 PolarHBondContact O-N 3.45Å; P161-I165 PolarHBondContact O-N 3.3Å |
| 162 | A | 90.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L152 S158 S159 G160 I164 I165 A166 | L152-A162 HydrophobicContact CD1-CB 3.92Å; S158-A162 VanDerWaalsContact OG-CB 3.29Å; S158-A162 WeakPolarHBondContact OG-CB 3.37Å; S159-A162 WeakPolarHBondContact O-CB 3.34Å; S159-A162 PolarHBondContact O-N 2.96Å; S159-A162 WeakPolarHBondContact OG-CB 3.34Å; S159-A162 PolarHBondContact OG-N 2.79Å; G160-A162 VanDerWaalsContact C-N 3.31Å; G160-A162 PolarHBondContact O-N 3.3Å; A162-I164 PolarHBondContact O-N 3.39Å; A162-I165 PolarHBondContact O-N 2.83Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.16Å |
| 163 | R | 90.4 | Very high | 89.4 | Confident | 131 Ų | 131 | 55.1 Ų | 55.1 | 49% | 0.494 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 174.5 | -65.9 | -176.9 | 175 | 166 | 0.2 | 112 | P156 E157 S159 G160 P161 A166 I167 | P156-R163 WeakPolarHBondContact O-CG 3.47Å; P156-R163 PolarHBondContact O-N 3.45Å; E157-R163 IonicContact OE2-CZ 3.86Å; E157-R163 VanDerWaalsContact OE2-CZ 3.28Å; E157-R163 IonicContact OE2-NE 2.94Å; E157-R163 PolarHBondContact OE2-NE 3.07Å; E157-R163 VanDerWaalsContact OE2-NE 3.09Å; E157-R163 IonicContact OE2-NH2 3Å; E157-R163 PolarHBondContact OE2-NH2 3.34Å; S159-R163 PolarHBondContact O-N 3.09Å; S159-R163 VanDerWaalsContact O-N 3.09Å; G160-R163 WeakPolarHBondContact O-CB 3.42Å; G160-R163 PolarHBondContact O-N 3.45Å; P161-R163 VanDerWaalsContact C-N 3.33Å; P161-R163 PolarHBondContact O-N 3.48Å; R163-A166 PolarHBondContact O-N 3.09Å; R163-I167 WeakPolarHBondContact O-CD1 3.43Å; R163-I167 VanDerWaalsContact O-CG1 3.23Å; R163-I167 WeakPolarHBondContact O-CG1 3.36Å; R163-I167 PolarHBondContact O-N 3.2Å |
| 164 | I | 93.3 | Very high | 89.3 | Confident | 111 Ų | 111 | 57.4 Ų | 57.4 | 57% | 0.569 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 178.7 | -64.4 | 170.6 | 0 | 0 | 0 | 110.3 | G160 P161 A162 A166 I167 V168 | G160-I164 PolarHBondContact O-N 2.95Å; G160-I164 VanDerWaalsContact O-N 3.16Å; P161-I164 PolarHBondContact O-N 3.45Å; A162-I164 PolarHBondContact O-N 3.39Å; I164-A166 VanDerWaalsContact C-N 3.33Å; I164-A166 PolarHBondContact O-N 3.24Å; I164-I167 PolarHBondContact O-N 2.78Å; I164-V168 WeakPolarHBondContact O-CG2 3.23Å; I164-V168 PolarHBondContact O-N 3.07Å |
| 165 | I | 91.2 | Very high | 89.5 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 19% | 0.185 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 177.7 | -72.4 | 164.5 | 0 | 0 | 0 | 110.4 | L152 F153 P161 A162 I167 V168 S169 | L152-I165 HydrophobicContact CD1-CD1 3.88Å; L152-I165 HydrophobicContact CD2-CD1 3.47Å; L152-I165 VanDerWaalsContact CD2-CD1 3.47Å; L152-I165 HydrophobicContact CG-CD1 3.49Å; L152-I165 VanDerWaalsContact CG-CD1 3.49Å; F153-I165 HydrophobicContact CD1-CG2 4.08Å; F153-I165 HydrophobicContact CE1-CG2 3.84Å; F153-I165 HydrophobicContact CE2-CD1 4.47Å; F153-I165 HydrophobicContact CZ-CD1 4.49Å; F153-I165 HydrophobicContact CZ-CG2 4.23Å; P161-I165 PolarHBondContact O-N 3.3Å; A162-I165 PolarHBondContact O-N 2.83Å; I165-I167 VanDerWaalsContact C-N 3.32Å; I165-I167 PolarHBondContact O-N 3.47Å; I165-V168 PolarHBondContact O-N 3.09Å; I165-S169 PolarHBondContact O-N 3.42Å; I165-S169 PolarHBondContact O-OG 3.46Å; I165-S169 VanDerWaalsContact O-OG 3.08Å |
| 166 | A | 88.9 | Confident | 89.4 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 21% | 0.207 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | P156 A162 R163 I164 V170 | P156-A166 HydrophobicContact CB-CB 3.67Å; P156-A166 HydrophobicContact CG-CB 3.72Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.16Å; R163-A166 PolarHBondContact O-N 3.09Å; I164-A166 VanDerWaalsContact C-N 3.33Å; I164-A166 PolarHBondContact O-N 3.24Å; A166-V170 WeakPolarHBondContact O-CG2 3.48Å; A166-V170 PolarHBondContact O-N 3.11Å; A166-V170 VanDerWaalsContact O-N 3.08Å |
| 167 | I | 89.6 | Confident | 89.4 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 175 | -69.1 | 162.6 | 0 | 0 | 0 | 110.3 | R163 I164 I165 V170 M171 | R163-I167 WeakPolarHBondContact O-CD1 3.43Å; R163-I167 VanDerWaalsContact O-CG1 3.23Å; R163-I167 WeakPolarHBondContact O-CG1 3.36Å; R163-I167 PolarHBondContact O-N 3.2Å; I164-I167 PolarHBondContact O-N 2.78Å; I165-I167 VanDerWaalsContact C-N 3.32Å; I165-I167 PolarHBondContact O-N 3.47Å; I167-V170 PolarHBondContact O-N 3.23Å; I167-M171 WeakPolarHBondContact O-CG 3.29Å; I167-M171 PolarHBondContact O-N 2.72Å |
| 168 | V | 91.9 | Very high | 89.5 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 35% | 0.352 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 177.7 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | I164 I165 V170 M171 V172 W232 | I164-V168 WeakPolarHBondContact O-CG2 3.23Å; I164-V168 PolarHBondContact O-N 3.07Å; I165-V168 PolarHBondContact O-N 3.09Å; V168-V170 VanDerWaalsContact C-N 3.28Å; V168-V170 PolarHBondContact O-N 2.96Å; V168-M171 PolarHBondContact O-N 2.94Å; V168-M171 VanDerWaalsContact O-N 3.09Å; V168-V172 HydrophobicContact CG1-CG2 4.33Å; V168-V172 WeakPolarHBondContact O-CG2 3.18Å; V168-V172 PolarHBondContact O-N 3.18Å; V168-W232 HydrophobicContact CB-CZ2 4.34Å; V168-W232 HydrophobicContact CG1-CH2 3.84Å; V168-W232 HydrophobicContact CG1-CZ2 3.67Å |
| 169 | S | 89.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.6 | -40.9 | 177.8 | -59 | 0 | 0 | 0 | 0 | 112 | I165 V172 I173 E236 | I165-S169 PolarHBondContact O-N 3.42Å; I165-S169 PolarHBondContact O-OG 3.46Å; I165-S169 VanDerWaalsContact O-OG 3.08Å; S169-V172 PolarHBondContact O-N 3.43Å; S169-I173 VanDerWaalsContact O-CG1 3.27Å; S169-I173 WeakPolarHBondContact O-CG1 3.43Å; S169-I173 PolarHBondContact O-N 2.98Å; S169-E236 WeakPolarHBondContact CB-OE1 3.41Å; S169-E236 PolarHBondContact OG-OE1 3.01Å; S169-E236 PolarHBondContact OG-OE2 3.43Å |
| 170 | V | 88.6 | Confident | 88.7 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 12% | 0.121 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176 | 172 | 0 | 0 | 0 | 0 | 111.6 | A166 I167 V168 V172 I173 L174 L298 | A166-V170 WeakPolarHBondContact O-CG2 3.48Å; A166-V170 PolarHBondContact O-N 3.11Å; A166-V170 VanDerWaalsContact O-N 3.08Å; I167-V170 PolarHBondContact O-N 3.23Å; V168-V170 VanDerWaalsContact C-N 3.28Å; V168-V170 PolarHBondContact O-N 2.96Å; V170-V172 VanDerWaalsContact C-N 3.34Å; V170-V172 PolarHBondContact O-N 3.4Å; V170-I173 PolarHBondContact O-N 3.48Å; V170-L174 HydrophobicContact CG1-CD1 4.23Å; V170-L174 HydrophobicContact CG1-CG 4.48Å; V170-L174 WeakPolarHBondContact O-CG 3.39Å; V170-L174 PolarHBondContact O-N 3.46Å; V170-L298 HydrophobicContact CG1-CD1 4.5Å |
| 171 | M | 89.5 | Confident | 88.2 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 51% | 0.512 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.4 | -68.7 | -60.9 | 175.8 | 0 | 0 | 111.7 | I167 V168 I173 L174 I175 | I167-M171 WeakPolarHBondContact O-CG 3.29Å; I167-M171 PolarHBondContact O-N 2.72Å; V168-M171 PolarHBondContact O-N 2.94Å; V168-M171 VanDerWaalsContact O-N 3.09Å; M171-I173 VanDerWaalsContact C-N 3.35Å; M171-I173 PolarHBondContact O-N 3.23Å; M171-L174 PolarHBondContact O-N 3.2Å; M171-L174 HydrophobicContact SD-CD1 4.37Å; M171-I175 WeakPolarHBondContact O-CB 3.22Å; M171-I175 VanDerWaalsContact O-CG1 3.25Å; M171-I175 WeakPolarHBondContact O-CG1 3.48Å; M171-I175 PolarHBondContact O-N 2.92Å |
| 172 | V | 89.1 | Confident | 87.5 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | V168 S169 V170 I175 S176 C229 W232 F233 | V168-V172 HydrophobicContact CG1-CG2 4.33Å; V168-V172 WeakPolarHBondContact O-CG2 3.18Å; V168-V172 PolarHBondContact O-N 3.18Å; S169-V172 PolarHBondContact O-N 3.43Å; V170-V172 VanDerWaalsContact C-N 3.34Å; V170-V172 PolarHBondContact O-N 3.4Å; V172-I175 PolarHBondContact O-N 3.13Å; V172-S176 WeakPolarHBondContact O-CB 3.36Å; V172-S176 PolarHBondContact O-N 2.72Å; V172-C229 HydrophobicContact CG1-CB 4.17Å; V172-W232 HydrophobicContact CB-CG 4.45Å; V172-W232 HydrophobicContact CG1-CB 4.11Å; V172-W232 HydrophobicContact CG1-CG 4.06Å; V172-W232 HydrophobicContact CG2-CD2 4.42Å; V172-W232 HydrophobicContact CG2-CG 4.12Å; V172-F233 HydrophobicContact CG1-CE1 4.09Å; V172-F233 HydrophobicContact CG1-CZ 4.25Å |
| 173 | I | 88.4 | Confident | 86.6 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58 | -50.5 | 173.3 | -67.1 | 163.8 | 0 | 0 | 0 | 110.6 | S169 V170 M171 I175 S176 I177 F233 R297 | S169-I173 VanDerWaalsContact O-CG1 3.27Å; S169-I173 WeakPolarHBondContact O-CG1 3.43Å; S169-I173 PolarHBondContact O-N 2.98Å; V170-I173 PolarHBondContact O-N 3.48Å; M171-I173 VanDerWaalsContact C-N 3.35Å; M171-I173 PolarHBondContact O-N 3.23Å; I173-I175 PolarHBondContact O-N 3.16Å; I173-S176 PolarHBondContact O-N 2.94Å; I173-S176 PolarHBondContact O-OG 3.38Å; I173-I177 HydrophobicContact CG2-CD1 3.81Å; I173-I177 WeakPolarHBondContact O-CG1 3.37Å; I173-I177 PolarHBondContact O-N 3.08Å; I173-F233 HydrophobicContact CB-CZ 4.48Å; I173-F233 HydrophobicContact CG1-CE1 3.63Å; I173-F233 HydrophobicContact CG1-CZ 3.77Å; I173-R297 HydrophobicContact CD1-CB 3.84Å; I173-R297 HydrophobicContact CG1-CB 4.35Å |
| 174 | L | 88.3 | Confident | 85.7 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 37% | 0.372 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | -179.8 | -67.7 | 175.5 | 0 | 0 | 0 | 111.8 | V170 M171 S176 I177 V178 L298 | V170-L174 HydrophobicContact CG1-CD1 4.23Å; V170-L174 HydrophobicContact CG1-CG 4.48Å; V170-L174 WeakPolarHBondContact O-CG 3.39Å; V170-L174 PolarHBondContact O-N 3.46Å; M171-L174 PolarHBondContact O-N 3.2Å; M171-L174 HydrophobicContact SD-CD1 4.37Å; L174-S176 VanDerWaalsContact C-N 3.3Å; L174-S176 PolarHBondContact O-N 3.32Å; L174-I177 PolarHBondContact O-N 3Å; L174-V178 WeakPolarHBondContact O-CG2 3.39Å; L174-V178 PolarHBondContact O-N 3.46Å; L174-L298 HydrophobicContact CD2-CD1 4.32Å |
| 175 | I | 88.9 | Confident | 84.8 | Confident | 87 Ų | 87 | 50 Ų | 50 | 45% | 0.446 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 177.1 | -69.3 | 165 | 0 | 0 | 0 | 110.7 | M171 V172 I173 I177 V178 S179 V225 | M171-I175 WeakPolarHBondContact O-CB 3.22Å; M171-I175 VanDerWaalsContact O-CG1 3.25Å; M171-I175 WeakPolarHBondContact O-CG1 3.48Å; M171-I175 PolarHBondContact O-N 2.92Å; V172-I175 PolarHBondContact O-N 3.13Å; I173-I175 PolarHBondContact O-N 3.16Å; I175-I177 VanDerWaalsContact C-N 3.32Å; I175-I177 PolarHBondContact O-N 3.23Å; I175-V178 PolarHBondContact O-N 2.88Å; I175-S179 WeakPolarHBondContact O-CB 3.39Å; I175-S179 PolarHBondContact O-N 3.38Å; I175-S179 PolarHBondContact O-OG 3.36Å; I175-V225 HydrophobicContact CG2-CG1 3.67Å |
| 176 | S | 85.4 | Confident | 83.5 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 178.5 | 77.4 | 0 | 0 | 0 | 0 | 112.9 | V172 I173 L174 F180 | V172-S176 WeakPolarHBondContact O-CB 3.36Å; V172-S176 PolarHBondContact O-N 2.72Å; I173-S176 PolarHBondContact O-N 2.94Å; I173-S176 PolarHBondContact O-OG 3.38Å; L174-S176 VanDerWaalsContact C-N 3.3Å; L174-S176 PolarHBondContact O-N 3.32Å; S176-F180 WeakPolarHBondContact O-CB 3.18Å; S176-F180 PolarHBondContact O-N 2.86Å |
| 177 | I | 85.5 | Confident | 82.5 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 21% | 0.205 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.6 | -48.3 | 177.3 | -65.2 | 163.2 | 0 | 0 | 0 | 110 | I173 L174 I175 S179 F180 C181 V295 | I173-I177 HydrophobicContact CG2-CD1 3.81Å; I173-I177 WeakPolarHBondContact O-CG1 3.37Å; I173-I177 PolarHBondContact O-N 3.08Å; L174-I177 PolarHBondContact O-N 3Å; I175-I177 VanDerWaalsContact C-N 3.32Å; I175-I177 PolarHBondContact O-N 3.23Å; I177-S179 VanDerWaalsContact C-N 3.34Å; I177-S179 PolarHBondContact O-N 3.31Å; I177-F180 PolarHBondContact O-N 3.37Å; I177-C181 WeakPolarHBondContact O-CB 3.43Å; I177-C181 PolarHBondContact O-N 3.08Å; I177-C181 PolarHBondContact O-SG 3.27Å; I177-V295 HydrophobicContact CD1-CB 4.35Å; I177-V295 HydrophobicContact CD1-CG2 4.25Å |
| 178 | V | 86.7 | Confident | 81.2 | Confident | 83 Ų | 83 | 55.4 Ų | 55.4 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 179.5 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L174 I175 F180 C181 L182 | L174-V178 WeakPolarHBondContact O-CG2 3.39Å; L174-V178 PolarHBondContact O-N 3.46Å; I175-V178 PolarHBondContact O-N 2.88Å; V178-F180 VanDerWaalsContact C-N 3.35Å; V178-F180 PolarHBondContact O-N 3.28Å; V178-C181 WeakPolarHBondContact O-CB 3.35Å; V178-C181 PolarHBondContact O-N 2.89Å; V178-L182 HydrophobicContact CG1-CD1 3.91Å; V178-L182 HydrophobicContact CG1-CG 4.24Å; V178-L182 VanDerWaalsContact O-CG 3.27Å; V178-L182 WeakPolarHBondContact O-CG 3.19Å; V178-L182 PolarHBondContact O-N 3.08Å |
| 179 | S | 82.5 | Confident | 79.6 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 179.5 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | I175 I177 C181 L182 E183 V225 | I175-S179 WeakPolarHBondContact O-CB 3.39Å; I175-S179 PolarHBondContact O-N 3.38Å; I175-S179 PolarHBondContact O-OG 3.36Å; I177-S179 VanDerWaalsContact C-N 3.34Å; I177-S179 PolarHBondContact O-N 3.31Å; S179-C181 PolarHBondContact O-N 2.98Å; S179-L182 PolarHBondContact O-N 3.3Å; S179-L182 VanDerWaalsContact O-N 3.13Å; S179-E183 PolarHBondContact O-N 3.3Å; S179-V225 VanDerWaalsContact OG-CG1 3.26Å; S179-V225 WeakPolarHBondContact OG-CG1 3.32Å |
| 180 | F | 78.5 | Confident | 77.8 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 174.9 | 176.1 | -102.4 | 0 | 0 | 0 | 113 | S176 I177 V178 L182 E183 T184 M288 A291 I292 | S176-F180 WeakPolarHBondContact O-CB 3.18Å; S176-F180 PolarHBondContact O-N 2.86Å; I177-F180 PolarHBondContact O-N 3.37Å; V178-F180 VanDerWaalsContact C-N 3.35Å; V178-F180 PolarHBondContact O-N 3.28Å; F180-L182 VanDerWaalsContact C-N 3.3Å; F180-L182 PolarHBondContact O-N 2.94Å; F180-E183 PolarHBondContact O-N 2.68Å; F180-T184 PolarHBondContact O-N 2.85Å; F180-T184 PolarHBondContact O-OG1 3.36Å; F180-M288 HydrophobicContact CE2-CB 4.07Å; F180-M288 HydrophobicContact CE2-CG 4.49Å; F180-M288 WeakPolarHBondContact CE2-O 3.37Å; F180-M288 HydrophobicContact CZ-CB 4.28Å; F180-M288 WeakPolarHBondContact CZ-O 3.13Å; F180-A291 HydrophobicContact CD1-CB 4.47Å; F180-A291 HydrophobicContact CD2-CB 3.44Å; F180-A291 VanDerWaalsContact CD2-CB 3.44Å; F180-A291 HydrophobicContact CE1-CB 4.5Å; F180-A291 HydrophobicContact CE2-CB 3.48Å; F180-A291 VanDerWaalsContact CE2-CB 3.48Å; F180-A291 HydrophobicContact CG-CB 3.97Å; F180-A291 HydrophobicContact CZ-CB 4.04Å; F180-I292 HydrophobicContact CE1-CD1 4.43Å; F180-I292 HydrophobicContact CE1-CG1 3.56Å; F180-I292 HydrophobicContact CZ-CG1 3.93Å |
| 181 | C | 81.3 | Confident | 76 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 47% | 0.466 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -38 | 175.5 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | I177 V178 S179 T184 | I177-C181 WeakPolarHBondContact O-CB 3.43Å; I177-C181 PolarHBondContact O-N 3.08Å; I177-C181 PolarHBondContact O-SG 3.27Å; V178-C181 WeakPolarHBondContact O-CB 3.35Å; V178-C181 PolarHBondContact O-N 2.89Å; S179-C181 PolarHBondContact O-N 2.98Å; C181-T184 PolarHBondContact O-N 3.09Å |
| 182 | L | 79.8 | Confident | 74.3 | Confident | 63 Ų | 63 | 69 Ų | 69 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 178.6 | -67.9 | 174.5 | 0 | 0 | 0 | 112.1 | V178 S179 F180 T184 L185 F188 F222 | V178-L182 HydrophobicContact CG1-CD1 3.91Å; V178-L182 HydrophobicContact CG1-CG 4.24Å; V178-L182 VanDerWaalsContact O-CG 3.27Å; V178-L182 WeakPolarHBondContact O-CG 3.19Å; V178-L182 PolarHBondContact O-N 3.08Å; S179-L182 PolarHBondContact O-N 3.3Å; S179-L182 VanDerWaalsContact O-N 3.13Å; F180-L182 VanDerWaalsContact C-N 3.3Å; F180-L182 PolarHBondContact O-N 2.94Å; L182-T184 PolarHBondContact O-N 3.17Å; L182-L185 HydrophobicContact CD2-CD1 3.9Å; L182-L185 WeakPolarHBondContact O-CB 3.44Å; L182-L185 PolarHBondContact O-N 3.08Å; L182-F188 HydrophobicContact CD2-CE2 4.16Å; L182-F188 WeakPolarHBondContact O-CD2 3.36Å; L182-F222 HydrophobicContact CB-CE1 3.79Å; L182-F222 HydrophobicContact CB-CZ 4.24Å; L182-F222 HydrophobicContact CD1-CE1 4.43Å |
| 183 | E | 72.3 | Confident | 72.4 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -27.7 | 173.5 | -74.6 | 169.4 | -151 | 0 | 0 | 113.1 | S179 F180 L185 F222 | S179-E183 PolarHBondContact O-N 3.3Å; F180-E183 PolarHBondContact O-N 2.68Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-F222 HydrophobicContact CG-CB 3.89Å; E183-F222 HydrophobicContact CG-CD1 3.71Å; E183-F222 HydrophobicContact CG-CE1 4.38Å; E183-F222 HydrophobicContact CG-CG 3.79Å; E183-F222 WeakPolarHBondContact OE1-CB 3.21Å |
| 184 | T | 71.5 | Confident | 70.5 | Confident | 76 Ų | 76 | 79.9 Ų | 79.9 | 47% | 0.466 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -16.7 | 178.3 | -52 | 0 | 0 | 0 | 0 | 112.1 | F180 C181 L182 | F180-T184 PolarHBondContact O-N 2.85Å; F180-T184 PolarHBondContact O-OG1 3.36Å; C181-T184 PolarHBondContact O-N 3.09Å; L182-T184 PolarHBondContact O-N 3.17Å |
| 185 | L | 72.6 | Confident | 68.5 | Low | 75 Ų | 75 | 84 Ų | 84 | 39% | 0.393 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -75 | 133.7 | -179.6 | -65.5 | 175.7 | 0 | 0 | 0 | 111.1 | L182 E183 I187 F188 | L182-L185 HydrophobicContact CD2-CD1 3.9Å; L182-L185 WeakPolarHBondContact O-CB 3.44Å; L182-L185 PolarHBondContact O-N 3.08Å; E183-L185 VanDerWaalsContact C-N 3.31Å; L185-I187 PolarHBondContact O-N 2.88Å; L185-F188 HydrophobicContact CB-CD2 4.15Å; L185-F188 HydrophobicContact CD1-CD2 4.49Å; L185-F188 HydrophobicContact CD1-CE2 4.28Å; L185-F188 PolarHBondContact O-N 3.19Å |
| 186 | P | 65.1 | Low | 66.6 | Low | 80 Ų | 80 | 86.3 Ų | 86.3 | 52% | 0.519 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.7 | -29.3 | -178 | 24.5 | -33.7 | 0 | 0 | 0 | 113 | F188 R189 D190 | P186-F188 PolarHBondContact O-N 3.33Å; P186-R189 PolarHBondContact O-N 2.93Å; P186-D190 PolarHBondContact O-N 3.33Å |
| 187 | I | 67.2 | Low | 64.7 | Low | 117 Ų | 117 | 89.2 Ų | 89.2 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.7 | -35.4 | 179.3 | -62 | 169.4 | 0 | 0 | 0 | 112.1 | L185 | L185-I187 PolarHBondContact O-N 2.88Å |
| 188 | F | 61.9 | Low | 62.7 | Low | 77 Ų | 77 | 91 Ų | 91 | 34% | 0.338 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -92.7 | -10.4 | 178.9 | -63 | -73.6 | 0 | 0 | 0 | 113 | L182 L185 P186 N192 F222 | L182-F188 HydrophobicContact CD2-CE2 4.16Å; L182-F188 WeakPolarHBondContact O-CD2 3.36Å; L185-F188 HydrophobicContact CB-CD2 4.15Å; L185-F188 HydrophobicContact CD1-CD2 4.49Å; L185-F188 HydrophobicContact CD1-CE2 4.28Å; L185-F188 PolarHBondContact O-N 3.19Å; P186-F188 PolarHBondContact O-N 3.33Å; F188-N192 PolarHBondContact O-ND2 3.39Å; F188-N192 VanDerWaalsContact O-ND2 3.14Å; F188-F222 HydrophobicContact CB-CE2 4.47Å; F188-F222 HydrophobicContact CD1-CE2 4.33Å; F188-F222 HydrophobicContact CD1-CZ 4.25Å; F188-F222 HydrophobicContact CG-CE2 4.47Å; F188-F222 HydrophobicContact CG-CZ 4.28Å |
| 189 | R | 59.6 | Low | 60.3 | Low | 129 Ų | 129 | 90.8 Ų | 90.8 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -83.8 | -39.4 | 172 | -66 | 178.2 | 83.9 | 104.3 | -3.1 | 111.1 | P186 N192 | P186-R189 PolarHBondContact O-N 2.93Å; R189-N192 PolarHBondContact O-N 2.85Å |
| 190 | D | 52 | Low | 58.2 | Low | 87 Ų | 87 | 97.1 Ų | 97.1 | 47% | 0.465 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.5 | -34.3 | -175.4 | -72.8 | -12.6 | 0 | 0 | 0 | 113.5 | P186 N192 E193 D194 | P186-D190 PolarHBondContact O-N 3.33Å; D190-N192 PolarHBondContact O-N 2.78Å; D190-E193 PolarHBondContact O-N 3.43Å; D190-E193 VanDerWaalsContact O-N 3.09Å; D190-D194 PolarHBondContact O-N 3.01Å; D190-D194 VanDerWaalsContact O-N 3.11Å |
| 191 | E | 51 | Low | 56.3 | Low | 142 Ų | 142 | 102.4 Ų | 102.4 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.4 | -24.7 | 176.6 | -77.2 | -171.4 | 158.3 | 0 | 0 | 113.4 | ||
| 192 | N | 52.1 | Low | 53.8 | Low | 119 Ų | 119 | 108.7 Ų | 108.7 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -83.6 | -23.1 | 176.8 | -71 | -56.1 | 0 | 0 | 0 | 113 | F188 R189 D190 | F188-N192 PolarHBondContact O-ND2 3.39Å; F188-N192 VanDerWaalsContact O-ND2 3.14Å; R189-N192 PolarHBondContact O-N 2.85Å; D190-N192 PolarHBondContact O-N 2.78Å |
| 193 | E | 51 | Low | 51.9 | Low | 141 Ų | 141 | 113.4 Ų | 113.4 | 66% | 0.659 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -87 | -34.4 | 178.4 | -68.1 | -167.7 | 168.2 | 0 | 0 | 112.1 | D190 M195 H196 G197 | D190-E193 PolarHBondContact O-N 3.43Å; D190-E193 VanDerWaalsContact O-N 3.09Å; E193-M195 VanDerWaalsContact C-N 3.35Å; E193-M195 PolarHBondContact O-N 3.41Å; E193-H196 PolarHBondContact O-N 3.34Å; E193-G197 PolarHBondContact O-N 3.12Å |
| 194 | D | 47.8 | Very low | 49.8 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.1 | -20 | -175.9 | -78.3 | -25.3 | 0 | 0 | 0 | 114.3 | D190 H196 G197 | D190-D194 PolarHBondContact O-N 3.01Å; D190-D194 VanDerWaalsContact O-N 3.11Å; D194-H196 PolarHBondContact O-N 3.19Å; D194-G197 PolarHBondContact O-N 3.49Å |
| 195 | M | 45.4 | Very low | 48.1 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 78% | 0.783 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -9 | 177 | -165.8 | 146.1 | 59.3 | 0 | 0 | 113.6 | E193 | E193-M195 VanDerWaalsContact C-N 3.35Å; E193-M195 PolarHBondContact O-N 3.41Å |
| 196 | H | 49.8 | Very low | 46.2 | Very low | 134 Ų | 134 | 125 Ų | 125 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -117.1 | 0.1 | 174.3 | -73.3 | 65.1 | 0 | 0 | 0 | 113.8 | E193 D194 Q213 | E193-H196 PolarHBondContact O-N 3.34Å; D194-H196 PolarHBondContact O-N 3.19Å; H196-Q213 PolarHBondContact NE2-NE2 3.04Å; H196-Q213 PolarHBondContact NE2-OE1 3.35Å |
| 197 | G | 45.1 | Very low | 44.9 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -116.6 | 3.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | E193 D194 | E193-G197 PolarHBondContact O-N 3.12Å; D194-G197 PolarHBondContact O-N 3.49Å |
| 198 | G | 44.1 | Very low | 43.1 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | -134.6 | 70.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 199 | G | 34.8 | Very low | 41.5 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -153 | 103.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 200 | V | 39.4 | Very low | 40.3 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | trans | -55.6 | 140.8 | 178.4 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 201 | T | 37.7 | Very low | 39.1 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | trans | -51.9 | 129.8 | -178.9 | 17.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 202 | F | 30.1 | Very low | 37.9 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | trans | -146 | 126.8 | 146.1 | -168.2 | -105.5 | 0 | 0 | 0 | 111.1 | ||||
| 203 | H | 40.2 | Very low | 36.9 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | trans | -52.8 | 135.3 | -175.9 | -93.1 | -99.2 | 0 | 0 | 0 | 114.3 | ||||
| 204 | T | 27.5 | Very low | 36.1 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -155.2 | 126.6 | 139.2 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 205 | Y | 35.2 | Very low | 35.6 | Very low | 216 Ų | 216 | 136.2 Ų | 136.2 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -68 | 125.5 | 172.7 | -118.8 | -104.3 | 0 | 0 | 0 | 110.6 | ||||
| 206 | S | 33 | Very low | 35.4 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 159.1 | 130.3 | 130.8 | 53.8 | 0 | 0 | 0 | 0 | 113 | ||
| 207 | N | 37.9 | Very low | 35.6 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | 37.2 | 79.5 | 160.2 | -71.1 | -16.3 | 0 | 0 | 0 | 117.6 | ||||
| 208 | S | 29.3 | Very low | 36 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -89.5 | 107.7 | 164 | -54.3 | 0 | 0 | 0 | 0 | 109.5 | I210 | S208-I210 PolarHBondContact O-N 3.16Š| ||
| 209 | T | 28.9 | Very low | 36.7 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -39.3 | 127.9 | 157.5 | -27.5 | 0 | 0 | 0 | 0 | 108.8 | G211 | T209-G211 PolarHBondContact O-N 3.3Š| ||
| 210 | I | 33 | Very low | 38.7 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 77% | 0.774 | 73% | 0.732 | S | S | * | * | trans | -60.2 | 92.2 | 170 | -63.5 | 170.8 | 0 | 0 | 0 | 106.3 | S208 Y212 | S208-I210 PolarHBondContact O-N 3.16Å; I210-Y212 VanDerWaalsContact C-N 3.34Å; I210-Y212 HydrophobicContact CG2-CD2 4.29Å; I210-Y212 PolarHBondContact O-N 2.99Å | ||
| 211 | G | 27.4 | Very low | 40.6 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | trans | -70.2 | 97.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | T209 Q213 | T209-G211 PolarHBondContact O-N 3.3Å; G211-Q213 PolarHBondContact O-N 2.87Å | ||
| 212 | Y | 27.2 | Very low | 42.5 | Very low | 216 Ų | 216 | 128.3 Ų | 128.3 | 85% | 0.847 | 69% | 0.688 | S | S | * | * | trans | -54.4 | 96.7 | 154 | -100.2 | -100.9 | 0 | 0 | 0 | 106 | I210 Q214 | I210-Y212 VanDerWaalsContact C-N 3.34Å; I210-Y212 HydrophobicContact CG2-CD2 4.29Å; I210-Y212 PolarHBondContact O-N 2.99Å; Y212-Q214 PolarHBondContact O-N 3.42Å | ||
| 213 | Q | 29.6 | Very low | 44.8 | Very low | 141 Ų | 141 | 121 Ų | 121 | 66% | 0.659 | 66% | 0.655 | S | S | * | * | trans | -71.4 | 80.5 | 163.9 | -114.1 | -168.2 | -19.5 | 0 | 0 | 106.1 | H196 G211 S215 | H196-Q213 PolarHBondContact NE2-NE2 3.04Å; H196-Q213 PolarHBondContact NE2-OE1 3.35Å; G211-Q213 PolarHBondContact O-N 2.87Å; Q213-S215 PolarHBondContact O-N 3.26Å | ||
| 214 | Q | 34.9 | Very low | 46.9 | Very low | 172 Ų | 172 | 116.8 Ų | 116.8 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | trans | -70.9 | 76 | 159.6 | -166.7 | 171.4 | 20.3 | 0 | 0 | 105.5 | Y212 T216 | Y212-Q214 PolarHBondContact O-N 3.42Å; Q214-T216 PolarHBondContact O-N 2.96Å; Q214-T216 VanDerWaalsContact O-N 3.11Å | ||
| 215 | S | 36.5 | Very low | 49.7 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | trans | -55.8 | 116.9 | 169.2 | 43.3 | 0 | 0 | 0 | 0 | 106.8 | Q213 S217 | Q213-S215 PolarHBondContact O-N 3.26Å; S215-S217 VanDerWaalsContact C-N 3.31Å; S215-S217 PolarHBondContact O-N 3.48Å | ||
| 216 | T | 42.6 | Very low | 51.9 | Low | 93 Ų | 93 | 104.3 Ų | 104.3 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | trans | -70.2 | 84.8 | -175 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | Q214 F218 T219 | Q214-T216 PolarHBondContact O-N 2.96Å; Q214-T216 VanDerWaalsContact O-N 3.11Å; T216-F218 PolarHBondContact O-N 3.49Å; T216-T219 PolarHBondContact O-N 3.27Å; T216-T219 PolarHBondContact O-OG1 3.04Å; T216-T219 PolarHBondContact OG1-OG1 3.44Å | ||
| 217 | S | 54 | Low | 54.3 | Low | 66 Ų | 66 | 100.9 Ų | 100.9 | 46% | 0.462 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -48.2 | -26.2 | 174 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | S215 T219 D220 F223 | S215-S217 VanDerWaalsContact C-N 3.31Å; S215-S217 PolarHBondContact O-N 3.48Å; S217-T219 PolarHBondContact O-N 2.92Å; S217-T219 VanDerWaalsContact O-N 3.1Å; S217-D220 PolarHBondContact O-N 2.91Å; S217-F223 VanDerWaalsContact O-CD1 3.25Å; S217-F223 WeakPolarHBondContact O-CD1 3.24Å |
| 218 | F | 52.9 | Low | 56.8 | Low | 170 Ų | 170 | 98.2 Ų | 98.2 | 75% | 0.746 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -63.4 | -6.7 | 174.8 | -62.8 | -75.2 | 0 | 0 | 0 | 116.5 | T216 F223 | T216-F218 PolarHBondContact O-N 3.49Å; F218-F223 HydrophobicContact CD1-CE1 4.15Å; F218-F223 HydrophobicContact CE1-CE1 4.42Å |
| 219 | T | 59.7 | Low | 59.6 | Low | 98 Ų | 98 | 93 Ų | 93 | 60% | 0.601 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -110 | -6.4 | -179.9 | -30.7 | 0 | 0 | 0 | 0 | 112.9 | T216 S217 P221 | T216-T219 PolarHBondContact O-N 3.27Å; T216-T219 PolarHBondContact O-OG1 3.04Å; T216-T219 PolarHBondContact OG1-OG1 3.44Å; S217-T219 PolarHBondContact O-N 2.92Å; S217-T219 VanDerWaalsContact O-N 3.1Å; T219-P221 WeakPolarHBondContact O-CD 3.41Å |
| 220 | D | 75.2 | Confident | 62.4 | Low | 66 Ų | 66 | 86.8 Ų | 86.8 | 35% | 0.353 | 47% | 0.466 | S | S | . | . | trans | -71.1 | 120.5 | 176.7 | 172.3 | 31.7 | 0 | 0 | 0 | 110.1 | S217 F222 F223 I224 | S217-D220 PolarHBondContact O-N 2.91Å; D220-F222 PolarHBondContact O-N 3.33Å; D220-F222 PolarHBondContact OD1-N 3.47Å; D220-F223 HydrophobicContact CB-CB 3.97Å; D220-F223 PolarHBondContact O-N 3.14Å; D220-F223 PolarHBondContact OD2-N 3.04Å; D220-F223 VanDerWaalsContact OD2-N 3.1Å; D220-I224 WeakPolarHBondContact O-CG1 3.27Å; D220-I224 PolarHBondContact O-N 3.31Å | ||
| 221 | P | 80 | Confident | 65.1 | Low | 89 Ų | 89 | 84.4 Ų | 84.4 | 58% | 0.578 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -55.3 | -34.4 | 178.4 | -26.3 | 35.9 | 0 | 0 | 0 | 113.5 | T219 V225 | T219-P221 WeakPolarHBondContact O-CD 3.41Å; P221-V225 VanDerWaalsContact O-CG2 3.28Å; P221-V225 WeakPolarHBondContact O-CG2 3.22Å; P221-V225 PolarHBondContact O-N 2.83Å |
| 222 | F | 77.9 | Confident | 68.2 | Low | 48 Ų | 48 | 84.5 Ų | 84.5 | 21% | 0.211 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.4 | -48.9 | 179.2 | -69.2 | -69.4 | 0 | 0 | 0 | 111.4 | L182 E183 F188 D220 I224 V225 E226 | L182-F222 HydrophobicContact CB-CE1 3.79Å; L182-F222 HydrophobicContact CB-CZ 4.24Å; L182-F222 HydrophobicContact CD1-CE1 4.43Å; E183-F222 HydrophobicContact CG-CB 3.89Å; E183-F222 HydrophobicContact CG-CD1 3.71Å; E183-F222 HydrophobicContact CG-CE1 4.38Å; E183-F222 HydrophobicContact CG-CG 3.79Å; E183-F222 WeakPolarHBondContact OE1-CB 3.21Å; F188-F222 HydrophobicContact CB-CE2 4.47Å; F188-F222 HydrophobicContact CD1-CE2 4.33Å; F188-F222 HydrophobicContact CD1-CZ 4.25Å; F188-F222 HydrophobicContact CG-CE2 4.47Å; F188-F222 HydrophobicContact CG-CZ 4.28Å; D220-F222 PolarHBondContact O-N 3.33Å; D220-F222 PolarHBondContact OD1-N 3.47Å; F222-I224 VanDerWaalsContact C-N 3.31Å; F222-I224 PolarHBondContact O-N 2.96Å; F222-V225 PolarHBondContact O-N 2.63Å; F222-E226 PolarHBondContact O-N 3.04Å |
| 223 | F | 78.9 | Confident | 71.2 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 21% | 0.211 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56.2 | -41.3 | 172.5 | -177.2 | -102.1 | 0 | 0 | 0 | 113.2 | S217 F218 D220 T227 Y266 | S217-F223 VanDerWaalsContact O-CD1 3.25Å; S217-F223 WeakPolarHBondContact O-CD1 3.24Å; F218-F223 HydrophobicContact CD1-CE1 4.15Å; F218-F223 HydrophobicContact CE1-CE1 4.42Å; D220-F223 HydrophobicContact CB-CB 3.97Å; D220-F223 PolarHBondContact O-N 3.14Å; D220-F223 PolarHBondContact OD2-N 3.04Å; D220-F223 VanDerWaalsContact OD2-N 3.1Å; F223-T227 VanDerWaalsContact O-CB 3.28Å; F223-T227 WeakPolarHBondContact O-CB 3.25Å; F223-T227 PolarHBondContact O-N 2.89Å; F223-T227 PolarHBondContact O-OG1 3.38Å; F223-Y266 HydrophobicContact CE2-CE2 4.24Å |
| 224 | I | 84.1 | Confident | 74.1 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 177.4 | -67.2 | 166.5 | 0 | 0 | 0 | 110.5 | D220 F222 T227 L228 | D220-I224 WeakPolarHBondContact O-CG1 3.27Å; D220-I224 PolarHBondContact O-N 3.31Å; F222-I224 VanDerWaalsContact C-N 3.31Å; F222-I224 PolarHBondContact O-N 2.96Å; I224-T227 PolarHBondContact O-N 3.33Å; I224-L228 HydrophobicContact CG2-CD1 3.96Å; I224-L228 HydrophobicContact CG2-CG 4.43Å; I224-L228 WeakPolarHBondContact O-CB 3.44Å; I224-L228 VanDerWaalsContact O-CG 3.27Å; I224-L228 WeakPolarHBondContact O-CG 3.47Å; I224-L228 PolarHBondContact O-N 3.46Å |
| 225 | V | 85.4 | Confident | 76.9 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 28% | 0.279 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | -179.7 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | I175 S179 P221 F222 L228 C229 | I175-V225 HydrophobicContact CG2-CG1 3.67Å; S179-V225 VanDerWaalsContact OG-CG1 3.26Å; S179-V225 WeakPolarHBondContact OG-CG1 3.32Å; P221-V225 VanDerWaalsContact O-CG2 3.28Å; P221-V225 WeakPolarHBondContact O-CG2 3.22Å; P221-V225 PolarHBondContact O-N 2.83Å; F222-V225 PolarHBondContact O-N 2.63Å; V225-L228 PolarHBondContact O-N 3.2Å; V225-C229 WeakPolarHBondContact O-CB 3.41Å; V225-C229 PolarHBondContact O-N 2.91Å; V225-C229 PolarHBondContact O-SG 3.18Å |
| 226 | E | 81.9 | Confident | 79.5 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 175.6 | 177.9 | 163.8 | -142.9 | 0 | 0 | 111.4 | F222 L228 C229 I230 Y266 R294 | F222-E226 PolarHBondContact O-N 3.04Å; E226-L228 VanDerWaalsContact C-N 3.34Å; E226-L228 PolarHBondContact O-N 3.38Å; E226-C229 PolarHBondContact O-N 3.41Å; E226-I230 HydrophobicContact CG-CG1 4.37Å; E226-I230 WeakPolarHBondContact O-CG1 3.27Å; E226-I230 PolarHBondContact O-N 3.45Å; E226-Y266 HydrophobicContact CG-CD2 4.22Å; E226-R294 IonicContact OE1-CZ 2.72Å; E226-R294 IonicContact OE1-NH1 2.83Å; E226-R294 PolarHBondContact OE1-NH1 2.95Å; E226-R294 IonicContact OE1-NH2 3.54Å; E226-R294 PolarHBondContact OE1-NH2 2.98Å |
| 227 | T | 83.7 | Confident | 81.8 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 179.4 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | F223 I224 C229 I230 I231 Y266 | F223-T227 VanDerWaalsContact O-CB 3.28Å; F223-T227 WeakPolarHBondContact O-CB 3.25Å; F223-T227 PolarHBondContact O-N 2.89Å; F223-T227 PolarHBondContact O-OG1 3.38Å; I224-T227 PolarHBondContact O-N 3.33Å; T227-C229 PolarHBondContact O-N 3.05Å; T227-I230 PolarHBondContact O-N 3.41Å; T227-I231 HydrophobicContact CG2-CD1 3.94Å; T227-I231 VanDerWaalsContact O-CG1 3.26Å; T227-I231 WeakPolarHBondContact O-CG1 3.47Å; T227-I231 PolarHBondContact O-N 2.91Å; T227-Y266 PolarHBondContact OG1-OH 3.42Å |
| 228 | L | 89.4 | Confident | 83.6 | Confident | 107 Ų | 107 | 58.1 Ų | 58.1 | 56% | 0.56 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 177.3 | -71.2 | 174.5 | 0 | 0 | 0 | 112.2 | I224 V225 E226 I231 W232 | I224-L228 HydrophobicContact CG2-CD1 3.96Å; I224-L228 HydrophobicContact CG2-CG 4.43Å; I224-L228 WeakPolarHBondContact O-CB 3.44Å; I224-L228 VanDerWaalsContact O-CG 3.27Å; I224-L228 WeakPolarHBondContact O-CG 3.47Å; I224-L228 PolarHBondContact O-N 3.46Å; V225-L228 PolarHBondContact O-N 3.2Å; E226-L228 VanDerWaalsContact C-N 3.34Å; E226-L228 PolarHBondContact O-N 3.38Å; L228-I231 PolarHBondContact O-N 2.94Å; L228-W232 PolarHBondContact O-N 2.89Å |
| 229 | C | 88.3 | Confident | 85.5 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 176.3 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | V172 V225 E226 T227 W232 F233 | V172-C229 HydrophobicContact CG1-CB 4.17Å; V225-C229 WeakPolarHBondContact O-CB 3.41Å; V225-C229 PolarHBondContact O-N 2.91Å; V225-C229 PolarHBondContact O-SG 3.18Å; E226-C229 PolarHBondContact O-N 3.41Å; T227-C229 PolarHBondContact O-N 3.05Å; C229-W232 PolarHBondContact O-N 2.9Å; C229-F233 WeakPolarHBondContact O-CD2 3.48Å; C229-F233 WeakPolarHBondContact O-CG 3.35Å; C229-F233 PolarHBondContact O-N 3.45Å |
| 230 | I | 86.9 | Confident | 87 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67 | -38.7 | 178 | -66.9 | -61 | 0 | 0 | 0 | 111.9 | E226 T227 W232 F233 S234 Y266 F267 | E226-I230 HydrophobicContact CG-CG1 4.37Å; E226-I230 WeakPolarHBondContact O-CG1 3.27Å; E226-I230 PolarHBondContact O-N 3.45Å; T227-I230 PolarHBondContact O-N 3.41Å; I230-W232 VanDerWaalsContact C-N 3.32Å; I230-W232 PolarHBondContact O-N 3.35Å; I230-F233 HydrophobicContact CD1-CD2 4.39Å; I230-F233 PolarHBondContact O-N 3.19Å; I230-S234 VanDerWaalsContact O-CB 3.27Å; I230-S234 WeakPolarHBondContact O-CB 3.18Å; I230-S234 PolarHBondContact O-N 3.42Å; I230-S234 PolarHBondContact O-OG 3.22Å; I230-Y266 HydrophobicContact CB-CD1 4.37Å; I230-Y266 HydrophobicContact CB-CG 4.3Å; I230-Y266 HydrophobicContact CG1-CD1 4.45Å; I230-Y266 HydrophobicContact CG1-CD2 4.17Å; I230-Y266 HydrophobicContact CG1-CG 3.89Å; I230-Y266 HydrophobicContact CG2-CD1 3.72Å; I230-Y266 HydrophobicContact CG2-CE1 4.35Å; I230-Y266 HydrophobicContact CG2-CG 4.01Å; I230-F267 HydrophobicContact CG2-CE2 4.18Å |
| 231 | I | 91.2 | Very high | 87.8 | Confident | 101 Ų | 101 | 46.8 Ų | 46.8 | 52% | 0.518 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59 | -46.8 | 173.5 | -71.8 | 166.7 | 0 | 0 | 0 | 110 | T227 L228 S234 F235 | T227-I231 HydrophobicContact CG2-CD1 3.94Å; T227-I231 VanDerWaalsContact O-CG1 3.26Å; T227-I231 WeakPolarHBondContact O-CG1 3.47Å; T227-I231 PolarHBondContact O-N 2.91Å; L228-I231 PolarHBondContact O-N 2.94Å; I231-S234 PolarHBondContact O-N 3.39Å; I231-F235 WeakPolarHBondContact O-CB 3.27Å; I231-F235 PolarHBondContact O-N 3.46Å |
| 232 | W | 91.9 | Very high | 88.4 | Confident | 70 Ų | 70 | 48.6 Ų | 48.6 | 27% | 0.265 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 178.1 | -177.5 | -93.3 | 0 | 0 | 0 | 112.3 | V168 V172 L228 C229 I230 S234 F235 E236 | V168-W232 HydrophobicContact CB-CZ2 4.34Å; V168-W232 HydrophobicContact CG1-CH2 3.84Å; V168-W232 HydrophobicContact CG1-CZ2 3.67Å; V172-W232 HydrophobicContact CB-CG 4.45Å; V172-W232 HydrophobicContact CG1-CB 4.11Å; V172-W232 HydrophobicContact CG1-CG 4.06Å; V172-W232 HydrophobicContact CG2-CD2 4.42Å; V172-W232 HydrophobicContact CG2-CG 4.12Å; L228-W232 PolarHBondContact O-N 2.89Å; C229-W232 PolarHBondContact O-N 2.9Å; I230-W232 VanDerWaalsContact C-N 3.32Å; I230-W232 PolarHBondContact O-N 3.35Å; W232-S234 VanDerWaalsContact C-N 3.32Å; W232-S234 PolarHBondContact O-N 2.7Å; W232-F235 WeakPolarHBondContact O-CB 3.36Å; W232-F235 PolarHBondContact O-N 3.22Å; W232-E236 PolarHBondContact NE1-OE2 2.72Å; W232-E236 WeakPolarHBondContact O-CB 3.26Å; W232-E236 PolarHBondContact O-N 3.24Å |
| 233 | F | 90.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -37.6 | 177.4 | -68.5 | -30.6 | 0 | 0 | 0 | 113.2 | V172 I173 C229 I230 F237 I263 | V172-F233 HydrophobicContact CG1-CE1 4.09Å; V172-F233 HydrophobicContact CG1-CZ 4.25Å; I173-F233 HydrophobicContact CB-CZ 4.48Å; I173-F233 HydrophobicContact CG1-CE1 3.63Å; I173-F233 HydrophobicContact CG1-CZ 3.77Å; C229-F233 WeakPolarHBondContact O-CD2 3.48Å; C229-F233 WeakPolarHBondContact O-CG 3.35Å; C229-F233 PolarHBondContact O-N 3.45Å; I230-F233 HydrophobicContact CD1-CD2 4.39Å; I230-F233 PolarHBondContact O-N 3.19Å; F233-F237 VanDerWaalsContact O-CB 3.26Å; F233-F237 WeakPolarHBondContact O-CB 3.21Å; F233-F237 PolarHBondContact O-N 3.06Å; F233-I263 HydrophobicContact CB-CG2 3.56Å |
| 234 | S | 90.9 | Very high | 89.4 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -42.7 | 176 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | I230 I231 W232 F237 L238 | I230-S234 VanDerWaalsContact O-CB 3.27Å; I230-S234 WeakPolarHBondContact O-CB 3.18Å; I230-S234 PolarHBondContact O-N 3.42Å; I230-S234 PolarHBondContact O-OG 3.22Å; I231-S234 PolarHBondContact O-N 3.39Å; W232-S234 VanDerWaalsContact C-N 3.32Å; W232-S234 PolarHBondContact O-N 2.7Å; S234-F237 PolarHBondContact O-N 2.91Å; S234-L238 WeakPolarHBondContact O-CB 3.45Å; S234-L238 WeakPolarHBondContact O-CG 3.39Å; S234-L238 PolarHBondContact O-N 3.26Å |
| 235 | F | 93.7 | Very high | 89.5 | Confident | 93 Ų | 93 | 43.6 Ų | 43.6 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59 | -51.2 | 173.9 | 166.5 | -104.5 | 0 | 0 | 0 | 111.6 | F153 I231 W232 F237 L238 V239 | F153-F235 HydrophobicContact CE1-CE1 4.02Å; F153-F235 AromaticContact CZ-CE1 3.73Å; F153-F235 HydrophobicContact CZ-CE1 3.73Å; F153-F235 HydrophobicContact CZ-CZ 4.04Å; I231-F235 WeakPolarHBondContact O-CB 3.27Å; I231-F235 PolarHBondContact O-N 3.46Å; W232-F235 WeakPolarHBondContact O-CB 3.36Å; W232-F235 PolarHBondContact O-N 3.22Å; F235-F237 VanDerWaalsContact C-N 3.34Å; F235-F237 PolarHBondContact O-N 2.79Å; F235-L238 PolarHBondContact O-N 3.22Å; F235-V239 HydrophobicContact CD2-CG2 3.89Å; F235-V239 HydrophobicContact CE1-CG2 4.34Å; F235-V239 HydrophobicContact CE2-CG2 3.49Å; F235-V239 VanDerWaalsContact CE2-CG2 3.49Å; F235-V239 HydrophobicContact CG-CG2 4.47Å; F235-V239 HydrophobicContact CZ-CG2 3.75Å; F235-V239 WeakPolarHBondContact O-CB 3.43Å; F235-V239 VanDerWaalsContact O-CG2 3.3Å; F235-V239 WeakPolarHBondContact O-CG2 3.39Å; F235-V239 PolarHBondContact O-N 3.02Å |
| 236 | E | 91.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 177.2 | -90.6 | -155.6 | 105 | 0 | 0 | 112.5 | F153 S169 W232 R240 | F153-E236 HydrophobicContact CD1-CG 4.27Å; F153-E236 HydrophobicContact CE1-CG 4.02Å; S169-E236 WeakPolarHBondContact CB-OE1 3.41Å; S169-E236 PolarHBondContact OG-OE1 3.01Å; S169-E236 PolarHBondContact OG-OE2 3.43Å; W232-E236 PolarHBondContact NE1-OE2 2.72Å; W232-E236 WeakPolarHBondContact O-CB 3.26Å; W232-E236 PolarHBondContact O-N 3.24Å; E236-R240 WeakPolarHBondContact O-CG 3.34Å; E236-R240 PolarHBondContact O-N 3.22Å; E236-R240 VanDerWaalsContact O-N 3.14Å; E236-R240 IonicContact OE1-CZ 3.57Å; E236-R240 IonicContact OE1-NH1 3.42Å; E236-R240 PolarHBondContact OE1-NH1 3.34Å; E236-R240 IonicContact OE1-NH2 2.76Å; E236-R240 PolarHBondContact OE1-NH2 3.12Å |
| 237 | F | 90.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -48.8 | 176.2 | 172.2 | -100.5 | 0 | 0 | 0 | 112 | F233 S234 F235 R240 F241 F250 F251 D259 I260 I263 | F233-F237 VanDerWaalsContact O-CB 3.26Å; F233-F237 WeakPolarHBondContact O-CB 3.21Å; F233-F237 PolarHBondContact O-N 3.06Å; S234-F237 PolarHBondContact O-N 2.91Å; F235-F237 VanDerWaalsContact C-N 3.34Å; F235-F237 PolarHBondContact O-N 2.79Å; F237-R240 PolarHBondContact O-N 3.4Å; F237-F241 WeakPolarHBondContact O-CB 3.35Å; F237-F241 PolarHBondContact O-N 3.17Å; F237-F250 HydrophobicContact CD2-CE1 4.2Å; F237-F250 HydrophobicContact CD2-CZ 4.15Å; F237-F250 AromaticContact CE2-CE1 3.48Å; F237-F250 HydrophobicContact CE2-CE1 3.48Å; F237-F250 VanDerWaalsContact CE2-CE1 3.48Å; F237-F250 AromaticContact CE2-CZ 3.89Å; F237-F250 HydrophobicContact CE2-CZ 3.89Å; F237-F250 HydrophobicContact CZ-CE1 4Å; F237-F251 HydrophobicContact CZ-CE1 4.29Å; F237-D259 HydrophobicContact CD2-CB 4.09Å; F237-I260 HydrophobicContact CD2-CG1 3.96Å; F237-I260 HydrophobicContact CE2-CD1 3.7Å; F237-I260 HydrophobicContact CE2-CG1 3.19Å; F237-I260 HydrophobicContact CZ-CD1 3.92Å; F237-I260 HydrophobicContact CZ-CG1 3.56Å; F237-I263 HydrophobicContact CD1-CD1 4.41Å |
| 238 | L | 92.6 | Very high | 90 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | -178.6 | -73.3 | 172.8 | 0 | 0 | 0 | 111.7 | S234 F235 R240 F241 F242 | S234-L238 WeakPolarHBondContact O-CB 3.45Å; S234-L238 WeakPolarHBondContact O-CG 3.39Å; S234-L238 PolarHBondContact O-N 3.26Å; F235-L238 PolarHBondContact O-N 3.22Å; L238-R240 VanDerWaalsContact C-N 3.31Å; L238-R240 PolarHBondContact O-N 2.82Å; L238-F241 PolarHBondContact O-N 3.38Å; L238-F242 HydrophobicContact CB-CD2 4.38Å; L238-F242 HydrophobicContact CB-CE2 4.16Å; L238-F242 HydrophobicContact CD2-CE2 4.12Å; L238-F242 WeakPolarHBondContact O-CD2 3.48Å; L238-F242 PolarHBondContact O-N 3.27Å |
| 239 | V | 92.4 | Very high | 89.8 | Confident | 28 Ų | 28 | 45 Ų | 45 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -45.2 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | V149 F153 F235 F242 A243 | V149-V239 HydrophobicContact CG1-CG1 3.32Å; F153-V239 HydrophobicContact CD2-CG1 3.63Å; F153-V239 HydrophobicContact CE2-CG1 3.65Å; F153-V239 HydrophobicContact CG-CG1 4.1Å; F153-V239 HydrophobicContact CZ-CG1 4.12Å; F235-V239 HydrophobicContact CD2-CG2 3.89Å; F235-V239 HydrophobicContact CE1-CG2 4.34Å; F235-V239 HydrophobicContact CE2-CG2 3.49Å; F235-V239 VanDerWaalsContact CE2-CG2 3.49Å; F235-V239 HydrophobicContact CG-CG2 4.47Å; F235-V239 HydrophobicContact CZ-CG2 3.75Å; F235-V239 WeakPolarHBondContact O-CB 3.43Å; F235-V239 VanDerWaalsContact O-CG2 3.3Å; F235-V239 WeakPolarHBondContact O-CG2 3.39Å; F235-V239 PolarHBondContact O-N 3.02Å; V239-F242 PolarHBondContact O-N 3.11Å; V239-A243 WeakPolarHBondContact O-CB 3.5Å; V239-A243 PolarHBondContact O-N 3.3Å |
| 240 | R | 90.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 45 Ų | 45 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.8 | -69.9 | -174.5 | -174.3 | 91.9 | 10.8 | 111.8 | W150 F153 E154 E236 F237 L238 F242 A243 C244 F250 D259 | W150-R240 HydrophobicContact CZ3-CB 4.25Å; W150-R240 WeakPolarHBondContact CZ3-O 3.28Å; F153-R240 HydrophobicContact CB-CG 4.13Å; F153-R240 PolarHBondContact O-NE 2.98Å; F153-R240 PolarHBondContact O-NH2 3.3Å; E154-R240 IonicContact OE2-NE 3.53Å; E236-R240 WeakPolarHBondContact O-CG 3.34Å; E236-R240 PolarHBondContact O-N 3.22Å; E236-R240 VanDerWaalsContact O-N 3.14Å; E236-R240 IonicContact OE1-CZ 3.57Å; E236-R240 IonicContact OE1-NH1 3.42Å; E236-R240 PolarHBondContact OE1-NH1 3.34Å; E236-R240 IonicContact OE1-NH2 2.76Å; E236-R240 PolarHBondContact OE1-NH2 3.12Å; F237-R240 PolarHBondContact O-N 3.4Å; L238-R240 VanDerWaalsContact C-N 3.31Å; L238-R240 PolarHBondContact O-N 2.82Å; R240-F242 VanDerWaalsContact C-N 3.32Å; R240-F242 PolarHBondContact O-N 3Å; R240-A243 PolarHBondContact O-N 3.46Å; R240-C244 VanDerWaalsContact O-CB 3.27Å; R240-C244 WeakPolarHBondContact O-CB 3.48Å; R240-C244 PolarHBondContact O-N 3.17Å; R240-F250 HydrophobicContact CB-CE2 3.85Å; R240-F250 HydrophobicContact CB-CZ 4.14Å; R240-D259 IonicContact NH1-OD2 2.8Å |
| 241 | F | 92.3 | Very high | 89.7 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 177.3 | 176 | -106.9 | 0 | 0 | 0 | 112.1 | F237 L238 C244 K247 F250 F251 | F237-F241 WeakPolarHBondContact O-CB 3.35Å; F237-F241 PolarHBondContact O-N 3.17Å; L238-F241 PolarHBondContact O-N 3.38Å; F241-C244 PolarHBondContact O-SG 3.17Å; F241-K247 HydrophobicContact CD2-CD 4.44Å; F241-K247 HydrophobicContact CE2-CB 4.22Å; F241-K247 HydrophobicContact CE2-CD 4.02Å; F241-K247 HydrophobicContact CE2-CG 4.41Å; F241-K247 HydrophobicContact CZ-CD 4.26Å; F241-K247 WeakPolarHBondContact O-CD 3.37Å; F241-K247 VanDerWaalsContact O-CE 3.29Å; F241-K247 WeakPolarHBondContact O-CE 3.36Å; F241-K247 PolarHBondContact O-NZ 3.08Å; F241-F250 HydrophobicContact CB-CE1 4.06Å; F241-F250 HydrophobicContact CB-CZ 4.18Å; F241-F250 AromaticContact CD2-CD1 3.85Å; F241-F250 HydrophobicContact CD2-CD1 3.85Å; F241-F250 HydrophobicContact CD2-CE1 4.01Å; F241-F251 HydrophobicContact CD2-CE2 4.18Å; F241-F251 HydrophobicContact CD2-CZ 4.09Å; F241-F251 AromaticContact CE2-CE2 3.55Å; F241-F251 HydrophobicContact CE2-CE2 3.55Å; F241-F251 AromaticContact CE2-CZ 3.77Å; F241-F251 HydrophobicContact CE2-CZ 3.77Å; F241-F251 HydrophobicContact CZ-CE2 4.41Å |
| 242 | F | 91.8 | Very high | 89.4 | Confident | 127 Ų | 127 | 50.4 Ų | 50.4 | 56% | 0.557 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -76.3 | -35 | 178.4 | -67.8 | -58 | 0 | 0 | 0 | 112.9 | L238 V239 R240 K247 | L238-F242 HydrophobicContact CB-CD2 4.38Å; L238-F242 HydrophobicContact CB-CE2 4.16Å; L238-F242 HydrophobicContact CD2-CE2 4.12Å; L238-F242 WeakPolarHBondContact O-CD2 3.48Å; L238-F242 PolarHBondContact O-N 3.27Å; V239-F242 PolarHBondContact O-N 3.11Å; R240-F242 VanDerWaalsContact C-N 3.32Å; R240-F242 PolarHBondContact O-N 3Å; F242-K247 PolarHBondContact O-NZ 3.13Å |
| 243 | A | 90.1 | Very high | 89 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -82.8 | -13.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P141 V149 W150 V239 R240 | P141-A243 WeakPolarHBondContact CG-O 3.24Å; V149-A243 HydrophobicContact CB-CB 4.14Å; V149-A243 HydrophobicContact CG1-CB 3.81Å; W150-A243 HydrophobicContact CB-CB 4.18Å; W150-A243 HydrophobicContact CE3-CB 4.19Å; V239-A243 WeakPolarHBondContact O-CB 3.5Å; V239-A243 PolarHBondContact O-N 3.3Å; R240-A243 PolarHBondContact O-N 3.46Å |
| 244 | C | 88.3 | Confident | 88.6 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | trans | -68.7 | 147.8 | -175.8 | 74.9 | 0 | 0 | 0 | 0 | 113.3 | W150 R240 F241 S246 K247 F250 | W150-C244 HydrophobicContact CE3-CB 3.97Å; W150-C244 HydrophobicContact CH2-CB 3.75Å; W150-C244 HydrophobicContact CZ3-CB 3.34Å; R240-C244 VanDerWaalsContact O-CB 3.27Å; R240-C244 WeakPolarHBondContact O-CB 3.48Å; R240-C244 PolarHBondContact O-N 3.17Å; F241-C244 PolarHBondContact O-SG 3.17Å; C244-S246 PolarHBondContact SG-O 3.48Å; C244-S246 VanDerWaalsContact SG-O 3.38Å; C244-K247 PolarHBondContact O-NZ 2.94Å; C244-K247 WeakPolarHBondContact SG-CD 3.37Å; C244-K247 PolarHBondContact SG-NZ 2.98Å; C244-F250 HydrophobicContact CB-CB 4.4Å; C244-F250 HydrophobicContact CB-CD2 3.71Å; C244-F250 HydrophobicContact CB-CE2 4.44Å; C244-F250 HydrophobicContact CB-CG 4.37Å | ||
| 245 | P | 86.7 | Confident | 88.2 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -67.3 | -37.3 | -178.4 | 27.2 | -37 | 0 | 0 | 0 | 113.3 | P139 P141 | P139-P245 HydrophobicContact CG-CG 4.33Å; P139-P245 WeakPolarHBondContact O-CG 3.22Å; P141-P245 HydrophobicContact CB-CB 4.33Å |
| 246 | S | 87.4 | Confident | 87.9 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | trans | -131.8 | 125.5 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 110 | C244 G249 F250 | C244-S246 PolarHBondContact SG-O 3.48Å; C244-S246 VanDerWaalsContact SG-O 3.38Å; S246-G249 PolarHBondContact OG-N 3.39Å; S246-F250 WeakPolarHBondContact O-CB 3.36Å; S246-F250 PolarHBondContact O-N 2.94Å; S246-F250 VanDerWaalsContact O-N 3.09Å | ||
| 247 | K | 88.6 | Confident | 87.6 | Confident | 81 Ų | 81 | 55.3 Ų | 55.3 | 35% | 0.352 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.1 | -36.8 | 178.7 | -53.5 | -46.5 | -179 | -154.1 | 0 | 111.8 | F241 F242 C244 F250 F251 | F241-K247 HydrophobicContact CD2-CD 4.44Å; F241-K247 HydrophobicContact CE2-CB 4.22Å; F241-K247 HydrophobicContact CE2-CD 4.02Å; F241-K247 HydrophobicContact CE2-CG 4.41Å; F241-K247 HydrophobicContact CZ-CD 4.26Å; F241-K247 WeakPolarHBondContact O-CD 3.37Å; F241-K247 VanDerWaalsContact O-CE 3.29Å; F241-K247 WeakPolarHBondContact O-CE 3.36Å; F241-K247 PolarHBondContact O-NZ 3.08Å; F242-K247 PolarHBondContact O-NZ 3.13Å; C244-K247 PolarHBondContact O-NZ 2.94Å; C244-K247 WeakPolarHBondContact SG-CD 3.37Å; C244-K247 PolarHBondContact SG-NZ 2.98Å; K247-F250 WeakPolarHBondContact O-CB 3.27Å; K247-F250 PolarHBondContact O-N 2.96Å; K247-F251 VanDerWaalsContact O-CD2 3.24Å; K247-F251 WeakPolarHBondContact O-CD2 3.41Å |
| 248 | A | 86.2 | Confident | 87.3 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 60% | 0.603 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.2 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F250 F251 T252 | A248-F250 PolarHBondContact O-N 3.15Å; A248-F251 PolarHBondContact O-N 3Å; A248-T252 PolarHBondContact O-N 3.42Å; A248-T252 PolarHBondContact O-OG1 3.19Å |
| 249 | G | 84 | Confident | 87 | Confident | 38 Ų | 38 | 52 Ų | 52 | 39% | 0.392 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.2 | -28.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | S246 T252 N253 | S246-G249 PolarHBondContact OG-N 3.39Å; G249-T252 PolarHBondContact O-N 3.19Å; G249-N253 PolarHBondContact O-N 3.35Å |
| 250 | F | 86.8 | Confident | 86.7 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.1 | -176.7 | -93.6 | 0 | 0 | 0 | 112.5 | F237 R240 F241 C244 S246 K247 A248 N253 N256 | F237-F250 HydrophobicContact CD2-CE1 4.2Å; F237-F250 HydrophobicContact CD2-CZ 4.15Å; F237-F250 AromaticContact CE2-CE1 3.48Å; F237-F250 HydrophobicContact CE2-CE1 3.48Å; F237-F250 VanDerWaalsContact CE2-CE1 3.48Å; F237-F250 AromaticContact CE2-CZ 3.89Å; F237-F250 HydrophobicContact CE2-CZ 3.89Å; F237-F250 HydrophobicContact CZ-CE1 4Å; R240-F250 HydrophobicContact CB-CE2 3.85Å; R240-F250 HydrophobicContact CB-CZ 4.14Å; F241-F250 HydrophobicContact CB-CE1 4.06Å; F241-F250 HydrophobicContact CB-CZ 4.18Å; F241-F250 AromaticContact CD2-CD1 3.85Å; F241-F250 HydrophobicContact CD2-CD1 3.85Å; F241-F250 HydrophobicContact CD2-CE1 4.01Å; C244-F250 HydrophobicContact CB-CB 4.4Å; C244-F250 HydrophobicContact CB-CD2 3.71Å; C244-F250 HydrophobicContact CB-CE2 4.44Å; C244-F250 HydrophobicContact CB-CG 4.37Å; S246-F250 WeakPolarHBondContact O-CB 3.36Å; S246-F250 PolarHBondContact O-N 2.94Å; S246-F250 VanDerWaalsContact O-N 3.09Å; K247-F250 WeakPolarHBondContact O-CB 3.27Å; K247-F250 PolarHBondContact O-N 2.96Å; A248-F250 PolarHBondContact O-N 3.15Å; F250-N253 PolarHBondContact O-N 3.32Å; F250-N256 HydrophobicContact CD1-CB 4.22Å; F250-N256 HydrophobicContact CD2-CB 4.38Å; F250-N256 WeakPolarHBondContact CD2-ND2 3.26Å; F250-N256 HydrophobicContact CE1-CB 3.92Å; F250-N256 HydrophobicContact CE2-CB 4.05Å; F250-N256 WeakPolarHBondContact CE2-ND2 3.38Å; F250-N256 WeakPolarHBondContact CE2-OD1 3.3Å; F250-N256 HydrophobicContact CG-CB 4.45Å; F250-N256 HydrophobicContact CZ-CB 3.81Å; F250-N256 VanDerWaalsContact O-CB 3.27Å; F250-N256 WeakPolarHBondContact O-CB 3.44Å; F250-N256 PolarHBondContact O-ND2 2.9Å |
| 251 | F | 86.3 | Confident | 86.3 | Confident | 102 Ų | 102 | 54 Ų | 54 | 45% | 0.447 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -78.3 | -19.1 | 178.7 | -70.9 | -69.7 | 0 | 0 | 0 | 113.9 | F237 F241 K247 A248 N253 I257 I260 | F237-F251 HydrophobicContact CZ-CE1 4.29Å; F241-F251 HydrophobicContact CD2-CE2 4.18Å; F241-F251 HydrophobicContact CD2-CZ 4.09Å; F241-F251 AromaticContact CE2-CE2 3.55Å; F241-F251 HydrophobicContact CE2-CE2 3.55Å; F241-F251 AromaticContact CE2-CZ 3.77Å; F241-F251 HydrophobicContact CE2-CZ 3.77Å; F241-F251 HydrophobicContact CZ-CE2 4.41Å; K247-F251 VanDerWaalsContact O-CD2 3.24Å; K247-F251 WeakPolarHBondContact O-CD2 3.41Å; A248-F251 PolarHBondContact O-N 3Å; F251-N253 VanDerWaalsContact C-N 3.34Å; F251-I257 WeakPolarHBondContact O-CD1 3.2Å; F251-I257 WeakPolarHBondContact O-CG1 3.48Å; F251-I260 HydrophobicContact CD1-CD1 3.62Å; F251-I260 HydrophobicContact CE1-CD1 3.6Å |
| 252 | T | 84.5 | Confident | 85.6 | Confident | 117 Ų | 117 | 51.7 Ų | 51.7 | 72% | 0.718 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -78.1 | -22.9 | 172.1 | -48.8 | 0 | 0 | 0 | 0 | 112.1 | A248 G249 I254 | A248-T252 PolarHBondContact O-N 3.42Å; A248-T252 PolarHBondContact O-OG1 3.19Å; G249-T252 PolarHBondContact O-N 3.19Å; T252-I254 PolarHBondContact O-N 3.44Å |
| 253 | N | 83.2 | Confident | 85.1 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -73.2 | 120.5 | -178.9 | -174.4 | -60.6 | 0 | 0 | 0 | 111.6 | G249 F250 F251 M255 N256 I257 | G249-N253 PolarHBondContact O-N 3.35Å; F250-N253 PolarHBondContact O-N 3.32Å; F251-N253 VanDerWaalsContact C-N 3.34Å; N253-M255 PolarHBondContact O-N 2.9Å; N253-M255 VanDerWaalsContact O-N 3.17Å; N253-M255 WeakPolarHBondContact OD1-CB 3.08Å; N253-M255 VanDerWaalsContact OD1-CG 3.32Å; N253-M255 WeakPolarHBondContact OD1-CG 3.25Å; N253-M255 PolarHBondContact OD1-N 3.48Å; N253-N256 PolarHBondContact O-N 3.06Å; N253-N256 VanDerWaalsContact O-N 3.08Å; N253-I257 PolarHBondContact O-N 3.27Å; N253-I257 VanDerWaalsContact O-N 3.11Å |
| 254 | I | 83.2 | Confident | 84.7 | Confident | 111 Ų | 111 | 49.5 Ų | 49.5 | 57% | 0.569 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -56.4 | -34.2 | -177.3 | -168.6 | 64.1 | 0 | 0 | 0 | 113.4 | T252 N256 I257 I258 | T252-I254 PolarHBondContact O-N 3.44Å; I254-N256 VanDerWaalsContact C-N 3.34Å; I254-N256 PolarHBondContact O-N 2.88Å; I254-I257 PolarHBondContact O-N 2.9Å; I254-I258 HydrophobicContact CG1-CD1 4.39Å; I254-I258 WeakPolarHBondContact O-CG1 3.42Å; I254-I258 PolarHBondContact O-N 3.24Å |
| 255 | M | 82 | Confident | 84.1 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | -179.8 | -46.3 | -51.5 | -73.9 | 0 | 0 | 110.7 | N253 I258 D259 R300 | N253-M255 PolarHBondContact O-N 2.9Å; N253-M255 VanDerWaalsContact O-N 3.17Å; N253-M255 WeakPolarHBondContact OD1-CB 3.08Å; N253-M255 VanDerWaalsContact OD1-CG 3.32Å; N253-M255 WeakPolarHBondContact OD1-CG 3.25Å; N253-M255 PolarHBondContact OD1-N 3.48Å; M255-I258 WeakPolarHBondContact O-CB 3.36Å; M255-I258 PolarHBondContact O-N 3.41Å; M255-D259 PolarHBondContact O-N 3.41Å; M255-D259 VanDerWaalsContact O-N 3.17Å; M255-R300 HydrophobicContact CB-CG 4.46Å; M255-R300 HydrophobicContact CE-CB 3.67Å; M255-R300 HydrophobicContact CE-CG 3.59Å; M255-R300 PolarHBondContact O-NH1 3.37Å |
| 256 | N | 86.6 | Confident | 83.6 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.1 | -29.6 | 178.1 | -60 | -33.9 | 0 | 0 | 0 | 112 | F250 N253 I254 D259 I260 R300 | F250-N256 HydrophobicContact CD1-CB 4.22Å; F250-N256 HydrophobicContact CD2-CB 4.38Å; F250-N256 WeakPolarHBondContact CD2-ND2 3.26Å; F250-N256 HydrophobicContact CE1-CB 3.92Å; F250-N256 HydrophobicContact CE2-CB 4.05Å; F250-N256 WeakPolarHBondContact CE2-ND2 3.38Å; F250-N256 WeakPolarHBondContact CE2-OD1 3.3Å; F250-N256 HydrophobicContact CG-CB 4.45Å; F250-N256 HydrophobicContact CZ-CB 3.81Å; F250-N256 VanDerWaalsContact O-CB 3.27Å; F250-N256 WeakPolarHBondContact O-CB 3.44Å; F250-N256 PolarHBondContact O-ND2 2.9Å; N253-N256 PolarHBondContact O-N 3.06Å; N253-N256 VanDerWaalsContact O-N 3.08Å; I254-N256 VanDerWaalsContact C-N 3.34Å; I254-N256 PolarHBondContact O-N 2.88Å; N256-D259 WeakPolarHBondContact O-CB 3.33Å; N256-D259 PolarHBondContact O-N 2.91Å; N256-I260 WeakPolarHBondContact O-CG1 3.39Å; N256-I260 PolarHBondContact O-N 2.86Å; N256-I260 VanDerWaalsContact O-N 3.15Å; N256-R300 PolarHBondContact OD1-NH2 3.26Å |
| 257 | I | 85.8 | Confident | 83.2 | Confident | 65 Ų | 65 | 50.9 Ų | 50.9 | 33% | 0.333 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 171.2 | -63.5 | 172.3 | 0 | 0 | 0 | 110.2 | F251 N253 I254 D259 I260 V261 | F251-I257 WeakPolarHBondContact O-CD1 3.2Å; F251-I257 WeakPolarHBondContact O-CG1 3.48Å; N253-I257 PolarHBondContact O-N 3.27Å; N253-I257 VanDerWaalsContact O-N 3.11Å; I254-I257 PolarHBondContact O-N 2.9Å; I257-D259 PolarHBondContact O-N 3.21Å; I257-I260 PolarHBondContact O-N 2.83Å; I257-I260 VanDerWaalsContact O-N 3.1Å; I257-V261 HydrophobicContact CG2-CG2 4.29Å; I257-V261 WeakPolarHBondContact O-CG2 3.01Å; I257-V261 PolarHBondContact O-N 3.25Å |
| 258 | I | 84.5 | Confident | 82.6 | Confident | 32 Ų | 32 | 51 Ų | 51 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.2 | -38.9 | 174.5 | -67.7 | 158.7 | 0 | 0 | 0 | 110.2 | I254 M255 I260 V261 A262 I296 R297 | I254-I258 HydrophobicContact CG1-CD1 4.39Å; I254-I258 WeakPolarHBondContact O-CG1 3.42Å; I254-I258 PolarHBondContact O-N 3.24Å; M255-I258 WeakPolarHBondContact O-CB 3.36Å; M255-I258 PolarHBondContact O-N 3.41Å; I258-I260 PolarHBondContact O-N 3.41Å; I258-V261 PolarHBondContact O-N 3.09Å; I258-A262 WeakPolarHBondContact O-CB 3.29Å; I258-A262 PolarHBondContact O-N 3.2Å; I258-A262 VanDerWaalsContact O-N 3.15Å; I258-I296 HydrophobicContact CD1-CG2 3.75Å; I258-I296 HydrophobicContact CG1-CG2 4.17Å; I258-I296 HydrophobicContact CG2-CB 4.31Å; I258-I296 HydrophobicContact CG2-CG2 4.13Å; I258-R297 HydrophobicContact CG2-CG 3.77Å |
| 259 | D | 85.5 | Confident | 81.8 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 177.8 | -85.3 | 0.6 | 0 | 0 | 0 | 114.2 | F237 R240 M255 N256 I257 R297 R300 | F237-D259 HydrophobicContact CD2-CB 4.09Å; R240-D259 IonicContact NH1-OD2 2.8Å; M255-D259 PolarHBondContact O-N 3.41Å; M255-D259 VanDerWaalsContact O-N 3.17Å; N256-D259 WeakPolarHBondContact O-CB 3.33Å; N256-D259 PolarHBondContact O-N 2.91Å; I257-D259 PolarHBondContact O-N 3.21Å; D259-R297 PolarHBondContact O-NH2 3.34Å; D259-R297 IonicContact OD1-CZ 3.09Å; D259-R297 VanDerWaalsContact OD1-CZ 3.28Å; D259-R297 IonicContact OD1-NE 3.28Å; D259-R297 PolarHBondContact OD1-NE 3.26Å; D259-R297 IonicContact OD1-NH2 2.78Å; D259-R297 PolarHBondContact OD1-NH2 3.25Å; D259-R297 IonicContact OD2-NH2 3.82Å; D259-R300 IonicContact OD1-CZ 3.26Å; D259-R300 IonicContact OD1-NH1 2.79Å; D259-R300 PolarHBondContact OD1-NH1 3.1Å; D259-R300 IonicContact OD2-CZ 3.43Å; D259-R300 IonicContact OD2-NH1 3.08Å; D259-R300 PolarHBondContact OD2-NH1 3.32Å; D259-R300 IonicContact OD2-NH2 2.68Å |
| 260 | I | 85.8 | Confident | 81.3 | Confident | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.195 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -48.8 | 178.8 | -67.3 | 163.9 | 0 | 0 | 0 | 110 | F237 F251 N256 I257 I258 A262 I263 I264 | F237-I260 HydrophobicContact CD2-CG1 3.96Å; F237-I260 HydrophobicContact CE2-CD1 3.7Å; F237-I260 HydrophobicContact CE2-CG1 3.19Å; F237-I260 HydrophobicContact CZ-CD1 3.92Å; F237-I260 HydrophobicContact CZ-CG1 3.56Å; F251-I260 HydrophobicContact CD1-CD1 3.62Å; F251-I260 HydrophobicContact CE1-CD1 3.6Å; N256-I260 WeakPolarHBondContact O-CG1 3.39Å; N256-I260 PolarHBondContact O-N 2.86Å; N256-I260 VanDerWaalsContact O-N 3.15Å; I257-I260 PolarHBondContact O-N 2.83Å; I257-I260 VanDerWaalsContact O-N 3.1Å; I258-I260 PolarHBondContact O-N 3.41Å; I260-A262 PolarHBondContact O-N 2.88Å; I260-I263 WeakPolarHBondContact O-CG1 3.45Å; I260-I263 PolarHBondContact O-N 2.68Å; I260-I263 VanDerWaalsContact O-N 3.12Å; I260-I264 HydrophobicContact CG2-CD1 3.52Å; I260-I264 HydrophobicContact CG2-CG1 4.13Å; I260-I264 VanDerWaalsContact O-CG1 3.32Å; I260-I264 WeakPolarHBondContact O-CG1 3.24Å; I260-I264 PolarHBondContact O-N 3.45Å; I260-I264 VanDerWaalsContact O-N 3.16Å |
| 261 | V | 82.6 | Confident | 80.7 | Confident | 52 Ų | 52 | 52.4 Ų | 52.4 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.9 | -31.6 | -178.7 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | I257 I258 P265 L293 | I257-V261 HydrophobicContact CG2-CG2 4.29Å; I257-V261 WeakPolarHBondContact O-CG2 3.01Å; I257-V261 PolarHBondContact O-N 3.25Å; I258-V261 PolarHBondContact O-N 3.09Å; V261-P265 WeakPolarHBondContact O-CD 3.49Å; V261-L293 HydrophobicContact CG1-CD1 3.47Å; V261-L293 VanDerWaalsContact CG1-CD1 3.47Å |
| 262 | A | 77.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -15 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I258 I260 R294 | I258-A262 WeakPolarHBondContact O-CB 3.29Å; I258-A262 PolarHBondContact O-N 3.2Å; I258-A262 VanDerWaalsContact O-N 3.15Å; I260-A262 PolarHBondContact O-N 2.88Å; A262-R294 HydrophobicContact CB-CG 4.3Å |
| 263 | I | 81.5 | Confident | 79.2 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -28.1 | 174.6 | 61.5 | 169.8 | 0 | 0 | 0 | 113.2 | F233 F237 I260 P265 Y266 F267 | F233-I263 HydrophobicContact CB-CG2 3.56Å; F237-I263 HydrophobicContact CD1-CD1 4.41Å; I260-I263 WeakPolarHBondContact O-CG1 3.45Å; I260-I263 PolarHBondContact O-N 2.68Å; I260-I263 VanDerWaalsContact O-N 3.12Å; I263-P265 VanDerWaalsContact C-CD 3.42Å; I263-Y266 PolarHBondContact O-N 3.23Å; I263-F267 HydrophobicContact CB-CD2 4.48Å; I263-F267 HydrophobicContact CB-CE2 4.27Å; I263-F267 HydrophobicContact CD1-CE2 4.43Å; I263-F267 VanDerWaalsContact O-CD2 3.32Å; I263-F267 WeakPolarHBondContact O-CD2 3.43Å |
| 264 | I | 81.9 | Confident | 78.6 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 35% | 0.354 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.3 | -45.3 | -176.8 | -78.9 | 171.2 | 0 | 0 | 0 | 114.3 | I260 Y266 F267 I268 | I260-I264 HydrophobicContact CG2-CD1 3.52Å; I260-I264 HydrophobicContact CG2-CG1 4.13Å; I260-I264 VanDerWaalsContact O-CG1 3.32Å; I260-I264 WeakPolarHBondContact O-CG1 3.24Å; I260-I264 PolarHBondContact O-N 3.45Å; I260-I264 VanDerWaalsContact O-N 3.16Å; I264-Y266 VanDerWaalsContact C-N 3.31Å; I264-Y266 PolarHBondContact O-N 3.44Å; I264-F267 PolarHBondContact O-N 3.39Å; I264-F267 VanDerWaalsContact O-N 3.12Å; I264-I268 HydrophobicContact CG2-CD1 3.37Å; I264-I268 HydrophobicContact CG2-CG1 3.92Å; I264-I268 WeakPolarHBondContact O-CG1 3.42Å; I264-I268 PolarHBondContact O-N 3.03Å |
| 265 | P | 74.9 | Confident | 77.8 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.1 | -42.1 | -172.3 | -27.2 | 35.2 | 0 | 0 | 0 | 112.9 | V261 I263 I268 T269 L290 | V261-P265 WeakPolarHBondContact O-CD 3.49Å; I263-P265 VanDerWaalsContact C-CD 3.42Å; P265-I268 PolarHBondContact O-N 3.25Å; P265-T269 PolarHBondContact O-N 3.18Å; P265-T269 PolarHBondContact O-OG1 3.32Å; P265-L290 HydrophobicContact CB-CB 3.98Å; P265-L290 HydrophobicContact CB-CD1 4.24Å; P265-L290 HydrophobicContact CG-CB 3.3Å; P265-L290 HydrophobicContact CG-CD1 3.81Å; P265-L290 HydrophobicContact CG-CG 4.19Å |
| 266 | Y | 75.4 | Confident | 76.6 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 13% | 0.129 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 178.3 | 178 | -90.3 | 0 | 0 | 0 | 112 | F223 E226 T227 I230 I263 I264 I268 T269 L270 | F223-Y266 HydrophobicContact CE2-CE2 4.24Å; E226-Y266 HydrophobicContact CG-CD2 4.22Å; T227-Y266 PolarHBondContact OG1-OH 3.42Å; I230-Y266 HydrophobicContact CB-CD1 4.37Å; I230-Y266 HydrophobicContact CB-CG 4.3Å; I230-Y266 HydrophobicContact CG1-CD1 4.45Å; I230-Y266 HydrophobicContact CG1-CD2 4.17Å; I230-Y266 HydrophobicContact CG1-CG 3.89Å; I230-Y266 HydrophobicContact CG2-CD1 3.72Å; I230-Y266 HydrophobicContact CG2-CE1 4.35Å; I230-Y266 HydrophobicContact CG2-CG 4.01Å; I263-Y266 PolarHBondContact O-N 3.23Å; I264-Y266 VanDerWaalsContact C-N 3.31Å; I264-Y266 PolarHBondContact O-N 3.44Å; Y266-I268 VanDerWaalsContact C-N 3.32Å; Y266-I268 PolarHBondContact O-N 3.13Å; Y266-T269 PolarHBondContact O-N 2.92Å; Y266-L270 HydrophobicContact CE1-CD2 4.25Å; Y266-L270 WeakPolarHBondContact O-CB 3.49Å; Y266-L270 PolarHBondContact O-N 3.25Å |
| 267 | F | 79.8 | Confident | 75.1 | Confident | 108 Ų | 108 | 64.8 Ų | 64.8 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68 | -32.1 | 178.1 | -73.2 | -71.3 | 0 | 0 | 0 | 112.7 | I230 I263 I264 G271 | I230-F267 HydrophobicContact CG2-CE2 4.18Å; I263-F267 HydrophobicContact CB-CD2 4.48Å; I263-F267 HydrophobicContact CB-CE2 4.27Å; I263-F267 HydrophobicContact CD1-CE2 4.43Å; I263-F267 VanDerWaalsContact O-CD2 3.32Å; I263-F267 WeakPolarHBondContact O-CD2 3.43Å; I264-F267 PolarHBondContact O-N 3.39Å; I264-F267 VanDerWaalsContact O-N 3.12Å; F267-G271 PolarHBondContact O-N 3.19Å |
| 268 | I | 76.1 | Confident | 73.4 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 43% | 0.426 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.7 | -51.5 | 172 | -67.3 | 175.3 | 0 | 0 | 0 | 109.8 | I264 P265 Y266 L270 G271 T272 | I264-I268 HydrophobicContact CG2-CD1 3.37Å; I264-I268 HydrophobicContact CG2-CG1 3.92Å; I264-I268 WeakPolarHBondContact O-CG1 3.42Å; I264-I268 PolarHBondContact O-N 3.03Å; P265-I268 PolarHBondContact O-N 3.25Å; Y266-I268 VanDerWaalsContact C-N 3.32Å; Y266-I268 PolarHBondContact O-N 3.13Å; I268-L270 PolarHBondContact O-N 3.22Å; I268-G271 CarbonylContact O-C 3.51Å; I268-G271 WeakPolarHBondContact O-CA 3.47Å; I268-G271 PolarHBondContact O-N 3.45Å; I268-G271 VanDerWaalsContact O-N 3.09Å; I268-T272 HydrophobicContact CG2-CG2 4.41Å; I268-T272 PolarHBondContact O-N 2.97Å; I268-T272 PolarHBondContact O-OG1 3.42Å; I268-T272 VanDerWaalsContact O-OG1 3.1Å |
| 269 | T | 70.4 | Confident | 71.7 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 30% | 0.301 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.5 | -49.5 | 179.6 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | P265 Y266 G271 T272 E273 | P265-T269 PolarHBondContact O-N 3.18Å; P265-T269 PolarHBondContact O-OG1 3.32Å; Y266-T269 PolarHBondContact O-N 2.92Å; T269-G271 VanDerWaalsContact C-N 3.31Å; T269-G271 PolarHBondContact O-N 3.06Å; T269-T272 WeakPolarHBondContact CA-OG1 3.33Å; T269-T272 PolarHBondContact O-N 3.15Å; T269-T272 PolarHBondContact O-OG1 3.31Å; T269-E273 WeakPolarHBondContact O-CG 3.23Å; T269-E273 PolarHBondContact O-N 3.09Å |
| 270 | L | 72.5 | Confident | 69.8 | Low | 63 Ų | 63 | 79.9 Ų | 79.9 | 33% | 0.33 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 176.7 | -177.1 | 64.7 | 0 | 0 | 0 | 111.7 | Y266 I268 L274 | Y266-L270 HydrophobicContact CE1-CD2 4.25Å; Y266-L270 WeakPolarHBondContact O-CB 3.49Å; Y266-L270 PolarHBondContact O-N 3.25Å; I268-L270 PolarHBondContact O-N 3.22Å; L270-L274 HydrophobicContact CD1-CD1 4.21Å; L270-L274 HydrophobicContact CG-CD1 4.07Å; L270-L274 WeakPolarHBondContact O-CB 3.49Å; L270-L274 WeakPolarHBondContact O-CD1 3.32Å; L270-L274 WeakPolarHBondContact O-CG 3.21Å; L270-L274 PolarHBondContact O-N 2.88Å; L270-L274 VanDerWaalsContact O-N 3.14Å |
| 271 | G | 74.4 | Confident | 68.2 | Low | 35 Ų | 35 | 83 Ų | 83 | 36% | 0.361 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F267 I268 T269 L274 A275 | F267-G271 PolarHBondContact O-N 3.19Å; I268-G271 CarbonylContact O-C 3.51Å; I268-G271 WeakPolarHBondContact O-CA 3.47Å; I268-G271 PolarHBondContact O-N 3.45Å; I268-G271 VanDerWaalsContact O-N 3.09Å; T269-G271 VanDerWaalsContact C-N 3.31Å; T269-G271 PolarHBondContact O-N 3.06Å; G271-L274 PolarHBondContact O-N 3.15Å; G271-A275 WeakPolarHBondContact O-CB 3.35Å; G271-A275 PolarHBondContact O-N 3.19Å |
| 272 | T | 70.1 | Confident | 66.7 | Low | 48 Ų | 48 | 89.1 Ų | 89.1 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 177.7 | 47 | 0 | 0 | 0 | 0 | 112.2 | I268 T269 L274 A275 E276 | I268-T272 HydrophobicContact CG2-CG2 4.41Å; I268-T272 PolarHBondContact O-N 2.97Å; I268-T272 PolarHBondContact O-OG1 3.42Å; I268-T272 VanDerWaalsContact O-OG1 3.1Å; T269-T272 WeakPolarHBondContact CA-OG1 3.33Å; T269-T272 PolarHBondContact O-N 3.15Å; T269-T272 PolarHBondContact O-OG1 3.31Å; T272-L274 VanDerWaalsContact C-N 3.27Å; T272-L274 PolarHBondContact O-N 3.32Å; T272-A275 PolarHBondContact O-N 2.76Å; T272-E276 PolarHBondContact O-N 3.42Å |
| 273 | E | 68.4 | Low | 65.4 | Low | 128 Ų | 128 | 93.5 Ų | 93.5 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -33.2 | 175.9 | -74.5 | 178.4 | -175 | 0 | 0 | 112.7 | T269 | T269-E273 WeakPolarHBondContact O-CG 3.23Å; T269-E273 PolarHBondContact O-N 3.09Å |
| 274 | L | 70.3 | Confident | 63.9 | Low | 141 Ų | 141 | 95.1 Ų | 95.1 | 74% | 0.738 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -83.3 | -22.6 | 176.8 | -67.1 | 171.7 | 0 | 0 | 0 | 113.1 | L270 G271 T272 | L270-L274 HydrophobicContact CD1-CD1 4.21Å; L270-L274 HydrophobicContact CG-CD1 4.07Å; L270-L274 WeakPolarHBondContact O-CB 3.49Å; L270-L274 WeakPolarHBondContact O-CD1 3.32Å; L270-L274 WeakPolarHBondContact O-CG 3.21Å; L270-L274 PolarHBondContact O-N 2.88Å; L270-L274 VanDerWaalsContact O-N 3.14Å; G271-L274 PolarHBondContact O-N 3.15Å; T272-L274 VanDerWaalsContact C-N 3.27Å; T272-L274 PolarHBondContact O-N 3.32Å |
| 275 | A | 68.4 | Low | 62.4 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 67% | 0.669 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -100.2 | -27.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G271 T272 | G271-A275 WeakPolarHBondContact O-CB 3.35Å; G271-A275 PolarHBondContact O-N 3.19Å; T272-A275 PolarHBondContact O-N 2.76Å |
| 276 | E | 55.9 | Low | 61.4 | Low | 122 Ų | 122 | 104 Ų | 104 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | trans | -119.3 | 143.4 | -168.4 | -88.7 | -175.4 | 177.5 | 0 | 0 | 118.3 | T272 | T272-E276 PolarHBondContact O-N 3.42Š| ||
| 277 | K | 54.4 | Low | 60.4 | Low | 186 Ų | 186 | 103.6 Ų | 103.6 | 81% | 0.809 | 57% | 0.567 | S | S | * | * | trans | -72.1 | 161 | 162.4 | -78 | 170.1 | 175.6 | 168.3 | 0 | 110.1 | E279 | K277-E279 VanDerWaalsContact C-N 3.31Å; K277-E279 PolarHBondContact O-N 3.48Å | ||
| 278 | P | 51.2 | Low | 59.4 | Low | 126 Ų | 126 | 101.1 Ų | 101.1 | 82% | 0.818 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 21.2 | -150.7 | -19.2 | 33.8 | 0 | 0 | 0 | 119.4 | ||
| 279 | E | 47.6 | Very low | 58.5 | Low | 173 Ų | 173 | 100.2 Ų | 100.2 | 81% | 0.808 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -15.7 | -159.9 | -57.3 | -150.8 | -176.6 | 0 | 0 | 117.5 | K277 | K277-E279 VanDerWaalsContact C-N 3.31Å; K277-E279 PolarHBondContact O-N 3.48Å |
| 280 | D | 46.8 | Very low | 58.1 | Low | 118 Ų | 118 | 100.7 Ų | 100.7 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | trans | -121.1 | 59.3 | -177.7 | -70.1 | -43.1 | 0 | 0 | 0 | 113.9 | Q282 | D280-Q282 PolarHBondContact O-N 2.97Š| ||
| 281 | A | 52 | Low | 57.6 | Low | 104 Ų | 104 | 98 Ų | 98 | 86% | 0.86 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 37.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 282 | Q | 49.8 | Very low | 57.2 | Low | 181 Ų | 181 | 100.9 Ų | 100.9 | 85% | 0.846 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -7.1 | 174.4 | -99.7 | 179.9 | -12.2 | 0 | 0 | 113.9 | D280 | D280-Q282 PolarHBondContact O-N 2.97Š|
| 283 | Q | 50.7 | Low | 57 | Low | 93 Ų | 93 | 101.3 Ų | 101.3 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | -24.1 | -171.9 | -137.2 | 101.5 | 33.6 | 0 | 0 | 114.8 | Q285 Q286 A287 | Q283-Q285 VanDerWaalsContact C-N 3.27Å; Q283-Q285 PolarHBondContact O-N 3.45Å; Q283-Q286 PolarHBondContact O-N 3.1Å; Q283-Q286 VanDerWaalsContact O-N 3.12Å; Q283-A287 PolarHBondContact O-N 3Å |
| 284 | G | 51.1 | Low | 57 | Low | 51 Ų | 51 | 95.4 Ų | 95.4 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -31.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M288 | G284-M288 PolarHBondContact O-N 3.06Å |
| 285 | Q | 50.9 | Low | 57 | Low | 143 Ų | 143 | 92 Ų | 92 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.6 | -33.1 | 177.5 | -159.1 | 84.5 | 10 | 0 | 0 | 112.5 | Q283 M288 | Q283-Q285 VanDerWaalsContact C-N 3.27Å; Q283-Q285 PolarHBondContact O-N 3.45Å; Q285-M288 HydrophobicContact CG-CE 4.3Å |
| 286 | Q | 52.8 | Low | 57.1 | Low | 119 Ų | 119 | 91.4 Ų | 91.4 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -74.9 | -37.2 | 179.3 | -70.5 | -177.3 | -9.8 | 0 | 0 | 111.6 | Q283 M288 S289 L290 | Q283-Q286 PolarHBondContact O-N 3.1Å; Q283-Q286 VanDerWaalsContact O-N 3.12Å; Q286-M288 VanDerWaalsContact C-N 3.3Å; Q286-M288 PolarHBondContact O-N 3.39Å; Q286-S289 PolarHBondContact O-N 2.96Å; Q286-S289 VanDerWaalsContact O-N 3.13Å; Q286-S289 PolarHBondContact O-OG 3.38Å; Q286-L290 PolarHBondContact O-N 2.91Å |
| 287 | A | 54.4 | Low | 57.8 | Low | 24 Ų | 24 | 86 Ų | 86 | 20% | 0.198 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q283 S289 L290 A291 | Q283-A287 PolarHBondContact O-N 3Å; A287-S289 VanDerWaalsContact C-N 3.34Å; A287-S289 PolarHBondContact O-N 3.4Å; A287-L290 PolarHBondContact O-N 2.75Å; A287-A291 PolarHBondContact O-N 3.32Å |
| 288 | M | 58.7 | Low | 58.4 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 27% | 0.271 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 174.8 | -64.9 | -166.7 | -67.9 | 0 | 0 | 112.3 | F180 G284 Q285 Q286 L290 A291 | F180-M288 HydrophobicContact CE2-CB 4.07Å; F180-M288 HydrophobicContact CE2-CG 4.49Å; F180-M288 WeakPolarHBondContact CE2-O 3.37Å; F180-M288 HydrophobicContact CZ-CB 4.28Å; F180-M288 WeakPolarHBondContact CZ-O 3.13Å; G284-M288 PolarHBondContact O-N 3.06Å; Q285-M288 HydrophobicContact CG-CE 4.3Å; Q286-M288 VanDerWaalsContact C-N 3.3Å; Q286-M288 PolarHBondContact O-N 3.39Å; M288-L290 VanDerWaalsContact C-N 3.27Å; M288-L290 PolarHBondContact O-N 2.93Å; M288-A291 PolarHBondContact O-N 3.12Å |
| 289 | S | 57 | Low | 58.9 | Low | 64 Ų | 64 | 79.9 Ų | 79.9 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.9 | -27.8 | 179.7 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | Q286 A287 I292 | Q286-S289 PolarHBondContact O-N 2.96Å; Q286-S289 VanDerWaalsContact O-N 3.13Å; Q286-S289 PolarHBondContact O-OG 3.38Å; A287-S289 VanDerWaalsContact C-N 3.34Å; A287-S289 PolarHBondContact O-N 3.4Å; S289-I292 WeakPolarHBondContact O-CB 3.4Å |
| 290 | L | 62.6 | Low | 59.6 | Low | 59 Ų | 59 | 73.2 Ų | 73.2 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -83 | -25.2 | 179.4 | -61.6 | 173.8 | 0 | 0 | 0 | 112.5 | P265 Q286 A287 M288 I292 L293 | P265-L290 HydrophobicContact CB-CB 3.98Å; P265-L290 HydrophobicContact CB-CD1 4.24Å; P265-L290 HydrophobicContact CG-CB 3.3Å; P265-L290 HydrophobicContact CG-CD1 3.81Å; P265-L290 HydrophobicContact CG-CG 4.19Å; Q286-L290 PolarHBondContact O-N 2.91Å; A287-L290 PolarHBondContact O-N 2.75Å; M288-L290 VanDerWaalsContact C-N 3.27Å; M288-L290 PolarHBondContact O-N 2.93Å; L290-I292 PolarHBondContact O-N 3.16Å; L290-L293 HydrophobicContact CD2-CD1 3.81Å; L290-L293 WeakPolarHBondContact O-CB 3.42Å; L290-L293 PolarHBondContact O-N 3.24Å; L290-L293 VanDerWaalsContact O-N 3.09Å |
| 291 | A | 61.8 | Low | 60.2 | Low | 7 Ų | 7 | 74.2 Ų | 74.2 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63 | -27.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F180 A287 M288 L293 R294 | F180-A291 HydrophobicContact CD1-CB 4.47Å; F180-A291 HydrophobicContact CD2-CB 3.44Å; F180-A291 VanDerWaalsContact CD2-CB 3.44Å; F180-A291 HydrophobicContact CE1-CB 4.5Å; F180-A291 HydrophobicContact CE2-CB 3.48Å; F180-A291 VanDerWaalsContact CE2-CB 3.48Å; F180-A291 HydrophobicContact CG-CB 3.97Å; F180-A291 HydrophobicContact CZ-CB 4.04Å; A287-A291 PolarHBondContact O-N 3.32Å; M288-A291 PolarHBondContact O-N 3.12Å; A291-L293 PolarHBondContact O-N 2.93Å; A291-R294 VanDerWaalsContact O-CB 3.23Å; A291-R294 WeakPolarHBondContact O-CB 3.38Å; A291-R294 WeakPolarHBondContact O-CD 3.42Å; A291-R294 WeakPolarHBondContact O-CG 3.48Å; A291-R294 PolarHBondContact O-N 2.75Å; A291-R294 VanDerWaalsContact O-N 3.15Å |
| 292 | I | 66.2 | Low | 60.2 | Low | 95 Ų | 95 | 72.5 Ų | 72.5 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -60.7 | -32.8 | 173.3 | -60.6 | 171.2 | 0 | 0 | 0 | 111.4 | F180 S289 L290 R294 V295 | F180-I292 HydrophobicContact CE1-CD1 4.43Å; F180-I292 HydrophobicContact CE1-CG1 3.56Å; F180-I292 HydrophobicContact CZ-CG1 3.93Å; S289-I292 WeakPolarHBondContact O-CB 3.4Å; L290-I292 PolarHBondContact O-N 3.16Å; I292-R294 PolarHBondContact O-N 3.2Å; I292-V295 WeakPolarHBondContact O-CB 3.27Å; I292-V295 WeakPolarHBondContact O-CG1 3.28Å; I292-V295 PolarHBondContact O-N 2.92Å |
| 293 | L | 66.9 | Low | 59.9 | Low | 57 Ų | 57 | 68.7 Ų | 68.7 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -64.3 | -14.6 | 180 | -57.5 | 175.7 | 0 | 0 | 0 | 112.9 | V261 L290 A291 V295 I296 | V261-L293 HydrophobicContact CG1-CD1 3.47Å; V261-L293 VanDerWaalsContact CG1-CD1 3.47Å; L290-L293 HydrophobicContact CD2-CD1 3.81Å; L290-L293 WeakPolarHBondContact O-CB 3.42Å; L290-L293 PolarHBondContact O-N 3.24Å; L290-L293 VanDerWaalsContact O-N 3.09Å; A291-L293 PolarHBondContact O-N 2.93Å; L293-V295 PolarHBondContact O-N 3.26Å; L293-I296 HydrophobicContact CB-CD1 4.45Å; L293-I296 HydrophobicContact CD2-CD1 3.76Å; L293-I296 WeakPolarHBondContact O-CB 3.39Å; L293-I296 PolarHBondContact O-N 3.34Å; L293-I296 VanDerWaalsContact O-N 3.12Å |
| 294 | R | 67.7 | Low | 59.6 | Low | 5 Ų | 5 | 69.5 Ų | 69.5 | 2% | 0.019 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -59.5 | -26.7 | 171.1 | -63.3 | 174.2 | -177.7 | 163.8 | 5.9 | 112.1 | E226 A262 A291 I292 I296 R297 | E226-R294 IonicContact OE1-CZ 2.72Å; E226-R294 IonicContact OE1-NH1 2.83Å; E226-R294 PolarHBondContact OE1-NH1 2.95Å; E226-R294 IonicContact OE1-NH2 3.54Å; E226-R294 PolarHBondContact OE1-NH2 2.98Å; A262-R294 HydrophobicContact CB-CG 4.3Å; A291-R294 VanDerWaalsContact O-CB 3.23Å; A291-R294 WeakPolarHBondContact O-CB 3.38Å; A291-R294 WeakPolarHBondContact O-CD 3.42Å; A291-R294 WeakPolarHBondContact O-CG 3.48Å; A291-R294 PolarHBondContact O-N 2.75Å; A291-R294 VanDerWaalsContact O-N 3.15Å; I292-R294 PolarHBondContact O-N 3.2Å; R294-I296 VanDerWaalsContact C-N 3.25Å; R294-I296 PolarHBondContact O-N 3.21Å; R294-R297 WeakPolarHBondContact O-CB 3.35Å; R294-R297 PolarHBondContact O-N 3.19Å |
| 295 | V | 70.6 | Confident | 59.3 | Low | 69 Ų | 69 | 70 Ų | 70 | 42% | 0.418 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -62.4 | -32.5 | 175.9 | 79.7 | 0 | 0 | 0 | 0 | 112.5 | I177 I292 L293 R297 L298 | I177-V295 HydrophobicContact CD1-CB 4.35Å; I177-V295 HydrophobicContact CD1-CG2 4.25Å; I292-V295 WeakPolarHBondContact O-CB 3.27Å; I292-V295 WeakPolarHBondContact O-CG1 3.28Å; I292-V295 PolarHBondContact O-N 2.92Å; L293-V295 PolarHBondContact O-N 3.26Å; V295-R297 PolarHBondContact O-N 3.14Å; V295-L298 VanDerWaalsContact O-CB 3.24Å; V295-L298 WeakPolarHBondContact O-CB 3.32Å; V295-L298 PolarHBondContact O-N 3.34Å |
| 296 | I | 70.3 | Confident | 59 | Low | 69 Ų | 69 | 69.2 Ų | 69.2 | 35% | 0.354 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -66.3 | -24.2 | -178.4 | -56.4 | 175.7 | 0 | 0 | 0 | 110.7 | I258 L293 R294 L298 E299 | I258-I296 HydrophobicContact CD1-CG2 3.75Å; I258-I296 HydrophobicContact CG1-CG2 4.17Å; I258-I296 HydrophobicContact CG2-CB 4.31Å; I258-I296 HydrophobicContact CG2-CG2 4.13Å; L293-I296 HydrophobicContact CB-CD1 4.45Å; L293-I296 HydrophobicContact CD2-CD1 3.76Å; L293-I296 WeakPolarHBondContact O-CB 3.39Å; L293-I296 PolarHBondContact O-N 3.34Å; L293-I296 VanDerWaalsContact O-N 3.12Å; R294-I296 VanDerWaalsContact C-N 3.25Å; R294-I296 PolarHBondContact O-N 3.21Å; I296-L298 PolarHBondContact O-N 3.42Å; I296-E299 WeakPolarHBondContact O-CB 3.26Å; I296-E299 PolarHBondContact O-N 3.13Å; I296-E299 VanDerWaalsContact O-N 3.16Å |
| 297 | R | 70.3 | Confident | 58.5 | Low | 8 Ų | 8 | 70.3 Ų | 70.3 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -67 | -19.8 | 173.3 | -71.1 | -178.8 | 138.4 | 153.5 | -7.7 | 113.3 | I173 I258 D259 R294 V295 E299 R300 | I173-R297 HydrophobicContact CD1-CB 3.84Å; I173-R297 HydrophobicContact CG1-CB 4.35Å; I258-R297 HydrophobicContact CG2-CG 3.77Å; D259-R297 PolarHBondContact O-NH2 3.34Å; D259-R297 IonicContact OD1-CZ 3.09Å; D259-R297 VanDerWaalsContact OD1-CZ 3.28Å; D259-R297 IonicContact OD1-NE 3.28Å; D259-R297 PolarHBondContact OD1-NE 3.26Å; D259-R297 IonicContact OD1-NH2 2.78Å; D259-R297 PolarHBondContact OD1-NH2 3.25Å; D259-R297 IonicContact OD2-NH2 3.82Å; R294-R297 WeakPolarHBondContact O-CB 3.35Å; R294-R297 PolarHBondContact O-N 3.19Å; V295-R297 PolarHBondContact O-N 3.14Å; R297-E299 VanDerWaalsContact C-N 3.27Å; R297-E299 PolarHBondContact O-N 3.1Å; R297-R300 WeakPolarHBondContact O-CB 3.17Å; R297-R300 PolarHBondContact O-N 3.32Å; R297-R300 VanDerWaalsContact O-N 3.12Å |
| 298 | L | 67.1 | Low | 58.1 | Low | 56 Ų | 56 | 71.3 Ų | 71.3 | 29% | 0.293 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -66 | -35.4 | 173.3 | -165.8 | 71 | 0 | 0 | 0 | 111.2 | V170 L174 V295 I296 R300 | V170-L298 HydrophobicContact CG1-CD1 4.5Å; L174-L298 HydrophobicContact CD2-CD1 4.32Å; V295-L298 VanDerWaalsContact O-CB 3.24Å; V295-L298 WeakPolarHBondContact O-CB 3.32Å; V295-L298 PolarHBondContact O-N 3.34Å; I296-L298 PolarHBondContact O-N 3.42Å; L298-R300 PolarHBondContact O-N 3.28Å |
| 299 | E | 62.4 | Low | 57.4 | Low | 128 Ų | 128 | 74.6 Ų | 74.6 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -74.3 | -7.2 | 174.3 | -56.7 | -59.4 | 139.9 | 0 | 0 | 112.5 | I296 R297 R301 | I296-E299 WeakPolarHBondContact O-CB 3.26Å; I296-E299 PolarHBondContact O-N 3.13Å; I296-E299 VanDerWaalsContact O-N 3.16Å; R297-E299 VanDerWaalsContact C-N 3.27Å; R297-E299 PolarHBondContact O-N 3.1Å; E299-R301 PolarHBondContact O-N 3.47Å |
| 300 | R | 61.9 | Low | 56.5 | Low | 33 Ų | 33 | 75.8 Ų | 75.8 | 13% | 0.125 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -67.9 | -23.2 | 176.8 | 177.2 | 170.6 | -178.9 | 144.8 | 0.2 | 113.5 | E154 M255 N256 D259 R297 L298 | E154-R300 IonicContact OE2-NH2 2.81Å; E154-R300 PolarHBondContact OE2-NH2 3.12Å; M255-R300 HydrophobicContact CB-CG 4.46Å; M255-R300 HydrophobicContact CE-CB 3.67Å; M255-R300 HydrophobicContact CE-CG 3.59Å; M255-R300 PolarHBondContact O-NH1 3.37Å; N256-R300 PolarHBondContact OD1-NH2 3.26Å; D259-R300 IonicContact OD1-CZ 3.26Å; D259-R300 IonicContact OD1-NH1 2.79Å; D259-R300 PolarHBondContact OD1-NH1 3.1Å; D259-R300 IonicContact OD2-CZ 3.43Å; D259-R300 IonicContact OD2-NH1 3.08Å; D259-R300 PolarHBondContact OD2-NH1 3.32Å; D259-R300 IonicContact OD2-NH2 2.68Å; R297-R300 WeakPolarHBondContact O-CB 3.17Å; R297-R300 PolarHBondContact O-N 3.32Å; R297-R300 VanDerWaalsContact O-N 3.12Å; L298-R300 PolarHBondContact O-N 3.28Å |
| 301 | R | 58.6 | Low | 55.6 | Low | 138 Ų | 138 | 74.7 Ų | 74.7 | 52% | 0.521 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -62.7 | 123.9 | 174.9 | -72.2 | -162.1 | -64.9 | -147.2 | -3.6 | 108.2 | E299 L303 | E299-R301 PolarHBondContact O-N 3.47Å; R301-L303 PolarHBondContact O-N 3.09Å |
| 302 | P | 51.7 | Low | 54.9 | Low | 69 Ų | 69 | 82.6 Ų | 82.6 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | trans | -66.4 | 104.9 | -168.3 | 24.9 | -31.9 | 0 | 0 | 0 | 109.5 | Q304 S305 | P302-Q304 HydrophobicContact CB-CB 4.12Å; P302-Q304 PolarHBondContact O-N 2.96Å; P302-Q304 VanDerWaalsContact O-N 3.09Å; P302-S305 PolarHBondContact O-N 3.26Å | ||
| 303 | L | 43.8 | Very low | 53.9 | Low | 100 Ų | 100 | 83.7 Ų | 83.7 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -12.1 | 155.4 | -89.2 | 98.5 | 0 | 0 | 0 | 111.6 | R301 S305 Q306 E307 | R301-L303 PolarHBondContact O-N 3.09Å; L303-S305 PolarHBondContact O-N 3.18Å; L303-Q306 WeakPolarHBondContact O-CA 3.27Å; L303-Q306 WeakPolarHBondContact O-CB 3.02Å; L303-Q306 PolarHBondContact O-N 3.11Å; L303-E307 PolarHBondContact O-N 3.39Å |
| 304 | Q | 44.4 | Very low | 52.7 | Low | 110 Ų | 110 | 86 Ų | 86 | 51% | 0.514 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.4 | -23.4 | 176.2 | -88.1 | 157.5 | -17.6 | 0 | 0 | 114.9 | P302 Q306 S308 | P302-Q304 HydrophobicContact CB-CB 4.12Å; P302-Q304 PolarHBondContact O-N 2.96Å; P302-Q304 VanDerWaalsContact O-N 3.09Å; Q304-Q306 PolarHBondContact O-N 3.37Å; Q304-S308 PolarHBondContact O-N 2.68Å; Q304-S308 PolarHBondContact O-OG 3.29Å |
| 305 | S | 45.6 | Very low | 51.7 | Low | 61 Ų | 61 | 87.5 Ų | 87.5 | 43% | 0.427 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -73 | -19.4 | 169.6 | -165.9 | 0 | 0 | 0 | 0 | 112.4 | P302 L303 K309 | P302-S305 PolarHBondContact O-N 3.26Å; L303-S305 PolarHBondContact O-N 3.18Å; S305-K309 WeakPolarHBondContact O-CD 3.25Å; S305-K309 VanDerWaalsContact O-CG 3.24Å; S305-K309 WeakPolarHBondContact O-CG 3.14Å; S305-K309 PolarHBondContact OG-NZ 2.95Å |
| 306 | Q | 43.2 | Very low | 50.5 | Low | 128 Ų | 128 | 89.1 Ų | 89.1 | 60% | 0.598 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -88.2 | -44.9 | 175.3 | -109.9 | 178.4 | -21.1 | 0 | 0 | 111.6 | L303 Q304 S308 K309 Q310 | L303-Q306 WeakPolarHBondContact O-CA 3.27Å; L303-Q306 WeakPolarHBondContact O-CB 3.02Å; L303-Q306 PolarHBondContact O-N 3.11Å; Q304-Q306 PolarHBondContact O-N 3.37Å; Q306-S308 PolarHBondContact O-N 3.48Å; Q306-K309 CarbonylContact O-C 3.57Å; Q306-K309 PolarHBondContact O-N 3.12Å; Q306-Q310 WeakPolarHBondContact O-CB 3.45Å; Q306-Q310 PolarHBondContact O-N 2.92Å |
| 307 | E | 43.3 | Very low | 49.1 | Very low | 141 Ų | 141 | 89.3 Ų | 89.3 | 66% | 0.659 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | -178.4 | -70.7 | -168.8 | 123.3 | 0 | 0 | 113.7 | L303 K309 Q310 G311 | L303-E307 PolarHBondContact O-N 3.39Å; E307-K309 VanDerWaalsContact C-N 3.35Å; E307-K309 PolarHBondContact O-N 3.02Å; E307-Q310 PolarHBondContact O-N 2.85Å; E307-G311 PolarHBondContact O-N 3.43Å |
| 308 | S | 46.1 | Very low | 47.9 | Very low | 45 Ų | 45 | 92.4 Ų | 92.4 | 32% | 0.315 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 173.7 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | E135 Q304 Q306 R312 | E135-S308 VanDerWaalsContact OE1-CB 3.3Å; E135-S308 WeakPolarHBondContact OE1-CB 3.35Å; Q304-S308 PolarHBondContact O-N 2.68Å; Q304-S308 PolarHBondContact O-OG 3.29Å; Q306-S308 PolarHBondContact O-N 3.48Å; S308-R312 WeakPolarHBondContact O-CB 3.32Å; S308-R312 PolarHBondContact O-N 2.98Å |
| 309 | K | 43.3 | Very low | 47 | Very low | 125 Ų | 125 | 92.3 Ų | 92.3 | 54% | 0.543 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -77.2 | -34.3 | 174.7 | -69.5 | 178.3 | -172.4 | 163 | 0 | 112.5 | S305 Q306 E307 R312 Q313 | S305-K309 WeakPolarHBondContact O-CD 3.25Å; S305-K309 VanDerWaalsContact O-CG 3.24Å; S305-K309 WeakPolarHBondContact O-CG 3.14Å; S305-K309 PolarHBondContact OG-NZ 2.95Å; Q306-K309 CarbonylContact O-C 3.57Å; Q306-K309 PolarHBondContact O-N 3.12Å; E307-K309 VanDerWaalsContact C-N 3.35Å; E307-K309 PolarHBondContact O-N 3.02Å; K309-R312 PolarHBondContact O-N 3.32Å; K309-Q313 WeakPolarHBondContact O-CB 3.36Å; K309-Q313 WeakPolarHBondContact O-CG 3.42Å; K309-Q313 PolarHBondContact O-N 2.79Å |
| 310 | Q | 38.5 | Very low | 46 | Very low | 88 Ų | 88 | 91.6 Ų | 91.6 | 41% | 0.411 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.9 | -40.6 | 179.1 | -163.2 | 82.6 | 28.6 | 0 | 0 | 110.4 | Q306 E307 Q313 H314 | Q306-Q310 WeakPolarHBondContact O-CB 3.45Å; Q306-Q310 PolarHBondContact O-N 2.92Å; E307-Q310 PolarHBondContact O-N 2.85Å; Q310-Q313 CarbonylContact O-C 3.56Å; Q310-Q313 PolarHBondContact O-N 2.94Å; Q310-H314 WeakPolarHBondContact O-CB 3.38Å; Q310-H314 PolarHBondContact O-CD2 3.47Å; Q310-H314 PolarHBondContact O-N 3.39Å |
| 311 | G | 43.1 | Very low | 44.9 | Very low | 36 Ų | 36 | 94.4 Ų | 94.4 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E307 Q313 H314 L315 | E307-G311 PolarHBondContact O-N 3.43Å; G311-Q313 VanDerWaalsContact C-N 3.31Å; G311-Q313 PolarHBondContact O-N 3.29Å; G311-H314 PolarHBondContact O-N 3.35Å; G311-L315 PolarHBondContact O-N 2.97Å |
| 312 | R | 48.3 | Very low | 44.2 | Very low | 174 Ų | 174 | 92.1 Ų | 92.1 | 66% | 0.657 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.6 | -31 | 174.1 | -154.8 | -179.2 | -79.9 | -164.5 | -2 | 112.6 | S308 K309 | S308-R312 WeakPolarHBondContact O-CB 3.32Å; S308-R312 PolarHBondContact O-N 2.98Å; K309-R312 PolarHBondContact O-N 3.32Å |
| 313 | Q | 45.1 | Very low | 43.7 | Very low | 117 Ų | 117 | 95 Ų | 95 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -81.2 | -34.4 | 173.9 | -76.1 | 177.6 | 6.3 | 0 | 0 | 113.5 | K309 Q310 G311 N316 T317 | K309-Q313 WeakPolarHBondContact O-CB 3.36Å; K309-Q313 WeakPolarHBondContact O-CG 3.42Å; K309-Q313 PolarHBondContact O-N 2.79Å; Q310-Q313 CarbonylContact O-C 3.56Å; Q310-Q313 PolarHBondContact O-N 2.94Å; G311-Q313 VanDerWaalsContact C-N 3.31Å; G311-Q313 PolarHBondContact O-N 3.29Å; Q313-N316 PolarHBondContact O-N 2.84Å; Q313-T317 WeakPolarHBondContact O-CB 3.21Å; Q313-T317 PolarHBondContact O-N 3.09Å; Q313-T317 PolarHBondContact O-OG1 3.31Å |
| 314 | H | 41.4 | Very low | 43.3 | Very low | 105 Ų | 105 | 92.8 Ų | 92.8 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72 | -34.5 | 177.9 | -90.3 | -67 | 0 | 0 | 0 | 113.1 | Q310 G311 T317 S318 | Q310-H314 WeakPolarHBondContact O-CB 3.38Å; Q310-H314 PolarHBondContact O-CD2 3.47Å; Q310-H314 PolarHBondContact O-N 3.39Å; G311-H314 PolarHBondContact O-N 3.35Å; H314-T317 VanDerWaalsContact CA-OG1 3.32Å; H314-T317 WeakPolarHBondContact CA-OG1 3.47Å; H314-T317 PolarHBondContact O-OG1 3.11Å; H314-S318 WeakPolarHBondContact O-CB 3.48Å; H314-S318 PolarHBondContact O-N 3.14Å; H314-S318 PolarHBondContact O-OG 3.48Å; H314-S318 VanDerWaalsContact O-OG 3.11Å |
| 315 | L | 47.9 | Very low | 42.8 | Very low | 37 Ų | 37 | 93.7 Ų | 93.7 | 19% | 0.194 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 168.7 | -97.8 | 88 | 0 | 0 | 0 | 110.7 | Y132 G311 T317 S318 H319 | Y132-L315 HydrophobicContact CD2-CD2 4.31Å; Y132-L315 HydrophobicContact CE1-CD2 4.25Å; Y132-L315 HydrophobicContact CE2-CD2 3.43Å; Y132-L315 VanDerWaalsContact CE2-CD2 3.43Å; Y132-L315 VanDerWaalsContact OH-CD2 3.25Å; Y132-L315 WeakPolarHBondContact OH-CD2 3.48Å; G311-L315 PolarHBondContact O-N 2.97Å; L315-T317 VanDerWaalsContact C-N 3.31Å; L315-T317 PolarHBondContact O-N 3.1Å; L315-S318 PolarHBondContact O-N 2.95Å; L315-H319 WeakPolarHBondContact O-CB 3.09Å; L315-H319 PolarHBondContact O-CD2 3.37Å; L315-H319 PolarHBondContact O-N 3.49Å |
| 316 | N | 43.5 | Very low | 42.4 | Very low | 103 Ų | 103 | 97.2 Ų | 97.2 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.3 | -39 | 178.6 | -79.1 | 5.1 | 0 | 0 | 0 | 112.7 | Q313 H319 D320 | Q313-N316 PolarHBondContact O-N 2.84Å; N316-H319 PolarHBondContact O-N 3.34Å; N316-D320 PolarHBondContact O-N 3.39Å; N316-D320 VanDerWaalsContact O-N 3.1Å |
| 317 | T | 42.6 | Very low | 42.3 | Very low | 73 Ų | 73 | 98.8 Ų | 98.8 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -76.2 | -31 | 178 | 43.6 | 0 | 0 | 0 | 0 | 113.9 | Q313 H314 L315 H319 D320 C321 | Q313-T317 WeakPolarHBondContact O-CB 3.21Å; Q313-T317 PolarHBondContact O-N 3.09Å; Q313-T317 PolarHBondContact O-OG1 3.31Å; H314-T317 VanDerWaalsContact CA-OG1 3.32Å; H314-T317 WeakPolarHBondContact CA-OG1 3.47Å; H314-T317 PolarHBondContact O-OG1 3.11Å; L315-T317 VanDerWaalsContact C-N 3.31Å; L315-T317 PolarHBondContact O-N 3.1Å; T317-H319 VanDerWaalsContact C-N 3.34Å; T317-D320 PolarHBondContact O-N 3.25Å; T317-C321 PolarHBondContact O-N 3.23Å; T317-C321 VanDerWaalsContact O-N 3.12Å |
| 318 | S | 43.4 | Very low | 42.1 | Very low | 74 Ų | 74 | 98.4 Ų | 98.4 | 52% | 0.517 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -34 | 170.9 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | H314 L315 T322 | H314-S318 WeakPolarHBondContact O-CB 3.48Å; H314-S318 PolarHBondContact O-N 3.14Å; H314-S318 PolarHBondContact O-OG 3.48Å; H314-S318 VanDerWaalsContact O-OG 3.11Å; L315-S318 PolarHBondContact O-N 2.95Å; S318-T322 PolarHBondContact O-N 2.93Å; S318-T322 PolarHBondContact O-OG1 3.36Å |
| 319 | H | 49 | Very low | 41.8 | Very low | 54 Ų | 54 | 102.1 Ų | 102.1 | 25% | 0.25 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -69.7 | -36.5 | 173.9 | -83.2 | -74.1 | 0 | 0 | 0 | 112.6 | L315 N316 T317 T322 L323 | L315-H319 WeakPolarHBondContact O-CB 3.09Å; L315-H319 PolarHBondContact O-CD2 3.37Å; L315-H319 PolarHBondContact O-N 3.49Å; N316-H319 PolarHBondContact O-N 3.34Å; T317-H319 VanDerWaalsContact C-N 3.34Å; H319-T322 PolarHBondContact O-N 3.03Å; H319-T322 PolarHBondContact O-OG1 2.85Å; H319-T322 VanDerWaalsContact O-OG1 3.08Å; H319-L323 PolarHBondContact O-N 2.97Å |
| 320 | D | 42.3 | Very low | 41.5 | Very low | 112 Ų | 112 | 99.9 Ų | 99.9 | 60% | 0.599 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70 | -36.7 | 174.5 | -80.1 | -24.5 | 0 | 0 | 0 | 112.9 | N316 T317 T322 L323 G324 | N316-D320 PolarHBondContact O-N 3.39Å; N316-D320 VanDerWaalsContact O-N 3.1Å; T317-D320 PolarHBondContact O-N 3.25Å; D320-T322 VanDerWaalsContact C-N 3.31Å; D320-T322 PolarHBondContact O-N 3.19Å; D320-L323 PolarHBondContact O-N 2.78Å; D320-G324 PolarHBondContact O-N 2.97Å |
| 321 | C | 38.7 | Very low | 41.1 | Very low | 92 Ų | 92 | 104.1 Ų | 104.1 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.2 | -26.9 | 176.2 | -78.3 | 0 | 0 | 0 | 0 | 113.5 | T317 | T317-C321 PolarHBondContact O-N 3.23Å; T317-C321 VanDerWaalsContact O-N 3.12Å |
| 322 | T | 42.3 | Very low | 40.7 | Very low | 91 Ų | 91 | 108.9 Ų | 108.9 | 56% | 0.558 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82.3 | -27 | 175.1 | 35.3 | 0 | 0 | 0 | 0 | 112.9 | S318 H319 D320 | S318-T322 PolarHBondContact O-N 2.93Å; S318-T322 PolarHBondContact O-OG1 3.36Å; H319-T322 PolarHBondContact O-N 3.03Å; H319-T322 PolarHBondContact O-OG1 2.85Å; H319-T322 VanDerWaalsContact O-OG1 3.08Å; D320-T322 VanDerWaalsContact C-N 3.31Å; D320-T322 PolarHBondContact O-N 3.19Å |
| 323 | L | 43 | Very low | 40 | Very low | 129 Ų | 129 | 105.7 Ų | 105.7 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76.8 | -28.4 | 170.5 | -78.8 | 160 | 0 | 0 | 0 | 112.9 | H319 D320 N325 | H319-L323 PolarHBondContact O-N 2.97Å; D320-L323 PolarHBondContact O-N 2.78Å; L323-N325 VanDerWaalsContact C-N 3.35Å; L323-N325 PolarHBondContact O-N 3.37Å |
| 324 | G | 33.4 | Very low | 39.3 | Very low | 54 Ų | 54 | 108.3 Ų | 108.3 | 56% | 0.557 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.4 | -20.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D320 | D320-G324 PolarHBondContact O-N 2.97Å |
| 325 | N | 34.9 | Very low | 38.7 | Very low | 128 Ų | 128 | 114.7 Ų | 114.7 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 0.1 | -175.9 | -85.4 | -2.1 | 0 | 0 | 0 | 115.1 | L323 | L323-N325 VanDerWaalsContact C-N 3.35Å; L323-N325 PolarHBondContact O-N 3.37Å |
| 326 | N | 36.7 | Very low | 38.1 | Very low | 135 Ų | 135 | 119.2 Ų | 119.2 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 8.8 | 179.1 | -79.5 | -25.6 | 0 | 0 | 0 | 114.7 | ||
| 327 | L | 40.5 | Very low | 37.4 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 85% | 0.848 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -102.4 | -0.6 | 173.9 | -121.7 | 89.1 | 0 | 0 | 0 | 115.5 | ||
| 328 | V | 40.8 | Very low | 37.1 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -140.6 | 69.6 | 176.7 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 329 | T | 38 | Very low | 36.9 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | trans | -142.1 | 53.7 | 164.2 | 1.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 330 | G | 38.4 | Very low | 36.4 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -113.7 | 50.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 331 | M | 30.7 | Very low | 36.4 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -138.2 | 99 | 166.9 | -80.6 | -172.2 | 170.9 | 0 | 0 | 109.6 | V333 | M331-V333 PolarHBondContact O-N 3.04Å; M331-V333 VanDerWaalsContact O-N 3.15Å | ||
| 332 | T | 33.6 | Very low | 36.4 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -64.8 | 107.7 | 165.7 | -48.8 | 0 | 0 | 0 | 0 | 108.2 | Q334 | T332-Q334 PolarHBondContact O-N 2.83Å; T332-Q334 VanDerWaalsContact O-N 3.16Å | ||
| 333 | V | 33.9 | Very low | 36.4 | Very low | 106 Ų | 106 | 136 Ų | 136 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | trans | -75.8 | 100.7 | 168.7 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | M331 W335 | M331-V333 PolarHBondContact O-N 3.04Å; M331-V333 VanDerWaalsContact O-N 3.15Å; V333-W335 PolarHBondContact O-N 2.75Å | ||
| 334 | Q | 31.1 | Very low | 36 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -70.6 | 109.7 | 165.7 | -105.9 | -178.9 | -23.6 | 0 | 0 | 108.8 | T332 T336 | T332-Q334 PolarHBondContact O-N 2.83Å; T332-Q334 VanDerWaalsContact O-N 3.16Å; Q334-T336 PolarHBondContact O-N 2.85Å; Q334-T336 VanDerWaalsContact O-N 3.16Å | ||
| 335 | W | 28.3 | Very low | 36.6 | Very low | 238 Ų | 238 | 148 Ų | 148 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -74.9 | 98.1 | 168.4 | -71.2 | 91.2 | 0 | 0 | 0 | 109.5 | V333 | V333-W335 PolarHBondContact O-N 2.75Š| ||
| 336 | T | 35.7 | Very low | 36.8 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -84.3 | 108.2 | 161.7 | 24.1 | 0 | 0 | 0 | 0 | 108.5 | Q334 A338 | Q334-T336 PolarHBondContact O-N 2.85Å; Q334-T336 VanDerWaalsContact O-N 3.16Å; T336-A338 PolarHBondContact O-N 3.36Å; T336-A338 VanDerWaalsContact O-N 3.11Å | ||
| 337 | R | 29.1 | Very low | 36.9 | Very low | 243 Ų | 243 | 147.6 Ų | 147.6 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -67.7 | 102.6 | 173.1 | 178 | -177.6 | -86.8 | 166.5 | -6.9 | 108.6 | ||||
| 338 | A | 35.1 | Very low | 36.7 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -87.4 | 108.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109 | T336 | T336-A338 PolarHBondContact O-N 3.36Å; T336-A338 VanDerWaalsContact O-N 3.11Å | ||
| 339 | S | 39.6 | Very low | 36.6 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -82.8 | 122.2 | 170.4 | 43.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 340 | G | 37.5 | Very low | 36.7 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | 178.7 | 134.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 341 | P | 43.9 | Very low | 36.5 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -93.6 | 127.4 | -175 | 35.3 | -27.7 | 0 | 0 | 0 | 110.4 | ||||
| 342 | D | 37.7 | Very low | 36.6 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 174.1 | 151.2 | 132.2 | -114.8 | -30 | 0 | 0 | 0 | 112.6 | ||||
| 343 | D | 42.1 | Very low | 36.6 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -52.7 | 136.9 | -179 | -73.8 | -43.9 | 0 | 0 | 0 | 115.7 | ||||
| 344 | R | 36 | Very low | 36.6 | Very low | 240 Ų | 240 | 154 Ų | 154 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | 157 | 128.8 | 120.9 | -84.5 | 172.8 | -157.1 | -169.3 | 6.1 | 112 | |||||
| 345 | Q | 44.5 | Very low | 36.7 | Very low | 195 Ų | 195 | 154 Ų | 154 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -61.7 | 125.2 | 170.9 | -78.2 | 160.5 | -19.6 | 0 | 0 | 112.2 | ||||
| 346 | T | 39.8 | Very low | 37.4 | Very low | 133 Ų | 133 | 157.3 Ų | 157.3 | 82% | 0.816 | 84% | 0.839 | S | S | * | * | trans | -150.4 | 147.1 | 145.6 | 41 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 347 | P | 37.9 | Very low | 37.5 | Very low | 123 Ų | 123 | 158.6 Ų | 158.6 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 131 | -174.2 | 32.3 | -31.6 | 0 | 0 | 0 | 111.5 | ||
| 348 | A | 37.1 | Very low | 38 | Very low | 96 Ų | 96 | 154.1 Ų | 154.1 | 79% | 0.793 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 118.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 349 | V | 38.9 | Very low | 38.1 | Very low | 133 Ų | 133 | 157.1 Ų | 157.1 | 81% | 0.806 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 120.5 | 165.9 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | ||
| 350 | T | 39.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 159.5 Ų | 159.5 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -105.4 | 111.5 | 173.9 | -54.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 351 | T | 35 | Very low | 38.1 | Very low | 118 Ų | 118 | 165.3 Ų | 165.3 | 72% | 0.724 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 124.4 | 170.4 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 352 | L | 31.7 | Very low | 37.7 | Very low | 170 Ų | 170 | 167.9 Ų | 167.9 | 89% | 0.89 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 116 | 171.4 | -99.8 | 148.3 | 0 | 0 | 0 | 109.9 | ||
| 353 | H | 33.8 | Very low | 37.7 | Very low | 168 Ų | 168 | 168.6 Ų | 168.6 | 78% | 0.778 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 117.5 | 165.7 | -137.3 | -82.4 | 0 | 0 | 0 | 109.1 | ||
| 354 | R | 34.9 | Very low | 37.4 | Very low | 238 Ų | 238 | 170.8 Ų | 170.8 | 90% | 0.898 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 118.4 | 174.2 | -156.7 | 179.3 | -161.2 | 178.9 | 4.9 | 107.9 | ||
| 355 | M | 33.7 | Very low | 37.5 | Very low | 173 Ų | 173 | 165 Ų | 165 | 85% | 0.852 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 138.3 | 159.8 | -85.5 | -174.8 | 175.2 | 0 | 0 | 108.2 | ||
| 356 | Y | 43 | Very low | 36.9 | Very low | 307 Ų | 307 | 162.3 Ų | 162.3 | 100% | 1.204 | 85% | 0.848 | S | S | * | * | trans | -59.5 | 0 | -177.8 | -87.7 | -92.9 | 0 | 0 | 0 | 113.4 |
Retrieved 356 of 356 residues in 147 ms
(Link to these results)