| 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 | 42.2 | Very low | 218 Ų | 218 | 128.5 Ų | 128.5 | 100% | 1.074 | 69% | 0.686 | S | S | * | * | 0 | 84.2 | 0 | -68.7 | 179.5 | 173.1 | 0 | 0 | 109.6 | |||||
| 2 | P | 35.3 | Very low | 42.3 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -106.9 | 23.9 | -179.2 | 29.9 | -11.2 | 0 | 0 | 0 | 112.9 | ||||
| 3 | G | 40.2 | Very low | 42.5 | Very low | 51 Ų | 51 | 123.1 Ų | 123.1 | 53% | 0.526 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -99.2 | -22.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 4 | T | 44.3 | Very low | 42.6 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -87.8 | -24.2 | -169.8 | 44.8 | 0 | 0 | 0 | 0 | 114.2 | M8 | T4-M8 PolarHBondContact O-N 2.97Å |
| 5 | M | 41.6 | Very low | 42.8 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 68% | 0.68 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88.7 | -26.8 | -177.3 | -154.5 | 157.2 | 74.5 | 0 | 0 | 113.6 | M9 | M5-M9 PolarHBondContact O-N 3.27Å |
| 6 | R | 44.2 | Very low | 43.2 | Very low | 207 Ų | 207 | 124.6 Ų | 124.6 | 78% | 0.781 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.8 | -34 | 167.7 | -85.2 | -176.6 | 170.8 | -175.9 | -3.3 | 111.5 | V10 | R6-V10 WeakPolarHBondContact O-CB 3.48Å; R6-V10 VanDerWaalsContact O-CG2 3.3Å; R6-V10 WeakPolarHBondContact O-CG2 3.28Å; R6-V10 PolarHBondContact O-N 3.25Å |
| 7 | M | 43.3 | Very low | 43.4 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.2 | -39.8 | 176.7 | -155.4 | 148.4 | 119.8 | 0 | 0 | 111.6 | M9 S11 | M7-M9 PolarHBondContact O-N 3.01Å; M7-S11 WeakPolarHBondContact O-CB 3.44Å; M7-S11 PolarHBondContact O-N 3.49Å; M7-S11 PolarHBondContact O-OG 3.39Å |
| 8 | M | 44.4 | Very low | 43.1 | Very low | 144 Ų | 144 | 121.6 Ų | 121.6 | 71% | 0.709 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -64.7 | -38.2 | 175.4 | -101.4 | 178.4 | 76.3 | 0 | 0 | 114.4 | T4 L12 | T4-M8 PolarHBondContact O-N 2.97Å; M8-L12 WeakPolarHBondContact O-CB 3.45Å; M8-L12 PolarHBondContact O-N 2.71Å |
| 9 | M | 43.9 | Very low | 43 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 70% | 0.7 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.3 | -33.4 | 179.3 | -70.6 | -156 | -163.4 | 0 | 0 | 113.1 | M5 M7 A13 | M5-M9 PolarHBondContact O-N 3.27Å; M7-M9 PolarHBondContact O-N 3.01Å; M9-A13 PolarHBondContact O-N 3.48Å |
| 10 | V | 46.6 | Very low | 43 | Very low | 87 Ų | 87 | 122.2 Ų | 122.2 | 53% | 0.527 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -73.4 | -36.8 | 173.4 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | R6 A13 L14 | R6-V10 WeakPolarHBondContact O-CB 3.48Å; R6-V10 VanDerWaalsContact O-CG2 3.3Å; R6-V10 WeakPolarHBondContact O-CG2 3.28Å; R6-V10 PolarHBondContact O-N 3.25Å; V10-A13 PolarHBondContact O-N 3.14Å; V10-L14 HydrophobicContact CG1-CD1 3.62Å; V10-L14 WeakPolarHBondContact O-CB 3.47Å; V10-L14 WeakPolarHBondContact O-CD1 3.34Å; V10-L14 PolarHBondContact O-N 3.49Å |
| 11 | S | 43.6 | Very low | 42.9 | Very low | 57 Ų | 57 | 124.9 Ų | 124.9 | 40% | 0.399 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -68.6 | -33.1 | 175.1 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | M7 L15 | M7-S11 WeakPolarHBondContact O-CB 3.44Å; M7-S11 PolarHBondContact O-N 3.49Å; M7-S11 PolarHBondContact O-OG 3.39Å; S11-L15 VanDerWaalsContact O-CB 3.32Å; S11-L15 WeakPolarHBondContact O-CB 3.25Å; S11-L15 WeakPolarHBondContact O-CD1 3.45Å; S11-L15 VanDerWaalsContact O-CG 3.28Å; S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.28Å |
| 12 | L | 43.7 | Very low | 42.9 | Very low | 122 Ų | 122 | 122 Ų | 122 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.4 | -31.2 | 175.2 | -145.8 | 80.6 | 0 | 0 | 0 | 112.4 | M8 | M8-L12 WeakPolarHBondContact O-CB 3.45Å; M8-L12 PolarHBondContact O-N 2.71Å |
| 13 | A | 44.8 | Very low | 42.9 | Very low | 64 Ų | 64 | 120.9 Ų | 120.9 | 53% | 0.529 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -75.3 | -33.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M9 V10 | M9-A13 PolarHBondContact O-N 3.48Å; V10-A13 PolarHBondContact O-N 3.14Å |
| 14 | L | 43.6 | Very low | 42.8 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 60% | 0.602 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.3 | -25.8 | 172.8 | -96.5 | 120.8 | 0 | 0 | 0 | 113.4 | V10 L16 V17 C18 | V10-L14 HydrophobicContact CG1-CD1 3.62Å; V10-L14 WeakPolarHBondContact O-CB 3.47Å; V10-L14 WeakPolarHBondContact O-CD1 3.34Å; V10-L14 PolarHBondContact O-N 3.49Å; L14-L16 VanDerWaalsContact C-N 3.27Å; L14-L16 PolarHBondContact O-N 2.93Å; L14-V17 PolarHBondContact O-N 3.45Å; L14-C18 WeakPolarHBondContact O-CB 3.34Å |
| 15 | L | 46.8 | Very low | 42.2 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -11.6 | 176.1 | -84.6 | 161.6 | 0 | 0 | 0 | 114.3 | S11 | S11-L15 VanDerWaalsContact O-CB 3.32Å; S11-L15 WeakPolarHBondContact O-CB 3.25Å; S11-L15 WeakPolarHBondContact O-CD1 3.45Å; S11-L15 VanDerWaalsContact O-CG 3.28Å; S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.28Å |
| 16 | L | 48.7 | Very low | 41.8 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -4.4 | 175.9 | -79.4 | 164 | 0 | 0 | 0 | 114 | L14 | L14-L16 VanDerWaalsContact C-N 3.27Å; L14-L16 PolarHBondContact O-N 2.93Å |
| 17 | V | 46 | Very low | 41.3 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -3.5 | -179.5 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | L14 | L14-V17 PolarHBondContact O-N 3.45Š|
| 18 | C | 38.9 | Very low | 40.8 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 56% | 0.561 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 10.7 | -168.4 | -137.7 | 0 | 0 | 0 | 0 | 119.2 | L14 | L14-C18 WeakPolarHBondContact O-CB 3.34Š|
| 19 | P | 40.3 | Very low | 40.3 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 11.6 | 167.9 | 36.2 | -30.2 | 0 | 0 | 0 | 113.2 | ||
| 20 | L | 43.1 | Very low | 40.1 | Very low | 142 Ų | 142 | 123.6 Ų | 123.6 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -104.2 | 1.5 | -178.5 | -129.9 | 91.4 | 0 | 0 | 0 | 115.8 | ||
| 21 | F | 40.6 | Very low | 40 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -140.9 | 19.9 | -173 | -82.2 | -70.5 | 0 | 0 | 0 | 117.4 | ||
| 22 | L | 36.5 | Very low | 40.5 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -139.3 | 84.1 | 170.5 | -73.2 | 174.8 | 0 | 0 | 0 | 111.9 | ||||
| 23 | A | 36.4 | Very low | 40.9 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -156.9 | 61.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 24 | I | 37.7 | Very low | 41.5 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -145.4 | 107.4 | 162.3 | -54.4 | 178.3 | 0 | 0 | 0 | 101.3 | ||||
| 25 | D | 31.3 | Very low | 42.9 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | -153.6 | 152.2 | 52.2 | -84.2 | -52.8 | 0 | 0 | 0 | 110.3 | |||||
| 26 | A | 34.2 | Very low | 44.9 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 69% | 0.686 | 74% | 0.738 | S | S | * | * | 159.5 | 91.6 | 127.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 27 | F | 32.3 | Very low | 46.9 | Very low | 211 Ų | 211 | 130.3 Ų | 130.3 | 93% | 0.925 | 72% | 0.721 | S | S | * | * | trans | -137.1 | 113.8 | 144.3 | -80.8 | -75.3 | 0 | 0 | 0 | 106.6 | ||||
| 28 | G | 33.8 | Very low | 49.2 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | trans | -69.4 | 130.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | D30 | G28-D30 PolarHBondContact O-N 3.47Å; G28-D30 VanDerWaalsContact O-N 3.14Å | ||
| 29 | D | 33.7 | Very low | 51.9 | Low | 159 Ų | 159 | 125 Ų | 125 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | trans | -70.3 | 99.5 | 166.7 | -77.3 | -33 | 0 | 0 | 0 | 107.9 | ||||
| 30 | D | 40.6 | Very low | 54.4 | Low | 158 Ų | 158 | 128.4 Ų | 128.4 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | trans | -76.7 | 109.8 | 148.6 | -76.6 | -42.6 | 0 | 0 | 0 | 105.6 | G28 E32 | G28-D30 PolarHBondContact O-N 3.47Å; G28-D30 VanDerWaalsContact O-N 3.14Å; D30-E32 PolarHBondContact O-N 3.38Å | ||
| 31 | E | 44.7 | Very low | 56.9 | Low | 193 Ų | 193 | 121.7 Ų | 121.7 | 90% | 0.902 | 65% | 0.65 | S | S | * | * | trans | -63 | 84.6 | 170.6 | -98.7 | -177.7 | 137.6 | 0 | 0 | 108.9 | E33 | E31-E33 PolarHBondContact O-N 3.33Š| ||
| 32 | E | 52.8 | Low | 59.3 | Low | 181 Ų | 181 | 117.1 Ų | 117.1 | 85% | 0.846 | 64% | 0.64 | S | S | * | * | trans | -71.9 | 120.7 | 167.1 | -123.3 | 176.7 | -173.5 | 0 | 0 | 108.3 | D30 M34 | D30-E32 PolarHBondContact O-N 3.38Å; E32-M34 PolarHBondContact O-N 3.44Å; E32-M34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | E | 52.5 | Low | 61.9 | Low | 178 Ų | 178 | 111.3 Ų | 111.3 | 83% | 0.832 | 61% | 0.609 | S | S | * | * | trans | -52.4 | 114.3 | -175.9 | -148.9 | 170 | -166 | 0 | 0 | 110.6 | E31 T35 | E31-E33 PolarHBondContact O-N 3.33Å; E33-T35 PolarHBondContact O-N 2.88Å | ||
| 34 | M | 56.5 | Low | 64.6 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 53% | 0.527 | 57% | 0.569 | S | S | . | * | trans | -66.8 | 105.3 | -172.9 | -63.8 | -168 | -134 | 0 | 0 | 111.2 | E32 K53 P102 | E32-M34 PolarHBondContact O-N 3.44Å; E32-M34 VanDerWaalsContact O-N 3.11Å; M34-K53 VanDerWaalsContact CG-NZ 3.32Å; M34-K53 PolarHBondContact SD-NZ 3.15Å; M34-P102 HydrophobicContact CE-CB 3.72Å; M34-P102 HydrophobicContact SD-CB 3.88Å | ||
| 35 | T | 74.1 | Confident | 67.2 | Low | 99 Ų | 99 | 104.5 Ų | 104.5 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | trans | -118.3 | 130.3 | 176 | 44 | 0 | 0 | 0 | 0 | 110.7 | E33 | E33-T35 PolarHBondContact O-N 2.88Š| ||
| 36 | C | 88.7 | Confident | 69.7 | Low | 31 Ų | 31 | 100.5 Ų | 100.5 | 21% | 0.209 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -78.2 | 134.8 | 175.2 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | V51 C97 | C36-V51 HydrophobicContact CB-CB 3.98Å; C36-V51 HydrophobicContact CB-CG2 4.1Å; C36-C97 VanDerWaalsContact CA-SG 3.58Å; C36-C97 HydrophobicContact CB-CB 3.7Å; C36-C97 WeakPolarHBondContact CB-SG 3.45Å; C36-C97 WeakPolarHBondContact SG-CB 3.49Å; C36-C97 CovalentContact SG-SG 2.03Å; C36-C97 PolarHBondContact SG-SG 2.89Å |
| 37 | D | 90.8 | Very high | 72 | Confident | 76 Ų | 76 | 98.1 Ų | 98.1 | 41% | 0.406 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 146.5 | 179.3 | -82.3 | -37.6 | 0 | 0 | 0 | 112.3 | V51 T52 | D37-V51 CarbonylContact O-C 3.49Å; D37-V51 VanDerWaalsContact O-CA 3.23Å; D37-V51 WeakPolarHBondContact O-CA 3.33Å; D37-T52 PolarHBondContact N-O 3.36Å; D37-T52 PolarHBondContact O-N 2.95Å |
| 38 | P | 93.4 | Very high | 74.5 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 142.8 | 175.2 | 27.5 | -33.9 | 0 | 0 | 0 | 112 | R40 N50 Q63 | P38-R40 PolarHBondContact O-N 3.34Å; P38-N50 WeakPolarHBondContact CA-O 3.05Å; P38-Q63 PolarHBondContact O-NE2 3.05Å |
| 39 | I | 95.7 | Very high | 77.2 | Confident | 11 Ų | 11 | 89 Ų | 89 | 6% | 0.056 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -73 | 117.7 | 177.3 | -61.4 | 169.3 | 0 | 0 | 0 | 109.9 | I41 C44 Q45 Y49 N50 T52 V94 | I39-I41 HydrophobicContact CG2-CB 4.39Å; I39-C44 HydrophobicContact CG2-CB 4.11Å; I39-Q45 PolarHBondContact O-NE2 3.32Å; I39-Y49 HydrophobicContact CD1-CD2 3.66Å; I39-Y49 HydrophobicContact CD1-CE2 3.48Å; I39-Y49 VanDerWaalsContact CD1-CE2 3.48Å; I39-N50 PolarHBondContact N-O 3.02Å; I39-T52 HydrophobicContact CG1-CG2 3.83Å; I39-V94 HydrophobicContact CG2-CG2 4.41Å |
| 40 | R | 93.8 | Very high | 80 | Confident | 184 Ų | 184 | 86.6 Ų | 86.6 | 69% | 0.694 | 48% | 0.475 | S | S | * | . | trans | -96 | -16.3 | -179.6 | -59.4 | -177.1 | -173.6 | 176.3 | 3.6 | 113.2 | P38 S42 | P38-R40 PolarHBondContact O-N 3.34Å; R40-S42 PolarHBondContact O-N 3.48Å | ||
| 41 | I | 94.7 | Very high | 82.5 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.005 | 45% | 0.451 | C | S | . | . | trans | -72.6 | 113.8 | -177.7 | -53.3 | -174.1 | 0 | 0 | 0 | 110.1 | I39 M43 C44 Q45 Q63 A66 E67 L70 V94 | I39-I41 HydrophobicContact CG2-CB 4.39Å; I41-M43 VanDerWaalsContact C-N 3.33Å; I41-M43 HydrophobicContact CG2-CG 3.77Å; I41-M43 PolarHBondContact O-N 3.42Å; I41-C44 HydrophobicContact CB-CB 4.31Å; I41-C44 HydrophobicContact CG2-CB 4.38Å; I41-C44 PolarHBondContact O-N 2.96Å; I41-Q45 PolarHBondContact O-N 2.87Å; I41-Q63 HydrophobicContact CD1-CB 4.47Å; I41-Q63 WeakPolarHBondContact CD1-O 3.37Å; I41-Q63 HydrophobicContact CG1-CB 4.33Å; I41-A66 HydrophobicContact CD1-CB 4.05Å; I41-E67 HydrophobicContact CD1-CB 4.01Å; I41-E67 HydrophobicContact CG1-CB 4.05Å; I41-E67 HydrophobicContact CG2-CB 4.17Å; I41-E67 HydrophobicContact CG2-CG 3.98Å; I41-L70 HydrophobicContact CD1-CD1 3.91Å; I41-L70 HydrophobicContact CG2-CD1 4.15Å; I41-V94 HydrophobicContact CD1-CG1 3.48Å; I41-V94 VanDerWaalsContact CD1-CG1 3.48Å; I41-V94 HydrophobicContact CG1-CG1 4.26Å | ||
| 42 | S | 91.4 | Very high | 84.8 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 57% | 0.573 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -54.7 | -42.9 | -173 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | R40 C44 Q45 | R40-S42 PolarHBondContact O-N 3.48Å; S42-C44 PolarHBondContact O-N 3.35Å; S42-Q45 PolarHBondContact O-N 3.02Å |
| 43 | M | 91.1 | Very high | 86.6 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 17% | 0.172 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -70.8 | -17.5 | 179.9 | 65.3 | 179 | -68.9 | 0 | 0 | 113.8 | I41 L70 I77 K86 | I41-M43 VanDerWaalsContact C-N 3.33Å; I41-M43 HydrophobicContact CG2-CG 3.77Å; I41-M43 PolarHBondContact O-N 3.42Å; M43-L70 HydrophobicContact SD-CB 3.82Å; M43-I77 HydrophobicContact CE-CD1 3.3Å; M43-K86 WeakPolarHBondContact O-CE 3.22Å; M43-K86 PolarHBondContact O-NZ 3.49Å |
| 44 | C | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -104.8 | 8.1 | -178.3 | -61 | 0 | 0 | 0 | 0 | 113.8 | I39 I41 S42 L47 C90 V94 | I39-C44 HydrophobicContact CG2-CB 4.11Å; I41-C44 HydrophobicContact CB-CB 4.31Å; I41-C44 HydrophobicContact CG2-CB 4.38Å; I41-C44 PolarHBondContact O-N 2.96Å; S42-C44 PolarHBondContact O-N 3.35Å; C44-L47 HydrophobicContact CB-CD1 4.03Å; C44-L47 WeakPolarHBondContact O-CD1 3.34Å; C44-L47 WeakPolarHBondContact O-CG 3.29Å; C44-C90 WeakPolarHBondContact CA-SG 3.22Å; C44-C90 HydrophobicContact CB-CB 3.68Å; C44-C90 WeakPolarHBondContact CB-SG 3.32Å; C44-C90 WeakPolarHBondContact SG-CB 3.35Å; C44-C90 CovalentContact SG-SG 2.04Å; C44-C90 PolarHBondContact SG-SG 2.9Å; C44-V94 HydrophobicContact CB-CG2 3.54Å |
| 45 | Q | 92.2 | Very high | 90.1 | Very high | 105 Ų | 105 | 58 Ų | 58 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 148.3 | 172.7 | -70.6 | 173.9 | -13.8 | 0 | 0 | 111.3 | I39 I41 S42 | I39-Q45 PolarHBondContact O-NE2 3.32Å; I41-Q45 PolarHBondContact O-N 2.87Å; S42-Q45 PolarHBondContact O-N 3.02Å |
| 46 | G | 83.9 | Confident | 90.9 | Very high | 68 Ų | 68 | 53.6 Ų | 53.6 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 21.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | G48 | G46-G48 VanDerWaalsContact C-N 3.31Å; G46-G48 PolarHBondContact O-N 3.24Å |
| 47 | L | 81 | Confident | 91 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -86.3 | 7 | -179.8 | -64.4 | 179.6 | 0 | 0 | 0 | 114.3 | C44 Y49 F87 C90 | C44-L47 HydrophobicContact CB-CD1 4.03Å; C44-L47 WeakPolarHBondContact O-CD1 3.34Å; C44-L47 WeakPolarHBondContact O-CG 3.29Å; L47-Y49 HydrophobicContact CB-CE1 4.27Å; L47-F87 HydrophobicContact CB-CD2 4.02Å; L47-F87 HydrophobicContact CB-CE2 4.18Å; L47-F87 HydrophobicContact CD1-CD2 4.45Å; L47-F87 HydrophobicContact CD2-CD2 4.21Å; L47-F87 HydrophobicContact CG-CD2 4.46Å; L47-F87 WeakPolarHBondContact O-CE2 3.34Å; L47-C90 HydrophobicContact CD1-CB 3.19Å; L47-C90 VanDerWaalsContact CD1-SG 3.58Å |
| 48 | G | 84.9 | Confident | 91 | Very high | 80 Ų | 80 | 53.8 Ų | 53.8 | 83% | 0.825 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 97.9 | -7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G46 | G46-G48 VanDerWaalsContact C-N 3.31Å; G46-G48 PolarHBondContact O-N 3.24Å |
| 49 | Y | 90.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | trans | -141.6 | 153.4 | 167.3 | 66.6 | -82.1 | 0 | 0 | 0 | 109.8 | I39 L47 F87 C90 V94 M96 M150 | I39-Y49 HydrophobicContact CD1-CD2 3.66Å; I39-Y49 HydrophobicContact CD1-CE2 3.48Å; I39-Y49 VanDerWaalsContact CD1-CE2 3.48Å; L47-Y49 HydrophobicContact CB-CE1 4.27Å; Y49-F87 HydrophobicContact CE1-CE2 4.24Å; Y49-C90 PolarHBondContact OH-O 2.91Å; Y49-V94 WeakPolarHBondContact CE2-O 3.28Å; Y49-V94 PolarHBondContact OH-O 2.88Å; Y49-M96 HydrophobicContact CD1-CB 4.32Å; Y49-M96 HydrophobicContact CD2-CB 3.75Å; Y49-M96 HydrophobicContact CD2-CG 4.06Å; Y49-M96 HydrophobicContact CE2-CB 4Å; Y49-M96 HydrophobicContact CG-CB 3.92Å; Y49-M96 HydrophobicContact CG-CG 4Å; Y49-M96 HydrophobicContact CG-SD 4.45Å; Y49-M150 HydrophobicContact CD1-SD 4.15Å; Y49-M150 HydrophobicContact CE1-CE 4.44Å; Y49-M150 HydrophobicContact CE1-SD 3.81Å | ||
| 50 | N | 92.1 | Very high | 90.7 | Very high | 109 Ų | 109 | 53 Ų | 53 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | trans | -126.2 | -0.8 | -172.2 | -69.3 | -26 | 0 | 0 | 0 | 114 | P38 I39 | P38-N50 WeakPolarHBondContact CA-O 3.05Å; I39-N50 PolarHBondContact N-O 3.02Å | ||
| 51 | V | 92.9 | Very high | 90.5 | Very high | 56 Ų | 56 | 49 Ų | 49 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142 | -178.4 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | C36 D37 C97 | C36-V51 HydrophobicContact CB-CB 3.98Å; C36-V51 HydrophobicContact CB-CG2 4.1Å; D37-V51 CarbonylContact O-C 3.49Å; D37-V51 VanDerWaalsContact O-CA 3.23Å; D37-V51 WeakPolarHBondContact O-CA 3.33Å; V51-C97 PolarHBondContact O-N 3.39Å |
| 52 | T | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 165.3 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | D37 I39 Q63 V94 P95 | D37-T52 PolarHBondContact N-O 3.36Å; D37-T52 PolarHBondContact O-N 2.95Å; I39-T52 HydrophobicContact CG1-CG2 3.83Å; T52-Q63 HydrophobicContact CG2-CG 4.38Å; T52-Q63 VanDerWaalsContact CG2-NE2 3.32Å; T52-V94 HydrophobicContact CG2-CB 4.42Å; T52-V94 HydrophobicContact CG2-CG1 4.4Å; T52-V94 WeakPolarHBondContact OG1-CA 3.49Å; T52-P95 VanDerWaalsContact CA-O 3.27Å; T52-P95 WeakPolarHBondContact CA-O 3.05Å; T52-P95 VanDerWaalsContact CB-O 3.31Å; T52-P95 WeakPolarHBondContact CB-O 3.49Å; T52-P95 PolarHBondContact OG1-O 2.9Å |
| 53 | K | 89.9 | Confident | 90.6 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 20% | 0.2 | 32% | 0.32 | C | S | . | . | trans | -121.6 | 142.9 | 169.8 | -175 | 173.2 | 175.9 | -175.2 | 0 | 109.3 | M34 C97 P102 | M34-K53 VanDerWaalsContact CG-NZ 3.32Å; M34-K53 PolarHBondContact SD-NZ 3.15Å; K53-C97 HydrophobicContact CB-CB 3.97Å; K53-P102 PolarHBondContact NZ-O 3.3Å | ||
| 54 | M | 90.1 | Very high | 90.7 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 17% | 0.167 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -107.9 | 148 | 170.8 | -55.9 | -54.6 | -77 | 0 | 0 | 109.3 | N56 N60 V61 Q63 | M54-N56 HydrophobicContact CE-CB 4.12Å; M54-N56 HydrophobicContact SD-CB 4.21Å; M54-N60 HydrophobicContact CE-CB 4.05Å; M54-N60 WeakPolarHBondContact CE-O 3.49Å; M54-V61 VanDerWaalsContact CB-O 3.22Å; M54-V61 WeakPolarHBondContact CB-O 3.44Å; M54-V61 WeakPolarHBondContact CG-O 3.41Å; M54-Q63 HydrophobicContact CE-CG 4.5Å; M54-Q63 HydrophobicContact CG-CG 4.26Å; M54-Q63 HydrophobicContact SD-CG 4Å |
| 55 | P | 91.8 | Very high | 90.7 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | S | Bend | cis | -68.4 | 148.2 | -1.6 | 29.4 | -34.8 | 0 | 0 | 0 | 113.1 | N60 | P55-N60 CarbonylContact C-O 3.59Å; P55-N60 WeakPolarHBondContact CA-O 3.49Å; P55-N60 WeakPolarHBondContact CB-O 3.28Å |
| 56 | N | 91.9 | Very high | 90.8 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | trans | -75.1 | -179.3 | 176.4 | 69.1 | 15.8 | 0 | 0 | 0 | 111.7 | M54 V58 G59 N60 Y93 P95 | M54-N56 HydrophobicContact CE-CB 4.12Å; M54-N56 HydrophobicContact SD-CB 4.21Å; N56-V58 PolarHBondContact O-N 2.8Å; N56-V58 VanDerWaalsContact O-N 3.09Å; N56-V58 WeakPolarHBondContact OD1-CA 3.32Å; N56-V58 PolarHBondContact OD1-N 3.41Å; N56-G59 PolarHBondContact O-N 3.42Å; N56-G59 PolarHBondContact OD1-N 3.41Å; N56-N60 PolarHBondContact N-O 3.1Å; N56-N60 WeakPolarHBondContact ND2-CB 3.36Å; N56-N60 PolarHBondContact ND2-OD1 3.46Å; N56-N60 PolarHBondContact OD1-N 2.93Å; N56-N60 PolarHBondContact OD1-OD1 3.02Å; N56-Y93 WeakPolarHBondContact CB-O 3.32Å; N56-Y93 PolarHBondContact ND2-O 3.35Å; N56-P95 HydrophobicContact CB-CG 4.45Å | ||
| 57 | L | 90.5 | Very high | 91.3 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.8 | -177.9 | -57.3 | -178.3 | 0 | 0 | 0 | 114.2 | V92 P95 P104 F139 | L57-V92 HydrophobicContact CB-CG1 4.42Å; L57-V92 PolarHBondContact N-O 3.28Å; L57-P95 HydrophobicContact CD1-CB 4.42Å; L57-P95 HydrophobicContact CG-CB 4.31Å; L57-P95 HydrophobicContact CG-CG 4.23Å; L57-P104 HydrophobicContact CD2-CG 4.1Å; L57-F139 HydrophobicContact CD1-CE1 4.32Å |
| 58 | V | 91.4 | Very high | 91.9 | Very high | 36 Ų | 36 | 55 Ų | 55 | 22% | 0.218 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -3.8 | 178.3 | -170.4 | 0 | 0 | 0 | 0 | 111.3 | N56 V92 Y93 V133 | N56-V58 PolarHBondContact O-N 2.8Å; N56-V58 VanDerWaalsContact O-N 3.09Å; N56-V58 WeakPolarHBondContact OD1-CA 3.32Å; N56-V58 PolarHBondContact OD1-N 3.41Å; V58-V92 HydrophobicContact CG2-CG1 3.47Å; V58-V92 VanDerWaalsContact CG2-CG1 3.47Å; V58-Y93 HydrophobicContact CB-CD1 4.47Å; V58-Y93 HydrophobicContact CB-CE1 4.13Å; V58-Y93 HydrophobicContact CG1-CE1 4.11Å; V58-Y93 HydrophobicContact CG2-CD1 4.12Å; V58-Y93 HydrophobicContact CG2-CE1 3.84Å; V58-V133 HydrophobicContact CG1-CB 3.84Å; V58-V133 HydrophobicContact CG1-CG1 3.81Å; V58-V133 HydrophobicContact CG1-CG2 4.18Å; V58-V133 HydrophobicContact CG2-CB 4.41Å |
| 59 | G | 89 | Confident | 92.3 | Very high | 51 Ų | 51 | 55 Ų | 55 | 53% | 0.526 | 31% | 0.311 | S | S | . | . | trans | 86.4 | 11.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | N56 | N56-G59 PolarHBondContact O-N 3.42Å; N56-G59 PolarHBondContact OD1-N 3.41Å | ||
| 60 | N | 92.4 | Very high | 92.4 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 10% | 0.096 | 31% | 0.309 | C | S | . | . | trans | -70.1 | 135.8 | 170.6 | -50.7 | 118.5 | 0 | 0 | 0 | 109.3 | M54 P55 N56 D65 A66 Q69 | M54-N60 HydrophobicContact CE-CB 4.05Å; M54-N60 WeakPolarHBondContact CE-O 3.49Å; P55-N60 CarbonylContact C-O 3.59Å; P55-N60 WeakPolarHBondContact CA-O 3.49Å; P55-N60 WeakPolarHBondContact CB-O 3.28Å; N56-N60 PolarHBondContact N-O 3.1Å; N56-N60 WeakPolarHBondContact ND2-CB 3.36Å; N56-N60 PolarHBondContact ND2-OD1 3.46Å; N56-N60 PolarHBondContact OD1-N 2.93Å; N56-N60 PolarHBondContact OD1-OD1 3.02Å; N60-D65 HydrophobicContact CB-CB 4.42Å; N60-A66 HydrophobicContact CB-CB 4.32Å; N60-Q69 PolarHBondContact ND2-OE1 3.16Å | ||
| 61 | V | 90.8 | Very high | 92.4 | Very high | 101 Ų | 101 | 52.2 Ų | 52.2 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -93.5 | -27.5 | 178.2 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | M54 | M54-V61 VanDerWaalsContact CB-O 3.22Å; M54-V61 WeakPolarHBondContact CB-O 3.44Å; M54-V61 WeakPolarHBondContact CG-O 3.41Å |
| 62 | L | 92.4 | Very high | 92.3 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 51% | 0.508 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -111.5 | 138.2 | 179.3 | -58.9 | 174.7 | 0 | 0 | 0 | 111.2 | S64 D65 A66 | L62-S64 PolarHBondContact O-N 3.48Å; L62-D65 PolarHBondContact O-N 3.15Å; L62-D65 VanDerWaalsContact O-N 3.16Å; L62-A66 PolarHBondContact O-N 3.09Å |
| 63 | Q | 94.6 | Very high | 92.3 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -28.2 | 175.3 | -71 | -170.4 | 39.4 | 0 | 0 | 112.5 | P38 I41 T52 M54 D65 A66 E67 | P38-Q63 PolarHBondContact O-NE2 3.05Å; I41-Q63 HydrophobicContact CD1-CB 4.47Å; I41-Q63 WeakPolarHBondContact CD1-O 3.37Å; I41-Q63 HydrophobicContact CG1-CB 4.33Å; T52-Q63 HydrophobicContact CG2-CG 4.38Å; T52-Q63 VanDerWaalsContact CG2-NE2 3.32Å; M54-Q63 HydrophobicContact CE-CG 4.5Å; M54-Q63 HydrophobicContact CG-CG 4.26Å; M54-Q63 HydrophobicContact SD-CG 4Å; Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 3.43Å; Q63-A66 PolarHBondContact O-N 3.07Å; Q63-E67 WeakPolarHBondContact O-CB 3.2Å; Q63-E67 PolarHBondContact O-N 2.98Å |
| 64 | S | 94.2 | Very high | 92.2 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -35.4 | 174.8 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | L62 E67 L68 | L62-S64 PolarHBondContact O-N 3.48Å; S64-E67 PolarHBondContact O-N 3.5Å; S64-L68 PolarHBondContact O-N 3.47Å; S64-L68 VanDerWaalsContact O-N 3.08Å |
| 65 | D | 93.3 | Very high | 92.1 | Very high | 74 Ų | 74 | 58 Ų | 58 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.5 | -39.1 | 179.8 | -59.2 | -14.8 | 0 | 0 | 0 | 110.4 | N60 L62 Q63 E67 L68 Q69 | N60-D65 HydrophobicContact CB-CB 4.42Å; L62-D65 PolarHBondContact O-N 3.15Å; L62-D65 VanDerWaalsContact O-N 3.16Å; Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 3.43Å; D65-E67 VanDerWaalsContact C-N 3.33Å; D65-L68 PolarHBondContact O-N 3.41Å; D65-Q69 PolarHBondContact O-N 3.34Å; D65-Q69 VanDerWaalsContact O-N 3.15Å |
| 66 | A | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I41 N60 L62 Q63 Q69 L70 Y93 | I41-A66 HydrophobicContact CD1-CB 4.05Å; N60-A66 HydrophobicContact CB-CB 4.32Å; L62-A66 PolarHBondContact O-N 3.09Å; Q63-A66 PolarHBondContact O-N 3.07Å; A66-Q69 PolarHBondContact O-N 3.08Å; A66-L70 WeakPolarHBondContact O-CB 3.45Å; A66-L70 VanDerWaalsContact O-CG 3.29Å; A66-L70 WeakPolarHBondContact O-CG 3.31Å; A66-L70 PolarHBondContact O-N 3.11Å; A66-Y93 HydrophobicContact CB-CD1 4.34Å |
| 67 | E | 95.3 | Very high | 91.7 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 175.4 | -175.2 | 163 | -142 | 0 | 0 | 111.5 | I41 Q63 S64 D65 Q69 L70 T71 | I41-E67 HydrophobicContact CD1-CB 4.01Å; I41-E67 HydrophobicContact CG1-CB 4.05Å; I41-E67 HydrophobicContact CG2-CB 4.17Å; I41-E67 HydrophobicContact CG2-CG 3.98Å; Q63-E67 WeakPolarHBondContact O-CB 3.2Å; Q63-E67 PolarHBondContact O-N 2.98Å; S64-E67 PolarHBondContact O-N 3.5Å; D65-E67 VanDerWaalsContact C-N 3.33Å; E67-Q69 VanDerWaalsContact C-N 3.31Å; E67-Q69 PolarHBondContact O-N 2.99Å; E67-L70 PolarHBondContact O-N 3.07Å; E67-T71 VanDerWaalsContact O-CG2 3.31Å; E67-T71 WeakPolarHBondContact O-CG2 3.42Å; E67-T71 PolarHBondContact O-N 2.99Å |
| 68 | L | 93.4 | Very high | 91.5 | Very high | 120 Ų | 120 | 60.6 Ų | 60.6 | 63% | 0.628 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.2 | -44 | 176.9 | -176.7 | 64.4 | 0 | 0 | 0 | 111.5 | S64 D65 T71 | S64-L68 PolarHBondContact O-N 3.47Å; S64-L68 VanDerWaalsContact O-N 3.08Å; D65-L68 PolarHBondContact O-N 3.41Å; L68-T71 PolarHBondContact O-N 3.49Å; L68-T71 PolarHBondContact O-OG1 3.5Å |
| 69 | Q | 92.7 | Very high | 91.3 | Very high | 78 Ų | 78 | 65.1 Ų | 65.1 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 177.3 | -68.7 | -171.4 | -12.3 | 0 | 0 | 112.2 | N60 D65 A66 E67 T71 T72 Y93 | N60-Q69 PolarHBondContact ND2-OE1 3.16Å; D65-Q69 PolarHBondContact O-N 3.34Å; D65-Q69 VanDerWaalsContact O-N 3.15Å; A66-Q69 PolarHBondContact O-N 3.08Å; E67-Q69 VanDerWaalsContact C-N 3.31Å; E67-Q69 PolarHBondContact O-N 2.99Å; Q69-T71 VanDerWaalsContact C-N 3.31Å; Q69-T71 PolarHBondContact O-N 3.38Å; Q69-T72 WeakPolarHBondContact O-CB 3.48Å; Q69-T72 PolarHBondContact O-N 3.38Å; Q69-T72 PolarHBondContact O-OG1 3.27Å; Q69-Y93 HydrophobicContact CB-CE1 3.87Å; Q69-Y93 VanDerWaalsContact OE1-CE1 3.27Å |
| 70 | L | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -37.8 | 175.7 | -79.1 | 169.9 | 0 | 0 | 0 | 112.6 | I41 M43 A66 E67 T72 F73 L89 Y93 | I41-L70 HydrophobicContact CD1-CD1 3.91Å; I41-L70 HydrophobicContact CG2-CD1 4.15Å; M43-L70 HydrophobicContact SD-CB 3.82Å; A66-L70 WeakPolarHBondContact O-CB 3.45Å; A66-L70 VanDerWaalsContact O-CG 3.29Å; A66-L70 WeakPolarHBondContact O-CG 3.31Å; A66-L70 PolarHBondContact O-N 3.11Å; E67-L70 PolarHBondContact O-N 3.07Å; L70-T72 PolarHBondContact O-N 3.29Å; L70-F73 WeakPolarHBondContact O-CB 3.4Å; L70-F73 PolarHBondContact O-N 3.47Å; L70-L89 HydrophobicContact CD2-CB 3.67Å; L70-Y93 HydrophobicContact CD1-CG 4.34Å; L70-Y93 HydrophobicContact CD2-CD2 3.46Å; L70-Y93 VanDerWaalsContact CD2-CD2 3.46Å; L70-Y93 HydrophobicContact CD2-CE2 4.19Å; L70-Y93 HydrophobicContact CD2-CG 3.82Å; L70-Y93 HydrophobicContact CG-CD1 4.46Å; L70-Y93 HydrophobicContact CG-CD2 3.98Å; L70-Y93 HydrophobicContact CG-CG 3.83Å |
| 71 | T | 92.3 | Very high | 91 | Very high | 65 Ų | 65 | 65.3 Ų | 65.3 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.8 | -26.3 | 179 | 60.8 | 0 | 0 | 0 | 0 | 113 | E67 L68 Q69 F73 T74 | E67-T71 VanDerWaalsContact O-CG2 3.31Å; E67-T71 WeakPolarHBondContact O-CG2 3.42Å; E67-T71 PolarHBondContact O-N 2.99Å; L68-T71 PolarHBondContact O-N 3.49Å; L68-T71 PolarHBondContact O-OG1 3.5Å; Q69-T71 VanDerWaalsContact C-N 3.31Å; Q69-T71 PolarHBondContact O-N 3.38Å; T71-F73 PolarHBondContact O-N 3.33Å; T71-T74 WeakPolarHBondContact CA-OG1 3.39Å; T71-T74 VanDerWaalsContact O-CB 3.24Å; T71-T74 WeakPolarHBondContact O-CB 3.44Å; T71-T74 PolarHBondContact O-N 2.88Å; T71-T74 PolarHBondContact O-OG1 3.49Å |
| 72 | T | 91.1 | Very high | 91 | Very high | 98 Ų | 98 | 61 Ų | 61 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.7 | 175.2 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | Q69 L70 P75 | Q69-T72 WeakPolarHBondContact O-CB 3.48Å; Q69-T72 PolarHBondContact O-N 3.38Å; Q69-T72 PolarHBondContact O-OG1 3.27Å; L70-T72 PolarHBondContact O-N 3.29Å; T72-P75 WeakPolarHBondContact O-CD 3.35Å |
| 73 | F | 92.2 | Very high | 90.9 | Very high | 23 Ų | 23 | 60.7 Ų | 60.7 | 10% | 0.101 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -3.7 | 176.1 | -65 | -76.8 | 0 | 0 | 0 | 113.5 | L70 T71 P75 L76 I77 L89 Y93 P131 L134 | L70-F73 WeakPolarHBondContact O-CB 3.4Å; L70-F73 PolarHBondContact O-N 3.47Å; T71-F73 PolarHBondContact O-N 3.33Å; F73-P75 VanDerWaalsContact C-CD 3.45Å; F73-L76 HydrophobicContact CD1-CD2 4.48Å; F73-L76 WeakPolarHBondContact O-CB 3.42Å; F73-L76 PolarHBondContact O-N 2.93Å; F73-I77 HydrophobicContact CB-CD1 4.33Å; F73-I77 WeakPolarHBondContact O-CG1 3.24Å; F73-I77 PolarHBondContact O-N 3.47Å; F73-L89 HydrophobicContact CB-CD1 3.55Å; F73-L89 HydrophobicContact CD1-CD1 4.34Å; F73-L89 HydrophobicContact CD1-CD2 4.31Å; F73-L89 HydrophobicContact CD2-CD1 4.27Å; F73-L89 HydrophobicContact CD2-CD2 4.05Å; F73-L89 HydrophobicContact CE1-CD2 4.43Å; F73-L89 HydrophobicContact CE2-CD2 4.18Å; F73-L89 HydrophobicContact CG-CD1 3.82Å; F73-L89 HydrophobicContact CG-CD2 4.11Å; F73-L89 HydrophobicContact CZ-CD2 4.37Å; F73-Y93 HydrophobicContact CE2-CE2 4.12Å; F73-P131 HydrophobicContact CE1-CG 4.26Å; F73-P131 HydrophobicContact CZ-CG 4.17Å; F73-L134 HydrophobicContact CE1-CD1 4.16Å; F73-L134 HydrophobicContact CZ-CD1 3.92Å |
| 74 | T | 89.4 | Confident | 90.7 | Very high | 48 Ų | 48 | 60.2 Ų | 60.2 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -51.9 | -45 | -179.7 | -54.2 | 0 | 0 | 0 | 0 | 113.2 | T71 L76 I77 Q78 | T71-T74 WeakPolarHBondContact CA-OG1 3.39Å; T71-T74 VanDerWaalsContact O-CB 3.24Å; T71-T74 WeakPolarHBondContact O-CB 3.44Å; T71-T74 PolarHBondContact O-N 2.88Å; T71-T74 PolarHBondContact O-OG1 3.49Å; T74-L76 VanDerWaalsContact C-N 3.3Å; T74-L76 PolarHBondContact O-N 2.85Å; T74-I77 PolarHBondContact O-N 2.88Å; T74-Q78 HydrophobicContact CG2-CG 4.29Å; T74-Q78 WeakPolarHBondContact O-CB 3.36Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 2.93Å |
| 75 | P | 87.7 | Confident | 90.6 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 58% | 0.584 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.2 | -39.3 | 177.5 | -23.1 | 35.1 | 0 | 0 | 0 | 112.7 | T72 F73 Q78 Y79 | T72-P75 WeakPolarHBondContact O-CD 3.35Å; F73-P75 VanDerWaalsContact C-CD 3.45Å; P75-Q78 PolarHBondContact O-N 2.74Å; P75-Y79 WeakPolarHBondContact O-CB 3.35Å; P75-Y79 PolarHBondContact O-N 3.25Å |
| 76 | L | 87.5 | Confident | 90.6 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.3 | -35.6 | 179.7 | -168.7 | 69.3 | 0 | 0 | 0 | 112 | F73 T74 Y79 G80 L85 C119 V122 L123 | F73-L76 HydrophobicContact CD1-CD2 4.48Å; F73-L76 WeakPolarHBondContact O-CB 3.42Å; F73-L76 PolarHBondContact O-N 2.93Å; T74-L76 VanDerWaalsContact C-N 3.3Å; T74-L76 PolarHBondContact O-N 2.85Å; L76-Y79 WeakPolarHBondContact O-CB 3.45Å; L76-Y79 PolarHBondContact O-N 3.32Å; L76-G80 PolarHBondContact O-N 2.95Å; L76-L85 HydrophobicContact CB-CD2 4.24Å; L76-L85 HydrophobicContact CD2-CD2 3.91Å; L76-L85 HydrophobicContact CG-CD2 3.72Å; L76-C119 HydrophobicContact CD2-CB 4.43Å; L76-V122 HydrophobicContact CD1-CB 4.19Å; L76-V122 HydrophobicContact CD1-CG1 3.85Å; L76-L123 HydrophobicContact CD1-CD2 4.34Å; L76-L123 HydrophobicContact CD1-CG 4.27Å; L76-L123 HydrophobicContact CD2-CD1 4.15Å; L76-L123 HydrophobicContact CD2-CD2 4.01Å; L76-L123 HydrophobicContact CD2-CG 4.02Å |
| 77 | I | 88.3 | Confident | 90.6 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 23% | 0.226 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 173.3 | -65.7 | 168.3 | 0 | 0 | 0 | 110.3 | M43 F73 T74 Y79 G80 L85 K86 L89 | M43-I77 HydrophobicContact CE-CD1 3.3Å; F73-I77 HydrophobicContact CB-CD1 4.33Å; F73-I77 WeakPolarHBondContact O-CG1 3.24Å; F73-I77 PolarHBondContact O-N 3.47Å; T74-I77 PolarHBondContact O-N 2.88Å; I77-Y79 VanDerWaalsContact C-N 3.33Å; I77-G80 PolarHBondContact O-N 2.9Å; I77-L85 HydrophobicContact CG1-CD2 3.99Å; I77-L85 HydrophobicContact CG1-CG 4.21Å; I77-K86 HydrophobicContact CG2-CB 4.46Å; I77-L89 HydrophobicContact CD1-CD1 3.86Å; I77-L89 HydrophobicContact CG1-CD1 4.04Å |
| 78 | Q | 85.9 | Confident | 90.6 | Very high | 154 Ų | 154 | 55.5 Ų | 55.5 | 72% | 0.72 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.2 | -32.9 | 177.1 | -72.5 | 177.8 | -8.5 | 0 | 0 | 112.5 | T74 P75 G80 | T74-Q78 HydrophobicContact CG2-CG 4.29Å; T74-Q78 WeakPolarHBondContact O-CB 3.36Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 2.93Å; P75-Q78 PolarHBondContact O-N 2.74Å; Q78-G80 PolarHBondContact O-N 2.88Å |
| 79 | Y | 87.3 | Confident | 90.8 | Very high | 130 Ų | 130 | 49.8 Ų | 49.8 | 51% | 0.51 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.5 | -31.7 | 172.3 | -173.2 | -86.8 | 0 | 0 | 0 | 111.9 | P75 L76 I77 C81 V122 | P75-Y79 WeakPolarHBondContact O-CB 3.35Å; P75-Y79 PolarHBondContact O-N 3.25Å; L76-Y79 WeakPolarHBondContact O-CB 3.45Å; L76-Y79 PolarHBondContact O-N 3.32Å; I77-Y79 VanDerWaalsContact C-N 3.33Å; Y79-C81 HydrophobicContact CD1-CB 4.03Å; Y79-C81 HydrophobicContact CE1-CB 4.4Å; Y79-V122 HydrophobicContact CD1-CB 4.47Å; Y79-V122 HydrophobicContact CD1-CG1 3.74Å; Y79-V122 HydrophobicContact CD1-CG2 3.99Å; Y79-V122 HydrophobicContact CD2-CG1 4.23Å; Y79-V122 HydrophobicContact CE1-CB 4.2Å; Y79-V122 HydrophobicContact CE1-CG1 3.67Å; Y79-V122 HydrophobicContact CE1-CG2 3.41Å; Y79-V122 VanDerWaalsContact CE1-CG2 3.41Å; Y79-V122 HydrophobicContact CE2-CG1 4.16Å; Y79-V122 HydrophobicContact CG-CG1 4.03Å |
| 80 | G | 86.4 | Confident | 90.9 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 32.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L76 I77 Q78 S82 | L76-G80 PolarHBondContact O-N 2.95Å; I77-G80 PolarHBondContact O-N 2.9Å; Q78-G80 PolarHBondContact O-N 2.88Å; G80-S82 PolarHBondContact O-N 3.4Å |
| 81 | C | 88.9 | Confident | 91 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -59.7 | -31.2 | 178.4 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | Y79 K118 C119 V122 | Y79-C81 HydrophobicContact CD1-CB 4.03Å; Y79-C81 HydrophobicContact CE1-CB 4.4Å; C81-K118 WeakPolarHBondContact O-CB 3.13Å; C81-C119 HydrophobicContact CB-CB 3.94Å; C81-C119 WeakPolarHBondContact CB-SG 3.5Å; C81-C119 VanDerWaalsContact SG-CA 3.56Å; C81-C119 WeakPolarHBondContact SG-CB 3.34Å; C81-C119 CovalentContact SG-SG 2.04Å; C81-C119 PolarHBondContact SG-SG 2.98Å; C81-V122 HydrophobicContact CB-CG2 4.01Å |
| 82 | S | 90.4 | Very high | 91.1 | Very high | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | trans | -144.7 | 134.6 | 173.2 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | G80 Q84 L85 | G80-S82 PolarHBondContact O-N 3.4Å; S82-Q84 PolarHBondContact O-N 3.41Å; S82-Q84 PolarHBondContact OG-N 3.39Å; S82-L85 WeakPolarHBondContact O-CB 3.32Å; S82-L85 PolarHBondContact O-N 2.91Å | ||
| 83 | S | 89.3 | Confident | 91.3 | Very high | 92 Ų | 92 | 38.7 Ų | 38.7 | 64% | 0.643 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28.1 | 171.8 | 45.8 | 0 | 0 | 0 | 0 | 112.1 | D155 | S83-D155 PolarHBondContact OG-OD1 3.38Å; S83-D155 VanDerWaalsContact OG-OD1 3.05Å |
| 84 | Q | 90.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.2 | -179.7 | -65.3 | -176.6 | 76.9 | 0 | 0 | 114 | S82 K86 F87 F88 V115 P153 D155 | S82-Q84 PolarHBondContact O-N 3.41Å; S82-Q84 PolarHBondContact OG-N 3.39Å; Q84-K86 VanDerWaalsContact C-N 3.33Å; Q84-K86 PolarHBondContact O-N 3.48Å; Q84-F87 PolarHBondContact O-N 3.42Å; Q84-F88 WeakPolarHBondContact O-CB 3.35Å; Q84-F88 PolarHBondContact O-N 3.34Å; Q84-V115 HydrophobicContact CB-CG2 3.82Å; Q84-P153 VanDerWaalsContact CD-O 3.29Å; Q84-P153 VanDerWaalsContact CG-O 3.29Å; Q84-P153 WeakPolarHBondContact CG-O 3.16Å; Q84-P153 PolarHBondContact OE1-O 3.41Å; Q84-D155 WeakPolarHBondContact CG-OD1 3.3Å; Q84-D155 PolarHBondContact NE2-OD1 3.29Å; Q84-D155 PolarHBondContact NE2-OD2 2.93Å |
| 85 | L | 93.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | -174.5 | 175.3 | 62.7 | 0 | 0 | 0 | 112.3 | L76 I77 S82 F88 L89 V115 | L76-L85 HydrophobicContact CB-CD2 4.24Å; L76-L85 HydrophobicContact CD2-CD2 3.91Å; L76-L85 HydrophobicContact CG-CD2 3.72Å; I77-L85 HydrophobicContact CG1-CD2 3.99Å; I77-L85 HydrophobicContact CG1-CG 4.21Å; S82-L85 WeakPolarHBondContact O-CB 3.32Å; S82-L85 PolarHBondContact O-N 2.91Å; L85-F88 PolarHBondContact O-N 3.15Å; L85-L89 HydrophobicContact CD1-CD1 3.83Å; L85-L89 HydrophobicContact CD1-CG 3.99Å; L85-L89 HydrophobicContact CG-CD1 3.98Å; L85-L89 HydrophobicContact CG-CG 4.49Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 2.89Å; L85-V115 HydrophobicContact CB-CG1 4.15Å; L85-V115 HydrophobicContact CD1-CG1 3.5Å; L85-V115 HydrophobicContact CG-CG1 4.43Å |
| 86 | K | 93.1 | Very high | 92 | Very high | 85 Ų | 85 | 34.1 Ų | 34.1 | 37% | 0.37 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.5 | -48 | 179.3 | -177.8 | -176.8 | 175.6 | -172.7 | 0 | 111.4 | M43 I77 Q84 F88 L89 C90 | M43-K86 WeakPolarHBondContact O-CE 3.22Å; M43-K86 PolarHBondContact O-NZ 3.49Å; I77-K86 HydrophobicContact CG2-CB 4.46Å; Q84-K86 VanDerWaalsContact C-N 3.33Å; Q84-K86 PolarHBondContact O-N 3.48Å; K86-F88 VanDerWaalsContact C-N 3.34Å; K86-F88 PolarHBondContact O-N 2.71Å; K86-L89 PolarHBondContact O-N 2.92Å; K86-C90 WeakPolarHBondContact O-CB 3.45Å; K86-C90 PolarHBondContact O-N 2.98Å; K86-C90 VanDerWaalsContact O-N 3.11Å; K86-C90 PolarHBondContact O-SG 3.18Å; K86-C90 VanDerWaalsContact O-SG 3.35Å |
| 87 | F | 94.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 10% | 0.101 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 178.4 | -176.9 | -98.2 | 0 | 0 | 0 | 111.1 | L47 Y49 Q84 C90 S91 M111 M150 G152 | L47-F87 HydrophobicContact CB-CD2 4.02Å; L47-F87 HydrophobicContact CB-CE2 4.18Å; L47-F87 HydrophobicContact CD1-CD2 4.45Å; L47-F87 HydrophobicContact CD2-CD2 4.21Å; L47-F87 HydrophobicContact CG-CD2 4.46Å; L47-F87 WeakPolarHBondContact O-CE2 3.34Å; Y49-F87 HydrophobicContact CE1-CE2 4.24Å; Q84-F87 PolarHBondContact O-N 3.42Å; F87-C90 PolarHBondContact O-N 2.88Å; F87-S91 WeakPolarHBondContact O-CB 3.3Å; F87-S91 PolarHBondContact O-N 2.83Å; F87-S91 PolarHBondContact O-OG 3.23Å; F87-M111 HydrophobicContact CD1-CE 3.32Å; F87-M111 HydrophobicContact CD1-SD 3.71Å; F87-M111 HydrophobicContact CE1-CE 3.86Å; F87-M111 HydrophobicContact CE1-SD 3.81Å; F87-M111 HydrophobicContact CG-CE 4.35Å; F87-M150 HydrophobicContact CE1-CB 4.08Å; F87-M150 HydrophobicContact CZ-CB 4.13Å; F87-M150 HydrophobicContact CZ-CG 4.49Å; F87-M150 HydrophobicContact CZ-SD 3.87Å; F87-G152 VanDerWaalsContact CE1-CA 3.43Å |
| 88 | F | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -53.3 | 174.9 | 174.6 | -113.4 | 0 | 0 | 0 | 113 | Q84 L85 K86 C90 S91 V92 P107 M111 C112 V115 W130 L134 F139 | Q84-F88 WeakPolarHBondContact O-CB 3.35Å; Q84-F88 PolarHBondContact O-N 3.34Å; L85-F88 PolarHBondContact O-N 3.15Å; K86-F88 VanDerWaalsContact C-N 3.34Å; K86-F88 PolarHBondContact O-N 2.71Å; F88-C90 VanDerWaalsContact C-N 3.32Å; F88-C90 PolarHBondContact O-N 2.98Å; F88-S91 WeakPolarHBondContact CA-OG 3.03Å; F88-S91 PolarHBondContact O-N 3.07Å; F88-S91 PolarHBondContact O-OG 2.95Å; F88-V92 HydrophobicContact CD2-CG2 4.37Å; F88-V92 HydrophobicContact CE2-CG2 3.96Å; F88-V92 HydrophobicContact CZ-CG2 4.22Å; F88-V92 WeakPolarHBondContact O-CG2 3.37Å; F88-V92 PolarHBondContact O-N 2.84Å; F88-P107 HydrophobicContact CD2-CB 3.89Å; F88-P107 HydrophobicContact CD2-CG 3.84Å; F88-P107 HydrophobicContact CE2-CB 4.18Å; F88-P107 HydrophobicContact CE2-CG 3.73Å; F88-M111 HydrophobicContact CB-CE 3.33Å; F88-M111 HydrophobicContact CD2-CE 3.96Å; F88-M111 HydrophobicContact CG-CE 4.14Å; F88-M111 VanDerWaalsContact N-CE 3.27Å; F88-C112 HydrophobicContact CD2-CB 4.38Å; F88-C112 HydrophobicContact CE2-CB 3.61Å; F88-C112 HydrophobicContact CZ-CB 4.07Å; F88-C112 VanDerWaalsContact CZ-SG 3.6Å; F88-V115 HydrophobicContact CB-CG2 3.99Å; F88-V115 HydrophobicContact CD1-CB 4.37Å; F88-V115 HydrophobicContact CD1-CG1 3.95Å; F88-V115 HydrophobicContact CG-CB 4.46Å; F88-V115 HydrophobicContact CG-CG1 4.42Å; F88-V115 HydrophobicContact CG-CG2 4.33Å; F88-W130 HydrophobicContact CE1-CH2 4.25Å; F88-W130 AromaticContact CE1-CZ2 3.88Å; F88-W130 HydrophobicContact CE1-CZ2 3.88Å; F88-W130 HydrophobicContact CZ-CZ2 4.3Å; F88-L134 HydrophobicContact CE1-CB 4.35Å; F88-L134 HydrophobicContact CE1-CD1 4.25Å; F88-L134 HydrophobicContact CE1-CD2 4.12Å; F88-L134 HydrophobicContact CE1-CG 4.48Å; F88-L134 HydrophobicContact CZ-CB 4.32Å; F88-L134 HydrophobicContact CZ-CD2 4.25Å; F88-F139 HydrophobicContact CE2-CD2 4.4Å; F88-F139 AromaticContact CE2-CE2 3.86Å; F88-F139 HydrophobicContact CE2-CE2 3.86Å; F88-F139 HydrophobicContact CE2-CZ 4.39Å; F88-F139 AromaticContact CZ-CE2 3.96Å; F88-F139 HydrophobicContact CZ-CE2 3.96Å; F88-F139 HydrophobicContact CZ-CZ 4.48Å |
| 89 | L | 95.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -45.3 | -179.5 | -68.7 | 170.4 | 0 | 0 | 0 | 111 | L70 F73 I77 L85 K86 S91 V92 Y93 L134 | L70-L89 HydrophobicContact CD2-CB 3.67Å; F73-L89 HydrophobicContact CB-CD1 3.55Å; F73-L89 HydrophobicContact CD1-CD1 4.34Å; F73-L89 HydrophobicContact CD1-CD2 4.31Å; F73-L89 HydrophobicContact CD2-CD1 4.27Å; F73-L89 HydrophobicContact CD2-CD2 4.05Å; F73-L89 HydrophobicContact CE1-CD2 4.43Å; F73-L89 HydrophobicContact CE2-CD2 4.18Å; F73-L89 HydrophobicContact CG-CD1 3.82Å; F73-L89 HydrophobicContact CG-CD2 4.11Å; F73-L89 HydrophobicContact CZ-CD2 4.37Å; I77-L89 HydrophobicContact CD1-CD1 3.86Å; I77-L89 HydrophobicContact CG1-CD1 4.04Å; L85-L89 HydrophobicContact CD1-CD1 3.83Å; L85-L89 HydrophobicContact CD1-CG 3.99Å; L85-L89 HydrophobicContact CG-CD1 3.98Å; L85-L89 HydrophobicContact CG-CG 4.49Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 2.89Å; K86-L89 PolarHBondContact O-N 2.92Å; L89-S91 PolarHBondContact O-N 3.39Å; L89-V92 PolarHBondContact O-N 3.34Å; L89-V92 VanDerWaalsContact O-N 3.15Å; L89-Y93 HydrophobicContact CD2-CE2 4.38Å; L89-Y93 VanDerWaalsContact O-CD2 3.3Å; L89-Y93 WeakPolarHBondContact O-CD2 3.31Å; L89-Y93 PolarHBondContact O-N 2.91Å; L89-L134 HydrophobicContact CD2-CD1 3.86Å; L89-L134 HydrophobicContact CD2-CD2 4.42Å |
| 90 | C | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 177.4 | -67.9 | 0 | 0 | 0 | 0 | 113 | C44 L47 Y49 K86 F87 F88 V92 Y93 V94 | C44-C90 WeakPolarHBondContact CA-SG 3.22Å; C44-C90 HydrophobicContact CB-CB 3.68Å; C44-C90 WeakPolarHBondContact CB-SG 3.32Å; C44-C90 WeakPolarHBondContact SG-CB 3.35Å; C44-C90 CovalentContact SG-SG 2.04Å; C44-C90 PolarHBondContact SG-SG 2.9Å; L47-C90 HydrophobicContact CD1-CB 3.19Å; L47-C90 VanDerWaalsContact CD1-SG 3.58Å; Y49-C90 PolarHBondContact OH-O 2.91Å; K86-C90 WeakPolarHBondContact O-CB 3.45Å; K86-C90 PolarHBondContact O-N 2.98Å; K86-C90 VanDerWaalsContact O-N 3.11Å; K86-C90 PolarHBondContact O-SG 3.18Å; K86-C90 VanDerWaalsContact O-SG 3.35Å; F87-C90 PolarHBondContact O-N 2.88Å; F88-C90 VanDerWaalsContact C-N 3.32Å; F88-C90 PolarHBondContact O-N 2.98Å; C90-V92 PolarHBondContact O-N 3.49Å; C90-Y93 PolarHBondContact O-N 2.77Å; C90-V94 HydrophobicContact CB-CG2 4.13Å; C90-V94 CarbonylContact O-C 3.46Å; C90-V94 WeakPolarHBondContact O-CA 3.32Å; C90-V94 WeakPolarHBondContact O-CG2 3.49Å; C90-V94 PolarHBondContact O-N 3.37Å; C90-V94 VanDerWaalsContact O-O 3.04Å |
| 91 | S | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -19.7 | 176.1 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | F87 F88 L89 P95 P107 M150 | F87-S91 WeakPolarHBondContact O-CB 3.3Å; F87-S91 PolarHBondContact O-N 2.83Å; F87-S91 PolarHBondContact O-OG 3.23Å; F88-S91 WeakPolarHBondContact CA-OG 3.03Å; F88-S91 PolarHBondContact O-N 3.07Å; F88-S91 PolarHBondContact O-OG 2.95Å; L89-S91 PolarHBondContact O-N 3.39Å; S91-P95 WeakPolarHBondContact O-CA 3.25Å; S91-P95 WeakPolarHBondContact O-CB 3.44Å; S91-P107 VanDerWaalsContact OG-CB 3.32Å; S91-P107 WeakPolarHBondContact OG-CB 3.29Å; S91-P107 WeakPolarHBondContact OG-CD 3.37Å; S91-P107 WeakPolarHBondContact OG-CG 3.31Å; S91-M150 VanDerWaalsContact CB-CE 3.5Å |
| 92 | V | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -91.7 | -45.9 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | L57 V58 F88 L89 C90 P107 L134 F139 | L57-V92 HydrophobicContact CB-CG1 4.42Å; L57-V92 PolarHBondContact N-O 3.28Å; V58-V92 HydrophobicContact CG2-CG1 3.47Å; V58-V92 VanDerWaalsContact CG2-CG1 3.47Å; F88-V92 HydrophobicContact CD2-CG2 4.37Å; F88-V92 HydrophobicContact CE2-CG2 3.96Å; F88-V92 HydrophobicContact CZ-CG2 4.22Å; F88-V92 WeakPolarHBondContact O-CG2 3.37Å; F88-V92 PolarHBondContact O-N 2.84Å; L89-V92 PolarHBondContact O-N 3.34Å; L89-V92 VanDerWaalsContact O-N 3.15Å; C90-V92 PolarHBondContact O-N 3.49Å; V92-P107 HydrophobicContact CG2-CG 3.65Å; V92-L134 HydrophobicContact CB-CD2 4.36Å; V92-L134 HydrophobicContact CG1-CD2 3.93Å; V92-L134 HydrophobicContact CG2-CD2 4.31Å; V92-F139 HydrophobicContact CG1-CZ 4.43Å; V92-F139 HydrophobicContact CG2-CE1 4Å; V92-F139 HydrophobicContact CG2-CE2 4.47Å; V92-F139 HydrophobicContact CG2-CZ 3.65Å |
| 93 | Y | 95.4 | Very high | 90.2 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -87 | -25.3 | -173.2 | -78.3 | -79.4 | 0 | 0 | 0 | 114.2 | N56 V58 A66 Q69 L70 F73 L89 C90 L134 | N56-Y93 WeakPolarHBondContact CB-O 3.32Å; N56-Y93 PolarHBondContact ND2-O 3.35Å; V58-Y93 HydrophobicContact CB-CD1 4.47Å; V58-Y93 HydrophobicContact CB-CE1 4.13Å; V58-Y93 HydrophobicContact CG1-CE1 4.11Å; V58-Y93 HydrophobicContact CG2-CD1 4.12Å; V58-Y93 HydrophobicContact CG2-CE1 3.84Å; A66-Y93 HydrophobicContact CB-CD1 4.34Å; Q69-Y93 HydrophobicContact CB-CE1 3.87Å; Q69-Y93 VanDerWaalsContact OE1-CE1 3.27Å; L70-Y93 HydrophobicContact CD1-CG 4.34Å; L70-Y93 HydrophobicContact CD2-CD2 3.46Å; L70-Y93 VanDerWaalsContact CD2-CD2 3.46Å; L70-Y93 HydrophobicContact CD2-CE2 4.19Å; L70-Y93 HydrophobicContact CD2-CG 3.82Å; L70-Y93 HydrophobicContact CG-CD1 4.46Å; L70-Y93 HydrophobicContact CG-CD2 3.98Å; L70-Y93 HydrophobicContact CG-CG 3.83Å; F73-Y93 HydrophobicContact CE2-CE2 4.12Å; L89-Y93 HydrophobicContact CD2-CE2 4.38Å; L89-Y93 VanDerWaalsContact O-CD2 3.3Å; L89-Y93 WeakPolarHBondContact O-CD2 3.31Å; L89-Y93 PolarHBondContact O-N 2.91Å; C90-Y93 PolarHBondContact O-N 2.77Å; Y93-L134 HydrophobicContact CE2-CD2 4.28Å |
| 94 | V | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -138.9 | 69.4 | 172.9 | -75.8 | 0 | 0 | 0 | 0 | 109 | I39 I41 C44 Y49 T52 C90 | I39-V94 HydrophobicContact CG2-CG2 4.41Å; I41-V94 HydrophobicContact CD1-CG1 3.48Å; I41-V94 VanDerWaalsContact CD1-CG1 3.48Å; I41-V94 HydrophobicContact CG1-CG1 4.26Å; C44-V94 HydrophobicContact CB-CG2 3.54Å; Y49-V94 WeakPolarHBondContact CE2-O 3.28Å; Y49-V94 PolarHBondContact OH-O 2.88Å; T52-V94 HydrophobicContact CG2-CB 4.42Å; T52-V94 HydrophobicContact CG2-CG1 4.4Å; T52-V94 WeakPolarHBondContact OG1-CA 3.49Å; C90-V94 HydrophobicContact CB-CG2 4.13Å; C90-V94 CarbonylContact O-C 3.46Å; C90-V94 WeakPolarHBondContact O-CA 3.32Å; C90-V94 WeakPolarHBondContact O-CG2 3.49Å; C90-V94 PolarHBondContact O-N 3.37Å; C90-V94 VanDerWaalsContact O-O 3.04Å |
| 95 | P | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -64 | 157.9 | -175.3 | 29.3 | -37.6 | 0 | 0 | 0 | 112.3 | T52 N56 L57 S91 P104 I105 | T52-P95 VanDerWaalsContact CA-O 3.27Å; T52-P95 WeakPolarHBondContact CA-O 3.05Å; T52-P95 VanDerWaalsContact CB-O 3.31Å; T52-P95 WeakPolarHBondContact CB-O 3.49Å; T52-P95 PolarHBondContact OG1-O 2.9Å; N56-P95 HydrophobicContact CB-CG 4.45Å; L57-P95 HydrophobicContact CD1-CB 4.42Å; L57-P95 HydrophobicContact CG-CB 4.31Å; L57-P95 HydrophobicContact CG-CG 4.23Å; S91-P95 WeakPolarHBondContact O-CA 3.25Å; S91-P95 WeakPolarHBondContact O-CB 3.44Å; P95-P104 HydrophobicContact CB-CB 3.79Å; P95-P104 HydrophobicContact CG-CB 3.44Å; P95-P104 VanDerWaalsContact CG-CB 3.44Å; P95-P104 HydrophobicContact CG-CG 4.23Å; P95-I105 VanDerWaalsContact CB-O 3.26Å; P95-I105 WeakPolarHBondContact CB-O 3.18Å | ||
| 96 | M | 92.7 | Very high | 90.2 | Very high | 65 Ų | 65 | 40.7 Ų | 40.7 | 32% | 0.32 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 137.8 | -179.8 | 179.3 | -179.3 | 178.9 | 0 | 0 | 111.1 | Y49 I105 M150 | Y49-M96 HydrophobicContact CD1-CB 4.32Å; Y49-M96 HydrophobicContact CD2-CB 3.75Å; Y49-M96 HydrophobicContact CD2-CG 4.06Å; Y49-M96 HydrophobicContact CE2-CB 4Å; Y49-M96 HydrophobicContact CG-CB 3.92Å; Y49-M96 HydrophobicContact CG-CG 4Å; Y49-M96 HydrophobicContact CG-SD 4.45Å; M96-I105 HydrophobicContact CB-CB 4.33Å; M96-I105 PolarHBondContact N-O 3.44Å; M96-I105 PolarHBondContact O-N 3.32Å; M96-M150 HydrophobicContact CB-CE 4.26Å; M96-M150 HydrophobicContact CB-SD 4.17Å |
| 97 | C | 90.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.8 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | C36 V51 K53 | C36-C97 VanDerWaalsContact CA-SG 3.58Å; C36-C97 HydrophobicContact CB-CB 3.7Å; C36-C97 WeakPolarHBondContact CB-SG 3.45Å; C36-C97 WeakPolarHBondContact SG-CB 3.49Å; C36-C97 CovalentContact SG-SG 2.03Å; C36-C97 PolarHBondContact SG-SG 2.89Å; V51-C97 PolarHBondContact O-N 3.39Å; K53-C97 HydrophobicContact CB-CB 3.97Å |
| 98 | T | 86.6 | Confident | 90.2 | Very high | 44 Ų | 44 | 35.6 Ų | 35.6 | 27% | 0.27 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 143.3 | 172.7 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | K100 V101 I105 | T98-K100 HydrophobicContact CG2-CB 4.43Å; T98-K100 PolarHBondContact O-N 3.35Å; T98-V101 HydrophobicContact CG2-CB 3.78Å; T98-V101 HydrophobicContact CG2-CG2 3.59Å; T98-V101 PolarHBondContact O-N 2.9Å; T98-V101 VanDerWaalsContact O-N 3.12Å; T98-I105 HydrophobicContact CG2-CD1 4.12Å |
| 99 | D | 82.2 | Confident | 90.1 | Very high | 142 Ų | 142 | 39 Ų | 39 | 76% | 0.759 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.7 | -178.5 | -49.9 | -38.1 | 0 | 0 | 0 | 113 | ||
| 100 | K | 79.4 | Confident | 89.7 | Confident | 192 Ų | 192 | 42 Ų | 42 | 84% | 0.835 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -13.2 | 178.2 | -61.2 | -174.5 | -179 | -179.7 | 0 | 113.4 | T98 | T98-K100 HydrophobicContact CG2-CB 4.43Å; T98-K100 PolarHBondContact O-N 3.35Å |
| 101 | V | 80.1 | Confident | 89.5 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 124 | -171 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | T98 I103 I105 M148 | T98-V101 HydrophobicContact CG2-CB 3.78Å; T98-V101 HydrophobicContact CG2-CG2 3.59Å; T98-V101 PolarHBondContact O-N 2.9Å; T98-V101 VanDerWaalsContact O-N 3.12Å; V101-I103 PolarHBondContact O-N 3.4Å; V101-I105 HydrophobicContact CG2-CD1 4.49Å; V101-M148 HydrophobicContact CB-CE 4.07Å; V101-M148 HydrophobicContact CG1-CE 3.58Å; V101-M148 HydrophobicContact CG2-CE 3.24Å; V101-M148 HydrophobicContact CG2-SD 3.81Å |
| 102 | P | 76.5 | Confident | 89.5 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | -18.2 | -173.1 | 26.6 | -33.3 | 0 | 0 | 0 | 114 | M34 K53 | M34-P102 HydrophobicContact CE-CB 3.72Å; M34-P102 HydrophobicContact SD-CB 3.88Å; K53-P102 PolarHBondContact NZ-O 3.3Å |
| 103 | I | 81.3 | Confident | 89.2 | Confident | 120 Ų | 120 | 45.8 Ų | 45.8 | 62% | 0.615 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.1 | -173.1 | -56.4 | 168.9 | 0 | 0 | 0 | 109.6 | V101 | V101-I103 PolarHBondContact O-N 3.4Å |
| 104 | P | 88.4 | Confident | 88.9 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 17% | 0.169 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 136.6 | 173 | 22.7 | -32.5 | 0 | 0 | 0 | 112.4 | L57 P95 | L57-P104 HydrophobicContact CD2-CG 4.1Å; P95-P104 HydrophobicContact CB-CB 3.79Å; P95-P104 HydrophobicContact CG-CB 3.44Å; P95-P104 VanDerWaalsContact CG-CB 3.44Å; P95-P104 HydrophobicContact CG-CG 4.23Å |
| 105 | I | 91.9 | Very high | 88.8 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.7 | -178.2 | -57.9 | 172.4 | 0 | 0 | 0 | 108.6 | P95 M96 T98 V101 M148 M150 | P95-I105 VanDerWaalsContact CB-O 3.26Å; P95-I105 WeakPolarHBondContact CB-O 3.18Å; M96-I105 HydrophobicContact CB-CB 4.33Å; M96-I105 PolarHBondContact N-O 3.44Å; M96-I105 PolarHBondContact O-N 3.32Å; T98-I105 HydrophobicContact CG2-CD1 4.12Å; V101-I105 HydrophobicContact CG2-CD1 4.49Å; I105-M148 HydrophobicContact CD1-CB 4.11Å; I105-M148 HydrophobicContact CD1-SD 4.26Å; I105-M148 HydrophobicContact CG1-CB 4.23Å; I105-M148 HydrophobicContact CG2-CB 4.2Å; I105-M150 HydrophobicContact CG2-CG 4.34Å; I105-M150 WeakPolarHBondContact O-CE 3.4Å |
| 106 | G | 93.4 | Very high | 88.7 | Confident | 8 Ų | 8 | 49 Ų | 49 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | trans | -104.2 | -168.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | C149 M150 | G106-C149 CarbonylContact O-C 3.56Å; G106-C149 WeakPolarHBondContact O-CA 3.38Å; G106-M150 PolarHBondContact O-N 2.96Å | ||
| 107 | P | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 155.4 | 176 | 29.4 | -32.6 | 0 | 0 | 0 | 112.1 | F88 S91 V92 M111 F139 | F88-P107 HydrophobicContact CD2-CB 3.89Å; F88-P107 HydrophobicContact CD2-CG 3.84Å; F88-P107 HydrophobicContact CE2-CB 4.18Å; F88-P107 HydrophobicContact CE2-CG 3.73Å; S91-P107 VanDerWaalsContact OG-CB 3.32Å; S91-P107 WeakPolarHBondContact OG-CB 3.29Å; S91-P107 WeakPolarHBondContact OG-CD 3.37Å; S91-P107 WeakPolarHBondContact OG-CG 3.31Å; V92-P107 HydrophobicContact CG2-CG 3.65Å; P107-M111 HydrophobicContact CB-CE 4.15Å; P107-M111 HydrophobicContact CB-SD 4.29Å; P107-F139 HydrophobicContact CG-CD1 3.97Å; P107-F139 HydrophobicContact CG-CD2 4.28Å; P107-F139 HydrophobicContact CG-CE1 4.02Å; P107-F139 HydrophobicContact CG-CE2 4.34Å; P107-F139 HydrophobicContact CG-CG 4.12Å; P107-F139 HydrophobicContact CG-CZ 4.22Å; P107-F139 WeakPolarHBondContact O-CB 3.47Å |
| 108 | C | 93.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | trans | -75.6 | 153.9 | 166.7 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | S110 M111 C112 C149 M150 | C108-S110 VanDerWaalsContact C-N 3.26Å; C108-S110 PolarHBondContact O-N 3.3Å; C108-M111 PolarHBondContact O-N 3.4Å; C108-C112 PolarHBondContact O-N 2.88Å; C108-C112 VanDerWaalsContact O-N 3.13Å; C108-C149 WeakPolarHBondContact CA-SG 3.34Å; C108-C149 HydrophobicContact CB-CB 3.94Å; C108-C149 WeakPolarHBondContact CB-SG 3.43Å; C108-C149 WeakPolarHBondContact SG-CB 3.35Å; C108-C149 PolarHBondContact SG-O 3.36Å; C108-C149 CovalentContact SG-SG 2.03Å; C108-C149 PolarHBondContact SG-SG 3.46Å; C108-M150 PolarHBondContact N-O 2.78Å; C108-M150 VanDerWaalsContact SG-C 3.51Å | ||
| 109 | K | 92.4 | Very high | 88.6 | Confident | 72 Ų | 72 | 54.8 Ų | 54.8 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 176.1 | -175.6 | 167.7 | -175 | 177.3 | 0 | 112.7 | M111 C112 L113 C136 P140 | K109-M111 PolarHBondContact O-N 2.96Å; K109-C112 PolarHBondContact O-N 3.37Å; K109-L113 HydrophobicContact CG-CD1 3.92Å; K109-L113 HydrophobicContact CG-CG 4.22Å; K109-L113 WeakPolarHBondContact O-CB 3.23Å; K109-L113 VanDerWaalsContact O-CG 3.25Å; K109-L113 WeakPolarHBondContact O-CG 3.4Å; K109-L113 PolarHBondContact O-N 3.48Å; K109-C136 HydrophobicContact CG-CB 4.41Å; K109-C136 WeakPolarHBondContact CG-O 3.3Å; K109-P140 WeakPolarHBondContact CB-O 3.32Å; K109-P140 PolarHBondContact N-O 2.94Å |
| 110 | S | 88.7 | Confident | 88.9 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 177.5 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | C108 L113 S114 | C108-S110 VanDerWaalsContact C-N 3.26Å; C108-S110 PolarHBondContact O-N 3.3Å; S110-L113 PolarHBondContact O-N 3.29Å; S110-S114 PolarHBondContact O-N 2.9Å |
| 111 | M | 91.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 177.1 | -171.1 | -176.7 | 131.2 | 0 | 0 | 111.4 | F87 F88 P107 C108 K109 L113 S114 V115 G152 | F87-M111 HydrophobicContact CD1-CE 3.32Å; F87-M111 HydrophobicContact CD1-SD 3.71Å; F87-M111 HydrophobicContact CE1-CE 3.86Å; F87-M111 HydrophobicContact CE1-SD 3.81Å; F87-M111 HydrophobicContact CG-CE 4.35Å; F88-M111 HydrophobicContact CB-CE 3.33Å; F88-M111 HydrophobicContact CD2-CE 3.96Å; F88-M111 HydrophobicContact CG-CE 4.14Å; F88-M111 VanDerWaalsContact N-CE 3.27Å; P107-M111 HydrophobicContact CB-CE 4.15Å; P107-M111 HydrophobicContact CB-SD 4.29Å; C108-M111 PolarHBondContact O-N 3.4Å; K109-M111 PolarHBondContact O-N 2.96Å; M111-L113 PolarHBondContact O-N 3.44Å; M111-S114 WeakPolarHBondContact O-CB 3.32Å; M111-S114 PolarHBondContact O-N 3.2Å; M111-V115 WeakPolarHBondContact O-CG2 3.37Å; M111-V115 PolarHBondContact O-N 3.44Å; M111-G152 VanDerWaalsContact SD-CA 3.59Å |
| 112 | C | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | F88 C108 K109 S114 V115 K116 L134 C136 F139 | F88-C112 HydrophobicContact CD2-CB 4.38Å; F88-C112 HydrophobicContact CE2-CB 3.61Å; F88-C112 HydrophobicContact CZ-CB 4.07Å; F88-C112 VanDerWaalsContact CZ-SG 3.6Å; C108-C112 PolarHBondContact O-N 2.88Å; C108-C112 VanDerWaalsContact O-N 3.13Å; K109-C112 PolarHBondContact O-N 3.37Å; C112-S114 VanDerWaalsContact C-N 3.3Å; C112-S114 PolarHBondContact O-N 3.28Å; C112-V115 PolarHBondContact O-N 3.12Å; C112-K116 WeakPolarHBondContact O-CB 3.27Å; C112-K116 PolarHBondContact O-N 2.86Å; C112-L134 PolarHBondContact SG-O 3.4Å; C112-C136 HydrophobicContact CB-CB 3.74Å; C112-C136 WeakPolarHBondContact CB-SG 3.38Å; C112-C136 PolarHBondContact O-SG 3.46Å; C112-C136 WeakPolarHBondContact SG-CA 3.15Å; C112-C136 WeakPolarHBondContact SG-CB 3.39Å; C112-C136 CovalentContact SG-SG 2.04Å; C112-C136 PolarHBondContact SG-SG 3.39Å; C112-F139 HydrophobicContact CB-CD2 3.78Å; C112-F139 HydrophobicContact CB-CE2 4.2Å |
| 113 | L | 90.1 | Very high | 89.7 | Confident | 75 Ų | 75 | 40.9 Ų | 40.9 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 178.7 | -72.2 | 172.8 | 0 | 0 | 0 | 111.6 | K109 S110 M111 R117 C136 | K109-L113 HydrophobicContact CG-CD1 3.92Å; K109-L113 HydrophobicContact CG-CG 4.22Å; K109-L113 WeakPolarHBondContact O-CB 3.23Å; K109-L113 VanDerWaalsContact O-CG 3.25Å; K109-L113 WeakPolarHBondContact O-CG 3.4Å; K109-L113 PolarHBondContact O-N 3.48Å; S110-L113 PolarHBondContact O-N 3.29Å; M111-L113 PolarHBondContact O-N 3.44Å; L113-R117 VanDerWaalsContact O-CB 3.28Å; L113-R117 WeakPolarHBondContact O-CB 3.12Å; L113-R117 PolarHBondContact O-N 2.97Å; L113-C136 HydrophobicContact CD2-CB 3.88Å; L113-C136 HydrophobicContact CG-CB 4.08Å |
| 114 | S | 89 | Confident | 89.9 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 12% | 0.119 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -52.2 | 175.2 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | S110 M111 C112 R117 K118 | S110-S114 PolarHBondContact O-N 2.9Å; M111-S114 WeakPolarHBondContact O-CB 3.32Å; M111-S114 PolarHBondContact O-N 3.2Å; C112-S114 VanDerWaalsContact C-N 3.3Å; C112-S114 PolarHBondContact O-N 3.28Å; S114-R117 PolarHBondContact O-N 3.12Å; S114-K118 PolarHBondContact O-N 3.2Å |
| 115 | V | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 178.4 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | Q84 L85 F88 M111 C112 R117 K118 C119 W130 | Q84-V115 HydrophobicContact CB-CG2 3.82Å; L85-V115 HydrophobicContact CB-CG1 4.15Å; L85-V115 HydrophobicContact CD1-CG1 3.5Å; L85-V115 HydrophobicContact CG-CG1 4.43Å; F88-V115 HydrophobicContact CB-CG2 3.99Å; F88-V115 HydrophobicContact CD1-CB 4.37Å; F88-V115 HydrophobicContact CD1-CG1 3.95Å; F88-V115 HydrophobicContact CG-CB 4.46Å; F88-V115 HydrophobicContact CG-CG1 4.42Å; F88-V115 HydrophobicContact CG-CG2 4.33Å; M111-V115 WeakPolarHBondContact O-CG2 3.37Å; M111-V115 PolarHBondContact O-N 3.44Å; C112-V115 PolarHBondContact O-N 3.12Å; V115-R117 VanDerWaalsContact C-N 3.35Å; V115-R117 PolarHBondContact O-N 3.44Å; V115-K118 PolarHBondContact O-N 3.38Å; V115-C119 VanDerWaalsContact O-CB 3.29Å; V115-C119 WeakPolarHBondContact O-CB 3.35Å; V115-C119 PolarHBondContact O-N 2.76Å; V115-W130 HydrophobicContact CG1-CH2 4.21Å |
| 116 | K | 92.6 | Very high | 88.7 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 176.9 | -176.5 | 173.9 | -178.4 | 178.5 | 0 | 111.2 | C112 K118 C119 L120 W130 | C112-K116 WeakPolarHBondContact O-CB 3.27Å; C112-K116 PolarHBondContact O-N 2.86Å; K116-K118 VanDerWaalsContact C-N 3.29Å; K116-K118 PolarHBondContact O-N 3.05Å; K116-C119 PolarHBondContact O-N 3.27Å; K116-L120 HydrophobicContact CG-CB 4.24Å; K116-L120 HydrophobicContact CG-CD2 4.22Å; K116-L120 WeakPolarHBondContact O-CA 3.5Å; K116-L120 WeakPolarHBondContact O-CB 3.03Å; K116-L120 PolarHBondContact O-N 2.88Å; K116-W130 HydrophobicContact CB-CD2 4.34Å; K116-W130 HydrophobicContact CB-CE3 4.43Å; K116-W130 HydrophobicContact CB-CH2 3.97Å; K116-W130 HydrophobicContact CB-CZ2 3.84Å; K116-W130 HydrophobicContact CB-CZ3 4.26Å; K116-W130 HydrophobicContact CD-CD2 4.03Å; K116-W130 HydrophobicContact CD-CG 4.05Å; K116-W130 HydrophobicContact CG-CD2 3.78Å; K116-W130 HydrophobicContact CG-CE3 3.99Å; K116-W130 HydrophobicContact CG-CG 4.26Å; K116-W130 HydrophobicContact CG-CH2 4.41Å; K116-W130 HydrophobicContact CG-CZ2 4.2Å; K116-W130 HydrophobicContact CG-CZ3 4.31Å |
| 117 | R | 90.3 | Very high | 88 | Confident | 166 Ų | 166 | 53 Ų | 53 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.5 | -40.5 | 179.7 | -169 | -171.2 | -54.4 | 108.1 | 0.6 | 112.5 | L113 S114 V115 P121 | L113-R117 VanDerWaalsContact O-CB 3.28Å; L113-R117 WeakPolarHBondContact O-CB 3.12Å; L113-R117 PolarHBondContact O-N 2.97Å; S114-R117 PolarHBondContact O-N 3.12Å; V115-R117 VanDerWaalsContact C-N 3.35Å; V115-R117 PolarHBondContact O-N 3.44Å; R117-P121 WeakPolarHBondContact O-CD 3.48Å |
| 118 | K | 87.8 | Confident | 87.4 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -82.6 | -35.4 | -177.4 | -67.4 | -179.3 | 173.2 | 174.7 | 0 | 113.3 | C81 S114 V115 K116 D155 | C81-K118 WeakPolarHBondContact O-CB 3.13Å; S114-K118 PolarHBondContact O-N 3.2Å; V115-K118 PolarHBondContact O-N 3.38Å; K116-K118 VanDerWaalsContact C-N 3.29Å; K116-K118 PolarHBondContact O-N 3.05Å; K118-D155 VanDerWaalsContact NZ-CG 3.31Å; K118-D155 IonicContact NZ-OD1 2.71Å; K118-D155 IonicContact NZ-OD2 2.68Å; K118-D155 PolarHBondContact NZ-OD2 3.17Å |
| 119 | C | 89.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -100.8 | -20.9 | -171.9 | -64 | 0 | 0 | 0 | 0 | 114.7 | L76 C81 V115 K116 V122 L123 W130 | L76-C119 HydrophobicContact CD2-CB 4.43Å; C81-C119 HydrophobicContact CB-CB 3.94Å; C81-C119 WeakPolarHBondContact CB-SG 3.5Å; C81-C119 VanDerWaalsContact SG-CA 3.56Å; C81-C119 WeakPolarHBondContact SG-CB 3.34Å; C81-C119 CovalentContact SG-SG 2.04Å; C81-C119 PolarHBondContact SG-SG 2.98Å; V115-C119 VanDerWaalsContact O-CB 3.29Å; V115-C119 WeakPolarHBondContact O-CB 3.35Å; V115-C119 PolarHBondContact O-N 2.76Å; K116-C119 PolarHBondContact O-N 3.27Å; C119-V122 PolarHBondContact O-N 3.4Å; C119-L123 PolarHBondContact O-N 3.31Å; C119-L123 VanDerWaalsContact O-N 3.09Å; C119-W130 HydrophobicContact CB-CZ3 4.39Å |
| 120 | L | 88.4 | Confident | 87.1 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 176.6 | -176.4 | 62 | 0 | 0 | 0 | 113.5 | K116 V122 L123 H124 W130 | K116-L120 HydrophobicContact CG-CB 4.24Å; K116-L120 HydrophobicContact CG-CD2 4.22Å; K116-L120 WeakPolarHBondContact O-CA 3.5Å; K116-L120 WeakPolarHBondContact O-CB 3.03Å; K116-L120 PolarHBondContact O-N 2.88Å; L120-V122 VanDerWaalsContact C-N 3.25Å; L120-V122 PolarHBondContact O-N 3.33Å; L120-L123 PolarHBondContact O-N 3.49Å; L120-H124 VanDerWaalsContact CD1-CD2 3.44Å; L120-H124 WeakPolarHBondContact CD1-CD2 3.3Å; L120-H124 WeakPolarHBondContact CD1-NE2 3.29Å; L120-H124 WeakPolarHBondContact O-CB 3.38Å; L120-H124 PolarHBondContact O-CD2 2.84Å; L120-H124 VanDerWaalsContact O-CD2 3.31Å; L120-H124 PolarHBondContact O-N 3.38Å; L120-W130 HydrophobicContact CB-CE3 4.39Å; L120-W130 HydrophobicContact CD1-CB 3.7Å; L120-W130 HydrophobicContact CD1-CE3 4.09Å; L120-W130 HydrophobicContact CD1-CG 4.45Å |
| 121 | P | 85.3 | Confident | 87.2 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.8 | -37.3 | 177.4 | -24.2 | 35.5 | 0 | 0 | 0 | 112.7 | R117 H124 E125 | R117-P121 WeakPolarHBondContact O-CD 3.48Å; P121-H124 PolarHBondContact O-N 3.09Å; P121-E125 PolarHBondContact O-N 3.43Å |
| 122 | V | 85.8 | Confident | 87.2 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.8 | -45.7 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | L76 Y79 C81 C119 L120 H124 E125 F126 | L76-V122 HydrophobicContact CD1-CB 4.19Å; L76-V122 HydrophobicContact CD1-CG1 3.85Å; Y79-V122 HydrophobicContact CD1-CB 4.47Å; Y79-V122 HydrophobicContact CD1-CG1 3.74Å; Y79-V122 HydrophobicContact CD1-CG2 3.99Å; Y79-V122 HydrophobicContact CD2-CG1 4.23Å; Y79-V122 HydrophobicContact CE1-CB 4.2Å; Y79-V122 HydrophobicContact CE1-CG1 3.67Å; Y79-V122 HydrophobicContact CE1-CG2 3.41Å; Y79-V122 VanDerWaalsContact CE1-CG2 3.41Å; Y79-V122 HydrophobicContact CE2-CG1 4.16Å; Y79-V122 HydrophobicContact CG-CG1 4.03Å; C81-V122 HydrophobicContact CB-CG2 4.01Å; C119-V122 PolarHBondContact O-N 3.4Å; L120-V122 VanDerWaalsContact C-N 3.25Å; L120-V122 PolarHBondContact O-N 3.33Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 2.96Å; V122-E125 WeakPolarHBondContact O-CB 3.41Å; V122-E125 PolarHBondContact O-N 2.95Å; V122-F126 HydrophobicContact CG1-CD2 4.29Å; V122-F126 HydrophobicContact CG1-CE2 4.09Å; V122-F126 VanDerWaalsContact O-CD2 3.23Å; V122-F126 WeakPolarHBondContact O-CD2 3.37Å; V122-F126 PolarHBondContact O-N 3.13Å |
| 123 | L | 83.3 | Confident | 87 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 174.6 | -77.1 | 170.2 | 0 | 0 | 0 | 111.7 | L76 C119 L120 E125 F126 G127 F128 W130 | L76-L123 HydrophobicContact CD1-CD2 4.34Å; L76-L123 HydrophobicContact CD1-CG 4.27Å; L76-L123 HydrophobicContact CD2-CD1 4.15Å; L76-L123 HydrophobicContact CD2-CD2 4.01Å; L76-L123 HydrophobicContact CD2-CG 4.02Å; C119-L123 PolarHBondContact O-N 3.31Å; C119-L123 VanDerWaalsContact O-N 3.09Å; L120-L123 PolarHBondContact O-N 3.49Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 3.2Å; L123-F126 CarbonylContact O-C 3.55Å; L123-F126 PolarHBondContact O-N 3.45Å; L123-G127 PolarHBondContact O-N 3.28Å; L123-F128 CarbonylContact C-O 3.15Å; L123-F128 HydrophobicContact CB-CB 4.23Å; L123-F128 HydrophobicContact CD2-CB 3.95Å; L123-F128 PolarHBondContact O-N 2.92Å; L123-W130 HydrophobicContact CD1-CE3 3.77Å; L123-W130 HydrophobicContact CD1-CZ3 3.99Å |
| 124 | H | 84.1 | Confident | 87.2 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 178.2 | -79.5 | -149.7 | 0 | 0 | 0 | 112.7 | L120 P121 V122 F126 G127 F128 | L120-H124 VanDerWaalsContact CD1-CD2 3.44Å; L120-H124 WeakPolarHBondContact CD1-CD2 3.3Å; L120-H124 WeakPolarHBondContact CD1-NE2 3.29Å; L120-H124 WeakPolarHBondContact O-CB 3.38Å; L120-H124 PolarHBondContact O-CD2 2.84Å; L120-H124 VanDerWaalsContact O-CD2 3.31Å; L120-H124 PolarHBondContact O-N 3.38Å; P121-H124 PolarHBondContact O-N 3.09Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 2.96Å; H124-F126 PolarHBondContact O-N 3.24Å; H124-G127 PolarHBondContact O-N 2.88Å; H124-F128 PolarHBondContact CD2-O 3.38Å; H124-F128 VanDerWaalsContact CD2-O 3.28Å; H124-F128 PolarHBondContact N-O 2.79Å |
| 125 | E | 76.1 | Confident | 87.3 | Confident | 142 Ų | 142 | 71.2 Ų | 71.2 | 66% | 0.664 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.1 | -34.2 | 175.3 | -173 | 174.4 | -179.9 | 0 | 0 | 112.1 | P121 V122 L123 | P121-E125 PolarHBondContact O-N 3.43Å; V122-E125 WeakPolarHBondContact O-CB 3.41Å; V122-E125 PolarHBondContact O-N 2.95Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 3.2Å |
| 126 | F | 78.9 | Confident | 87.3 | Confident | 128 Ų | 128 | 71.4 Ų | 71.4 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 10.2 | 177 | -64.9 | -73.5 | 0 | 0 | 0 | 113.9 | V122 L123 H124 F128 | V122-F126 HydrophobicContact CG1-CD2 4.29Å; V122-F126 HydrophobicContact CG1-CE2 4.09Å; V122-F126 VanDerWaalsContact O-CD2 3.23Å; V122-F126 WeakPolarHBondContact O-CD2 3.37Å; V122-F126 PolarHBondContact O-N 3.13Å; L123-F126 CarbonylContact O-C 3.55Å; L123-F126 PolarHBondContact O-N 3.45Å; H124-F126 PolarHBondContact O-N 3.24Å; F126-F128 HydrophobicContact CB-CD2 3.75Å; F126-F128 HydrophobicContact CB-CE2 3.95Å; F126-F128 VanDerWaalsContact O-CD2 3.3Å; F126-F128 WeakPolarHBondContact O-CD2 3.43Å; F126-F128 WeakPolarHBondContact O-CE2 3.28Å |
| 127 | G | 78.7 | Confident | 87.3 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 17.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L123 H124 | L123-G127 PolarHBondContact O-N 3.28Å; H124-G127 PolarHBondContact O-N 2.88Å |
| 128 | F | 83.6 | Confident | 87.2 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 58% | 0.575 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -103.6 | 140.1 | 177.4 | -62.4 | -78.4 | 0 | 0 | 0 | 111.4 | L123 H124 F126 | L123-F128 CarbonylContact C-O 3.15Å; L123-F128 HydrophobicContact CB-CB 4.23Å; L123-F128 HydrophobicContact CD2-CB 3.95Å; L123-F128 PolarHBondContact O-N 2.92Å; H124-F128 PolarHBondContact CD2-O 3.38Å; H124-F128 VanDerWaalsContact CD2-O 3.28Å; H124-F128 PolarHBondContact N-O 2.79Å; F126-F128 HydrophobicContact CB-CD2 3.75Å; F126-F128 HydrophobicContact CB-CE2 3.95Å; F126-F128 VanDerWaalsContact O-CD2 3.3Å; F126-F128 WeakPolarHBondContact O-CD2 3.43Å; F126-F128 WeakPolarHBondContact O-CE2 3.28Å |
| 129 | I | 87.5 | Confident | 87.4 | Confident | 123 Ų | 123 | 67.7 Ų | 67.7 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -90.3 | 163.3 | 173 | 61 | 172 | 0 | 0 | 0 | 111 | P131 | I129-P131 WeakPolarHBondContact O-CD 3.47Š|
| 130 | W | 91.1 | Very high | 87.3 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -63 | 123.1 | 170.4 | -163.6 | -102.7 | 0 | 0 | 0 | 110.4 | F88 V115 K116 C119 L120 L123 L134 | F88-W130 HydrophobicContact CE1-CH2 4.25Å; F88-W130 AromaticContact CE1-CZ2 3.88Å; F88-W130 HydrophobicContact CE1-CZ2 3.88Å; F88-W130 HydrophobicContact CZ-CZ2 4.3Å; V115-W130 HydrophobicContact CG1-CH2 4.21Å; K116-W130 HydrophobicContact CB-CD2 4.34Å; K116-W130 HydrophobicContact CB-CE3 4.43Å; K116-W130 HydrophobicContact CB-CH2 3.97Å; K116-W130 HydrophobicContact CB-CZ2 3.84Å; K116-W130 HydrophobicContact CB-CZ3 4.26Å; K116-W130 HydrophobicContact CD-CD2 4.03Å; K116-W130 HydrophobicContact CD-CG 4.05Å; K116-W130 HydrophobicContact CG-CD2 3.78Å; K116-W130 HydrophobicContact CG-CE3 3.99Å; K116-W130 HydrophobicContact CG-CG 4.26Å; K116-W130 HydrophobicContact CG-CH2 4.41Å; K116-W130 HydrophobicContact CG-CZ2 4.2Å; K116-W130 HydrophobicContact CG-CZ3 4.31Å; C119-W130 HydrophobicContact CB-CZ3 4.39Å; L120-W130 HydrophobicContact CB-CE3 4.39Å; L120-W130 HydrophobicContact CD1-CB 3.7Å; L120-W130 HydrophobicContact CD1-CE3 4.09Å; L120-W130 HydrophobicContact CD1-CG 4.45Å; L123-W130 HydrophobicContact CD1-CE3 3.77Å; L123-W130 HydrophobicContact CD1-CZ3 3.99Å; W130-L134 HydrophobicContact CZ2-CB 4.03Å; W130-L134 HydrophobicContact CZ2-CD1 4.45Å; W130-L134 PolarHBondContact NE1-O 3.1Å |
| 131 | P | 91.4 | Very high | 86.9 | Confident | 34 Ų | 34 | 71.7 Ų | 71.7 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 138.1 | -178.7 | -24.5 | 34.3 | 0 | 0 | 0 | 112.6 | F73 I129 V133 L134 | F73-P131 HydrophobicContact CE1-CG 4.26Å; F73-P131 HydrophobicContact CZ-CG 4.17Å; I129-P131 WeakPolarHBondContact O-CD 3.47Å; P131-V133 VanDerWaalsContact C-N 3.25Å; P131-V133 HydrophobicContact CB-CG2 4.08Å; P131-V133 PolarHBondContact O-N 2.88Å; P131-L134 HydrophobicContact CB-CB 4.48Å; P131-L134 HydrophobicContact CB-CD1 4.32Å; P131-L134 HydrophobicContact CB-CG 4.23Å; P131-L134 HydrophobicContact CG-CD1 4.08Å; P131-L134 PolarHBondContact O-N 2.87Å |
| 132 | E | 91.3 | Very high | 86.5 | Confident | 169 Ų | 169 | 73.2 Ų | 73.2 | 79% | 0.79 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -60.4 | -35.6 | -179.5 | -66.4 | -171.1 | 164 | 0 | 0 | 112.5 | L134 N135 | E132-L134 PolarHBondContact O-N 3.13Å; E132-N135 WeakPolarHBondContact O-CB 3.25Å; E132-N135 PolarHBondContact O-N 2.83Å |
| 133 | V | 88.8 | Confident | 86.3 | Confident | 64 Ų | 64 | 76.2 Ų | 76.2 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -65.2 | -16.4 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | V58 P131 | V58-V133 HydrophobicContact CG1-CB 3.84Å; V58-V133 HydrophobicContact CG1-CG1 3.81Å; V58-V133 HydrophobicContact CG1-CG2 4.18Å; V58-V133 HydrophobicContact CG2-CB 4.41Å; P131-V133 VanDerWaalsContact C-N 3.25Å; P131-V133 HydrophobicContact CB-CG2 4.08Å; P131-V133 PolarHBondContact O-N 2.88Å |
| 134 | L | 94.1 | Very high | 86.1 | Confident | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.01 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -104 | 12.5 | 175.6 | -58.7 | -178.4 | 0 | 0 | 0 | 112.2 | F73 F88 L89 V92 Y93 C112 W130 P131 E132 C136 | F73-L134 HydrophobicContact CE1-CD1 4.16Å; F73-L134 HydrophobicContact CZ-CD1 3.92Å; F88-L134 HydrophobicContact CE1-CB 4.35Å; F88-L134 HydrophobicContact CE1-CD1 4.25Å; F88-L134 HydrophobicContact CE1-CD2 4.12Å; F88-L134 HydrophobicContact CE1-CG 4.48Å; F88-L134 HydrophobicContact CZ-CB 4.32Å; F88-L134 HydrophobicContact CZ-CD2 4.25Å; L89-L134 HydrophobicContact CD2-CD1 3.86Å; L89-L134 HydrophobicContact CD2-CD2 4.42Å; V92-L134 HydrophobicContact CB-CD2 4.36Å; V92-L134 HydrophobicContact CG1-CD2 3.93Å; V92-L134 HydrophobicContact CG2-CD2 4.31Å; Y93-L134 HydrophobicContact CE2-CD2 4.28Å; C112-L134 PolarHBondContact SG-O 3.4Å; W130-L134 HydrophobicContact CZ2-CB 4.03Å; W130-L134 HydrophobicContact CZ2-CD1 4.45Å; W130-L134 PolarHBondContact NE1-O 3.1Å; P131-L134 HydrophobicContact CB-CB 4.48Å; P131-L134 HydrophobicContact CB-CD1 4.32Å; P131-L134 HydrophobicContact CB-CG 4.23Å; P131-L134 HydrophobicContact CG-CD1 4.08Å; P131-L134 PolarHBondContact O-N 2.87Å; E132-L134 PolarHBondContact O-N 3.13Å; L134-C136 PolarHBondContact O-N 3.41Å |
| 135 | N | 92.6 | Very high | 85.6 | Confident | 66 Ų | 66 | 83.4 Ų | 83.4 | 35% | 0.353 | 45% | 0.446 | S | S | . | . | trans | -61.5 | 120.1 | -177.8 | -175.1 | -12.3 | 0 | 0 | 0 | 111.3 | E132 S137 L138 | E132-N135 WeakPolarHBondContact O-CB 3.25Å; E132-N135 PolarHBondContact O-N 2.83Å; N135-S137 PolarHBondContact O-N 3.11Å; N135-S137 PolarHBondContact OD1-N 3.4Å; N135-S137 VanDerWaalsContact OD1-N 3.15Å; N135-L138 HydrophobicContact CB-CD1 4.1Å; N135-L138 HydrophobicContact CB-CG 4.19Å; N135-L138 VanDerWaalsContact O-CB 3.27Å; N135-L138 WeakPolarHBondContact O-CB 3.45Å; N135-L138 WeakPolarHBondContact O-CG 3.22Å; N135-L138 PolarHBondContact O-N 3.15Å | ||
| 136 | C | 91.7 | Very high | 85.3 | Confident | 4 Ų | 4 | 83.3 Ų | 83.3 | 3% | 0.027 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -62.9 | -15 | -175.1 | -54.9 | 0 | 0 | 0 | 0 | 114.9 | K109 C112 L113 L134 L138 F139 | K109-C136 HydrophobicContact CG-CB 4.41Å; K109-C136 WeakPolarHBondContact CG-O 3.3Å; C112-C136 HydrophobicContact CB-CB 3.74Å; C112-C136 WeakPolarHBondContact CB-SG 3.38Å; C112-C136 PolarHBondContact O-SG 3.46Å; C112-C136 WeakPolarHBondContact SG-CA 3.15Å; C112-C136 WeakPolarHBondContact SG-CB 3.39Å; C112-C136 CovalentContact SG-SG 2.04Å; C112-C136 PolarHBondContact SG-SG 3.39Å; L113-C136 HydrophobicContact CD2-CB 3.88Å; L113-C136 HydrophobicContact CG-CB 4.08Å; L134-C136 PolarHBondContact O-N 3.41Å; C136-L138 PolarHBondContact O-N 2.79Å; C136-F139 PolarHBondContact O-N 3.38Å |
| 137 | S | 92.4 | Very high | 85.3 | Confident | 89 Ų | 89 | 81.8 Ų | 81.8 | 62% | 0.622 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -71.2 | -15.8 | 172.4 | -62.9 | 0 | 0 | 0 | 0 | 113.5 | N135 F139 | N135-S137 PolarHBondContact O-N 3.11Å; N135-S137 PolarHBondContact OD1-N 3.4Å; N135-S137 VanDerWaalsContact OD1-N 3.15Å; S137-F139 VanDerWaalsContact C-N 3.3Å |
| 138 | L | 89 | Confident | 85.7 | Confident | 116 Ų | 116 | 82.3 Ų | 82.3 | 61% | 0.607 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -78.1 | -14.4 | 176.9 | -59.4 | 173.9 | 0 | 0 | 0 | 112.9 | N135 C136 | N135-L138 HydrophobicContact CB-CD1 4.1Å; N135-L138 HydrophobicContact CB-CG 4.19Å; N135-L138 VanDerWaalsContact O-CB 3.27Å; N135-L138 WeakPolarHBondContact O-CB 3.45Å; N135-L138 WeakPolarHBondContact O-CG 3.22Å; N135-L138 PolarHBondContact O-N 3.15Å; C136-L138 PolarHBondContact O-N 2.79Å |
| 139 | F | 90.9 | Very high | 86 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 7% | 0.07 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -105.4 | 147.1 | -172.2 | -55.8 | -53.1 | 0 | 0 | 0 | 112.7 | L57 F88 V92 P107 C112 C136 S137 | L57-F139 HydrophobicContact CD1-CE1 4.32Å; F88-F139 HydrophobicContact CE2-CD2 4.4Å; F88-F139 AromaticContact CE2-CE2 3.86Å; F88-F139 HydrophobicContact CE2-CE2 3.86Å; F88-F139 HydrophobicContact CE2-CZ 4.39Å; F88-F139 AromaticContact CZ-CE2 3.96Å; F88-F139 HydrophobicContact CZ-CE2 3.96Å; F88-F139 HydrophobicContact CZ-CZ 4.48Å; V92-F139 HydrophobicContact CG1-CZ 4.43Å; V92-F139 HydrophobicContact CG2-CE1 4Å; V92-F139 HydrophobicContact CG2-CE2 4.47Å; V92-F139 HydrophobicContact CG2-CZ 3.65Å; P107-F139 HydrophobicContact CG-CD1 3.97Å; P107-F139 HydrophobicContact CG-CD2 4.28Å; P107-F139 HydrophobicContact CG-CE1 4.02Å; P107-F139 HydrophobicContact CG-CE2 4.34Å; P107-F139 HydrophobicContact CG-CG 4.12Å; P107-F139 HydrophobicContact CG-CZ 4.22Å; P107-F139 WeakPolarHBondContact O-CB 3.47Å; C112-F139 HydrophobicContact CB-CD2 3.78Å; C112-F139 HydrophobicContact CB-CE2 4.2Å; C136-F139 PolarHBondContact O-N 3.38Å; S137-F139 VanDerWaalsContact C-N 3.3Å |
| 140 | P | 88.4 | Confident | 86.2 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 23% | 0.234 | 38% | 0.38 | C | S | . | . | trans | -59.6 | 140.9 | 179.4 | -24.8 | 34.6 | 0 | 0 | 0 | 113.3 | K109 H147 C149 | K109-P140 WeakPolarHBondContact CB-O 3.32Å; K109-P140 PolarHBondContact N-O 2.94Å; P140-H147 HydrophobicContact CB-CB 4.04Å; P140-C149 HydrophobicContact CB-CB 4.17Å; P140-C149 HydrophobicContact CG-CB 4.22Å | ||
| 141 | P | 80.1 | Confident | 85.9 | Confident | 88 Ų | 88 | 76 Ų | 76 | 57% | 0.571 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -72.6 | -37 | -175.3 | 27.7 | -33.7 | 0 | 0 | 0 | 114.1 | ||
| 142 | I | 76.8 | Confident | 85.4 | Confident | 111 Ų | 111 | 75.7 Ų | 75.7 | 57% | 0.569 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -141.3 | 144.7 | -174.8 | -60.5 | 174.2 | 0 | 0 | 0 | 107.5 | D144 | I142-D144 PolarHBondContact O-N 3.42Š|
| 143 | N | 81.1 | Confident | 84.7 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | trans | -76.1 | 107 | 169.2 | -173 | 19.1 | 0 | 0 | 0 | 109.1 | H147 M148 C149 | N143-H147 WeakPolarHBondContact CA-O 3.21Å; N143-M148 WeakPolarHBondContact OD1-CA 3.28Å; N143-C149 PolarHBondContact OD1-N 2.96Å | ||
| 144 | D | 79.9 | Confident | 83.5 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | trans | -132 | 179.2 | -179.9 | 72 | 33.7 | 0 | 0 | 0 | 111.8 | I142 N146 H147 | I142-D144 PolarHBondContact O-N 3.42Å; D144-N146 PolarHBondContact O-N 3.08Å; D144-N146 VanDerWaalsContact OD1-CA 3.31Å; D144-N146 WeakPolarHBondContact OD1-CA 3.43Å; D144-N146 WeakPolarHBondContact OD1-CB 3.42Å; D144-N146 PolarHBondContact OD1-N 3.1Å; D144-H147 PolarHBondContact N-O 3.05Å; D144-H147 CarbonylContact O-C 3.56Å; D144-H147 PolarHBondContact O-N 2.88Å; D144-H147 IonicContact OD1-CG 2.81Å; D144-H147 PolarHBondContact OD1-N 3.31Å; D144-H147 IonicContact OD1-ND1 3.85Å; D144-H147 PolarHBondContact OD1-ND1 3.05Å; D144-H147 IonicContact OD2-ND1 2.71Å | ||
| 145 | H | 72.4 | Confident | 82 | Confident | 193 Ų | 193 | 73.3 Ų | 73.3 | 89% | 0.894 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -64.7 | -19.1 | -179.1 | -64.5 | -57.7 | 0 | 0 | 0 | 114.2 | ||
| 146 | N | 71.1 | Confident | 80.1 | Confident | 140 Ų | 140 | 79.3 Ų | 79.3 | 75% | 0.749 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -102.5 | -23.1 | -179.5 | -67.5 | -12.6 | 0 | 0 | 0 | 112.5 | D144 | D144-N146 PolarHBondContact O-N 3.08Å; D144-N146 VanDerWaalsContact OD1-CA 3.31Å; D144-N146 WeakPolarHBondContact OD1-CA 3.43Å; D144-N146 WeakPolarHBondContact OD1-CB 3.42Å; D144-N146 PolarHBondContact OD1-N 3.1Å |
| 147 | H | 78.1 | Confident | 77.9 | Confident | 97 Ų | 97 | 85.3 Ų | 85.3 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | trans | -137 | 101.2 | -177.1 | -52.8 | 93.7 | 0 | 0 | 0 | 110.1 | P140 N143 D144 | P140-H147 HydrophobicContact CB-CB 4.04Å; N143-H147 WeakPolarHBondContact CA-O 3.21Å; D144-H147 PolarHBondContact N-O 3.05Å; D144-H147 CarbonylContact O-C 3.56Å; D144-H147 PolarHBondContact O-N 2.88Å; D144-H147 IonicContact OD1-CG 2.81Å; D144-H147 PolarHBondContact OD1-N 3.31Å; D144-H147 IonicContact OD1-ND1 3.85Å; D144-H147 PolarHBondContact OD1-ND1 3.05Å; D144-H147 IonicContact OD2-ND1 2.71Å | ||
| 148 | M | 86.4 | Confident | 75.6 | Confident | 79 Ų | 79 | 86.1 Ų | 86.1 | 39% | 0.389 | 48% | 0.475 | S | S | . | . | trans | -85 | 132.9 | 174 | -75.5 | 167.3 | -74.7 | 0 | 0 | 110.8 | V101 I105 N143 | V101-M148 HydrophobicContact CB-CE 4.07Å; V101-M148 HydrophobicContact CG1-CE 3.58Å; V101-M148 HydrophobicContact CG2-CE 3.24Å; V101-M148 HydrophobicContact CG2-SD 3.81Å; I105-M148 HydrophobicContact CD1-CB 4.11Å; I105-M148 HydrophobicContact CD1-SD 4.26Å; I105-M148 HydrophobicContact CG1-CB 4.23Å; I105-M148 HydrophobicContact CG2-CB 4.2Å; N143-M148 WeakPolarHBondContact OD1-CA 3.28Å | ||
| 149 | C | 91.5 | Very high | 73.4 | Confident | 6 Ų | 6 | 86.6 Ų | 86.6 | 4% | 0.041 | 49% | 0.485 | C | S | . | . | trans | -149.4 | 159.2 | 173.4 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | G106 C108 P140 N143 | G106-C149 CarbonylContact O-C 3.56Å; G106-C149 WeakPolarHBondContact O-CA 3.38Å; C108-C149 WeakPolarHBondContact CA-SG 3.34Å; C108-C149 HydrophobicContact CB-CB 3.94Å; C108-C149 WeakPolarHBondContact CB-SG 3.43Å; C108-C149 WeakPolarHBondContact SG-CB 3.35Å; C108-C149 PolarHBondContact SG-O 3.36Å; C108-C149 CovalentContact SG-SG 2.03Å; C108-C149 PolarHBondContact SG-SG 3.46Å; P140-C149 HydrophobicContact CB-CB 4.17Å; P140-C149 HydrophobicContact CG-CB 4.22Å; N143-C149 PolarHBondContact OD1-N 2.96Å | ||
| 150 | M | 91.1 | Very high | 70.9 | Confident | 23 Ų | 23 | 94.2 Ų | 94.2 | 11% | 0.113 | 51% | 0.514 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 123.4 | 178.8 | -68.3 | 175.6 | -77.4 | 0 | 0 | 111.2 | Y49 F87 S91 M96 I105 G106 C108 | Y49-M150 HydrophobicContact CD1-SD 4.15Å; Y49-M150 HydrophobicContact CE1-CE 4.44Å; Y49-M150 HydrophobicContact CE1-SD 3.81Å; F87-M150 HydrophobicContact CE1-CB 4.08Å; F87-M150 HydrophobicContact CZ-CB 4.13Å; F87-M150 HydrophobicContact CZ-CG 4.49Å; F87-M150 HydrophobicContact CZ-SD 3.87Å; S91-M150 VanDerWaalsContact CB-CE 3.5Å; M96-M150 HydrophobicContact CB-CE 4.26Å; M96-M150 HydrophobicContact CB-SD 4.17Å; I105-M150 HydrophobicContact CG2-CG 4.34Å; I105-M150 WeakPolarHBondContact O-CE 3.4Å; G106-M150 PolarHBondContact O-N 2.96Å; C108-M150 PolarHBondContact N-O 2.78Å; C108-M150 VanDerWaalsContact SG-C 3.51Å |
| 151 | E | 84.4 | Confident | 68.6 | Low | 119 Ų | 119 | 100.7 Ų | 100.7 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | trans | -79.3 | -21.2 | 179.8 | -66.2 | -179.3 | 171.3 | 0 | 0 | 113.4 | ||||
| 152 | G | 81.6 | Confident | 66.8 | Low | 27 Ų | 27 | 100.9 Ų | 100.9 | 28% | 0.278 | 54% | 0.543 | S | S | . | . | trans | 86.5 | 165.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F87 M111 G154 | F87-G152 VanDerWaalsContact CE1-CA 3.43Å; M111-G152 VanDerWaalsContact SD-CA 3.59Å; G152-G154 PolarHBondContact O-N 3.43Å | ||
| 153 | P | 76.8 | Confident | 65.4 | Low | 76 Ų | 76 | 101 Ų | 101 | 49% | 0.494 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -66.6 | 118.1 | 170.1 | 27.8 | -30.3 | 0 | 0 | 0 | 107.9 | Q84 | Q84-P153 VanDerWaalsContact CD-O 3.29Å; Q84-P153 VanDerWaalsContact CG-O 3.29Å; Q84-P153 WeakPolarHBondContact CG-O 3.16Å; Q84-P153 PolarHBondContact OE1-O 3.41Å |
| 154 | G | 63.9 | Low | 63.3 | Low | 65 Ų | 65 | 108.7 Ų | 108.7 | 67% | 0.67 | 57% | 0.572 | S | S | * | * | trans | -51.8 | 150.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G152 E156 | G152-G154 PolarHBondContact O-N 3.43Å; G154-E156 PolarHBondContact O-N 2.85Å | ||
| 155 | D | 61.7 | Low | 61.5 | Low | 43 Ų | 43 | 110.9 Ų | 110.9 | 23% | 0.23 | 58% | 0.58 | C | S | . | * | trans | -71.5 | 115 | 176 | -74 | -26.7 | 0 | 0 | 0 | 109.5 | S83 Q84 K118 D157 | S83-D155 PolarHBondContact OG-OD1 3.38Å; S83-D155 VanDerWaalsContact OG-OD1 3.05Å; Q84-D155 WeakPolarHBondContact CG-OD1 3.3Å; Q84-D155 PolarHBondContact NE2-OD1 3.29Å; Q84-D155 PolarHBondContact NE2-OD2 2.93Å; K118-D155 VanDerWaalsContact NZ-CG 3.31Å; K118-D155 IonicContact NZ-OD1 2.71Å; K118-D155 IonicContact NZ-OD2 2.68Å; K118-D155 PolarHBondContact NZ-OD2 3.17Å; D155-D157 PolarHBondContact O-N 2.9Å | ||
| 156 | E | 53.1 | Low | 60.4 | Low | 192 Ų | 192 | 105.9 Ų | 105.9 | 90% | 0.897 | 56% | 0.564 | S | S | * | * | trans | -77.2 | 100.3 | 158.5 | -69.7 | -162.8 | 145.9 | 0 | 0 | 107.6 | G154 P158 | G154-E156 PolarHBondContact O-N 2.85Å; E156-P158 WeakPolarHBondContact O-CD 3.49Å | ||
| 157 | D | 44.6 | Very low | 59.2 | Low | 130 Ų | 130 | 104 Ų | 104 | 70% | 0.695 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 123.9 | -179.4 | -73.8 | -42.7 | 0 | 0 | 0 | 111.5 | D155 | D155-D157 PolarHBondContact O-N 2.9Š|
| 158 | P | 45.2 | Very low | 58 | Low | 106 Ų | 106 | 103 Ų | 103 | 69% | 0.688 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 148.6 | 149.6 | -7.6 | 24.5 | 0 | 0 | 0 | 108.6 | E156 Y160 | E156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-Y160 PolarHBondContact O-N 3.45Å |
| 159 | P | 41.3 | Very low | 56.3 | Low | 126 Ų | 126 | 103.9 Ų | 103.9 | 82% | 0.818 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 120.5 | -178.1 | 21.4 | -30.9 | 0 | 0 | 0 | 110.6 | Q161 | P159-Q161 PolarHBondContact O-N 3.24Š|
| 160 | Y | 40.2 | Very low | 54.6 | Low | 176 Ų | 176 | 109.8 Ų | 109.8 | 69% | 0.69 | 59% | 0.585 | S | S | * | * | trans | -46 | 103.1 | 174.1 | -179.7 | -101.2 | 0 | 0 | 0 | 110.5 | P158 P162 | P158-Y160 PolarHBondContact O-N 3.45Å; Y160-P162 HydrophobicContact CD1-CB 4.28Å; Y160-P162 VanDerWaalsContact CE1-CA 3.45Å; Y160-P162 HydrophobicContact CE1-CB 3.6Å; Y160-P162 HydrophobicContact CE1-CG 4.41Å | ||
| 161 | Q | 40.3 | Very low | 53 | Low | 173 Ų | 173 | 113.2 Ų | 113.2 | 81% | 0.808 | 60% | 0.601 | S | S | * | * | trans | -75.1 | 120.3 | 149.7 | -74.2 | -160.1 | -9.8 | 0 | 0 | 105.9 | P159 V163 | P159-Q161 PolarHBondContact O-N 3.24Å; Q161-V163 PolarHBondContact O-N 2.99Å | ||
| 162 | P | 40.8 | Very low | 52.1 | Low | 92 Ų | 92 | 107.7 Ų | 107.7 | 60% | 0.597 | 58% | 0.575 | S | S | * | * | trans | -56.3 | 115.7 | 173.3 | 20.3 | -28.3 | 0 | 0 | 0 | 107.7 | Y160 R164 | Y160-P162 HydrophobicContact CD1-CB 4.28Å; Y160-P162 VanDerWaalsContact CE1-CA 3.45Å; Y160-P162 HydrophobicContact CE1-CB 3.6Å; Y160-P162 HydrophobicContact CE1-CG 4.41Å; P162-R164 PolarHBondContact O-N 3.47Å | ||
| 163 | V | 47.4 | Very low | 51.1 | Low | 112 Ų | 112 | 111.7 Ų | 111.7 | 68% | 0.679 | 59% | 0.587 | S | S | * | * | trans | -53.1 | 112.5 | 161.2 | 175.4 | 0 | 0 | 0 | 0 | 104.7 | Q161 H165 | Q161-V163 PolarHBondContact O-N 2.99Å; V163-H165 VanDerWaalsContact C-N 3.33Å; V163-H165 PolarHBondContact O-N 3.1Å | ||
| 164 | R | 37.9 | Very low | 50.3 | Low | 238 Ų | 238 | 112.4 Ų | 112.4 | 90% | 0.898 | 60% | 0.599 | S | S | * | * | trans | -57.2 | 102.2 | 175.1 | -153.7 | 178 | -155.9 | 175.7 | 4.7 | 106.1 | P162 | P162-R164 PolarHBondContact O-N 3.47Š| ||
| 165 | H | 42.7 | Very low | 50.1 | Low | 116 Ų | 116 | 113.3 Ų | 113.3 | 54% | 0.537 | 59% | 0.588 | S | S | . | * | trans | -51.9 | 138.8 | 171.7 | -69.4 | -62.9 | 0 | 0 | 0 | 107.5 | V163 | V163-H165 VanDerWaalsContact C-N 3.33Å; V163-H165 PolarHBondContact O-N 3.1Å | ||
| 166 | P | 47.9 | Very low | 49.9 | Very low | 87 Ų | 87 | 112.8 Ų | 112.8 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | trans | -51.6 | 133.2 | 168.4 | -18.4 | 28.9 | 0 | 0 | 0 | 107.4 | H168 Q169 | P166-H168 PolarHBondContact O-N 3.11Å; P166-Q169 PolarHBondContact O-N 3.36Å | ||
| 167 | P | 45.6 | Very low | 50 | Low | 101 Ų | 101 | 108.6 Ų | 108.6 | 66% | 0.656 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 4.1 | -164.9 | 19.4 | -31.2 | 0 | 0 | 0 | 116.5 | ||
| 168 | H | 52.7 | Low | 50.8 | Low | 77 Ų | 77 | 104 Ų | 104 | 36% | 0.356 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.2 | 0.2 | -169.8 | -65.7 | -70.3 | 0 | 0 | 0 | 115.2 | P166 E171 W184 | P166-H168 PolarHBondContact O-N 3.11Å; H168-E171 IonicContact CE1-OE2 3.64Å; H168-E171 IonicContact CG-OE2 3.93Å; H168-E171 IonicContact ND1-OE2 3.52Å; H168-E171 PolarHBondContact ND1-OE2 3.46Å; H168-W184 HydrophobicContact CB-CD2 3.71Å; H168-W184 HydrophobicContact CB-CE3 4.4Å; H168-W184 HydrophobicContact CB-CG 3.76Å; H168-W184 HydrophobicContact CB-CZ2 4.15Å; H168-W184 AromaticContact CG-CE2 3.77Å; H168-W184 AromaticContact CG-CZ2 3.96Å; H168-W184 AromaticContact CG-NE1 3.71Å; H168-W184 AromaticContact ND1-CE2 3.85Å; H168-W184 AromaticContact ND1-CZ2 3.53Å |
| 169 | Q | 51.4 | Low | 51.7 | Low | 97 Ų | 97 | 101.3 Ų | 101.3 | 45% | 0.453 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -77.9 | -28.5 | 174 | -162.9 | 89.4 | 16.7 | 0 | 0 | 111.7 | P166 E171 Q173 | P166-Q169 PolarHBondContact O-N 3.36Å; Q169-E171 VanDerWaalsContact C-N 3.32Å; Q169-E171 PolarHBondContact O-N 3.12Å; Q169-Q173 WeakPolarHBondContact O-CG 3.36Å |
| 170 | E | 55.7 | Low | 53 | Low | 129 Ų | 129 | 103.5 Ų | 103.5 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.8 | -28.2 | 177.8 | -68.7 | -179.6 | 171.4 | 0 | 0 | 112.4 | Q173 | E170-Q173 WeakPolarHBondContact O-CB 3.38Å; E170-Q173 PolarHBondContact O-N 3.21Å |
| 171 | E | 58.7 | Low | 54.7 | Low | 95 Ų | 95 | 97.7 Ų | 97.7 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 179.1 | -71.2 | 176 | 143.2 | 0 | 0 | 112.4 | H168 Q169 Q173 A174 W184 | H168-E171 IonicContact CE1-OE2 3.64Å; H168-E171 IonicContact CG-OE2 3.93Å; H168-E171 IonicContact ND1-OE2 3.52Å; H168-E171 PolarHBondContact ND1-OE2 3.46Å; Q169-E171 VanDerWaalsContact C-N 3.32Å; Q169-E171 PolarHBondContact O-N 3.12Å; E171-Q173 VanDerWaalsContact C-N 3.29Å; E171-Q173 PolarHBondContact O-N 3.04Å; E171-A174 PolarHBondContact O-N 3.05Å; E171-W184 HydrophobicContact CB-CE3 4.41Å; E171-W184 HydrophobicContact CB-CZ3 3.99Å; E171-W184 WeakPolarHBondContact OE2-CH2 3.46Å; E171-W184 WeakPolarHBondContact OE2-CZ3 3.29Å |
| 172 | C | 65.1 | Low | 56.7 | Low | 4 Ų | 4 | 90.6 Ų | 90.6 | 3% | 0.027 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -74.9 | -21 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | A174 L175 C191 | C172-A174 PolarHBondContact O-N 2.89Å; C172-L175 PolarHBondContact O-N 3.47Å; C172-C191 WeakPolarHBondContact CA-SG 3.44Å; C172-C191 HydrophobicContact CB-CB 3.92Å; C172-C191 WeakPolarHBondContact CB-SG 3.37Å; C172-C191 PolarHBondContact N-SG 3.33Å; C172-C191 VanDerWaalsContact SG-CA 3.6Å; C172-C191 WeakPolarHBondContact SG-CB 3.38Å; C172-C191 CovalentContact SG-SG 2.03Å; C172-C191 PolarHBondContact SG-SG 2.92Å |
| 173 | Q | 59.9 | Low | 58.5 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.5 | -22.1 | 175.4 | -70.3 | 172.7 | -5.6 | 0 | 0 | 112.5 | Q169 E170 E171 L175 P179 | Q169-Q173 WeakPolarHBondContact O-CG 3.36Å; E170-Q173 WeakPolarHBondContact O-CB 3.38Å; E170-Q173 PolarHBondContact O-N 3.21Å; E171-Q173 VanDerWaalsContact C-N 3.29Å; E171-Q173 PolarHBondContact O-N 3.04Å; Q173-L175 VanDerWaalsContact C-N 3.34Å; Q173-P179 HydrophobicContact CB-CB 4.19Å; Q173-P179 HydrophobicContact CG-CB 3.8Å |
| 174 | A | 59.3 | Low | 59.9 | Low | 90 Ų | 90 | 84.1 Ų | 84.1 | 74% | 0.744 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E171 C172 | E171-A174 PolarHBondContact O-N 3.05Å; C172-A174 PolarHBondContact O-N 2.89Å |
| 175 | L | 61.2 | Low | 61.6 | Low | 84 Ų | 84 | 73.2 Ų | 73.2 | 44% | 0.44 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4.8 | -170 | -127.2 | 81.2 | 0 | 0 | 0 | 115.3 | C172 Q173 Y182 C191 | C172-L175 PolarHBondContact O-N 3.47Å; Q173-L175 VanDerWaalsContact C-N 3.34Å; L175-Y182 HydrophobicContact CD2-CD1 4.41Å; L175-Y182 HydrophobicContact CD2-CE1 4.25Å; L175-C191 HydrophobicContact CD2-CB 4.1Å |
| 176 | G | 56.3 | Low | 62.9 | Low | 32 Ų | 32 | 76.2 Ų | 76.2 | 33% | 0.33 | 42% | 0.417 | S | S | . | . | trans | 164.5 | -171.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | A178 | G176-A178 VanDerWaalsContact C-N 3.32Å; G176-A178 PolarHBondContact O-N 3.43Å | ||
| 177 | S | 54.8 | Low | 64 | Low | 105 Ų | 105 | 78.7 Ų | 78.7 | 73% | 0.734 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -77.4 | -8.1 | -172.6 | 51.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 178 | A | 62.7 | Low | 65.1 | Low | 32 Ų | 32 | 76.3 Ų | 76.3 | 26% | 0.264 | 41% | 0.405 | S | S | . | . | trans | -138.3 | 74.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G176 E180 Q181 | G176-A178 VanDerWaalsContact C-N 3.32Å; G176-A178 PolarHBondContact O-N 3.43Å; A178-E180 PolarHBondContact O-N 3.43Å; A178-E180 VanDerWaalsContact O-N 3.14Å; A178-Q181 HydrophobicContact CB-CG 4.12Å; A178-Q181 PolarHBondContact O-N 2.89Å; A178-Q181 VanDerWaalsContact O-N 3.15Å | ||
| 179 | P | 63.1 | Low | 66.2 | Low | 51 Ų | 51 | 79.6 Ų | 79.6 | 33% | 0.331 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -64.1 | -21.1 | -174.8 | 27.9 | -37.2 | 0 | 0 | 0 | 113.9 | Q173 Q181 Y182 | Q173-P179 HydrophobicContact CB-CB 4.19Å; Q173-P179 HydrophobicContact CG-CB 3.8Å; P179-Q181 PolarHBondContact O-N 3.36Å; P179-Y182 PolarHBondContact O-N 3.31Å |
| 180 | E | 69.1 | Low | 67.4 | Low | 172 Ų | 172 | 77.8 Ų | 77.8 | 80% | 0.804 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -67.5 | -15.3 | 177.8 | -55.3 | -169.5 | 179.8 | 0 | 0 | 113.6 | A178 Q194 | A178-E180 PolarHBondContact O-N 3.43Å; A178-E180 VanDerWaalsContact O-N 3.14Å; E180-Q194 PolarHBondContact O-NE2 3.18Å |
| 181 | Q | 77 | Confident | 68.6 | Low | 53 Ų | 53 | 72.7 Ų | 72.7 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -91.7 | -5.8 | -179 | -61 | -175.4 | -15.5 | 0 | 0 | 113.6 | A178 P179 L193 Q194 G200 | A178-Q181 HydrophobicContact CB-CG 4.12Å; A178-Q181 PolarHBondContact O-N 2.89Å; A178-Q181 VanDerWaalsContact O-N 3.15Å; P179-Q181 PolarHBondContact O-N 3.36Å; Q181-L193 HydrophobicContact CB-CD1 4.26Å; Q181-Q194 WeakPolarHBondContact O-CB 3.36Å; Q181-Q194 VanDerWaalsContact O-CG 3.32Å; Q181-Q194 WeakPolarHBondContact O-CG 3.47Å; Q181-Q194 PolarHBondContact O-N 3.44Å; Q181-G200 PolarHBondContact NE2-O 3.44Å; Q181-G200 PolarHBondContact OE1-O 2.6Å |
| 182 | Y | 80.9 | Confident | 69.7 | Low | 25 Ų | 25 | 68.2 Ų | 68.2 | 10% | 0.098 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.4 | -179.9 | -68.7 | -94.6 | 0 | 0 | 0 | 110.6 | L175 P179 T192 L193 | L175-Y182 HydrophobicContact CD2-CD1 4.41Å; L175-Y182 HydrophobicContact CD2-CE1 4.25Å; P179-Y182 PolarHBondContact O-N 3.31Å; Y182-T192 CarbonylContact C-O 3.19Å; Y182-T192 WeakPolarHBondContact CA-O 3.5Å; Y182-L193 HydrophobicContact CD1-CB 4.4Å; Y182-L193 HydrophobicContact CD1-CD1 4.23Å; Y182-L193 HydrophobicContact CD2-CD1 4.32Å; Y182-L193 HydrophobicContact CE1-CB 4.13Å; Y182-L193 HydrophobicContact CE1-CD1 3.78Å; Y182-L193 HydrophobicContact CE2-CD1 3.88Å; Y182-L193 HydrophobicContact CG-CD1 4.48Å |
| 183 | T | 78.4 | Confident | 70.8 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 16% | 0.16 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.9 | 177.9 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | L185 T192 Q194 | T183-L185 PolarHBondContact O-N 3.01Å; T183-T192 PolarHBondContact N-O 3Å; T183-T192 PolarHBondContact O-N 2.77Å; T183-T192 PolarHBondContact O-OG1 2.99Å; T183-Q194 PolarHBondContact OG1-NE2 3.17Å |
| 184 | W | 77.5 | Confident | 72.2 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 124 | 174.8 | -177.8 | -95.7 | 0 | 0 | 0 | 110.7 | H168 E171 E189 C191 | H168-W184 HydrophobicContact CB-CD2 3.71Å; H168-W184 HydrophobicContact CB-CE3 4.4Å; H168-W184 HydrophobicContact CB-CG 3.76Å; H168-W184 HydrophobicContact CB-CZ2 4.15Å; H168-W184 AromaticContact CG-CE2 3.77Å; H168-W184 AromaticContact CG-CZ2 3.96Å; H168-W184 AromaticContact CG-NE1 3.71Å; H168-W184 AromaticContact ND1-CE2 3.85Å; H168-W184 AromaticContact ND1-CZ2 3.53Å; E171-W184 HydrophobicContact CB-CE3 4.41Å; E171-W184 HydrophobicContact CB-CZ3 3.99Å; E171-W184 WeakPolarHBondContact OE2-CH2 3.46Å; E171-W184 WeakPolarHBondContact OE2-CZ3 3.29Å; W184-E189 VanDerWaalsContact CH2-C 3.41Å; W184-E189 HydrophobicContact CH2-CB 4.39Å; W184-E189 WeakPolarHBondContact CH2-O 3.32Å; W184-E189 VanDerWaalsContact CZ2-C 3.42Å; W184-E189 VanDerWaalsContact CZ2-CA 3.47Å; W184-E189 HydrophobicContact CZ2-CB 3.89Å; W184-C191 VanDerWaalsContact CE3-SG 3.54Å |
| 185 | L | 74.3 | Confident | 73.6 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 110 | 176.6 | -172.8 | 62.2 | 0 | 0 | 0 | 110 | T183 Q187 T188 E189 T190 T192 A277 T278 I282 | T183-L185 PolarHBondContact O-N 3.01Å; L185-Q187 HydrophobicContact CG-CB 4.23Å; L185-Q187 PolarHBondContact O-N 3.34Å; L185-Q187 VanDerWaalsContact O-N 3.15Å; L185-T188 WeakPolarHBondContact CB-OG1 3.38Å; L185-T188 HydrophobicContact CD2-CG2 3.92Å; L185-T188 WeakPolarHBondContact CD2-OG1 3.44Å; L185-T188 PolarHBondContact O-N 3.14Å; L185-E189 WeakPolarHBondContact O-CA 3.39Å; L185-E189 PolarHBondContact O-N 3.24Å; L185-T190 PolarHBondContact N-O 2.66Å; L185-T192 HydrophobicContact CB-CG2 4.16Å; L185-T192 HydrophobicContact CD2-CG2 4.41Å; L185-A277 HydrophobicContact CD1-CB 4.02Å; L185-T278 HydrophobicContact CD1-CG2 3.68Å; L185-I282 HydrophobicContact CD1-CD1 4.49Å; L185-I282 HydrophobicContact CD2-CD1 4.17Å |
| 186 | K | 68.8 | Low | 74.9 | Confident | 178 Ų | 178 | 57.5 Ų | 57.5 | 77% | 0.774 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -27 | 179.5 | -69.7 | -176 | -179.9 | 178.1 | 0 | 113.7 | ||
| 187 | Q | 70.6 | Confident | 76.4 | Confident | 139 Ų | 139 | 59.2 Ų | 59.2 | 65% | 0.65 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -32.4 | -176.7 | -67.3 | 166 | -10.9 | 0 | 0 | 113 | L185 | L185-Q187 HydrophobicContact CG-CB 4.23Å; L185-Q187 PolarHBondContact O-N 3.34Å; L185-Q187 VanDerWaalsContact O-N 3.15Å |
| 188 | T | 70.2 | Confident | 77.9 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 32% | 0.319 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -7.5 | -177 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | L185 T190 | L185-T188 WeakPolarHBondContact CB-OG1 3.38Å; L185-T188 HydrophobicContact CD2-CG2 3.92Å; L185-T188 WeakPolarHBondContact CD2-OG1 3.44Å; L185-T188 PolarHBondContact O-N 3.14Å; T188-T190 WeakPolarHBondContact CB-OG1 3.41Å; T188-T190 WeakPolarHBondContact O-CG2 3.23Å; T188-T190 PolarHBondContact O-N 3.31Å; T188-T190 PolarHBondContact OG1-OG1 3.14Å |
| 189 | E | 75.5 | Confident | 79 | Confident | 145 Ų | 145 | 60 Ų | 60 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 38.8 | -173.6 | -58.8 | -176.8 | 166 | 0 | 0 | 111.9 | W184 L185 | W184-E189 VanDerWaalsContact CH2-C 3.41Å; W184-E189 HydrophobicContact CH2-CB 4.39Å; W184-E189 WeakPolarHBondContact CH2-O 3.32Å; W184-E189 VanDerWaalsContact CZ2-C 3.42Å; W184-E189 VanDerWaalsContact CZ2-CA 3.47Å; W184-E189 HydrophobicContact CZ2-CB 3.89Å; L185-E189 WeakPolarHBondContact O-CA 3.39Å; L185-E189 PolarHBondContact O-N 3.24Å |
| 190 | T | 75.6 | Confident | 80.1 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 36% | 0.362 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.7 | -178.3 | 55 | 0 | 0 | 0 | 0 | 112.5 | L185 T188 | L185-T190 PolarHBondContact N-O 2.66Å; T188-T190 WeakPolarHBondContact CB-OG1 3.41Å; T188-T190 WeakPolarHBondContact O-CG2 3.23Å; T188-T190 PolarHBondContact O-N 3.31Å; T188-T190 PolarHBondContact OG1-OG1 3.14Å |
| 191 | C | 80.8 | Confident | 81 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 126.3 | 170 | -61.8 | 0 | 0 | 0 | 0 | 110.5 | C172 L175 W184 | C172-C191 WeakPolarHBondContact CA-SG 3.44Å; C172-C191 HydrophobicContact CB-CB 3.92Å; C172-C191 WeakPolarHBondContact CB-SG 3.37Å; C172-C191 PolarHBondContact N-SG 3.33Å; C172-C191 VanDerWaalsContact SG-CA 3.6Å; C172-C191 WeakPolarHBondContact SG-CB 3.38Å; C172-C191 CovalentContact SG-SG 2.03Å; C172-C191 PolarHBondContact SG-SG 2.92Å; L175-C191 HydrophobicContact CD2-CB 4.1Å; W184-C191 VanDerWaalsContact CE3-SG 3.54Å |
| 192 | T | 83.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.4 | -178.8 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | Y182 T183 L185 | Y182-T192 CarbonylContact C-O 3.19Å; Y182-T192 WeakPolarHBondContact CA-O 3.5Å; T183-T192 PolarHBondContact N-O 3Å; T183-T192 PolarHBondContact O-N 2.77Å; T183-T192 PolarHBondContact O-OG1 2.99Å; L185-T192 HydrophobicContact CB-CG2 4.16Å; L185-T192 HydrophobicContact CD2-CG2 4.41Å |
| 193 | L | 87.5 | Confident | 82.1 | Confident | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.12 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 136.1 | -179.9 | -171.8 | 70.1 | 0 | 0 | 0 | 109.8 | Q181 Y182 L201 L283 D363 | Q181-L193 HydrophobicContact CB-CD1 4.26Å; Y182-L193 HydrophobicContact CD1-CB 4.4Å; Y182-L193 HydrophobicContact CD1-CD1 4.23Å; Y182-L193 HydrophobicContact CD2-CD1 4.32Å; Y182-L193 HydrophobicContact CE1-CB 4.13Å; Y182-L193 HydrophobicContact CE1-CD1 3.78Å; Y182-L193 HydrophobicContact CE2-CD1 3.88Å; Y182-L193 HydrophobicContact CG-CD1 4.48Å; L193-L201 HydrophobicContact CD2-CB 4.13Å; L193-L283 HydrophobicContact CD2-CD2 4.38Å; L193-L283 WeakPolarHBondContact O-CB 3.48Å; L193-L283 PolarHBondContact O-N 2.93Å; L193-D363 HydrophobicContact CD2-CB 3.85Å |
| 194 | Q | 88.8 | Confident | 82.7 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 150 | 171.3 | -68.4 | 175 | 23 | 0 | 0 | 111.2 | E180 Q181 T183 G200 V280 P281 | E180-Q194 PolarHBondContact O-NE2 3.18Å; Q181-Q194 WeakPolarHBondContact O-CB 3.36Å; Q181-Q194 VanDerWaalsContact O-CG 3.32Å; Q181-Q194 WeakPolarHBondContact O-CG 3.47Å; Q181-Q194 PolarHBondContact O-N 3.44Å; T183-Q194 PolarHBondContact OG1-NE2 3.17Å; Q194-G200 WeakPolarHBondContact O-CA 3.31Å; Q194-V280 HydrophobicContact CG-CG1 3.79Å; Q194-P281 WeakPolarHBondContact CA-O 3.35Å |
| 195 | C | 89.3 | Confident | 83.4 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | trans | -120.7 | 140.2 | -173.1 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | S272 C273 P281 I282 L283 | C195-S272 PolarHBondContact SG-O 2.71Å; C195-C273 VanDerWaalsContact C-SG 3.54Å; C195-C273 HydrophobicContact CB-CB 3.63Å; C195-C273 WeakPolarHBondContact CB-SG 3.32Å; C195-C273 WeakPolarHBondContact SG-CA 3.39Å; C195-C273 WeakPolarHBondContact SG-CB 3.37Å; C195-C273 PolarHBondContact SG-N 3.08Å; C195-C273 VanDerWaalsContact SG-N 3.44Å; C195-C273 CovalentContact SG-SG 2.02Å; C195-C273 PolarHBondContact SG-SG 3.42Å; C195-P281 PolarHBondContact N-O 2.01Å; C195-P281 VanDerWaalsContact O-CG 3.32Å; C195-P281 WeakPolarHBondContact O-CG 3.43Å; C195-I282 VanDerWaalsContact CB-C 3.49Å; C195-L283 HydrophobicContact CB-CB 4.27Å; C195-L283 HydrophobicContact CB-CD1 4.31Å | ||
| 196 | G | 87.8 | Confident | 84.3 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 153.5 | -173.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | K207 | G196-K207 WeakPolarHBondContact O-CD 3.09Å; G196-K207 PolarHBondContact O-NZ 3.46Å |
| 197 | Y | 88.1 | Confident | 85.6 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 27% | 0.271 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -81.6 | -35.4 | 172.2 | -84.7 | -79.2 | 0 | 0 | 0 | 112.6 | R204 K207 V208 D211 R268 | Y197-R204 VanDerWaalsContact O-CA 3.27Å; Y197-R204 WeakPolarHBondContact O-CA 3.37Å; Y197-R204 WeakPolarHBondContact O-CB 3.44Å; Y197-K207 HydrophobicContact CD1-CB 4.15Å; Y197-K207 HydrophobicContact CE1-CB 4.39Å; Y197-V208 HydrophobicContact CD1-CG2 4.2Å; Y197-V208 HydrophobicContact CE1-CG2 4.13Å; Y197-D211 PolarHBondContact OH-OD2 3.09Å; Y197-R268 HydrophobicContact CE2-CB 4.06Å |
| 198 | D | 87.9 | Confident | 86.7 | Confident | 118 Ų | 118 | 53.3 Ų | 53.3 | 63% | 0.631 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -101.7 | -9.9 | -175 | -57 | -57.6 | 0 | 0 | 0 | 113.1 | R204 | D198-R204 VanDerWaalsContact OD1-CD 3.3Å; D198-R204 WeakPolarHBondContact OD1-CD 3.36Å; D198-R204 IonicContact OD1-CZ 3.58Å; D198-R204 IonicContact OD1-NE 3.89Å; D198-R204 IonicContact OD1-NH1 3.37Å; D198-R204 PolarHBondContact OD1-NH1 3.04Å; D198-R204 IonicContact OD2-NH1 3.81Å; D198-R204 PolarHBondContact OD2-NH1 3Å |
| 199 | S | 84.9 | Confident | 88 | Confident | 36 Ų | 36 | 56 Ų | 56 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -113.6 | 163.2 | 176.6 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | K207 | S199-K207 PolarHBondContact O-NZ 3.38Š|
| 200 | G | 86.4 | Confident | 89 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 96.4 | -179 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q181 Q194 Y202 | Q181-G200 PolarHBondContact NE2-O 3.44Å; Q181-G200 PolarHBondContact OE1-O 2.6Å; Q194-G200 WeakPolarHBondContact O-CA 3.31Å; G200-Y202 PolarHBondContact O-N 3.45Å |
| 201 | L | 87.4 | Confident | 90 | Very high | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -65.7 | -38.1 | -169.2 | -168.5 | 67.9 | 0 | 0 | 0 | 112.3 | L193 D363 P460 | L193-L201 HydrophobicContact CD2-CB 4.13Å; L201-D363 PolarHBondContact N-OD2 3.19Å; L201-P460 HydrophobicContact CG-CB 4.11Å; L201-P460 HydrophobicContact CG-CG 4.5Å; L201-P460 WeakPolarHBondContact O-CB 3.5Å |
| 202 | Y | 90.1 | Very high | 90.7 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -98 | 141.3 | -177.2 | -65 | -85.1 | 0 | 0 | 0 | 112.8 | G200 K207 D363 L364 P460 Y464 V465 | G200-Y202 PolarHBondContact O-N 3.45Å; Y202-K207 WeakPolarHBondContact O-CE 3.38Å; Y202-D363 PolarHBondContact N-OD2 3.32Å; Y202-L364 HydrophobicContact CD1-CD1 3.99Å; Y202-L364 HydrophobicContact CD2-CB 3.78Å; Y202-L364 HydrophobicContact CD2-CD1 4.23Å; Y202-L364 HydrophobicContact CE2-CB 3.94Å; Y202-L364 HydrophobicContact CG-CB 4.28Å; Y202-L364 HydrophobicContact CG-CD1 3.84Å; Y202-P460 HydrophobicContact CD1-CB 4.14Å; Y202-P460 HydrophobicContact CE1-CB 4.09Å; Y202-Y464 HydrophobicContact CE1-CD1 4.42Å; Y202-Y464 HydrophobicContact CE2-CD1 4.33Å; Y202-Y464 HydrophobicContact CE2-CE1 4.36Å; Y202-Y464 AromaticContact CZ-CD1 3.68Å; Y202-Y464 WeakPolarHBondContact OH-CD1 3.21Å; Y202-V465 HydrophobicContact CD1-CG2 3.9Å; Y202-V465 HydrophobicContact CE1-CG2 3.58Å |
| 203 | R | 90.2 | Very high | 91.4 | Very high | 220 Ų | 220 | 52.3 Ų | 52.3 | 83% | 0.83 | 27% | 0.267 | S | S | * | . | trans | -65.1 | 152.3 | 175.9 | -63.7 | -179.3 | -178.3 | 166.5 | 0.9 | 111.6 | G205 A206 K207 | R203-G205 PolarHBondContact O-N 3.19Å; R203-G205 VanDerWaalsContact O-N 3.11Å; R203-A206 PolarHBondContact O-N 2.91Å; R203-K207 PolarHBondContact O-N 3.01Å | ||
| 204 | R | 92.1 | Very high | 91.9 | Very high | 139 Ų | 139 | 51.2 Ų | 51.2 | 53% | 0.525 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -45.8 | -45.1 | 175.2 | -172.3 | -174.5 | -168.2 | 137.8 | -9 | 113.6 | Y197 D198 A206 K207 V208 | Y197-R204 VanDerWaalsContact O-CA 3.27Å; Y197-R204 WeakPolarHBondContact O-CA 3.37Å; Y197-R204 WeakPolarHBondContact O-CB 3.44Å; D198-R204 VanDerWaalsContact OD1-CD 3.3Å; D198-R204 WeakPolarHBondContact OD1-CD 3.36Å; D198-R204 IonicContact OD1-CZ 3.58Å; D198-R204 IonicContact OD1-NE 3.89Å; D198-R204 IonicContact OD1-NH1 3.37Å; D198-R204 PolarHBondContact OD1-NH1 3.04Å; D198-R204 IonicContact OD2-NH1 3.81Å; D198-R204 PolarHBondContact OD2-NH1 3Å; R204-A206 PolarHBondContact O-N 3.35Å; R204-K207 PolarHBondContact O-N 2.99Å; R204-V208 HydrophobicContact CG-CG2 4.22Å; R204-V208 WeakPolarHBondContact O-CG2 3.46Å; R204-V208 PolarHBondContact O-N 3.31Å |
| 205 | G | 92.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.4 | -43.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R203 V208 F209 | R203-G205 PolarHBondContact O-N 3.19Å; R203-G205 VanDerWaalsContact O-N 3.11Å; G205-V208 PolarHBondContact O-N 3.3Å; G205-F209 WeakPolarHBondContact O-CB 3.25Å; G205-F209 PolarHBondContact O-N 3.05Å |
| 206 | A | 92.9 | Very high | 92.7 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 24% | 0.24 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R203 R204 T210 L364 | R203-A206 PolarHBondContact O-N 2.91Å; R204-A206 PolarHBondContact O-N 3.35Å; A206-T210 WeakPolarHBondContact O-CB 3.4Å; A206-T210 PolarHBondContact O-N 3.35Å; A206-T210 PolarHBondContact O-OG1 3.44Å; A206-L364 HydrophobicContact CB-CD1 4.3Å |
| 207 | K | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 176.2 | -66.4 | 177.7 | 174 | -176.8 | 0 | 111.9 | G196 Y197 S199 Y202 R203 R204 T210 D211 D363 | G196-K207 WeakPolarHBondContact O-CD 3.09Å; G196-K207 PolarHBondContact O-NZ 3.46Å; Y197-K207 HydrophobicContact CD1-CB 4.15Å; Y197-K207 HydrophobicContact CE1-CB 4.39Å; S199-K207 PolarHBondContact O-NZ 3.38Å; Y202-K207 WeakPolarHBondContact O-CE 3.38Å; R203-K207 PolarHBondContact O-N 3.01Å; R204-K207 PolarHBondContact O-N 2.99Å; K207-T210 WeakPolarHBondContact O-CB 3.34Å; K207-T210 PolarHBondContact O-N 2.94Å; K207-D211 VanDerWaalsContact O-CG 3.27Å; K207-D211 PolarHBondContact O-N 3.26Å; K207-D211 VanDerWaalsContact O-OD1 3.14Å; K207-D363 VanDerWaalsContact CE-O 3.3Å; K207-D363 WeakPolarHBondContact CE-O 3.44Å; K207-D363 WeakPolarHBondContact CE-OD1 3.25Å; K207-D363 WeakPolarHBondContact CE-OD2 3.48Å; K207-D363 VanDerWaalsContact NZ-CG 3.29Å; K207-D363 IonicContact NZ-OD1 3.17Å; K207-D363 PolarHBondContact NZ-OD1 3.02Å; K207-D363 IonicContact NZ-OD2 3.69Å; K207-D363 PolarHBondContact NZ-OD2 2.89Å; K207-D363 VanDerWaalsContact NZ-OD2 3.16Å |
| 208 | V | 95.7 | Very high | 93.7 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | Y197 R204 G205 T210 D211 A212 | Y197-V208 HydrophobicContact CD1-CG2 4.2Å; Y197-V208 HydrophobicContact CE1-CG2 4.13Å; R204-V208 HydrophobicContact CG-CG2 4.22Å; R204-V208 WeakPolarHBondContact O-CG2 3.46Å; R204-V208 PolarHBondContact O-N 3.31Å; G205-V208 PolarHBondContact O-N 3.3Å; V208-T210 VanDerWaalsContact C-N 3.33Å; V208-T210 PolarHBondContact O-N 2.99Å; V208-D211 PolarHBondContact O-N 3.44Å; V208-A212 PolarHBondContact O-N 3.32Å |
| 209 | F | 95.9 | Very high | 94.2 | Very high | 109 Ų | 109 | 51.6 Ų | 51.6 | 48% | 0.478 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.9 | 173 | -101.3 | 0 | 0 | 0 | 111.5 | G205 D211 A212 W213 M469 | G205-F209 WeakPolarHBondContact O-CB 3.25Å; G205-F209 PolarHBondContact O-N 3.05Å; F209-D211 VanDerWaalsContact C-N 3.33Å; F209-D211 PolarHBondContact O-N 3.36Å; F209-A212 PolarHBondContact O-N 3.42Å; F209-W213 HydrophobicContact CZ-CE3 4.24Å; F209-W213 WeakPolarHBondContact O-CB 3.48Å; F209-W213 PolarHBondContact O-N 3.45Å; F209-M469 HydrophobicContact CE1-CG 4.1Å |
| 210 | T | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 177.2 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | A206 K207 V208 A212 W213 M214 L364 T365 M469 | A206-T210 WeakPolarHBondContact O-CB 3.4Å; A206-T210 PolarHBondContact O-N 3.35Å; A206-T210 PolarHBondContact O-OG1 3.44Å; K207-T210 WeakPolarHBondContact O-CB 3.34Å; K207-T210 PolarHBondContact O-N 2.94Å; V208-T210 VanDerWaalsContact C-N 3.33Å; V208-T210 PolarHBondContact O-N 2.99Å; T210-A212 PolarHBondContact O-N 2.9Å; T210-W213 PolarHBondContact O-N 2.86Å; T210-M214 HydrophobicContact CG2-CE 3.92Å; T210-M214 HydrophobicContact CG2-CG 4.45Å; T210-M214 HydrophobicContact CG2-SD 4.27Å; T210-M214 WeakPolarHBondContact O-CB 3.31Å; T210-M214 WeakPolarHBondContact O-CG 3.46Å; T210-M214 PolarHBondContact O-N 3.27Å; T210-L364 HydrophobicContact CG2-CG 4.38Å; T210-L364 WeakPolarHBondContact OG1-CD1 3.5Å; T210-T365 HydrophobicContact CG2-CG2 3.95Å; T210-M469 HydrophobicContact CG2-CE 3.44Å; T210-M469 VanDerWaalsContact CG2-CE 3.44Å; T210-M469 HydrophobicContact CG2-SD 4.09Å |
| 211 | D | 96.4 | Very high | 95.2 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 176.9 | -73.5 | 9.4 | 0 | 0 | 0 | 112.2 | Y197 K207 V208 F209 M214 A215 R263 L264 R268 | Y197-D211 PolarHBondContact OH-OD2 3.09Å; K207-D211 VanDerWaalsContact O-CG 3.27Å; K207-D211 PolarHBondContact O-N 3.26Å; K207-D211 VanDerWaalsContact O-OD1 3.14Å; V208-D211 PolarHBondContact O-N 3.44Å; F209-D211 VanDerWaalsContact C-N 3.33Å; F209-D211 PolarHBondContact O-N 3.36Å; D211-M214 PolarHBondContact O-N 3.24Å; D211-A215 WeakPolarHBondContact O-CB 3.36Å; D211-A215 PolarHBondContact O-N 3.13Å; D211-R263 IonicContact OD1-CZ 2.72Å; D211-R263 IonicContact OD1-NH1 3.07Å; D211-R263 PolarHBondContact OD1-NH1 3.39Å; D211-R263 IonicContact OD2-CZ 2.84Å; D211-R263 IonicContact OD2-NH1 2.82Å; D211-R263 PolarHBondContact OD2-NH1 3.31Å; D211-R263 IonicContact OD2-NH2 3.83Å; D211-L264 HydrophobicContact CB-CD2 4.01Å; D211-R268 IonicContact OD1-CZ 3.01Å; D211-R268 IonicContact OD1-NH2 3.02Å; D211-R268 PolarHBondContact OD1-NH2 3.4Å |
| 212 | A | 96.9 | Very high | 95.7 | Very high | 55 Ų | 55 | 55.9 Ų | 55.9 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V208 F209 T210 A215 V216 | V208-A212 PolarHBondContact O-N 3.32Å; F209-A212 PolarHBondContact O-N 3.42Å; T210-A212 PolarHBondContact O-N 2.9Å; A212-A215 PolarHBondContact O-N 3.44Å; A212-V216 WeakPolarHBondContact O-CG2 3.02Å; A212-V216 PolarHBondContact O-N 2.9Å; A212-V216 VanDerWaalsContact O-N 3.07Å |
| 213 | W | 97.3 | Very high | 96 | Very high | 79 Ų | 79 | 60.1 Ų | 60.1 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -50 | 177 | -173.4 | -100.2 | 0 | 0 | 0 | 111.8 | F209 T210 A215 V216 W217 M469 F473 | F209-W213 HydrophobicContact CZ-CE3 4.24Å; F209-W213 WeakPolarHBondContact O-CB 3.48Å; F209-W213 PolarHBondContact O-N 3.45Å; T210-W213 PolarHBondContact O-N 2.86Å; W213-A215 VanDerWaalsContact C-N 3.33Å; W213-A215 PolarHBondContact O-N 3.2Å; W213-V216 PolarHBondContact O-N 3Å; W213-W217 AromaticContact CD1-CD1 3.92Å; W213-W217 AromaticContact CD2-CD1 3.81Å; W213-W217 AromaticContact CD2-NE1 3.59Å; W213-W217 AromaticContact CE2-CD1 3.55Å; W213-W217 AromaticContact CE2-NE1 3.24Å; W213-W217 AromaticContact CE3-NE1 3.88Å; W213-W217 HydrophobicContact CH2-CZ2 4.43Å; W213-W217 AromaticContact CH2-NE1 3.57Å; W213-W217 AromaticContact CZ2-CD1 4Å; W213-W217 AromaticContact CZ2-NE1 3.24Å; W213-W217 AromaticContact CZ3-NE1 3.87Å; W213-W217 AromaticContact NE1-CD1 3.62Å; W213-W217 AromaticContact NE1-NE1 3.8Å; W213-W217 PolarHBondContact O-N 3.22Å; W213-M469 HydrophobicContact CB-SD 3.96Å; W213-M469 HydrophobicContact CG-CG 4.48Å; W213-M469 HydrophobicContact CG-SD 3.76Å; W213-M469 PolarHBondContact NE1-O 3.41Å; W213-M469 VanDerWaalsContact NE1-O 3.08Å; W213-F473 HydrophobicContact CZ2-CB 4.07Å; W213-F473 HydrophobicContact CZ2-CG 4.46Å |
| 214 | M | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 176 | -71.3 | -173.3 | -59 | 0 | 0 | 111.6 | T210 D211 A218 Y260 T365 L367 I472 | T210-M214 HydrophobicContact CG2-CE 3.92Å; T210-M214 HydrophobicContact CG2-CG 4.45Å; T210-M214 HydrophobicContact CG2-SD 4.27Å; T210-M214 WeakPolarHBondContact O-CB 3.31Å; T210-M214 WeakPolarHBondContact O-CG 3.46Å; T210-M214 PolarHBondContact O-N 3.27Å; D211-M214 PolarHBondContact O-N 3.24Å; M214-A218 WeakPolarHBondContact O-CB 3.48Å; M214-A218 PolarHBondContact O-N 3.08Å; M214-Y260 HydrophobicContact CB-CD1 4.13Å; M214-Y260 HydrophobicContact CG-CD1 3.96Å; M214-Y260 HydrophobicContact CG-CE1 4.33Å; M214-Y260 HydrophobicContact SD-CD1 3.77Å; M214-Y260 HydrophobicContact SD-CE1 4.15Å; M214-T365 HydrophobicContact SD-CG2 4.46Å; M214-L367 HydrophobicContact SD-CD1 3.85Å; M214-L367 HydrophobicContact SD-CG 4.3Å; M214-I472 HydrophobicContact CG-CD1 4.04Å; M214-I472 HydrophobicContact CG-CG2 4.29Å; M214-I472 HydrophobicContact SD-CD1 4.21Å |
| 215 | A | 97.9 | Very high | 96.3 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.3 | -49.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | D211 A212 W213 W217 V219 L264 | D211-A215 WeakPolarHBondContact O-CB 3.36Å; D211-A215 PolarHBondContact O-N 3.13Å; A212-A215 PolarHBondContact O-N 3.44Å; W213-A215 VanDerWaalsContact C-N 3.33Å; W213-A215 PolarHBondContact O-N 3.2Å; A215-W217 PolarHBondContact O-N 3.23Å; A215-V219 WeakPolarHBondContact O-CB 3.49Å; A215-V219 VanDerWaalsContact O-CG2 3.24Å; A215-V219 WeakPolarHBondContact O-CG2 3.46Å; A215-V219 PolarHBondContact O-N 3.39Å; A215-L264 HydrophobicContact CB-CD1 3.66Å |
| 216 | V | 97.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 43 Ų | 43 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.7 | -53 | -178.8 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | A212 W213 L220 | A212-V216 WeakPolarHBondContact O-CG2 3.02Å; A212-V216 PolarHBondContact O-N 2.9Å; A212-V216 VanDerWaalsContact O-N 3.07Å; W213-V216 PolarHBondContact O-N 3Å; V216-L220 HydrophobicContact CG1-CD1 4.16Å; V216-L220 WeakPolarHBondContact O-CG 3.41Å; V216-L220 PolarHBondContact O-N 3.04Å; V216-L220 VanDerWaalsContact O-N 3.13Å |
| 217 | W | 98.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.1 | -35.1 | -175.2 | -66.2 | 116.6 | 0 | 0 | 0 | 112.8 | W213 A215 L220 C221 F473 L476 I480 | W213-W217 AromaticContact CD1-CD1 3.92Å; W213-W217 AromaticContact CD2-CD1 3.81Å; W213-W217 AromaticContact CD2-NE1 3.59Å; W213-W217 AromaticContact CE2-CD1 3.55Å; W213-W217 AromaticContact CE2-NE1 3.24Å; W213-W217 AromaticContact CE3-NE1 3.88Å; W213-W217 HydrophobicContact CH2-CZ2 4.43Å; W213-W217 AromaticContact CH2-NE1 3.57Å; W213-W217 AromaticContact CZ2-CD1 4Å; W213-W217 AromaticContact CZ2-NE1 3.24Å; W213-W217 AromaticContact CZ3-NE1 3.87Å; W213-W217 AromaticContact NE1-CD1 3.62Å; W213-W217 AromaticContact NE1-NE1 3.8Å; W213-W217 PolarHBondContact O-N 3.22Å; A215-W217 PolarHBondContact O-N 3.23Å; W217-L220 HydrophobicContact CE3-CD1 3.9Å; W217-L220 HydrophobicContact CZ3-CD1 3.93Å; W217-L220 PolarHBondContact O-N 3.46Å; W217-C221 VanDerWaalsContact O-CB 3.24Å; W217-C221 WeakPolarHBondContact O-CB 3.22Å; W217-C221 PolarHBondContact O-N 3.01Å; W217-F473 AromaticContact CD2-CD2 3.63Å; W217-F473 HydrophobicContact CD2-CD2 3.63Å; W217-F473 HydrophobicContact CD2-CE2 4.1Å; W217-F473 AromaticContact CE2-CD2 3.46Å; W217-F473 VanDerWaalsContact CE2-CD2 3.46Å; W217-F473 AromaticContact CE2-CE2 3.9Å; W217-F473 AromaticContact CE3-CD2 3.9Å; W217-F473 HydrophobicContact CE3-CD2 3.9Å; W217-F473 AromaticContact CE3-CE2 3.94Å; W217-F473 HydrophobicContact CE3-CE2 3.94Å; W217-F473 HydrophobicContact CG-CD2 4.23Å; W217-F473 AromaticContact CH2-CD2 3.9Å; W217-F473 HydrophobicContact CH2-CD2 3.9Å; W217-F473 AromaticContact CH2-CE2 3.41Å; W217-F473 HydrophobicContact CH2-CE2 3.41Å; W217-F473 VanDerWaalsContact CH2-CE2 3.41Å; W217-F473 HydrophobicContact CH2-CZ 4.42Å; W217-F473 AromaticContact CZ2-CD2 3.61Å; W217-F473 HydrophobicContact CZ2-CD2 3.61Å; W217-F473 AromaticContact CZ2-CE2 3.56Å; W217-F473 HydrophobicContact CZ2-CE2 3.56Å; W217-F473 HydrophobicContact CZ3-CD2 4.03Å; W217-F473 AromaticContact CZ3-CE2 3.61Å; W217-F473 HydrophobicContact CZ3-CE2 3.61Å; W217-F473 AromaticContact NE1-CD2 3.93Å; W217-L476 HydrophobicContact CB-CB 4.31Å; W217-L476 HydrophobicContact CB-CD1 3.58Å; W217-I480 HydrophobicContact CE3-CD1 3.85Å; W217-I480 HydrophobicContact CZ3-CD1 4.16Å |
| 218 | A | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M214 C221 F222 Y260 L261 L476 | M214-A218 WeakPolarHBondContact O-CB 3.48Å; M214-A218 PolarHBondContact O-N 3.08Å; A218-C221 PolarHBondContact O-N 3.25Å; A218-F222 WeakPolarHBondContact O-CB 3.44Å; A218-F222 PolarHBondContact O-N 3.47Å; A218-Y260 HydrophobicContact CB-CG 4.29Å; A218-L261 HydrophobicContact CB-CD2 4.04Å; A218-L261 HydrophobicContact CB-CG 4.33Å; A218-L476 HydrophobicContact CB-CD1 4.45Å |
| 219 | V | 98.1 | Very high | 95.8 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 39% | 0.388 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.5 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | A215 C221 F222 L223 L261 | A215-V219 WeakPolarHBondContact O-CB 3.49Å; A215-V219 VanDerWaalsContact O-CG2 3.24Å; A215-V219 WeakPolarHBondContact O-CG2 3.46Å; A215-V219 PolarHBondContact O-N 3.39Å; V219-C221 PolarHBondContact O-N 3.48Å; V219-F222 PolarHBondContact O-N 3.33Å; V219-L223 HydrophobicContact CG1-CD1 3.84Å; V219-L223 HydrophobicContact CG1-CG 4.29Å; V219-L223 WeakPolarHBondContact O-CB 3.46Å; V219-L223 VanDerWaalsContact O-CG 3.3Å; V219-L223 WeakPolarHBondContact O-CG 3.44Å; V219-L223 PolarHBondContact O-N 3.2Å; V219-L261 HydrophobicContact CG2-CD2 3.9Å |
| 220 | L | 96.4 | Very high | 95.4 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 44% | 0.44 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61 | -44.6 | 177.5 | -71.1 | 174.6 | 0 | 0 | 0 | 111.9 | V216 W217 S224 I480 | V216-L220 HydrophobicContact CG1-CD1 4.16Å; V216-L220 WeakPolarHBondContact O-CG 3.41Å; V216-L220 PolarHBondContact O-N 3.04Å; V216-L220 VanDerWaalsContact O-N 3.13Å; W217-L220 HydrophobicContact CE3-CD1 3.9Å; W217-L220 HydrophobicContact CZ3-CD1 3.93Å; W217-L220 PolarHBondContact O-N 3.46Å; L220-S224 VanDerWaalsContact O-CB 3.29Å; L220-S224 WeakPolarHBondContact O-CB 3.44Å; L220-S224 PolarHBondContact O-N 3.47Å; L220-S224 VanDerWaalsContact O-N 3.07Å; L220-I480 HydrophobicContact CB-CD1 3.95Å; L220-I480 HydrophobicContact CB-CG1 4.43Å |
| 221 | C | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | W217 A218 V219 L223 S224 T225 L476 I480 | W217-C221 VanDerWaalsContact O-CB 3.24Å; W217-C221 WeakPolarHBondContact O-CB 3.22Å; W217-C221 PolarHBondContact O-N 3.01Å; A218-C221 PolarHBondContact O-N 3.25Å; V219-C221 PolarHBondContact O-N 3.48Å; C221-L223 PolarHBondContact O-N 3.39Å; C221-S224 PolarHBondContact O-N 3.21Å; C221-T225 WeakPolarHBondContact O-CB 3.37Å; C221-T225 VanDerWaalsContact O-CG2 3.27Å; C221-T225 WeakPolarHBondContact O-CG2 3.17Å; C221-T225 PolarHBondContact O-N 3.07Å; C221-T225 PolarHBondContact O-OG1 3.09Å; C221-L476 HydrophobicContact CB-CB 4.17Å; C221-L476 HydrophobicContact CB-CD2 3.93Å; C221-L476 PolarHBondContact SG-O 3.19Å; C221-I480 HydrophobicContact CB-CG1 4.08Å |
| 222 | F | 97.6 | Very high | 94.5 | Very high | 65 Ų | 65 | 41 Ų | 41 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.5 | -48.6 | -179.9 | -178.4 | -99.3 | 0 | 0 | 0 | 111.9 | A218 V219 T225 T226 N254 S257 V258 L261 | A218-F222 WeakPolarHBondContact O-CB 3.44Å; A218-F222 PolarHBondContact O-N 3.47Å; V219-F222 PolarHBondContact O-N 3.33Å; F222-T225 PolarHBondContact O-OG1 3.26Å; F222-T225 VanDerWaalsContact O-OG1 3.13Å; F222-T226 WeakPolarHBondContact O-CB 3.33Å; F222-T226 PolarHBondContact O-N 3.23Å; F222-T226 PolarHBondContact O-OG1 2.86Å; F222-N254 WeakPolarHBondContact CD2-ND2 3.3Å; F222-N254 PolarHBondContact O-ND2 2.93Å; F222-S257 WeakPolarHBondContact CA-OG 3.26Å; F222-S257 WeakPolarHBondContact CB-OG 3.15Å; F222-V258 HydrophobicContact CD2-CG2 3.7Å; F222-V258 HydrophobicContact CE2-CG2 3.53Å; F222-L261 HydrophobicContact CB-CD1 4.25Å; F222-L261 HydrophobicContact CD2-CD1 4.32Å; F222-L261 HydrophobicContact CG-CD1 4.12Å |
| 223 | L | 95.3 | Very high | 94 | Very high | 104 Ų | 104 | 44 Ų | 44 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 179.9 | -68 | 175.4 | 0 | 0 | 0 | 111.9 | V219 C221 T226 L227 | V219-L223 HydrophobicContact CG1-CD1 3.84Å; V219-L223 HydrophobicContact CG1-CG 4.29Å; V219-L223 WeakPolarHBondContact O-CB 3.46Å; V219-L223 VanDerWaalsContact O-CG 3.3Å; V219-L223 WeakPolarHBondContact O-CG 3.44Å; V219-L223 PolarHBondContact O-N 3.2Å; C221-L223 PolarHBondContact O-N 3.39Å; L223-T226 PolarHBondContact O-N 2.94Å; L223-L227 WeakPolarHBondContact O-CB 3.46Å; L223-L227 PolarHBondContact O-N 3.3Å |
| 224 | S | 94.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | L220 C221 L227 T228 I480 G483 | L220-S224 VanDerWaalsContact O-CB 3.29Å; L220-S224 WeakPolarHBondContact O-CB 3.44Å; L220-S224 PolarHBondContact O-N 3.47Å; L220-S224 VanDerWaalsContact O-N 3.07Å; C221-S224 PolarHBondContact O-N 3.21Å; S224-L227 PolarHBondContact O-N 2.88Å; S224-T228 PolarHBondContact O-N 2.85Å; S224-T228 PolarHBondContact O-OG1 2.92Å; S224-I480 PolarHBondContact OG-O 3.3Å; S224-G483 WeakPolarHBondContact OG-CA 3.47Å |
| 225 | T | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.1 | -36.6 | 179.9 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | C221 F222 L227 T228 V229 S250 C253 N254 G479 | C221-T225 WeakPolarHBondContact O-CB 3.37Å; C221-T225 VanDerWaalsContact O-CG2 3.27Å; C221-T225 WeakPolarHBondContact O-CG2 3.17Å; C221-T225 PolarHBondContact O-N 3.07Å; C221-T225 PolarHBondContact O-OG1 3.09Å; F222-T225 PolarHBondContact O-OG1 3.26Å; F222-T225 VanDerWaalsContact O-OG1 3.13Å; T225-L227 PolarHBondContact O-N 3.02Å; T225-T228 WeakPolarHBondContact O-CA 3.37Å; T225-T228 VanDerWaalsContact O-CB 3.29Å; T225-T228 WeakPolarHBondContact O-CB 3.48Å; T225-T228 PolarHBondContact O-N 3.12Å; T225-T228 VanDerWaalsContact O-N 3.11Å; T225-V229 WeakPolarHBondContact O-CG2 3.33Å; T225-V229 PolarHBondContact O-N 3.3Å; T225-S250 WeakPolarHBondContact CA-OG 3.26Å; T225-C253 HydrophobicContact CG2-CB 3.87Å; T225-N254 WeakPolarHBondContact OG1-CA 3.24Å; T225-N254 WeakPolarHBondContact OG1-CB 3.16Å; T225-N254 PolarHBondContact OG1-ND2 3.34Å; T225-G479 WeakPolarHBondContact CG2-O 3.31Å |
| 226 | T | 93.6 | Very high | 92 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.221 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.6 | -60.7 | 0 | 0 | 0 | 0 | 111 | F222 L223 T228 V229 L230 N254 | F222-T226 WeakPolarHBondContact O-CB 3.33Å; F222-T226 PolarHBondContact O-N 3.23Å; F222-T226 PolarHBondContact O-OG1 2.86Å; L223-T226 PolarHBondContact O-N 2.94Å; T226-T228 PolarHBondContact O-N 3.14Å; T226-V229 PolarHBondContact O-N 2.74Å; T226-L230 HydrophobicContact CG2-CD1 3.73Å; T226-L230 HydrophobicContact CG2-CG 4.11Å; T226-L230 VanDerWaalsContact O-CB 3.31Å; T226-L230 WeakPolarHBondContact O-CB 3.49Å; T226-L230 VanDerWaalsContact O-CG 3.25Å; T226-L230 WeakPolarHBondContact O-CG 3.49Å; T226-L230 PolarHBondContact O-N 3.04Å; T226-N254 PolarHBondContact N-ND2 3.45Å; T226-N254 PolarHBondContact OG1-ND2 3.49Å |
| 227 | L | 90.4 | Very high | 91.2 | Very high | 61 Ų | 61 | 51.7 Ų | 51.7 | 32% | 0.319 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.3 | -38.3 | 175.3 | 178 | 64.5 | 0 | 0 | 0 | 111.4 | L223 S224 T225 T231 W495 | L223-L227 WeakPolarHBondContact O-CB 3.46Å; L223-L227 PolarHBondContact O-N 3.3Å; S224-L227 PolarHBondContact O-N 2.88Å; T225-L227 PolarHBondContact O-N 3.02Å; L227-T231 WeakPolarHBondContact O-CB 3.42Å; L227-T231 PolarHBondContact O-N 3.01Å; L227-T231 PolarHBondContact O-OG1 2.88Å; L227-W495 HydrophobicContact CD1-CH2 4.35Å; L227-W495 HydrophobicContact CD1-CZ2 3.59Å |
| 228 | T | 90.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.7 | -52.1 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | S224 T225 T226 T231 F232 I247 S250 G483 I486 | S224-T228 PolarHBondContact O-N 2.85Å; S224-T228 PolarHBondContact O-OG1 2.92Å; T225-T228 WeakPolarHBondContact O-CA 3.37Å; T225-T228 VanDerWaalsContact O-CB 3.29Å; T225-T228 WeakPolarHBondContact O-CB 3.48Å; T225-T228 PolarHBondContact O-N 3.12Å; T225-T228 VanDerWaalsContact O-N 3.11Å; T226-T228 PolarHBondContact O-N 3.14Å; T228-T231 PolarHBondContact O-N 2.83Å; T228-F232 PolarHBondContact O-N 2.77Å; T228-F232 VanDerWaalsContact O-N 3.1Å; T228-I247 HydrophobicContact CG2-CD1 4.3Å; T228-S250 WeakPolarHBondContact CB-OG 3.44Å; T228-S250 WeakPolarHBondContact CG2-OG 3.35Å; T228-G483 WeakPolarHBondContact OG1-CA 3.43Å; T228-I486 HydrophobicContact CG2-CD1 3.22Å; T228-I486 HydrophobicContact CG2-CG1 3.89Å |
| 229 | V | 90.8 | Very high | 89.7 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 178.2 | 175 | 0 | 0 | 0 | 0 | 110.9 | T225 T226 T231 F232 L233 M251 | T225-V229 WeakPolarHBondContact O-CG2 3.33Å; T225-V229 PolarHBondContact O-N 3.3Å; T226-V229 PolarHBondContact O-N 2.74Å; V229-T231 VanDerWaalsContact C-N 3.32Å; V229-T231 PolarHBondContact O-N 3.29Å; V229-F232 WeakPolarHBondContact O-CB 2.95Å; V229-F232 PolarHBondContact O-N 3.01Å; V229-F232 VanDerWaalsContact O-N 3.17Å; V229-L233 HydrophobicContact CG1-CD1 4.21Å; V229-L233 HydrophobicContact CG1-CG 4.43Å; V229-L233 WeakPolarHBondContact O-CG 3.35Å; V229-L233 PolarHBondContact O-N 3.15Å; V229-M251 HydrophobicContact CG2-CB 4.15Å |
| 230 | L | 89 | Confident | 89.1 | Confident | 75 Ų | 75 | 52 Ų | 52 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.8 | -72.1 | 176.5 | 0 | 0 | 0 | 112 | T226 F232 L233 L234 W495 | T226-L230 HydrophobicContact CG2-CD1 3.73Å; T226-L230 HydrophobicContact CG2-CG 4.11Å; T226-L230 VanDerWaalsContact O-CB 3.31Å; T226-L230 WeakPolarHBondContact O-CB 3.49Å; T226-L230 VanDerWaalsContact O-CG 3.25Å; T226-L230 WeakPolarHBondContact O-CG 3.49Å; T226-L230 PolarHBondContact O-N 3.04Å; L230-F232 VanDerWaalsContact C-N 3.29Å; L230-F232 PolarHBondContact O-N 2.92Å; L230-L233 HydrophobicContact CD2-CD1 4.5Å; L230-L233 PolarHBondContact O-N 2.75Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.36Å; L230-L234 PolarHBondContact O-N 3.03Å; L230-W495 HydrophobicContact CB-CH2 4Å; L230-W495 HydrophobicContact CB-CZ2 3.87Å; L230-W495 HydrophobicContact CD1-CH2 4.05Å |
| 231 | T | 87.4 | Confident | 88.8 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L227 T228 V229 L234 D235 F239 I486 T491 W495 | L227-T231 WeakPolarHBondContact O-CB 3.42Å; L227-T231 PolarHBondContact O-N 3.01Å; L227-T231 PolarHBondContact O-OG1 2.88Å; T228-T231 PolarHBondContact O-N 2.83Å; V229-T231 VanDerWaalsContact C-N 3.32Å; V229-T231 PolarHBondContact O-N 3.29Å; T231-L234 PolarHBondContact O-N 2.88Å; T231-D235 PolarHBondContact O-N 3.19Å; T231-F239 HydrophobicContact CG2-CZ 4.48Å; T231-I486 HydrophobicContact CG2-CG2 3.55Å; T231-T491 HydrophobicContact CG2-CG2 3.93Å; T231-W495 PolarHBondContact OG1-NE1 2.91Å |
| 232 | F | 86.1 | Confident | 88.3 | Confident | 24 Ų | 24 | 49 Ų | 49 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 173.7 | 171.6 | -99.2 | 0 | 0 | 0 | 112.5 | T228 V229 L230 L234 D235 S236 F239 I247 | T228-F232 PolarHBondContact O-N 2.77Å; T228-F232 VanDerWaalsContact O-N 3.1Å; V229-F232 WeakPolarHBondContact O-CB 2.95Å; V229-F232 PolarHBondContact O-N 3.01Å; V229-F232 VanDerWaalsContact O-N 3.17Å; L230-F232 VanDerWaalsContact C-N 3.29Å; L230-F232 PolarHBondContact O-N 2.92Å; F232-L234 PolarHBondContact O-N 3.28Å; F232-D235 CarbonylContact O-C 3.54Å; F232-D235 PolarHBondContact O-N 2.78Å; F232-S236 VanDerWaalsContact O-CA 3.24Å; F232-S236 WeakPolarHBondContact O-CA 3.39Å; F232-S236 PolarHBondContact O-N 3.34Å; F232-F239 HydrophobicContact CB-CD2 4.43Å; F232-F239 HydrophobicContact CD2-CB 3.98Å; F232-F239 AromaticContact CD2-CD2 3.72Å; F232-F239 HydrophobicContact CD2-CD2 3.72Å; F232-F239 HydrophobicContact CD2-CG 4.14Å; F232-F239 HydrophobicContact CE2-CB 4.16Å; F232-I247 HydrophobicContact CB-CD1 4.24Å; F232-I247 HydrophobicContact CB-CG1 4.39Å; F232-I247 HydrophobicContact CB-CG2 3.7Å; F232-I247 HydrophobicContact CD1-CG2 3.74Å; F232-I247 HydrophobicContact CD2-CB 4.39Å; F232-I247 HydrophobicContact CD2-CD1 4.49Å; F232-I247 HydrophobicContact CD2-CG1 3.9Å; F232-I247 HydrophobicContact CD2-CG2 3.9Å; F232-I247 HydrophobicContact CE1-CG2 4.33Å; F232-I247 HydrophobicContact CE2-CG2 4.48Å; F232-I247 HydrophobicContact CG-CB 4.44Å; F232-I247 HydrophobicContact CG-CG1 4.26Å; F232-I247 HydrophobicContact CG-CG2 3.49Å; F232-I247 VanDerWaalsContact CG-CG2 3.49Å |
| 233 | L | 86.4 | Confident | 87.8 | Confident | 118 Ų | 118 | 47.8 Ų | 47.8 | 62% | 0.618 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63 | -31.5 | 178.3 | -68.2 | 176.2 | 0 | 0 | 0 | 112.5 | V229 L230 | V229-L233 HydrophobicContact CG1-CD1 4.21Å; V229-L233 HydrophobicContact CG1-CG 4.43Å; V229-L233 WeakPolarHBondContact O-CG 3.35Å; V229-L233 PolarHBondContact O-N 3.15Å; L230-L233 HydrophobicContact CD2-CD1 4.5Å; L230-L233 PolarHBondContact O-N 2.75Å |
| 234 | L | 85.8 | Confident | 87.6 | Confident | 77 Ų | 77 | 46 Ų | 46 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74.5 | -30.9 | 175.7 | -70.2 | 173.8 | 0 | 0 | 0 | 113.4 | L230 T231 F232 T494 W495 C498 | L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.36Å; L230-L234 PolarHBondContact O-N 3.03Å; T231-L234 PolarHBondContact O-N 2.88Å; F232-L234 PolarHBondContact O-N 3.28Å; L234-T494 HydrophobicContact CB-CG2 4.24Å; L234-W495 HydrophobicContact CD1-CD2 4.32Å; L234-W495 HydrophobicContact CD1-CH2 4.32Å; L234-W495 HydrophobicContact CD1-CZ2 4.1Å; L234-C498 HydrophobicContact CD1-CB 4.32Å |
| 235 | D | 81.9 | Confident | 87.6 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | trans | -149.1 | 73.8 | -175.5 | -170.9 | 5 | 0 | 0 | 0 | 111 | T231 F232 R238 F239 T494 | T231-D235 PolarHBondContact O-N 3.19Å; F232-D235 CarbonylContact O-C 3.54Å; F232-D235 PolarHBondContact O-N 2.78Å; D235-R238 HydrophobicContact CB-CB 4.48Å; D235-R238 WeakPolarHBondContact O-CB 3.33Å; D235-R238 PolarHBondContact O-N 2.82Å; D235-F239 WeakPolarHBondContact O-CD2 3.49Å; D235-T494 HydrophobicContact CB-CG2 4.31Å | ||
| 236 | S | 83.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 45.1 Ų | 45.1 | 42% | 0.42 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -72.8 | -30.4 | -175 | 58.6 | 0 | 0 | 0 | 0 | 113 | F232 R238 F239 | F232-S236 VanDerWaalsContact O-CA 3.24Å; F232-S236 WeakPolarHBondContact O-CA 3.39Å; F232-S236 PolarHBondContact O-N 3.34Å; S236-R238 PolarHBondContact O-N 2.89Å; S236-F239 PolarHBondContact O-N 3.4Å |
| 237 | Q | 80.8 | Confident | 87.4 | Confident | 164 Ų | 164 | 43.5 Ų | 43.5 | 77% | 0.766 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -65.4 | -20.4 | 179.2 | -67.5 | -66.4 | -29.3 | 0 | 0 | 112.7 | F239 | Q237-F239 VanDerWaalsContact C-N 3.3Å; Q237-F239 PolarHBondContact O-N 3.17Å |
| 238 | R | 80.7 | Confident | 87.7 | Confident | 73 Ų | 73 | 41.7 Ų | 41.7 | 28% | 0.275 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -70.4 | -24.2 | 176.9 | 179.7 | 177.3 | 172.3 | -168.7 | -5.5 | 113.5 | D235 S236 S488 T491 | D235-R238 HydrophobicContact CB-CB 4.48Å; D235-R238 WeakPolarHBondContact O-CB 3.33Å; D235-R238 PolarHBondContact O-N 2.82Å; S236-R238 PolarHBondContact O-N 2.89Å; R238-S488 PolarHBondContact NH2-OG 2.77Å; R238-T491 PolarHBondContact NH1-OG1 3.33Å; R238-T491 VanDerWaalsContact NH1-OG1 3.07Å |
| 239 | F | 83.1 | Confident | 87.9 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | trans | -113.7 | 70.8 | -169.6 | -60 | -81.5 | 0 | 0 | 0 | 111.6 | T231 F232 D235 S236 Q237 I247 I486 | T231-F239 HydrophobicContact CG2-CZ 4.48Å; F232-F239 HydrophobicContact CB-CD2 4.43Å; F232-F239 HydrophobicContact CD2-CB 3.98Å; F232-F239 AromaticContact CD2-CD2 3.72Å; F232-F239 HydrophobicContact CD2-CD2 3.72Å; F232-F239 HydrophobicContact CD2-CG 4.14Å; F232-F239 HydrophobicContact CE2-CB 4.16Å; D235-F239 WeakPolarHBondContact O-CD2 3.49Å; S236-F239 PolarHBondContact O-N 3.4Å; Q237-F239 VanDerWaalsContact C-N 3.3Å; Q237-F239 PolarHBondContact O-N 3.17Å; F239-I247 HydrophobicContact CB-CG1 4.4Å; F239-I247 HydrophobicContact CD1-CD1 4.18Å; F239-I247 HydrophobicContact CE1-CD1 4.38Å; F239-I247 HydrophobicContact CG-CD1 4.35Å; F239-I247 HydrophobicContact CG-CG1 4.42Å; F239-I486 HydrophobicContact CE1-CD1 4.08Å; F239-I486 HydrophobicContact CE1-CG1 4.21Å; F239-I486 HydrophobicContact CZ-CD1 3.82Å; F239-I486 HydrophobicContact CZ-CG1 4.24Å; F239-I486 HydrophobicContact CZ-CG2 4.49Å | ||
| 240 | S | 86.1 | Confident | 88.1 | Confident | 47 Ų | 47 | 40.6 Ų | 40.6 | 33% | 0.329 | 21% | 0.205 | S | C | . | . | trans | -76.3 | 164.5 | 173.1 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | E243 R244 | S240-E243 PolarHBondContact O-N 3.37Å; S240-R244 PolarHBondContact O-N 3.01Å | ||
| 241 | Y | 89.8 | Confident | 88.5 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 141.3 | 167.8 | -75.9 | -82.1 | 0 | 0 | 0 | 110.1 | R244 P245 T317 H328 I331 E332 S335 F338 | Y241-R244 HydrophobicContact CD1-CB 4.29Å; Y241-R244 HydrophobicContact CD2-CB 4.47Å; Y241-R244 HydrophobicContact CE1-CB 4.29Å; Y241-R244 HydrophobicContact CE2-CB 4.48Å; Y241-R244 HydrophobicContact CG-CB 4.38Å; Y241-P245 HydrophobicContact CD1-CG 4.32Å; Y241-P245 HydrophobicContact CE1-CG 4.06Å; Y241-T317 HydrophobicContact CD1-CG2 4.3Å; Y241-H328 WeakPolarHBondContact O-CB 3.48Å; Y241-I331 HydrophobicContact CD1-CG2 3.7Å; Y241-I331 HydrophobicContact CE1-CG2 4.49Å; Y241-I331 HydrophobicContact CG-CB 4.49Å; Y241-I331 HydrophobicContact CG-CG2 3.79Å; Y241-E332 HydrophobicContact CD2-CB 3.86Å; Y241-E332 HydrophobicContact CD2-CG 4.12Å; Y241-E332 HydrophobicContact CE2-CB 4.38Å; Y241-E332 HydrophobicContact CE2-CG 4.27Å; Y241-S335 WeakPolarHBondContact OH-CB 2.93Å; Y241-F338 HydrophobicContact CE1-CD2 4.08Å; Y241-F338 HydrophobicContact CE1-CE2 4.42Å |
| 242 | P | 87.5 | Confident | 89 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.6 | 7.4 | 9.1 | 35.5 | -36.1 | 0 | 0 | 0 | 115.7 | P245 A321 I331 I428 | P242-P245 VanDerWaalsContact O-CD 3.28Å; P242-P245 WeakPolarHBondContact O-CD 3.23Å; P242-A321 HydrophobicContact CG-CB 4.13Å; P242-I331 HydrophobicContact CB-CD1 4.46Å; P242-I428 HydrophobicContact CG-CD1 3.79Å |
| 243 | E | 87.1 | Confident | 89.5 | Confident | 39 Ų | 39 | 39.5 Ų | 39.5 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -26.8 | -178.3 | -66.1 | -171.9 | -138.8 | 0 | 0 | 113.5 | S240 I246 L424 I428 W485 | S240-E243 PolarHBondContact O-N 3.37Å; E243-I246 WeakPolarHBondContact O-CB 3.48Å; E243-I246 WeakPolarHBondContact O-CG1 3.41Å; E243-I246 PolarHBondContact O-N 2.74Å; E243-L424 HydrophobicContact CG-CD1 4.06Å; E243-L424 WeakPolarHBondContact OE1-CD1 3.29Å; E243-I428 HydrophobicContact CG-CD1 3.92Å; E243-I428 HydrophobicContact CG-CG1 4.48Å; E243-W485 HydrophobicContact CG-CZ2 4.13Å; E243-W485 PolarHBondContact OE2-NE1 2.84Å |
| 244 | R | 90.6 | Very high | 90 | Very high | 67 Ų | 67 | 35 Ų | 35 | 25% | 0.253 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -51.3 | -38.6 | -174.2 | -161.3 | 172.4 | 176.5 | 169.7 | -2.8 | 115.5 | S240 Y241 I246 I247 F248 E332 | S240-R244 PolarHBondContact O-N 3.01Å; Y241-R244 HydrophobicContact CD1-CB 4.29Å; Y241-R244 HydrophobicContact CD2-CB 4.47Å; Y241-R244 HydrophobicContact CE1-CB 4.29Å; Y241-R244 HydrophobicContact CE2-CB 4.48Å; Y241-R244 HydrophobicContact CG-CB 4.38Å; R244-I246 PolarHBondContact O-N 2.91Å; R244-I247 WeakPolarHBondContact O-CB 3.48Å; R244-I247 PolarHBondContact O-N 3.17Å; R244-F248 HydrophobicContact CG-CE2 3.86Å; R244-E332 IonicContact NH1-OE1 3.66Å; R244-E332 PolarHBondContact NH1-OE1 3.21Å; R244-E332 VanDerWaalsContact NH1-OE1 3.14Å |
| 245 | P | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.3 | -30.3 | 174.8 | -28.4 | 37.8 | 0 | 0 | 0 | 114.9 | Y241 P242 I247 F248 L249 W310 I313 L314 | Y241-P245 HydrophobicContact CD1-CG 4.32Å; Y241-P245 HydrophobicContact CE1-CG 4.06Å; P242-P245 VanDerWaalsContact O-CD 3.28Å; P242-P245 WeakPolarHBondContact O-CD 3.23Å; P245-I247 PolarHBondContact O-N 3.47Å; P245-F248 PolarHBondContact O-N 3.23Å; P245-L249 WeakPolarHBondContact O-CB 3.41Å; P245-L249 PolarHBondContact O-N 3.49Å; P245-W310 HydrophobicContact CB-CE3 4.04Å; P245-I313 HydrophobicContact CB-CG2 4.4Å; P245-I313 HydrophobicContact CG-CG2 4.02Å; P245-L314 HydrophobicContact CB-CB 3.99Å; P245-L314 HydrophobicContact CB-CD1 4.23Å |
| 246 | I | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -34.6 | 177.5 | -60 | 174.7 | 0 | 0 | 0 | 110.8 | E243 R244 S250 L314 F431 W485 | E243-I246 WeakPolarHBondContact O-CB 3.48Å; E243-I246 WeakPolarHBondContact O-CG1 3.41Å; E243-I246 PolarHBondContact O-N 2.74Å; R244-I246 PolarHBondContact O-N 2.91Å; I246-S250 WeakPolarHBondContact O-CB 3.37Å; I246-S250 PolarHBondContact O-N 2.7Å; I246-L314 HydrophobicContact CD1-CD1 4.22Å; I246-L314 HydrophobicContact CD1-CD2 4.41Å; I246-L314 HydrophobicContact CG1-CD1 3.76Å; I246-L314 HydrophobicContact CG1-CD2 3.78Å; I246-L314 HydrophobicContact CG1-CG 4.42Å; I246-F431 HydrophobicContact CD1-CD1 4.07Å; I246-F431 HydrophobicContact CD1-CE1 4.19Å; I246-F431 HydrophobicContact CG1-CD1 4.33Å; I246-F431 HydrophobicContact CG1-CE1 4.04Å; I246-F431 HydrophobicContact CG2-CE1 4.2Å; I246-F431 HydrophobicContact CG2-CZ 4.2Å; I246-W485 HydrophobicContact CD1-CD2 3.75Å; I246-W485 HydrophobicContact CD1-CE3 4.15Å; I246-W485 HydrophobicContact CD1-CG 4.14Å; I246-W485 HydrophobicContact CD1-CH2 4.34Å; I246-W485 HydrophobicContact CD1-CZ2 3.98Å; I246-W485 HydrophobicContact CD1-CZ3 4.4Å; I246-W485 HydrophobicContact CG2-CB 4.37Å; I246-W485 HydrophobicContact CG2-CG 4.26Å |
| 247 | I | 92.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.7 | -44.8 | 179.3 | -53.6 | -54.7 | 0 | 0 | 0 | 110.9 | T228 F232 F239 R244 P245 L249 S250 M251 I486 | T228-I247 HydrophobicContact CG2-CD1 4.3Å; F232-I247 HydrophobicContact CB-CD1 4.24Å; F232-I247 HydrophobicContact CB-CG1 4.39Å; F232-I247 HydrophobicContact CB-CG2 3.7Å; F232-I247 HydrophobicContact CD1-CG2 3.74Å; F232-I247 HydrophobicContact CD2-CB 4.39Å; F232-I247 HydrophobicContact CD2-CD1 4.49Å; F232-I247 HydrophobicContact CD2-CG1 3.9Å; F232-I247 HydrophobicContact CD2-CG2 3.9Å; F232-I247 HydrophobicContact CE1-CG2 4.33Å; F232-I247 HydrophobicContact CE2-CG2 4.48Å; F232-I247 HydrophobicContact CG-CB 4.44Å; F232-I247 HydrophobicContact CG-CG1 4.26Å; F232-I247 HydrophobicContact CG-CG2 3.49Å; F232-I247 VanDerWaalsContact CG-CG2 3.49Å; F239-I247 HydrophobicContact CB-CG1 4.4Å; F239-I247 HydrophobicContact CD1-CD1 4.18Å; F239-I247 HydrophobicContact CE1-CD1 4.38Å; F239-I247 HydrophobicContact CG-CD1 4.35Å; F239-I247 HydrophobicContact CG-CG1 4.42Å; R244-I247 WeakPolarHBondContact O-CB 3.48Å; R244-I247 PolarHBondContact O-N 3.17Å; P245-I247 PolarHBondContact O-N 3.47Å; I247-L249 VanDerWaalsContact C-N 3.33Å; I247-S250 WeakPolarHBondContact O-CB 3.39Å; I247-S250 PolarHBondContact O-N 3.08Å; I247-M251 PolarHBondContact O-N 2.95Å; I247-I486 HydrophobicContact CD1-CD1 3.77Å |
| 248 | F | 95.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 10% | 0.101 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.2 | -36.4 | 177.6 | -63.9 | -59.1 | 0 | 0 | 0 | 112.1 | R244 P245 M251 C252 W310 H339 | R244-F248 HydrophobicContact CG-CE2 3.86Å; P245-F248 PolarHBondContact O-N 3.23Å; F248-M251 WeakPolarHBondContact O-CB 3.17Å; F248-M251 PolarHBondContact O-N 3Å; F248-C252 PolarHBondContact O-N 3.29Å; F248-C252 PolarHBondContact O-SG 2.96Å; F248-W310 HydrophobicContact CB-CD2 3.52Å; F248-W310 VanDerWaalsContact CB-CE2 3.42Å; F248-W310 HydrophobicContact CB-CE3 4.01Å; F248-W310 HydrophobicContact CB-CG 3.87Å; F248-W310 HydrophobicContact CB-CH2 4.33Å; F248-W310 HydrophobicContact CB-CZ2 3.86Å; F248-W310 HydrophobicContact CB-CZ3 4.39Å; F248-W310 HydrophobicContact CD1-CZ2 4.47Å; F248-W310 HydrophobicContact CD2-CD2 4.37Å; F248-W310 HydrophobicContact CD2-CE3 4.1Å; F248-W310 AromaticContact CD2-CH2 3.56Å; F248-W310 HydrophobicContact CD2-CH2 3.56Å; F248-W310 AromaticContact CD2-CZ2 3.85Å; F248-W310 HydrophobicContact CD2-CZ2 3.85Å; F248-W310 AromaticContact CD2-CZ3 3.69Å; F248-W310 HydrophobicContact CD2-CZ3 3.69Å; F248-W310 HydrophobicContact CE2-CH2 4.08Å; F248-W310 HydrophobicContact CE2-CZ3 4.41Å; F248-W310 HydrophobicContact CG-CD2 4.28Å; F248-W310 AromaticContact CG-CE2 3.93Å; F248-W310 HydrophobicContact CG-CE3 4.45Å; F248-W310 HydrophobicContact CG-CH2 4.04Å; F248-W310 AromaticContact CG-CZ2 3.82Å; F248-W310 HydrophobicContact CG-CZ2 3.82Å; F248-W310 HydrophobicContact CG-CZ3 4.34Å; F248-H339 AromaticContact CD2-CE1 3.98Å; F248-H339 AromaticContact CE1-CE1 3.84Å; F248-H339 AromaticContact CE2-CE1 3.38Å; F248-H339 WeakPolarHBondContact CE2-CE1 3.47Å; F248-H339 AromaticContact CE2-NE2 3.69Å; F248-H339 AromaticContact CZ-CE1 3.32Å; F248-H339 WeakPolarHBondContact CZ-CE1 3.44Å; F248-H339 AromaticContact CZ-NE2 3.77Å |
| 249 | L | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 169.9 | -176.3 | 155.4 | 0 | 0 | 0 | 111.1 | P245 I247 M251 C252 C253 W310 W311 Y435 V478 | P245-L249 WeakPolarHBondContact O-CB 3.41Å; P245-L249 PolarHBondContact O-N 3.49Å; I247-L249 VanDerWaalsContact C-N 3.33Å; L249-M251 VanDerWaalsContact C-N 3.34Å; L249-M251 PolarHBondContact O-N 2.86Å; L249-C252 WeakPolarHBondContact O-CB 3.49Å; L249-C252 PolarHBondContact O-N 3.33Å; L249-C253 PolarHBondContact O-N 3.45Å; L249-C253 PolarHBondContact O-SG 2.92Å; L249-C253 VanDerWaalsContact O-SG 3.39Å; L249-W310 HydrophobicContact CB-CB 4.07Å; L249-W311 HydrophobicContact CD1-CB 3.9Å; L249-Y435 HydrophobicContact CD1-CD2 4.13Å; L249-Y435 HydrophobicContact CD1-CE2 3.73Å; L249-Y435 HydrophobicContact CD2-CE2 4.44Å; L249-Y435 HydrophobicContact CG-CE2 4.4Å; L249-V478 HydrophobicContact CD2-CG1 4.02Å |
| 250 | S | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 177 | -158.6 | 0 | 0 | 0 | 0 | 112.5 | T225 T228 I246 I247 C253 N254 S482 | T225-S250 WeakPolarHBondContact CA-OG 3.26Å; T228-S250 WeakPolarHBondContact CB-OG 3.44Å; T228-S250 WeakPolarHBondContact CG2-OG 3.35Å; I246-S250 WeakPolarHBondContact O-CB 3.37Å; I246-S250 PolarHBondContact O-N 2.7Å; I247-S250 WeakPolarHBondContact O-CB 3.39Å; I247-S250 PolarHBondContact O-N 3.08Å; S250-C253 PolarHBondContact O-N 3.32Å; S250-N254 WeakPolarHBondContact O-CB 3.4Å; S250-N254 PolarHBondContact O-N 2.88Å; S250-S482 PolarHBondContact OG-OG 3.11Å; S250-S482 VanDerWaalsContact OG-OG 3.04Å |
| 251 | M | 95.9 | Very high | 95 | Very high | 70 Ų | 70 | 19.8 Ų | 19.8 | 35% | 0.345 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 172.8 | 178.7 | -176 | -74.5 | 0 | 0 | 111.7 | V229 I247 F248 L249 N254 L255 | V229-M251 HydrophobicContact CG2-CB 4.15Å; I247-M251 PolarHBondContact O-N 2.95Å; F248-M251 WeakPolarHBondContact O-CB 3.17Å; F248-M251 PolarHBondContact O-N 3Å; L249-M251 VanDerWaalsContact C-N 3.34Å; L249-M251 PolarHBondContact O-N 2.86Å; M251-N254 WeakPolarHBondContact O-CB 3.38Å; M251-N254 PolarHBondContact O-N 2.98Å; M251-L255 PolarHBondContact O-N 2.87Å |
| 252 | C | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 175.4 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | F248 L249 N254 L255 Y256 F303 W343 | F248-C252 PolarHBondContact O-N 3.29Å; F248-C252 PolarHBondContact O-SG 2.96Å; L249-C252 WeakPolarHBondContact O-CB 3.49Å; L249-C252 PolarHBondContact O-N 3.33Å; C252-N254 VanDerWaalsContact C-N 3.26Å; C252-N254 PolarHBondContact O-N 2.91Å; C252-L255 PolarHBondContact O-N 3.33Å; C252-Y256 VanDerWaalsContact O-CB 3.31Å; C252-Y256 WeakPolarHBondContact O-CB 3.47Å; C252-Y256 PolarHBondContact O-N 3.2Å; C252-F303 HydrophobicContact CB-CB 4.34Å; C252-F303 WeakPolarHBondContact CB-O 3.4Å; C252-F303 WeakPolarHBondContact O-CB 3.44Å; C252-W343 VanDerWaalsContact SG-CH2 3.52Å |
| 253 | C | 97.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.6 | -32.2 | 177.4 | -69.7 | 0 | 0 | 0 | 0 | 113 | T225 L249 S250 S257 S307 | T225-C253 HydrophobicContact CG2-CB 3.87Å; L249-C253 PolarHBondContact O-N 3.45Å; L249-C253 PolarHBondContact O-SG 2.92Å; L249-C253 VanDerWaalsContact O-SG 3.39Å; S250-C253 PolarHBondContact O-N 3.32Å; C253-S257 WeakPolarHBondContact O-CB 3.48Å; C253-S257 PolarHBondContact O-N 2.93Å; C253-S307 PolarHBondContact SG-OG 2.88Å |
| 254 | N | 97.3 | Very high | 96.2 | Very high | 25 Ų | 25 | 20.6 Ų | 20.6 | 13% | 0.134 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.3 | -54.6 | 173.8 | -172.3 | -101.1 | 0 | 0 | 0 | 111 | F222 T225 T226 S250 M251 C252 Y256 S257 V258 | F222-N254 WeakPolarHBondContact CD2-ND2 3.3Å; F222-N254 PolarHBondContact O-ND2 2.93Å; T225-N254 WeakPolarHBondContact OG1-CA 3.24Å; T225-N254 WeakPolarHBondContact OG1-CB 3.16Å; T225-N254 PolarHBondContact OG1-ND2 3.34Å; T226-N254 PolarHBondContact N-ND2 3.45Å; T226-N254 PolarHBondContact OG1-ND2 3.49Å; S250-N254 WeakPolarHBondContact O-CB 3.4Å; S250-N254 PolarHBondContact O-N 2.88Å; M251-N254 WeakPolarHBondContact O-CB 3.38Å; M251-N254 PolarHBondContact O-N 2.98Å; C252-N254 VanDerWaalsContact C-N 3.26Å; C252-N254 PolarHBondContact O-N 2.91Å; N254-Y256 VanDerWaalsContact C-N 3.31Å; N254-Y256 PolarHBondContact O-N 3.42Å; N254-S257 PolarHBondContact O-N 3.04Å; N254-S257 VanDerWaalsContact O-N 3.11Å; N254-S257 PolarHBondContact O-OG 3.39Å; N254-V258 WeakPolarHBondContact O-CG2 3.23Å; N254-V258 PolarHBondContact O-N 3.21Å |
| 255 | L | 97.9 | Very high | 96.4 | Very high | 56 Ų | 56 | 22.6 Ų | 22.6 | 29% | 0.293 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67.2 | -32.5 | 180 | -67.5 | 170.3 | 0 | 0 | 0 | 112.5 | M251 C252 V258 A259 F303 | M251-L255 PolarHBondContact O-N 2.87Å; C252-L255 PolarHBondContact O-N 3.33Å; L255-V258 WeakPolarHBondContact O-CB 3.47Å; L255-V258 PolarHBondContact O-N 2.03Å; L255-A259 PolarHBondContact O-N 3.5Å; L255-F303 HydrophobicContact CB-CB 4.41Å; L255-F303 HydrophobicContact CB-CD1 4.01Å; L255-F303 HydrophobicContact CB-CD2 3.59Å; L255-F303 HydrophobicContact CB-CE1 4.2Å; L255-F303 HydrophobicContact CB-CE2 3.82Å; L255-F303 HydrophobicContact CB-CG 3.72Å; L255-F303 HydrophobicContact CB-CZ 4.13Å; L255-F303 HydrophobicContact CD1-CD1 3.87Å; L255-F303 HydrophobicContact CD1-CD2 4.38Å; L255-F303 HydrophobicContact CD1-CE1 3.3Å; L255-F303 HydrophobicContact CD1-CE2 3.9Å; L255-F303 HydrophobicContact CD1-CG 4.39Å; L255-F303 HydrophobicContact CD1-CZ 3.34Å; L255-F303 HydrophobicContact CG-CE1 4.37Å; L255-F303 HydrophobicContact CG-CE2 4.41Å; L255-F303 HydrophobicContact CG-CZ 4.3Å |
| 256 | Y | 98.2 | Very high | 96.3 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 10% | 0.098 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 169.9 | -173.6 | -94.3 | 0 | 0 | 0 | 111.7 | C252 N254 V258 A259 Y260 L300 L476 | C252-Y256 VanDerWaalsContact O-CB 3.31Å; C252-Y256 WeakPolarHBondContact O-CB 3.47Å; C252-Y256 PolarHBondContact O-N 3.2Å; N254-Y256 VanDerWaalsContact C-N 3.31Å; N254-Y256 PolarHBondContact O-N 3.42Å; Y256-V258 VanDerWaalsContact C-N 3.31Å; Y256-V258 PolarHBondContact O-N 2.58Å; Y256-A259 VanDerWaalsContact O-CB 3.27Å; Y256-A259 WeakPolarHBondContact O-CB 3.24Å; Y256-A259 PolarHBondContact O-N 3.4Å; Y256-Y260 AromaticContact CD1-CE2 3.84Å; Y256-Y260 HydrophobicContact CD1-CE2 3.84Å; Y256-Y260 AromaticContact CE1-CE2 3.45Å; Y256-Y260 HydrophobicContact CE1-CE2 3.45Å; Y256-Y260 VanDerWaalsContact CE1-CE2 3.45Å; Y256-Y260 AromaticContact CE1-CZ 3.91Å; Y256-Y260 WeakPolarHBondContact CE1-OH 3.47Å; Y256-Y260 WeakPolarHBondContact O-CD2 3.36Å; Y256-Y260 PolarHBondContact OH-OH 3.01Å; Y256-L300 HydrophobicContact CD2-CD2 4.03Å; Y256-L300 VanDerWaalsContact CD2-O 3.24Å; Y256-L300 WeakPolarHBondContact CD2-O 3.43Å; Y256-L300 HydrophobicContact CE1-CD2 4.24Å; Y256-L300 HydrophobicContact CE2-CB 4.14Å; Y256-L300 HydrophobicContact CE2-CD2 3.63Å; Y256-L300 VanDerWaalsContact CE2-O 3.23Å; Y256-L300 WeakPolarHBondContact CE2-O 3.41Å; Y256-L300 HydrophobicContact CG-CD2 4.48Å; Y256-L476 HydrophobicContact CD1-CD2 4.09Å; Y256-L476 HydrophobicContact CE1-CD2 4.28Å |
| 257 | S | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.8 | -32.4 | 176.5 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | F222 C253 N254 A259 Y260 L261 | F222-S257 WeakPolarHBondContact CA-OG 3.26Å; F222-S257 WeakPolarHBondContact CB-OG 3.15Å; C253-S257 WeakPolarHBondContact O-CB 3.48Å; C253-S257 PolarHBondContact O-N 2.93Å; N254-S257 PolarHBondContact O-N 3.04Å; N254-S257 VanDerWaalsContact O-N 3.11Å; N254-S257 PolarHBondContact O-OG 3.39Å; S257-A259 PolarHBondContact O-N 3.47Å; S257-Y260 PolarHBondContact O-N 2.99Å; S257-L261 PolarHBondContact O-N 3.31Å |
| 258 | V | 98.3 | Very high | 96.3 | Very high | 36 Ų | 36 | 26.6 Ų | 26.6 | 22% | 0.218 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -32.6 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | F222 N254 L255 Y256 Y260 L261 V262 L299 | F222-V258 HydrophobicContact CD2-CG2 3.7Å; F222-V258 HydrophobicContact CE2-CG2 3.53Å; N254-V258 WeakPolarHBondContact O-CG2 3.23Å; N254-V258 PolarHBondContact O-N 3.21Å; L255-V258 WeakPolarHBondContact O-CB 3.47Å; L255-V258 PolarHBondContact O-N 2.03Å; Y256-V258 VanDerWaalsContact C-N 3.31Å; Y256-V258 PolarHBondContact O-N 2.58Å; V258-Y260 VanDerWaalsContact C-N 3.3Å; V258-Y260 PolarHBondContact O-N 3.4Å; V258-L261 CarbonylContact O-C 3.58Å; V258-L261 PolarHBondContact O-N 2.9Å; V258-L261 VanDerWaalsContact O-N 3.1Å; V258-V262 HydrophobicContact CG1-CG2 3.79Å; V258-V262 WeakPolarHBondContact O-CB 3.49Å; V258-V262 WeakPolarHBondContact O-CG2 3.43Å; V258-V262 PolarHBondContact O-N 3.24Å; V258-L299 HydrophobicContact CG1-CD1 4.23Å |
| 259 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.6 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L255 Y256 S257 V262 R263 L299 L300 | L255-A259 PolarHBondContact O-N 3.5Å; Y256-A259 VanDerWaalsContact O-CB 3.27Å; Y256-A259 WeakPolarHBondContact O-CB 3.24Å; Y256-A259 PolarHBondContact O-N 3.4Å; S257-A259 PolarHBondContact O-N 3.47Å; A259-V262 PolarHBondContact O-N 2.88Å; A259-R263 PolarHBondContact O-N 3.49Å; A259-L299 HydrophobicContact CB-CB 3.49Å; A259-L299 VanDerWaalsContact CB-CB 3.49Å; A259-L299 HydrophobicContact CB-CD1 4.19Å; A259-L300 HydrophobicContact CB-CD2 3.55Å; A259-L300 HydrophobicContact CB-CG 3.58Å |
| 260 | Y | 98.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 176.6 | -62 | -91.7 | 0 | 0 | 0 | 111.2 | M214 A218 Y256 S257 V258 R263 L264 L300 L367 I472 L476 | M214-Y260 HydrophobicContact CB-CD1 4.13Å; M214-Y260 HydrophobicContact CG-CD1 3.96Å; M214-Y260 HydrophobicContact CG-CE1 4.33Å; M214-Y260 HydrophobicContact SD-CD1 3.77Å; M214-Y260 HydrophobicContact SD-CE1 4.15Å; A218-Y260 HydrophobicContact CB-CG 4.29Å; Y256-Y260 AromaticContact CD1-CE2 3.84Å; Y256-Y260 HydrophobicContact CD1-CE2 3.84Å; Y256-Y260 AromaticContact CE1-CE2 3.45Å; Y256-Y260 HydrophobicContact CE1-CE2 3.45Å; Y256-Y260 VanDerWaalsContact CE1-CE2 3.45Å; Y256-Y260 AromaticContact CE1-CZ 3.91Å; Y256-Y260 WeakPolarHBondContact CE1-OH 3.47Å; Y256-Y260 WeakPolarHBondContact O-CD2 3.36Å; Y256-Y260 PolarHBondContact OH-OH 3.01Å; S257-Y260 PolarHBondContact O-N 2.99Å; V258-Y260 VanDerWaalsContact C-N 3.3Å; V258-Y260 PolarHBondContact O-N 3.4Å; Y260-R263 PolarHBondContact O-N 2.97Å; Y260-L264 WeakPolarHBondContact O-CB 3.4Å; Y260-L264 WeakPolarHBondContact O-CD1 3.31Å; Y260-L264 WeakPolarHBondContact O-CG 3.46Å; Y260-L264 PolarHBondContact O-N 3.23Å; Y260-L300 HydrophobicContact CD2-CD2 4.11Å; Y260-L300 HydrophobicContact CE2-CD2 3.49Å; Y260-L300 VanDerWaalsContact CE2-CD2 3.49Å; Y260-L367 HydrophobicContact CD1-CD1 3.86Å; Y260-L367 HydrophobicContact CD1-CD2 4.34Å; Y260-L367 HydrophobicContact CE1-CD1 3.53Å; Y260-I472 HydrophobicContact CE1-CD1 4.48Å; Y260-I472 HydrophobicContact CE1-CG1 4.29Å; Y260-I472 HydrophobicContact CE1-CG2 3.88Å; Y260-L476 HydrophobicContact CD2-CD2 4.21Å; Y260-L476 HydrophobicContact CE2-CD1 4.44Å; Y260-L476 HydrophobicContact CE2-CD2 3.98Å; Y260-L476 HydrophobicContact CE2-CG 4.42Å |
| 261 | L | 97.9 | Very high | 95.7 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 22% | 0.22 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 177.7 | -59.6 | 179.2 | 0 | 0 | 0 | 112 | A218 V219 F222 S257 V258 L264 T265 | A218-L261 HydrophobicContact CB-CD2 4.04Å; A218-L261 HydrophobicContact CB-CG 4.33Å; V219-L261 HydrophobicContact CG2-CD2 3.9Å; F222-L261 HydrophobicContact CB-CD1 4.25Å; F222-L261 HydrophobicContact CD2-CD1 4.32Å; F222-L261 HydrophobicContact CG-CD1 4.12Å; S257-L261 PolarHBondContact O-N 3.31Å; V258-L261 CarbonylContact O-C 3.58Å; V258-L261 PolarHBondContact O-N 2.9Å; V258-L261 VanDerWaalsContact O-N 3.1Å; L261-L264 PolarHBondContact O-N 3.47Å; L261-T265 WeakPolarHBondContact O-CB 3.14Å; L261-T265 VanDerWaalsContact O-CG2 3.3Å; L261-T265 WeakPolarHBondContact O-CG2 3.01Å; L261-T265 PolarHBondContact O-N 3.49Å; L261-T265 PolarHBondContact O-OG1 3.47Å |
| 262 | V | 96.5 | Very high | 95.5 | Very high | 30 Ų | 30 | 32.6 Ų | 32.6 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 174.3 | 168.1 | 0 | 0 | 0 | 0 | 109.8 | V258 A259 L264 T265 L266 I295 V296 L299 | V258-V262 HydrophobicContact CG1-CG2 3.79Å; V258-V262 WeakPolarHBondContact O-CB 3.49Å; V258-V262 WeakPolarHBondContact O-CG2 3.43Å; V258-V262 PolarHBondContact O-N 3.24Å; A259-V262 PolarHBondContact O-N 2.88Å; V262-L264 VanDerWaalsContact C-N 3.32Å; V262-L264 PolarHBondContact O-N 3.02Å; V262-T265 PolarHBondContact O-N 2.82Å; V262-T265 PolarHBondContact O-OG1 2.74Å; V262-L266 HydrophobicContact CG1-CD1 3.59Å; V262-L266 HydrophobicContact CG1-CG 4.18Å; V262-L266 VanDerWaalsContact O-CB 3.25Å; V262-L266 WeakPolarHBondContact O-CB 3.02Å; V262-L266 WeakPolarHBondContact O-CG 3.15Å; V262-L266 PolarHBondContact O-N 3.16Å; V262-I295 HydrophobicContact CG1-CG2 4.26Å; V262-V296 HydrophobicContact CG1-CG2 4.25Å; V262-L299 HydrophobicContact CG2-CD1 4.22Å |
| 263 | R | 96.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 173.5 | -170.6 | -96.2 | 76.1 | 165.9 | -4.3 | 110.3 | D211 A259 Y260 T265 G267 V271 V296 G366 L367 | D211-R263 IonicContact OD1-CZ 2.72Å; D211-R263 IonicContact OD1-NH1 3.07Å; D211-R263 PolarHBondContact OD1-NH1 3.39Å; D211-R263 IonicContact OD2-CZ 2.84Å; D211-R263 IonicContact OD2-NH1 2.82Å; D211-R263 PolarHBondContact OD2-NH1 3.31Å; D211-R263 IonicContact OD2-NH2 3.83Å; A259-R263 PolarHBondContact O-N 3.49Å; Y260-R263 PolarHBondContact O-N 2.97Å; R263-T265 PolarHBondContact O-N 2.97Å; R263-G267 PolarHBondContact O-N 3.23Å; R263-V271 HydrophobicContact CG-CB 4.44Å; R263-V271 HydrophobicContact CG-CG1 4.11Å; R263-V296 HydrophobicContact CB-CG2 4.23Å; R263-G366 WeakPolarHBondContact CG-O 3.5Å; R263-L367 HydrophobicContact CB-CD2 3.73Å; R263-L367 HydrophobicContact CG-CD2 3.8Å |
| 264 | L | 96.5 | Very high | 94.7 | Very high | 44 Ų | 44 | 33.6 Ų | 33.6 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | -175.7 | -73.4 | 163.8 | 0 | 0 | 0 | 112.5 | D211 A215 Y260 L261 V262 | D211-L264 HydrophobicContact CB-CD2 4.01Å; A215-L264 HydrophobicContact CB-CD1 3.66Å; Y260-L264 WeakPolarHBondContact O-CB 3.4Å; Y260-L264 WeakPolarHBondContact O-CD1 3.31Å; Y260-L264 WeakPolarHBondContact O-CG 3.46Å; Y260-L264 PolarHBondContact O-N 3.23Å; L261-L264 PolarHBondContact O-N 3.47Å; V262-L264 VanDerWaalsContact C-N 3.32Å; V262-L264 PolarHBondContact O-N 3.02Å |
| 265 | T | 94.8 | Very high | 93.8 | Very high | 109 Ų | 109 | 37.4 Ų | 37.4 | 67% | 0.669 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -78.5 | -39 | -178.1 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | L261 V262 R263 G267 | L261-T265 WeakPolarHBondContact O-CB 3.14Å; L261-T265 VanDerWaalsContact O-CG2 3.3Å; L261-T265 WeakPolarHBondContact O-CG2 3.01Å; L261-T265 PolarHBondContact O-N 3.49Å; L261-T265 PolarHBondContact O-OG1 3.47Å; V262-T265 PolarHBondContact O-N 2.82Å; V262-T265 PolarHBondContact O-OG1 2.74Å; R263-T265 PolarHBondContact O-N 2.97Å; T265-G267 VanDerWaalsContact C-N 3.25Å; T265-G267 PolarHBondContact O-N 3.27Å |
| 266 | L | 92.8 | Very high | 92.3 | Very high | 59 Ų | 59 | 42 Ų | 42 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.1 | -23.9 | 174.6 | -67 | -179.2 | 0 | 0 | 0 | 111.8 | V262 R270 V271 | V262-L266 HydrophobicContact CG1-CD1 3.59Å; V262-L266 HydrophobicContact CG1-CG 4.18Å; V262-L266 VanDerWaalsContact O-CB 3.25Å; V262-L266 WeakPolarHBondContact O-CB 3.02Å; V262-L266 WeakPolarHBondContact O-CG 3.15Å; V262-L266 PolarHBondContact O-N 3.16Å; L266-R270 VanDerWaalsContact C-NH2 3.35Å; L266-R270 VanDerWaalsContact CA-NH2 3.29Å; L266-R270 PolarHBondContact O-NE 3.48Å; L266-R270 PolarHBondContact O-NH2 3.07Å; L266-V271 HydrophobicContact CB-CG2 3.85Å; L266-V271 HydrophobicContact CD1-CG2 4.33Å |
| 267 | G | 91.6 | Very high | 90.4 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | trans | 85.1 | 148.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R263 T265 V269 R270 V271 | R263-G267 PolarHBondContact O-N 3.23Å; T265-G267 VanDerWaalsContact C-N 3.25Å; T265-G267 PolarHBondContact O-N 3.27Å; G267-V269 PolarHBondContact O-N 3.49Å; G267-R270 PolarHBondContact O-N 2.88Å; G267-V271 PolarHBondContact O-N 3.13Å | ||
| 268 | R | 92.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -46.6 | -173.6 | 178.4 | 177.1 | -69.5 | -94.2 | 1.5 | 112.9 | Y197 D211 R270 V271 S272 D363 L364 T365 | Y197-R268 HydrophobicContact CE2-CB 4.06Å; D211-R268 IonicContact OD1-CZ 3.01Å; D211-R268 IonicContact OD1-NH2 3.02Å; D211-R268 PolarHBondContact OD1-NH2 3.4Å; R268-R270 PolarHBondContact O-N 2.97Å; R268-V271 PolarHBondContact O-N 2.98Å; R268-S272 WeakPolarHBondContact CG-OG 3.42Å; R268-S272 PolarHBondContact O-N 2.68Å; R268-S272 PolarHBondContact O-OG 3.43Å; R268-D363 PolarHBondContact NH1-O 2.8Å; R268-L364 PolarHBondContact NH1-O 3.35Å; R268-L364 PolarHBondContact NH2-O 2.72Å; R268-T365 PolarHBondContact NH2-O 2.81Å |
| 269 | V | 90.4 | Very high | 87.1 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | -173 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | G267 V271 C273 L275 | G267-V269 PolarHBondContact O-N 3.49Å; V269-V271 VanDerWaalsContact C-N 3.28Å; V269-V271 PolarHBondContact O-N 3.37Å; V269-C273 VanDerWaalsContact CA-SG 3.58Å; V269-C273 HydrophobicContact CG1-CB 4.11Å; V269-C273 WeakPolarHBondContact O-CA 3.43Å; V269-C273 WeakPolarHBondContact O-CB 3.42Å; V269-C273 PolarHBondContact O-N 3.27Å; V269-L275 HydrophobicContact CG1-CD1 4.34Å |
| 270 | R | 90.1 | Very high | 86 | Confident | 157 Ų | 157 | 48.4 Ų | 48.4 | 59% | 0.592 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69 | -24.9 | -179.7 | -67.3 | -168.3 | -64.5 | -173.7 | -6.5 | 114.1 | L266 G267 R268 S290 | L266-R270 VanDerWaalsContact C-NH2 3.35Å; L266-R270 VanDerWaalsContact CA-NH2 3.29Å; L266-R270 PolarHBondContact O-NE 3.48Å; L266-R270 PolarHBondContact O-NH2 3.07Å; G267-R270 PolarHBondContact O-N 2.88Å; R268-R270 PolarHBondContact O-N 2.97Å; R270-S290 PolarHBondContact O-OG 2.93Å |
| 271 | V | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -93.7 | -45.1 | -176.1 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | R263 L266 G267 R268 V269 C293 V296 | R263-V271 HydrophobicContact CG-CB 4.44Å; R263-V271 HydrophobicContact CG-CG1 4.11Å; L266-V271 HydrophobicContact CB-CG2 3.85Å; L266-V271 HydrophobicContact CD1-CG2 4.33Å; G267-V271 PolarHBondContact O-N 3.13Å; R268-V271 PolarHBondContact O-N 2.98Å; V269-V271 VanDerWaalsContact C-N 3.28Å; V269-V271 PolarHBondContact O-N 3.37Å; V271-C293 WeakPolarHBondContact O-CA 3.25Å; V271-C293 VanDerWaalsContact O-CB 3.24Å; V271-C293 WeakPolarHBondContact O-CB 3.39Å; V271-C293 PolarHBondContact O-N 3.41Å; V271-V296 HydrophobicContact CG1-CB 4.28Å; V271-V296 HydrophobicContact CG1-CG2 3.76Å |
| 272 | S | 92.4 | Very high | 84.9 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -106.1 | -13.8 | -169.9 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | C195 R268 V284 | C195-S272 PolarHBondContact SG-O 2.71Å; R268-S272 WeakPolarHBondContact CG-OG 3.42Å; R268-S272 PolarHBondContact O-N 2.68Å; R268-S272 PolarHBondContact O-OG 3.43Å; S272-V284 WeakPolarHBondContact O-CG2 3.44Å; S272-V284 PolarHBondContact O-N 3.3Å |
| 273 | C | 90.6 | Very high | 84.6 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139.7 | -179.9 | -44.4 | 0 | 0 | 0 | 0 | 112 | C195 V269 P281 I282 | C195-C273 VanDerWaalsContact C-SG 3.54Å; C195-C273 HydrophobicContact CB-CB 3.63Å; C195-C273 WeakPolarHBondContact CB-SG 3.32Å; C195-C273 WeakPolarHBondContact SG-CA 3.39Å; C195-C273 WeakPolarHBondContact SG-CB 3.37Å; C195-C273 PolarHBondContact SG-N 3.08Å; C195-C273 VanDerWaalsContact SG-N 3.44Å; C195-C273 CovalentContact SG-SG 2.02Å; C195-C273 PolarHBondContact SG-SG 3.42Å; V269-C273 VanDerWaalsContact CA-SG 3.58Å; V269-C273 HydrophobicContact CG1-CB 4.11Å; V269-C273 WeakPolarHBondContact O-CA 3.43Å; V269-C273 WeakPolarHBondContact O-CB 3.42Å; V269-C273 PolarHBondContact O-N 3.27Å; C273-P281 HydrophobicContact CB-CB 3.99Å; C273-I282 CarbonylContact C-O 3.6Å; C273-I282 VanDerWaalsContact CA-O 3.22Å; C273-I282 WeakPolarHBondContact CA-O 3.29Å |
| 274 | D | 87.3 | Confident | 84.3 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.3 | 166.3 | -170.3 | -7.8 | 0 | 0 | 0 | 108.6 | D276 I282 V284 | D274-D276 PolarHBondContact OD1-N 3.47Å; D274-I282 HydrophobicContact CB-CG1 4.06Å; D274-I282 PolarHBondContact N-O 2.98Å; D274-I282 PolarHBondContact O-N 3.41Å; D274-I282 VanDerWaalsContact O-N 3.11Å; D274-V284 HydrophobicContact CB-CG2 4.1Å |
| 275 | L | 78.9 | Confident | 83.9 | Confident | 104 Ų | 104 | 48.1 Ų | 48.1 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | trans | -105.2 | -12.8 | -178.9 | -73.3 | 144.8 | 0 | 0 | 0 | 111.9 | V269 P281 | V269-L275 HydrophobicContact CG1-CD1 4.34Å; L275-P281 HydrophobicContact CD2-CB 4.3Å | ||
| 276 | D | 66.2 | Low | 83.3 | Confident | 153 Ų | 153 | 44.9 Ų | 44.9 | 82% | 0.818 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -88.5 | -15.7 | -170.8 | -67.5 | -21.5 | 0 | 0 | 0 | 112.1 | D274 | D274-D276 PolarHBondContact OD1-N 3.47Š|
| 277 | A | 58.8 | Low | 82.6 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -86.5 | -33.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L185 I282 | L185-A277 HydrophobicContact CD1-CB 4.02Å; A277-I282 HydrophobicContact CB-CD1 3.68Å; A277-I282 HydrophobicContact CB-CG1 4.44Å |
| 278 | T | 60.7 | Low | 82 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -152.4 | 168.1 | -179.3 | 76 | 0 | 0 | 0 | 0 | 112 | L185 V280 | L185-T278 HydrophobicContact CD1-CG2 3.68Å; T278-V280 PolarHBondContact O-N 3.03Å; T278-V280 VanDerWaalsContact O-N 3.1Å; T278-V280 PolarHBondContact OG1-N 3.24Å; T278-V280 PolarHBondContact OG1-O 2.98Å |
| 279 | A | 66.3 | Low | 81.4 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 76% | 0.76 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -65.4 | -7.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 280 | V | 74.1 | Confident | 81.3 | Confident | 43 Ų | 43 | 48.3 Ų | 48.3 | 26% | 0.261 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -116.8 | 136.4 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | Q194 T278 I282 | Q194-V280 HydrophobicContact CG-CG1 3.79Å; T278-V280 PolarHBondContact O-N 3.03Å; T278-V280 VanDerWaalsContact O-N 3.1Å; T278-V280 PolarHBondContact OG1-N 3.24Å; T278-V280 PolarHBondContact OG1-O 2.98Å; V280-I282 PolarHBondContact O-N 3.09Å |
| 281 | P | 84.9 | Confident | 81.3 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 26% | 0.26 | 26% | 0.264 | S | S | . | . | trans | -63.1 | 120.3 | 175.8 | 25.4 | -34 | 0 | 0 | 0 | 110.2 | Q194 C195 C273 L275 | Q194-P281 WeakPolarHBondContact CA-O 3.35Å; C195-P281 PolarHBondContact N-O 2.01Å; C195-P281 VanDerWaalsContact O-CG 3.32Å; C195-P281 WeakPolarHBondContact O-CG 3.43Å; C273-P281 HydrophobicContact CB-CB 3.99Å; L275-P281 HydrophobicContact CD2-CB 4.3Å | ||
| 282 | I | 88.3 | Confident | 81.3 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 155.9 | 176.8 | 62.4 | 171.3 | 0 | 0 | 0 | 110.7 | L185 C195 C273 D274 A277 V280 | L185-I282 HydrophobicContact CD1-CD1 4.49Å; L185-I282 HydrophobicContact CD2-CD1 4.17Å; C195-I282 VanDerWaalsContact CB-C 3.49Å; C273-I282 CarbonylContact C-O 3.6Å; C273-I282 VanDerWaalsContact CA-O 3.22Å; C273-I282 WeakPolarHBondContact CA-O 3.29Å; D274-I282 HydrophobicContact CB-CG1 4.06Å; D274-I282 PolarHBondContact N-O 2.98Å; D274-I282 PolarHBondContact O-N 3.41Å; D274-I282 VanDerWaalsContact O-N 3.11Å; A277-I282 HydrophobicContact CB-CD1 3.68Å; A277-I282 HydrophobicContact CB-CG1 4.44Å; V280-I282 PolarHBondContact O-N 3.09Å |
| 283 | L | 90.3 | Very high | 81.4 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.8 | 179.4 | -167.3 | 68.5 | 0 | 0 | 0 | 110.5 | L193 C195 Q285 A361 D363 | L193-L283 HydrophobicContact CD2-CD2 4.38Å; L193-L283 WeakPolarHBondContact O-CB 3.48Å; L193-L283 PolarHBondContact O-N 2.93Å; C195-L283 HydrophobicContact CB-CB 4.27Å; C195-L283 HydrophobicContact CB-CD1 4.31Å; L283-Q285 PolarHBondContact O-N 3.42Å; L283-A361 HydrophobicContact CD1-CB 3.64Å; L283-A361 WeakPolarHBondContact CD2-O 3.5Å; L283-A361 HydrophobicContact CG-CB 3.97Å; L283-D363 HydrophobicContact CD2-CB 4.42Å |
| 284 | V | 90.6 | Very high | 81.6 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | trans | -62.5 | 119.4 | -179.2 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | S272 D274 E286 C293 A361 | S272-V284 WeakPolarHBondContact O-CG2 3.44Å; S272-V284 PolarHBondContact O-N 3.3Å; D274-V284 HydrophobicContact CB-CG2 4.1Å; V284-E286 WeakPolarHBondContact CG1-O 3.37Å; V284-C293 HydrophobicContact CG1-CB 4.3Å; V284-A361 HydrophobicContact CB-CB 4.11Å; V284-A361 PolarHBondContact O-N 2.71Å | ||
| 285 | Q | 86.8 | Confident | 82 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -99 | -18.9 | 175.2 | -63.5 | -169.5 | -35.8 | 0 | 0 | 113.4 | L283 | L283-Q285 PolarHBondContact O-N 3.42Š|
| 286 | E | 83.3 | Confident | 82.9 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -129.4 | 103.3 | 175.8 | -71 | 175.7 | -107.7 | 0 | 0 | 109.1 | V284 L288 K289 R357 V359 | V284-E286 WeakPolarHBondContact CG1-O 3.37Å; E286-L288 PolarHBondContact O-N 3.45Å; E286-K289 HydrophobicContact CB-CD 4.15Å; E286-K289 HydrophobicContact CB-CG 4.26Å; E286-K289 WeakPolarHBondContact O-CB 3.3Å; E286-K289 PolarHBondContact O-N 3.3Å; E286-K289 WeakPolarHBondContact OE1-CE 3.4Å; E286-K289 IonicContact OE1-NZ 2.77Å; E286-K289 PolarHBondContact OE1-NZ 3.45Å; E286-R357 VanDerWaalsContact OE2-CD 3.23Å; E286-R357 WeakPolarHBondContact OE2-CD 3.49Å; E286-R357 IonicContact OE2-CZ 3.88Å; E286-R357 IonicContact OE2-NE 3.87Å; E286-R357 IonicContact OE2-NH1 3.52Å; E286-R357 PolarHBondContact OE2-NH1 3.17Å; E286-V359 CarbonylContact C-O 3.39Å |
| 287 | G | 76.7 | Confident | 84.4 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -59.7 | -20.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | K289 S290 V359 | G287-K289 VanDerWaalsContact C-N 3.26Å; G287-K289 PolarHBondContact O-N 3.13Å; G287-S290 PolarHBondContact O-N 3.4Å; G287-V359 PolarHBondContact N-O 2.98Å |
| 288 | L | 79.6 | Confident | 86.2 | Confident | 102 Ų | 102 | 39.7 Ų | 39.7 | 53% | 0.534 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -69 | -20.5 | 175.3 | -79.1 | 162.9 | 0 | 0 | 0 | 113.6 | E286 L354 R357 | E286-L288 PolarHBondContact O-N 3.45Å; L288-L354 WeakPolarHBondContact CD1-O 3.45Å; L288-L354 HydrophobicContact CD2-CD2 4.44Å; L288-R357 HydrophobicContact CD1-CG 4.35Å |
| 289 | K | 80.1 | Confident | 88 | Confident | 101 Ų | 101 | 39.2 Ų | 39.2 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -74.6 | -27.4 | 177.5 | -68.3 | 178.8 | 174 | 163.9 | 0 | 112.3 | E286 G287 | E286-K289 HydrophobicContact CB-CD 4.15Å; E286-K289 HydrophobicContact CB-CG 4.26Å; E286-K289 WeakPolarHBondContact O-CB 3.3Å; E286-K289 PolarHBondContact O-N 3.3Å; E286-K289 WeakPolarHBondContact OE1-CE 3.4Å; E286-K289 IonicContact OE1-NZ 2.77Å; E286-K289 PolarHBondContact OE1-NZ 3.45Å; G287-K289 VanDerWaalsContact C-N 3.26Å; G287-K289 PolarHBondContact O-N 3.13Å |
| 290 | S | 87.8 | Confident | 89.5 | Confident | 14 Ų | 14 | 35 Ų | 35 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | trans | -115.4 | 114.8 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | R270 G287 G292 C293 A294 | R270-S290 PolarHBondContact O-OG 2.93Å; G287-S290 PolarHBondContact O-N 3.4Å; S290-G292 PolarHBondContact O-N 2.96Å; S290-C293 WeakPolarHBondContact O-CB 3.39Å; S290-C293 PolarHBondContact O-N 3.35Å; S290-C293 VanDerWaalsContact O-N 3.09Å; S290-C293 PolarHBondContact OG-N 2.97Å; S290-A294 PolarHBondContact O-N 3.25Å | ||
| 291 | T | 90.9 | Very high | 90.7 | Very high | 111 Ų | 111 | 33 Ų | 33 | 68% | 0.681 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -56 | -38.9 | 175.7 | -53 | 0 | 0 | 0 | 0 | 112 | A294 I295 | T291-A294 PolarHBondContact O-N 3.23Å; T291-I295 HydrophobicContact CG2-CD1 3.94Å; T291-I295 VanDerWaalsContact O-CG1 3.25Å; T291-I295 WeakPolarHBondContact O-CG1 3.38Å; T291-I295 PolarHBondContact O-N 3.17Å |
| 292 | G | 92.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S290 I295 V296 | S290-G292 PolarHBondContact O-N 2.96Å; G292-I295 PolarHBondContact O-N 3.41Å; G292-V296 WeakPolarHBondContact O-CG2 3.47Å; G292-V296 PolarHBondContact O-N 3.1Å; G292-V296 VanDerWaalsContact O-N 3.13Å |
| 293 | C | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -49.6 | 176.4 | -169.1 | 0 | 0 | 0 | 0 | 111.8 | V271 V284 S290 I295 V296 F297 C368 | V271-C293 WeakPolarHBondContact O-CA 3.25Å; V271-C293 VanDerWaalsContact O-CB 3.24Å; V271-C293 WeakPolarHBondContact O-CB 3.39Å; V271-C293 PolarHBondContact O-N 3.41Å; V284-C293 HydrophobicContact CG1-CB 4.3Å; S290-C293 WeakPolarHBondContact O-CB 3.39Å; S290-C293 PolarHBondContact O-N 3.35Å; S290-C293 VanDerWaalsContact O-N 3.09Å; S290-C293 PolarHBondContact OG-N 2.97Å; C293-I295 PolarHBondContact O-N 3.17Å; C293-V296 PolarHBondContact O-N 3.2Å; C293-F297 WeakPolarHBondContact O-CB 3.47Å; C293-F297 PolarHBondContact O-N 3.31Å; C293-C368 WeakPolarHBondContact CA-SG 3.33Å; C293-C368 HydrophobicContact CB-CB 3.94Å; C293-C368 WeakPolarHBondContact CB-SG 3.37Å; C293-C368 VanDerWaalsContact O-CB 3.25Å; C293-C368 WeakPolarHBondContact O-CB 2.92Å; C293-C368 WeakPolarHBondContact SG-CB 3.25Å; C293-C368 CovalentContact SG-SG 2.01Å; C293-C368 PolarHBondContact SG-SG 3.46Å |
| 294 | A | 95 | Very high | 92.2 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S290 T291 F297 L298 | S290-A294 PolarHBondContact O-N 3.25Å; T291-A294 PolarHBondContact O-N 3.23Å; A294-F297 PolarHBondContact O-N 3.43Å; A294-L298 WeakPolarHBondContact O-CB 3.48Å; A294-L298 VanDerWaalsContact O-CG 3.23Å; A294-L298 WeakPolarHBondContact O-CG 3.36Å; A294-L298 PolarHBondContact O-N 2.85Å |
| 295 | I | 95.9 | Very high | 92.6 | Very high | 71 Ų | 71 | 34.9 Ų | 34.9 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 178 | -70.1 | 166.4 | 0 | 0 | 0 | 111 | V262 T291 G292 C293 L298 L299 | V262-I295 HydrophobicContact CG1-CG2 4.26Å; T291-I295 HydrophobicContact CG2-CD1 3.94Å; T291-I295 VanDerWaalsContact O-CG1 3.25Å; T291-I295 WeakPolarHBondContact O-CG1 3.38Å; T291-I295 PolarHBondContact O-N 3.17Å; G292-I295 PolarHBondContact O-N 3.41Å; C293-I295 PolarHBondContact O-N 3.17Å; I295-L298 PolarHBondContact O-N 2.91Å; I295-L299 HydrophobicContact CG2-CD1 4.03Å; I295-L299 HydrophobicContact CG2-CG 4.49Å; I295-L299 WeakPolarHBondContact O-CG 3.24Å; I295-L299 PolarHBondContact O-N 2.95Å |
| 296 | V | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 179.3 | 170 | 0 | 0 | 0 | 0 | 110.9 | V262 R263 V271 G292 C293 L299 L300 L367 | V262-V296 HydrophobicContact CG1-CG2 4.25Å; R263-V296 HydrophobicContact CB-CG2 4.23Å; V271-V296 HydrophobicContact CG1-CB 4.28Å; V271-V296 HydrophobicContact CG1-CG2 3.76Å; G292-V296 WeakPolarHBondContact O-CG2 3.47Å; G292-V296 PolarHBondContact O-N 3.1Å; G292-V296 VanDerWaalsContact O-N 3.13Å; C293-V296 PolarHBondContact O-N 3.2Å; V296-L299 PolarHBondContact O-N 2.96Å; V296-L300 HydrophobicContact CG1-CD1 3.81Å; V296-L300 HydrophobicContact CG1-CG 4.37Å; V296-L300 WeakPolarHBondContact O-CB 2.99Å; V296-L300 WeakPolarHBondContact O-CG 3.47Å; V296-L300 PolarHBondContact O-N 2.83Å; V296-L367 HydrophobicContact CG1-CB 4.3Å; V296-L367 HydrophobicContact CG1-CD2 3.72Å |
| 297 | F | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.8 | -49.6 | 174.6 | 161 | -102.3 | 0 | 0 | 0 | 112 | C293 A294 L299 L300 Y301 T350 I353 L354 V359 C368 V370 | C293-F297 WeakPolarHBondContact O-CB 3.47Å; C293-F297 PolarHBondContact O-N 3.31Å; A294-F297 PolarHBondContact O-N 3.43Å; F297-L299 VanDerWaalsContact C-N 3.33Å; F297-L299 PolarHBondContact O-N 3.48Å; F297-L300 PolarHBondContact O-N 3.15Å; F297-Y301 HydrophobicContact CE2-CD1 4.32Å; F297-Y301 HydrophobicContact CE2-CD2 4.18Å; F297-Y301 AromaticContact CE2-CG 3.77Å; F297-Y301 HydrophobicContact CE2-CG 3.77Å; F297-Y301 HydrophobicContact CZ-CD1 4.23Å; F297-Y301 HydrophobicContact CZ-CG 4.13Å; F297-Y301 VanDerWaalsContact O-CB 3.26Å; F297-Y301 WeakPolarHBondContact O-CB 3.39Å; F297-Y301 PolarHBondContact O-N 2.92Å; F297-T350 HydrophobicContact CE1-CG2 3.91Å; F297-T350 HydrophobicContact CZ-CG2 4.23Å; F297-I353 HydrophobicContact CE1-CG2 4.27Å; F297-I353 HydrophobicContact CE2-CG2 3.8Å; F297-I353 HydrophobicContact CZ-CB 4.03Å; F297-I353 HydrophobicContact CZ-CD1 4.28Å; F297-I353 HydrophobicContact CZ-CG2 3.41Å; F297-I353 VanDerWaalsContact CZ-CG2 3.41Å; F297-L354 HydrophobicContact CD1-CD2 4.03Å; F297-L354 HydrophobicContact CE1-CD2 3.73Å; F297-L354 HydrophobicContact CE1-CG 3.93Å; F297-V359 HydrophobicContact CB-CG1 3.64Å; F297-V359 HydrophobicContact CD1-CG1 4.24Å; F297-V359 HydrophobicContact CD1-CG2 3.74Å; F297-V359 HydrophobicContact CD2-CB 4.47Å; F297-V359 HydrophobicContact CD2-CG1 3.91Å; F297-V359 HydrophobicContact CD2-CG2 3.78Å; F297-V359 HydrophobicContact CE1-CG2 3.75Å; F297-V359 HydrophobicContact CE2-CG2 3.78Å; F297-V359 HydrophobicContact CG-CB 4.38Å; F297-V359 HydrophobicContact CG-CG1 3.64Å; F297-V359 HydrophobicContact CG-CG2 3.76Å; F297-V359 HydrophobicContact CZ-CG2 3.77Å; F297-C368 WeakPolarHBondContact CA-O 3.29Å; F297-C368 HydrophobicContact CB-CB 4.28Å; F297-V370 HydrophobicContact CE2-CB 4.27Å |
| 298 | L | 97.6 | Very high | 94.8 | Very high | 71 Ų | 71 | 31.1 Ų | 31.1 | 37% | 0.372 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.8 | -45.4 | -179.9 | -75.2 | 173.1 | 0 | 0 | 0 | 111.2 | A294 I295 F302 T350 L354 | A294-L298 WeakPolarHBondContact O-CB 3.48Å; A294-L298 VanDerWaalsContact O-CG 3.23Å; A294-L298 WeakPolarHBondContact O-CG 3.36Å; A294-L298 PolarHBondContact O-N 2.85Å; I295-L298 PolarHBondContact O-N 2.91Å; L298-F302 WeakPolarHBondContact O-CB 3.43Å; L298-F302 PolarHBondContact O-N 2.95Å; L298-T350 HydrophobicContact CD2-CG2 3.45Å; L298-T350 VanDerWaalsContact CD2-CG2 3.45Å; L298-L354 HydrophobicContact CD2-CD1 4.16Å |
| 299 | L | 98 | Very high | 95.7 | Very high | 29 Ų | 29 | 27 Ų | 27 | 15% | 0.152 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 179.8 | -68.4 | 174.2 | 0 | 0 | 0 | 112.3 | V258 A259 V262 I295 V296 F297 F303 | V258-L299 HydrophobicContact CG1-CD1 4.23Å; A259-L299 HydrophobicContact CB-CB 3.49Å; A259-L299 VanDerWaalsContact CB-CB 3.49Å; A259-L299 HydrophobicContact CB-CD1 4.19Å; V262-L299 HydrophobicContact CG2-CD1 4.22Å; I295-L299 HydrophobicContact CG2-CD1 4.03Å; I295-L299 HydrophobicContact CG2-CG 4.49Å; I295-L299 WeakPolarHBondContact O-CG 3.24Å; I295-L299 PolarHBondContact O-N 2.95Å; V296-L299 PolarHBondContact O-N 2.96Å; F297-L299 VanDerWaalsContact C-N 3.33Å; F297-L299 PolarHBondContact O-N 3.48Å; L299-F303 HydrophobicContact CD2-CD2 4.22Å; L299-F303 HydrophobicContact CD2-CE2 3.9Å; L299-F303 WeakPolarHBondContact O-CB 3.27Å; L299-F303 WeakPolarHBondContact O-CD2 3.49Å |
| 300 | L | 98.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.8 | -52.2 | 179.6 | -71.2 | 174.8 | 0 | 0 | 0 | 111.9 | Y256 A259 Y260 V296 F297 G304 L367 Y369 | Y256-L300 HydrophobicContact CD2-CD2 4.03Å; Y256-L300 VanDerWaalsContact CD2-O 3.24Å; Y256-L300 WeakPolarHBondContact CD2-O 3.43Å; Y256-L300 HydrophobicContact CE1-CD2 4.24Å; Y256-L300 HydrophobicContact CE2-CB 4.14Å; Y256-L300 HydrophobicContact CE2-CD2 3.63Å; Y256-L300 VanDerWaalsContact CE2-O 3.23Å; Y256-L300 WeakPolarHBondContact CE2-O 3.41Å; Y256-L300 HydrophobicContact CG-CD2 4.48Å; A259-L300 HydrophobicContact CB-CD2 3.55Å; A259-L300 HydrophobicContact CB-CG 3.58Å; Y260-L300 HydrophobicContact CD2-CD2 4.11Å; Y260-L300 HydrophobicContact CE2-CD2 3.49Å; Y260-L300 VanDerWaalsContact CE2-CD2 3.49Å; V296-L300 HydrophobicContact CG1-CD1 3.81Å; V296-L300 HydrophobicContact CG1-CG 4.37Å; V296-L300 WeakPolarHBondContact O-CB 2.99Å; V296-L300 WeakPolarHBondContact O-CG 3.47Å; V296-L300 PolarHBondContact O-N 2.83Å; F297-L300 PolarHBondContact O-N 3.15Å; L300-G304 WeakPolarHBondContact O-CA 3.44Å; L300-G304 PolarHBondContact O-N 3.21Å; L300-L367 HydrophobicContact CD1-CB 4.18Å; L300-L367 HydrophobicContact CD1-CD1 4.24Å; L300-L367 HydrophobicContact CD1-CD2 4.24Å; L300-L367 HydrophobicContact CD1-CG 4.46Å; L300-Y369 HydrophobicContact CB-CD2 3.99Å; L300-Y369 HydrophobicContact CB-CE2 4.02Å; L300-Y369 HydrophobicContact CD1-CD2 4.34Å |
| 301 | Y | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.7 | -51.4 | -169.4 | -173.1 | -91.8 | 0 | 0 | 0 | 112.3 | F297 M305 K349 T350 I353 Y369 V370 F381 V382 | F297-Y301 HydrophobicContact CE2-CD1 4.32Å; F297-Y301 HydrophobicContact CE2-CD2 4.18Å; F297-Y301 AromaticContact CE2-CG 3.77Å; F297-Y301 HydrophobicContact CE2-CG 3.77Å; F297-Y301 HydrophobicContact CZ-CD1 4.23Å; F297-Y301 HydrophobicContact CZ-CG 4.13Å; F297-Y301 VanDerWaalsContact O-CB 3.26Å; F297-Y301 WeakPolarHBondContact O-CB 3.39Å; F297-Y301 PolarHBondContact O-N 2.92Å; Y301-M305 HydrophobicContact CD1-CG 4.33Å; Y301-M305 HydrophobicContact CD2-CE 4.25Å; Y301-M305 HydrophobicContact CE1-CG 3.97Å; Y301-M305 HydrophobicContact CE2-CE 3.57Å; Y301-M305 HydrophobicContact CE2-CG 4.22Å; Y301-M305 WeakPolarHBondContact O-CB 3.48Å; Y301-M305 WeakPolarHBondContact O-CG 3.37Å; Y301-M305 PolarHBondContact O-N 3.42Å; Y301-K349 HydrophobicContact CE1-CB 3.94Å; Y301-K349 WeakPolarHBondContact OH-CE 3.47Å; Y301-K349 PolarHBondContact OH-NZ 3.11Å; Y301-T350 WeakPolarHBondContact CD1-OG1 3.4Å; Y301-I353 HydrophobicContact CD1-CD1 4.03Å; Y301-I353 HydrophobicContact CD2-CD1 4.21Å; Y301-I353 HydrophobicContact CE1-CD1 3.41Å; Y301-I353 VanDerWaalsContact CE1-CD1 3.41Å; Y301-I353 HydrophobicContact CE2-CD1 3.62Å; Y301-I353 HydrophobicContact CG-CD1 4.4Å; Y301-I353 WeakPolarHBondContact OH-CD1 3.32Å; Y301-Y369 AromaticContact CD2-CE2 3.98Å; Y301-Y369 HydrophobicContact CD2-CE2 3.98Å; Y301-Y369 AromaticContact CD2-CZ 3.91Å; Y301-V370 HydrophobicContact CD2-CG1 3.62Å; Y301-V370 HydrophobicContact CE2-CG1 3.54Å; Y301-F381 PolarHBondContact OH-O 2.95Å; Y301-V382 HydrophobicContact CE2-CG2 4.16Å |
| 302 | F | 98.6 | Very high | 97.3 | Very high | 45 Ų | 45 | 17.1 Ų | 17.1 | 20% | 0.197 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -52.1 | -176.4 | 178.9 | -91.7 | 0 | 0 | 0 | 111.1 | L298 M305 A306 W343 P346 A347 | L298-F302 WeakPolarHBondContact O-CB 3.43Å; L298-F302 PolarHBondContact O-N 2.95Å; F302-M305 PolarHBondContact O-N 3.41Å; F302-A306 VanDerWaalsContact O-CB 3.32Å; F302-A306 WeakPolarHBondContact O-CB 3.37Å; F302-A306 PolarHBondContact O-N 3.28Å; F302-W343 AromaticContact CE1-CE3 3.9Å; F302-W343 HydrophobicContact CE1-CE3 3.9Å; F302-W343 AromaticContact CE1-CZ3 3.98Å; F302-W343 HydrophobicContact CE1-CZ3 3.98Å; F302-W343 AromaticContact CZ-CE3 3.86Å; F302-W343 HydrophobicContact CZ-CE3 3.86Å; F302-W343 HydrophobicContact CZ-CZ3 4.41Å; F302-P346 HydrophobicContact CD2-CB 3.84Å; F302-P346 HydrophobicContact CE2-CB 3.99Å; F302-P346 HydrophobicContact CG-CB 4.45Å; F302-A347 HydrophobicContact CE2-CB 3.96Å |
| 303 | F | 98.5 | Very high | 97.5 | Very high | 35 Ų | 35 | 17.1 Ų | 17.1 | 15% | 0.154 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -75 | -29 | -177.3 | -63.9 | -69.9 | 0 | 0 | 0 | 112.9 | C252 L255 L299 S307 | C252-F303 HydrophobicContact CB-CB 4.34Å; C252-F303 WeakPolarHBondContact CB-O 3.4Å; C252-F303 WeakPolarHBondContact O-CB 3.44Å; L255-F303 HydrophobicContact CB-CB 4.41Å; L255-F303 HydrophobicContact CB-CD1 4.01Å; L255-F303 HydrophobicContact CB-CD2 3.59Å; L255-F303 HydrophobicContact CB-CE1 4.2Å; L255-F303 HydrophobicContact CB-CE2 3.82Å; L255-F303 HydrophobicContact CB-CG 3.72Å; L255-F303 HydrophobicContact CB-CZ 4.13Å; L255-F303 HydrophobicContact CD1-CD1 3.87Å; L255-F303 HydrophobicContact CD1-CD2 4.38Å; L255-F303 HydrophobicContact CD1-CE1 3.3Å; L255-F303 HydrophobicContact CD1-CE2 3.9Å; L255-F303 HydrophobicContact CD1-CG 4.39Å; L255-F303 HydrophobicContact CD1-CZ 3.34Å; L255-F303 HydrophobicContact CG-CE1 4.37Å; L255-F303 HydrophobicContact CG-CE2 4.41Å; L255-F303 HydrophobicContact CG-CZ 4.3Å; L299-F303 HydrophobicContact CD2-CD2 4.22Å; L299-F303 HydrophobicContact CD2-CE2 3.9Å; L299-F303 WeakPolarHBondContact O-CB 3.27Å; L299-F303 WeakPolarHBondContact O-CD2 3.49Å; F303-S307 VanDerWaalsContact O-CB 3.25Å; F303-S307 WeakPolarHBondContact O-CB 3.36Å; F303-S307 PolarHBondContact O-N 3.05Å |
| 304 | G | 98 | Very high | 97.5 | Very high | 15 Ų | 15 | 17.1 Ų | 17.1 | 16% | 0.155 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.2 | -50.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L300 S307 S308 | L300-G304 WeakPolarHBondContact O-CA 3.44Å; L300-G304 PolarHBondContact O-N 3.21Å; G304-S307 WeakPolarHBondContact O-CB 3.4Å; G304-S307 PolarHBondContact O-N 2.64Å; G304-S308 PolarHBondContact O-N 2.94Å; G304-S308 PolarHBondContact O-OG 3.37Å |
| 305 | M | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.7 | -41.3 | 178.6 | -69.1 | -67.5 | 163.5 | 0 | 0 | 112.5 | Y301 F302 S307 S308 L309 P346 K349 F381 V382 L386 Y389 | Y301-M305 HydrophobicContact CD1-CG 4.33Å; Y301-M305 HydrophobicContact CD2-CE 4.25Å; Y301-M305 HydrophobicContact CE1-CG 3.97Å; Y301-M305 HydrophobicContact CE2-CE 3.57Å; Y301-M305 HydrophobicContact CE2-CG 4.22Å; Y301-M305 WeakPolarHBondContact O-CB 3.48Å; Y301-M305 WeakPolarHBondContact O-CG 3.37Å; Y301-M305 PolarHBondContact O-N 3.42Å; F302-M305 PolarHBondContact O-N 3.41Å; M305-S307 VanDerWaalsContact C-N 3.35Å; M305-S308 PolarHBondContact O-N 3.13Å; M305-L309 PolarHBondContact O-N 3.04Å; M305-L309 VanDerWaalsContact O-N 3.13Å; M305-P346 HydrophobicContact CB-CB 3.91Å; M305-P346 HydrophobicContact CB-CG 3.94Å; M305-K349 PolarHBondContact SD-NZ 3.39Å; M305-F381 WeakPolarHBondContact CE-O 3.4Å; M305-V382 HydrophobicContact CE-CB 4.42Å; M305-V382 HydrophobicContact CE-CG1 4.24Å; M305-L386 HydrophobicContact CE-CD2 4.46Å; M305-L386 HydrophobicContact CE-CG 4.31Å; M305-L386 HydrophobicContact SD-CD2 4.3Å; M305-Y389 HydrophobicContact SD-CE2 4.26Å |
| 306 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F302 S308 L309 W310 W343 P346 | F302-A306 VanDerWaalsContact O-CB 3.32Å; F302-A306 WeakPolarHBondContact O-CB 3.37Å; F302-A306 PolarHBondContact O-N 3.28Å; A306-S308 PolarHBondContact O-N 2.71Å; A306-L309 PolarHBondContact O-N 2.91Å; A306-W310 PolarHBondContact O-N 3.07Å; A306-W343 HydrophobicContact CB-CE3 3.9Å; A306-W343 HydrophobicContact CB-CZ3 3.56Å; A306-P346 HydrophobicContact CB-CG 4.03Å |
| 307 | S | 97.3 | Very high | 97.4 | Very high | 8 Ų | 8 | 14.8 Ų | 14.8 | 6% | 0.056 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | C253 F303 G304 M305 L309 W310 W311 | C253-S307 PolarHBondContact SG-OG 2.88Å; F303-S307 VanDerWaalsContact O-CB 3.25Å; F303-S307 WeakPolarHBondContact O-CB 3.36Å; F303-S307 PolarHBondContact O-N 3.05Å; G304-S307 WeakPolarHBondContact O-CB 3.4Å; G304-S307 PolarHBondContact O-N 2.64Å; M305-S307 VanDerWaalsContact C-N 3.35Å; S307-L309 PolarHBondContact O-N 3.37Å; S307-W310 PolarHBondContact O-N 2.88Å; S307-W311 PolarHBondContact O-N 3.35Å |
| 308 | S | 97.3 | Very high | 97.2 | Very high | 17 Ų | 17 | 14.9 Ų | 14.9 | 12% | 0.119 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.5 | -38.3 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | G304 M305 A306 W311 V312 L386 | G304-S308 PolarHBondContact O-N 2.94Å; G304-S308 PolarHBondContact O-OG 3.37Å; M305-S308 PolarHBondContact O-N 3.13Å; A306-S308 PolarHBondContact O-N 2.71Å; S308-W311 WeakPolarHBondContact O-CB 3.43Å; S308-W311 PolarHBondContact O-N 2.84Å; S308-V312 PolarHBondContact O-N 3.42Å; S308-L386 WeakPolarHBondContact OG-CD2 3.27Å |
| 309 | L | 98.1 | Very high | 97 | Very high | 14 Ų | 14 | 13.5 Ų | 13.5 | 7% | 0.073 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68.1 | -39.5 | 174.7 | -78.3 | 165.9 | 0 | 0 | 0 | 112.5 | M305 A306 S307 W311 V312 I313 A342 I345 P346 Y389 | M305-L309 PolarHBondContact O-N 3.04Å; M305-L309 VanDerWaalsContact O-N 3.13Å; A306-L309 PolarHBondContact O-N 2.91Å; S307-L309 PolarHBondContact O-N 3.37Å; L309-W311 PolarHBondContact O-N 3.11Å; L309-V312 WeakPolarHBondContact O-CB 3.49Å; L309-V312 PolarHBondContact O-N 3.48Å; L309-V312 VanDerWaalsContact O-N 3.1Å; L309-I313 WeakPolarHBondContact O-CG1 3.29Å; L309-I313 PolarHBondContact O-N 3.29Å; L309-A342 HydrophobicContact CB-CB 4.45Å; L309-I345 HydrophobicContact CD1-CB 3.86Å; L309-I345 HydrophobicContact CD1-CD1 4.39Å; L309-I345 HydrophobicContact CD1-CG2 4.05Å; L309-I345 HydrophobicContact CD2-CD1 4.34Å; L309-P346 HydrophobicContact CD1-CG 3.69Å; L309-Y389 HydrophobicContact CD2-CD1 4.04Å; L309-Y389 HydrophobicContact CD2-CE1 3.68Å; L309-Y389 HydrophobicContact CD2-CE2 4.27Å; L309-Y389 HydrophobicContact CG-CD2 4.46Å; L309-Y389 HydrophobicContact CG-CE1 4.3Å; L309-Y389 HydrophobicContact CG-CE2 4Å |
| 310 | W | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.4 | -33.2 | 173.2 | -81.2 | 117.3 | 0 | 0 | 0 | 112.4 | P245 F248 L249 A306 S307 I313 L314 H339 A342 W343 | P245-W310 HydrophobicContact CB-CE3 4.04Å; F248-W310 HydrophobicContact CB-CD2 3.52Å; F248-W310 VanDerWaalsContact CB-CE2 3.42Å; F248-W310 HydrophobicContact CB-CE3 4.01Å; F248-W310 HydrophobicContact CB-CG 3.87Å; F248-W310 HydrophobicContact CB-CH2 4.33Å; F248-W310 HydrophobicContact CB-CZ2 3.86Å; F248-W310 HydrophobicContact CB-CZ3 4.39Å; F248-W310 HydrophobicContact CD1-CZ2 4.47Å; F248-W310 HydrophobicContact CD2-CD2 4.37Å; F248-W310 HydrophobicContact CD2-CE3 4.1Å; F248-W310 AromaticContact CD2-CH2 3.56Å; F248-W310 HydrophobicContact CD2-CH2 3.56Å; F248-W310 AromaticContact CD2-CZ2 3.85Å; F248-W310 HydrophobicContact CD2-CZ2 3.85Å; F248-W310 AromaticContact CD2-CZ3 3.69Å; F248-W310 HydrophobicContact CD2-CZ3 3.69Å; F248-W310 HydrophobicContact CE2-CH2 4.08Å; F248-W310 HydrophobicContact CE2-CZ3 4.41Å; F248-W310 HydrophobicContact CG-CD2 4.28Å; F248-W310 AromaticContact CG-CE2 3.93Å; F248-W310 HydrophobicContact CG-CE3 4.45Å; F248-W310 HydrophobicContact CG-CH2 4.04Å; F248-W310 AromaticContact CG-CZ2 3.82Å; F248-W310 HydrophobicContact CG-CZ2 3.82Å; F248-W310 HydrophobicContact CG-CZ3 4.34Å; L249-W310 HydrophobicContact CB-CB 4.07Å; A306-W310 PolarHBondContact O-N 3.07Å; S307-W310 PolarHBondContact O-N 2.88Å; W310-I313 HydrophobicContact CD2-CD1 4.32Å; W310-I313 HydrophobicContact CE3-CB 4.2Å; W310-I313 HydrophobicContact CE3-CD1 3.8Å; W310-I313 HydrophobicContact CE3-CG2 4.15Å; W310-I313 HydrophobicContact CZ3-CD1 3.93Å; W310-I313 HydrophobicContact CZ3-CG2 4.06Å; W310-I313 PolarHBondContact O-N 2.76Å; W310-L314 WeakPolarHBondContact O-CB 3.5Å; W310-L314 PolarHBondContact O-N 3.38Å; W310-H339 AromaticContact CH2-CE1 3.39Å; W310-H339 WeakPolarHBondContact CH2-CE1 3.44Å; W310-H339 AromaticContact CH2-CG 3.97Å; W310-H339 AromaticContact CH2-ND1 3.37Å; W310-H339 WeakPolarHBondContact CH2-ND1 3.45Å; W310-H339 AromaticContact CH2-NE2 3.98Å; W310-H339 AromaticContact CZ2-CE1 3.69Å; W310-H339 AromaticContact CZ2-ND1 3.44Å; W310-H339 WeakPolarHBondContact CZ2-ND1 3.32Å; W310-A342 HydrophobicContact CD2-CB 3.98Å; W310-A342 VanDerWaalsContact CE2-CB 3.48Å; W310-A342 HydrophobicContact CG-CB 4.39Å; W310-A342 HydrophobicContact CH2-CB 4.3Å; W310-A342 HydrophobicContact CZ2-CB 3.67Å; W310-W343 HydrophobicContact CZ2-CZ2 4.11Å; W310-W343 AromaticContact CZ2-NE1 3.97Å; W310-W343 AromaticContact NE1-CE2 3.84Å; W310-W343 AromaticContact NE1-CH2 3.56Å; W310-W343 AromaticContact NE1-CZ2 3.4Å |
| 311 | W | 97.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 1% | 0.011 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 169.9 | 175 | 80.7 | 0 | 0 | 0 | 112.2 | L249 S307 S308 L309 I313 L314 T315 Y389 L390 T394 I397 S432 Y435 T436 | L249-W311 HydrophobicContact CD1-CB 3.9Å; S307-W311 PolarHBondContact O-N 3.35Å; S308-W311 WeakPolarHBondContact O-CB 3.43Å; S308-W311 PolarHBondContact O-N 2.84Å; L309-W311 PolarHBondContact O-N 3.11Å; W311-I313 VanDerWaalsContact C-N 3.31Å; W311-I313 PolarHBondContact O-N 3.24Å; W311-L314 WeakPolarHBondContact O-CB 3.19Å; W311-L314 PolarHBondContact O-N 2.66Å; W311-L314 VanDerWaalsContact O-N 3.13Å; W311-T315 HydrophobicContact CD2-CG2 4.25Å; W311-T315 HydrophobicContact CH2-CG2 4.33Å; W311-T315 HydrophobicContact CZ2-CG2 3.78Å; W311-T315 WeakPolarHBondContact O-CG2 3.35Å; W311-T315 PolarHBondContact O-N 3.04Å; W311-Y389 WeakPolarHBondContact CZ3-O 3.4Å; W311-L390 HydrophobicContact CH2-CD1 3.81Å; W311-L390 HydrophobicContact CZ2-CD1 4.45Å; W311-L390 HydrophobicContact CZ3-CD1 4.22Å; W311-T394 HydrophobicContact CH2-CG2 4.3Å; W311-I397 HydrophobicContact CZ2-CD1 3.83Å; W311-S432 PolarHBondContact NE1-O 3.24Å; W311-Y435 HydrophobicContact CB-CD1 4.19Å; W311-Y435 HydrophobicContact CB-CD2 4.43Å; W311-Y435 HydrophobicContact CB-CE1 3.77Å; W311-Y435 HydrophobicContact CB-CE2 3.98Å; W311-Y435 AromaticContact CD1-CD1 3.19Å; W311-Y435 AromaticContact CD1-CD2 3.67Å; W311-Y435 AromaticContact CD1-CE1 3.71Å; W311-Y435 AromaticContact CD1-CG 3.2Å; W311-Y435 AromaticContact CD2-CD1 3.6Å; W311-Y435 HydrophobicContact CD2-CD1 3.6Å; W311-Y435 AromaticContact CD2-CE1 3.68Å; W311-Y435 HydrophobicContact CD2-CE1 3.68Å; W311-Y435 HydrophobicContact CD2-CG 4.4Å; W311-Y435 AromaticContact CE2-CD1 3.55Å; W311-Y435 HydrophobicContact CE3-CD1 4.49Å; W311-Y435 HydrophobicContact CE3-CE1 4.27Å; W311-Y435 AromaticContact CG-CD1 3.39Å; W311-Y435 HydrophobicContact CG-CD1 3.39Å; W311-Y435 HydrophobicContact CG-CD2 4.16Å; W311-Y435 AromaticContact CG-CE1 3.41Å; W311-Y435 HydrophobicContact CG-CE1 3.41Å; W311-Y435 VanDerWaalsContact CG-CE1 3.41Å; W311-Y435 HydrophobicContact CG-CE2 4.13Å; W311-Y435 AromaticContact CG-CG 3.82Å; W311-Y435 HydrophobicContact CG-CG 3.82Å; W311-Y435 AromaticContact CG-CZ 3.81Å; W311-Y435 HydrophobicContact CZ2-CD1 4.39Å; W311-Y435 AromaticContact NE1-CD1 3.27Å; W311-Y435 VanDerWaalsContact NE1-CD1 3.27Å; W311-Y435 AromaticContact NE1-CG 3.46Å; W311-T436 HydrophobicContact CH2-CG2 4.23Å; W311-T436 HydrophobicContact CZ2-CG2 3.57Å |
| 312 | V | 97.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 13.5 Ų | 13.5 | 10% | 0.103 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 173.3 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | S308 L309 L314 T315 L316 Y389 I392 F396 | S308-V312 PolarHBondContact O-N 3.42Å; L309-V312 WeakPolarHBondContact O-CB 3.49Å; L309-V312 PolarHBondContact O-N 3.48Å; L309-V312 VanDerWaalsContact O-N 3.1Å; V312-L314 VanDerWaalsContact C-N 3.3Å; V312-L314 PolarHBondContact O-N 3.42Å; V312-T315 PolarHBondContact O-N 2.68Å; V312-T315 PolarHBondContact O-OG1 3.31Å; V312-L316 WeakPolarHBondContact O-CB 3.41Å; V312-L316 PolarHBondContact O-N 3.19Å; V312-Y389 HydrophobicContact CG2-CG 4.46Å; V312-Y389 WeakPolarHBondContact CG2-O 3.33Å; V312-I392 HydrophobicContact CG1-CG2 3.8Å; V312-F396 HydrophobicContact CG1-CE2 4.48Å |
| 313 | I | 97.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 12.3 Ų | 12.3 | 6% | 0.062 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.5 | -38 | 176.5 | -67.2 | 160 | 0 | 0 | 0 | 111.2 | P245 L309 W310 W311 L316 T317 F338 A342 | P245-I313 HydrophobicContact CB-CG2 4.4Å; P245-I313 HydrophobicContact CG-CG2 4.02Å; L309-I313 WeakPolarHBondContact O-CG1 3.29Å; L309-I313 PolarHBondContact O-N 3.29Å; W310-I313 HydrophobicContact CD2-CD1 4.32Å; W310-I313 HydrophobicContact CE3-CB 4.2Å; W310-I313 HydrophobicContact CE3-CD1 3.8Å; W310-I313 HydrophobicContact CE3-CG2 4.15Å; W310-I313 HydrophobicContact CZ3-CD1 3.93Å; W310-I313 HydrophobicContact CZ3-CG2 4.06Å; W310-I313 PolarHBondContact O-N 2.76Å; W311-I313 VanDerWaalsContact C-N 3.31Å; W311-I313 PolarHBondContact O-N 3.24Å; I313-L316 PolarHBondContact O-N 3.48Å; I313-T317 HydrophobicContact CG2-CG2 4.15Å; I313-T317 WeakPolarHBondContact O-CB 3.45Å; I313-T317 VanDerWaalsContact O-CG2 3.3Å; I313-T317 WeakPolarHBondContact O-CG2 3.34Å; I313-T317 PolarHBondContact O-N 2.78Å; I313-T317 PolarHBondContact O-OG1 3.31Å; I313-F338 HydrophobicContact CD1-CB 4.05Å; I313-F338 WeakPolarHBondContact CD1-O 3.48Å; I313-F338 HydrophobicContact CG1-CB 4.4Å; I313-F338 HydrophobicContact CG2-CB 3.96Å; I313-F338 HydrophobicContact CG2-CD1 4.37Å; I313-F338 HydrophobicContact CG2-CD2 4.26Å; I313-F338 HydrophobicContact CG2-CG 3.95Å; I313-A342 HydrophobicContact CD1-CB 3.75Å |
| 314 | L | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.6 | -48.4 | 173.5 | 179.3 | 63.3 | 0 | 0 | 0 | 111.1 | P245 I246 W310 W311 V312 L316 T317 W318 I428 F431 | P245-L314 HydrophobicContact CB-CB 3.99Å; P245-L314 HydrophobicContact CB-CD1 4.23Å; I246-L314 HydrophobicContact CD1-CD1 4.22Å; I246-L314 HydrophobicContact CD1-CD2 4.41Å; I246-L314 HydrophobicContact CG1-CD1 3.76Å; I246-L314 HydrophobicContact CG1-CD2 3.78Å; I246-L314 HydrophobicContact CG1-CG 4.42Å; W310-L314 WeakPolarHBondContact O-CB 3.5Å; W310-L314 PolarHBondContact O-N 3.38Å; W311-L314 WeakPolarHBondContact O-CB 3.19Å; W311-L314 PolarHBondContact O-N 2.66Å; W311-L314 VanDerWaalsContact O-N 3.13Å; V312-L314 VanDerWaalsContact C-N 3.3Å; V312-L314 PolarHBondContact O-N 3.42Å; L314-L316 PolarHBondContact O-N 3.23Å; L314-T317 PolarHBondContact O-N 3.29Å; L314-T317 PolarHBondContact O-OG1 3.21Å; L314-T317 VanDerWaalsContact O-OG1 3.11Å; L314-W318 WeakPolarHBondContact O-CB 3.45Å; L314-W318 PolarHBondContact O-N 3.05Å; L314-I428 HydrophobicContact CD1-CG2 3.99Å; L314-F431 HydrophobicContact CD2-CD1 3.86Å; L314-F431 HydrophobicContact CD2-CE1 3.92Å |
| 315 | T | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 178.7 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | W311 V312 F319 G393 I397 | W311-T315 HydrophobicContact CD2-CG2 4.25Å; W311-T315 HydrophobicContact CH2-CG2 4.33Å; W311-T315 HydrophobicContact CZ2-CG2 3.78Å; W311-T315 WeakPolarHBondContact O-CG2 3.35Å; W311-T315 PolarHBondContact O-N 3.04Å; V312-T315 PolarHBondContact O-N 2.68Å; V312-T315 PolarHBondContact O-OG1 3.31Å; T315-F319 WeakPolarHBondContact O-CB 3.33Å; T315-F319 PolarHBondContact O-N 3.49Å; T315-G393 VanDerWaalsContact OG1-CA 3.24Å; T315-G393 WeakPolarHBondContact OG1-CA 3.49Å; T315-I397 HydrophobicContact CG2-CD1 3.71Å; T315-I397 HydrophobicContact CG2-CG1 3.64Å |
| 316 | L | 95.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 26 Ų | 26 | 21% | 0.209 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -53.8 | 174.6 | 171.3 | 62.2 | 0 | 0 | 0 | 111.1 | V312 I313 L314 W318 F319 L320 F338 F396 | V312-L316 WeakPolarHBondContact O-CB 3.41Å; V312-L316 PolarHBondContact O-N 3.19Å; I313-L316 PolarHBondContact O-N 3.48Å; L314-L316 PolarHBondContact O-N 3.23Å; L316-W318 VanDerWaalsContact C-N 3.25Å; L316-W318 PolarHBondContact O-N 2.6Å; L316-F319 CarbonylContact O-C 3.19Å; L316-F319 WeakPolarHBondContact O-CA 3.27Å; L316-F319 WeakPolarHBondContact O-CB 3.11Å; L316-F319 PolarHBondContact O-N 3.26Å; L316-L320 HydrophobicContact CD1-CD1 4.16Å; L316-L320 HydrophobicContact CD1-CD2 4.41Å; L316-L320 HydrophobicContact CD1-CG 4.07Å; L316-L320 HydrophobicContact CG-CD1 4.13Å; L316-L320 HydrophobicContact CG-CG 4.42Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.14Å; L316-F338 HydrophobicContact CD2-CE1 4.09Å; L316-F396 HydrophobicContact CB-CD2 3.98Å; L316-F396 HydrophobicContact CB-CE2 3.96Å; L316-F396 HydrophobicContact CB-CZ 4.46Å; L316-F396 HydrophobicContact CD1-CD1 4.28Å; L316-F396 HydrophobicContact CD1-CE1 3.79Å; L316-F396 HydrophobicContact CD1-CE2 4.05Å; L316-F396 HydrophobicContact CD1-CZ 3.68Å; L316-F396 HydrophobicContact CG-CE2 4.48Å |
| 317 | T | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -32.8 | -178.7 | 54 | 0 | 0 | 0 | 0 | 112 | Y241 I313 L314 L320 A321 I331 F338 | Y241-T317 HydrophobicContact CD1-CG2 4.3Å; I313-T317 HydrophobicContact CG2-CG2 4.15Å; I313-T317 WeakPolarHBondContact O-CB 3.45Å; I313-T317 VanDerWaalsContact O-CG2 3.3Å; I313-T317 WeakPolarHBondContact O-CG2 3.34Å; I313-T317 PolarHBondContact O-N 2.78Å; I313-T317 PolarHBondContact O-OG1 3.31Å; L314-T317 PolarHBondContact O-N 3.29Å; L314-T317 PolarHBondContact O-OG1 3.21Å; L314-T317 VanDerWaalsContact O-OG1 3.11Å; T317-L320 PolarHBondContact O-N 3.43Å; T317-A321 WeakPolarHBondContact O-CB 3.43Å; T317-A321 PolarHBondContact O-N 3.25Å; T317-I331 HydrophobicContact CG2-CG2 3.68Å; T317-F338 HydrophobicContact CG2-CD2 4.43Å; T317-F338 HydrophobicContact CG2-CE2 3.91Å; T317-F338 HydrophobicContact CG2-CZ 4.15Å |
| 318 | W | 93 | Very high | 92.4 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 169.3 | 179.2 | 77.6 | 0 | 0 | 0 | 112.2 | L314 L316 A321 A322 I397 G400 L401 L404 M425 I428 | L314-W318 WeakPolarHBondContact O-CB 3.45Å; L314-W318 PolarHBondContact O-N 3.05Å; L316-W318 VanDerWaalsContact C-N 3.25Å; L316-W318 PolarHBondContact O-N 2.6Å; W318-A321 PolarHBondContact O-N 3.31Å; W318-A322 WeakPolarHBondContact O-CB 3.45Å; W318-A322 PolarHBondContact O-N 2.87Å; W318-I397 WeakPolarHBondContact CZ3-O 3.29Å; W318-G400 VanDerWaalsContact CH2-C 3.44Å; W318-L401 HydrophobicContact CH2-CB 4.47Å; W318-L401 HydrophobicContact CH2-CD2 3.89Å; W318-L401 HydrophobicContact CH2-CG 3.85Å; W318-L401 HydrophobicContact CZ2-CD2 4.34Å; W318-L404 HydrophobicContact CH2-CD1 3.99Å; W318-L404 HydrophobicContact CZ2-CD1 3.41Å; W318-L404 VanDerWaalsContact CZ2-CD1 3.41Å; W318-M425 PolarHBondContact NE1-O 3.37Å; W318-I428 HydrophobicContact CB-CG2 4Å; W318-I428 HydrophobicContact CG-CG2 3.9Å |
| 319 | F | 93 | Very high | 92.1 | Very high | 41 Ų | 41 | 37.8 Ų | 37.8 | 18% | 0.18 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.1 | 165.8 | -106.6 | 0 | 0 | 0 | 112.5 | T315 L316 A321 A322 G323 L324 F396 A399 | T315-F319 WeakPolarHBondContact O-CB 3.33Å; T315-F319 PolarHBondContact O-N 3.49Å; L316-F319 CarbonylContact O-C 3.19Å; L316-F319 WeakPolarHBondContact O-CA 3.27Å; L316-F319 WeakPolarHBondContact O-CB 3.11Å; L316-F319 PolarHBondContact O-N 3.26Å; F319-A321 PolarHBondContact O-N 2.91Å; F319-A322 PolarHBondContact O-N 3.17Å; F319-G323 WeakPolarHBondContact O-CA 3.47Å; F319-G323 PolarHBondContact O-N 3.15Å; F319-L324 HydrophobicContact CE1-CD1 4.3Å; F319-L324 HydrophobicContact CE1-CG 4.3Å; F319-L324 HydrophobicContact CZ-CD2 4.4Å; F319-L324 HydrophobicContact CZ-CG 4.3Å; F319-F396 HydrophobicContact CB-CB 4.23Å; F319-F396 HydrophobicContact CB-CD1 4.41Å; F319-F396 HydrophobicContact CD1-CD1 4.01Å; F319-F396 HydrophobicContact CD1-CE1 4.44Å; F319-F396 HydrophobicContact CG-CD1 4.29Å; F319-A399 HydrophobicContact CD2-CB 3.79Å; F319-A399 HydrophobicContact CE2-CB 3.68Å; F319-A399 HydrophobicContact CZ-CB 4.46Å |
| 320 | L | 92.5 | Very high | 91.9 | Very high | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.4 | -66.3 | 175.5 | 0 | 0 | 0 | 111.3 | L316 T317 L324 K325 W326 I331 | L316-L320 HydrophobicContact CD1-CD1 4.16Å; L316-L320 HydrophobicContact CD1-CD2 4.41Å; L316-L320 HydrophobicContact CD1-CG 4.07Å; L316-L320 HydrophobicContact CG-CD1 4.13Å; L316-L320 HydrophobicContact CG-CG 4.42Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.14Å; T317-L320 PolarHBondContact O-N 3.43Å; L320-L324 HydrophobicContact CD2-CD1 3.61Å; L320-L324 HydrophobicContact CD2-CG 4.44Å; L320-L324 CarbonylContact O-C 3.55Å; L320-L324 WeakPolarHBondContact O-CA 3.37Å; L320-L324 WeakPolarHBondContact O-CB 3.28Å; L320-L324 PolarHBondContact O-N 3.26Å; L320-K325 PolarHBondContact O-N 2.98Å; L320-K325 VanDerWaalsContact O-N 3.14Å; L320-W326 HydrophobicContact CB-CB 4.35Å; L320-W326 HydrophobicContact CB-CD2 4.23Å; L320-W326 HydrophobicContact CB-CE3 4.3Å; L320-W326 HydrophobicContact CB-CG 4.28Å; L320-W326 HydrophobicContact CD1-CE3 4.02Å; L320-W326 HydrophobicContact CD1-CZ3 4.06Å; L320-W326 HydrophobicContact CD2-CD2 4.37Å; L320-W326 HydrophobicContact CD2-CE3 4.49Å; L320-W326 HydrophobicContact CD2-CZ2 4.45Å; L320-W326 PolarHBondContact O-N 3.04Å; L320-I331 HydrophobicContact CB-CD1 4.47Å |
| 321 | A | 89.2 | Confident | 91.7 | Very high | 17 Ų | 17 | 39 Ų | 39 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P242 T317 W318 F319 K325 I331 | P242-A321 HydrophobicContact CG-CB 4.13Å; T317-A321 WeakPolarHBondContact O-CB 3.43Å; T317-A321 PolarHBondContact O-N 3.25Å; W318-A321 PolarHBondContact O-N 3.31Å; F319-A321 PolarHBondContact O-N 2.91Å; A321-K325 WeakPolarHBondContact O-CA 3.29Å; A321-K325 PolarHBondContact O-N 2.98Å; A321-I331 HydrophobicContact CB-CD1 4.19Å |
| 322 | A | 85 | Confident | 91.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -88.8 | -46.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | W318 F319 L404 I407 M425 | W318-A322 WeakPolarHBondContact O-CB 3.45Å; W318-A322 PolarHBondContact O-N 2.87Å; F319-A322 PolarHBondContact O-N 3.17Å; A322-L404 HydrophobicContact CB-CD1 4.23Å; A322-L404 HydrophobicContact CB-CD2 3.9Å; A322-L404 HydrophobicContact CB-CG 3.86Å; A322-I407 WeakPolarHBondContact O-CD1 3.3Å; A322-M425 HydrophobicContact CB-CE 3.28Å |
| 323 | G | 83.3 | Confident | 91.3 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -40.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F319 | F319-G323 WeakPolarHBondContact O-CA 3.47Å; F319-G323 PolarHBondContact O-N 3.15Å |
| 324 | L | 86.2 | Confident | 91.1 | Very high | 90 Ų | 90 | 51.4 Ų | 51.4 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -98.4 | -1.3 | -176.5 | -54.1 | -172.7 | 0 | 0 | 0 | 113.5 | F319 L320 W326 | F319-L324 HydrophobicContact CE1-CD1 4.3Å; F319-L324 HydrophobicContact CE1-CG 4.3Å; F319-L324 HydrophobicContact CZ-CD2 4.4Å; F319-L324 HydrophobicContact CZ-CG 4.3Å; L320-L324 HydrophobicContact CD2-CD1 3.61Å; L320-L324 HydrophobicContact CD2-CG 4.44Å; L320-L324 CarbonylContact O-C 3.55Å; L320-L324 WeakPolarHBondContact O-CA 3.37Å; L320-L324 WeakPolarHBondContact O-CB 3.28Å; L320-L324 PolarHBondContact O-N 3.26Å; L324-W326 HydrophobicContact CB-CG 4.4Å; L324-W326 PolarHBondContact O-N 3.48Å |
| 325 | K | 86.3 | Confident | 91.1 | Very high | 153 Ų | 153 | 52.6 Ų | 52.6 | 67% | 0.665 | 27% | 0.274 | S | S | * | . | trans | 56.7 | 32.3 | 179.6 | -55.6 | -179.5 | 179.2 | -179.3 | 0 | 113.4 | L320 A321 G327 I407 | L320-K325 PolarHBondContact O-N 2.98Å; L320-K325 VanDerWaalsContact O-N 3.14Å; A321-K325 WeakPolarHBondContact O-CA 3.29Å; A321-K325 PolarHBondContact O-N 2.98Å; K325-G327 PolarHBondContact O-N 3.37Å; K325-I407 HydrophobicContact CG-CD1 4.45Å | ||
| 326 | W | 89.7 | Confident | 91.1 | Very high | 94 Ų | 94 | 56.2 Ų | 56.2 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | trans | -68.2 | 132.7 | 176.9 | -73.9 | 22.9 | 0 | 0 | 0 | 110.6 | L320 L324 A330 I331 H334 | L320-W326 HydrophobicContact CB-CB 4.35Å; L320-W326 HydrophobicContact CB-CD2 4.23Å; L320-W326 HydrophobicContact CB-CE3 4.3Å; L320-W326 HydrophobicContact CB-CG 4.28Å; L320-W326 HydrophobicContact CD1-CE3 4.02Å; L320-W326 HydrophobicContact CD1-CZ3 4.06Å; L320-W326 HydrophobicContact CD2-CD2 4.37Å; L320-W326 HydrophobicContact CD2-CE3 4.49Å; L320-W326 HydrophobicContact CD2-CZ2 4.45Å; L320-W326 PolarHBondContact O-N 3.04Å; L324-W326 HydrophobicContact CB-CG 4.4Å; L324-W326 PolarHBondContact O-N 3.48Å; W326-A330 HydrophobicContact CB-CB 4.44Å; W326-A330 HydrophobicContact CE3-CB 4.3Å; W326-I331 HydrophobicContact CB-CD1 4.24Å; W326-I331 HydrophobicContact CB-CG1 3.93Å; W326-I331 HydrophobicContact CE3-CG1 3.99Å; W326-H334 AromaticContact CZ3-ND1 3.96Å | ||
| 327 | G | 87.8 | Confident | 91.1 | Very high | 43 Ų | 43 | 62.2 Ų | 62.2 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | trans | -73.6 | 166.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | K325 E329 A330 I331 | K325-G327 PolarHBondContact O-N 3.37Å; G327-E329 VanDerWaalsContact C-N 3.28Å; G327-E329 PolarHBondContact O-N 3.48Å; G327-A330 PolarHBondContact O-N 2.82Å; G327-I331 PolarHBondContact O-N 3.21Å | ||
| 328 | H | 88.6 | Confident | 91.3 | Very high | 88 Ų | 88 | 63.2 Ų | 63.2 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.3 | -37 | -179.3 | 67.6 | 84.3 | 0 | 0 | 0 | 112.7 | Y241 I331 E332 | Y241-H328 WeakPolarHBondContact O-CB 3.48Å; H328-I331 PolarHBondContact O-N 2.89Å; H328-E332 VanDerWaalsContact O-CB 3.27Å; H328-E332 WeakPolarHBondContact O-CB 3.42Å; H328-E332 PolarHBondContact O-N 3.2Å |
| 329 | E | 91.3 | Very high | 91.4 | Very high | 142 Ų | 142 | 65.2 Ų | 65.2 | 66% | 0.664 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 179.4 | -58 | -176.8 | 168 | 0 | 0 | 112.2 | G327 I331 E332 M333 | G327-E329 VanDerWaalsContact C-N 3.28Å; G327-E329 PolarHBondContact O-N 3.48Å; E329-I331 PolarHBondContact O-N 3.22Å; E329-E332 PolarHBondContact O-N 2.85Å; E329-M333 PolarHBondContact O-N 3.23Å |
| 330 | A | 92.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 68.5 Ų | 68.5 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W326 G327 H334 | W326-A330 HydrophobicContact CB-CB 4.44Å; W326-A330 HydrophobicContact CE3-CB 4.3Å; G327-A330 PolarHBondContact O-N 2.82Å; A330-H334 PolarHBondContact O-ND1 3.34Å |
| 331 | I | 94.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70 | -42.8 | 175.2 | -60.9 | 172.7 | 0 | 0 | 0 | 110.2 | Y241 P242 T317 L320 A321 W326 G327 H328 E329 M333 H334 F338 | Y241-I331 HydrophobicContact CD1-CG2 3.7Å; Y241-I331 HydrophobicContact CE1-CG2 4.49Å; Y241-I331 HydrophobicContact CG-CB 4.49Å; Y241-I331 HydrophobicContact CG-CG2 3.79Å; P242-I331 HydrophobicContact CB-CD1 4.46Å; T317-I331 HydrophobicContact CG2-CG2 3.68Å; L320-I331 HydrophobicContact CB-CD1 4.47Å; A321-I331 HydrophobicContact CB-CD1 4.19Å; W326-I331 HydrophobicContact CB-CD1 4.24Å; W326-I331 HydrophobicContact CB-CG1 3.93Å; W326-I331 HydrophobicContact CE3-CG1 3.99Å; G327-I331 PolarHBondContact O-N 3.21Å; H328-I331 PolarHBondContact O-N 2.89Å; E329-I331 PolarHBondContact O-N 3.22Å; I331-M333 VanDerWaalsContact C-N 3.3Å; I331-M333 PolarHBondContact O-N 3.4Å; I331-H334 PolarHBondContact O-N 3.32Å; I331-H334 VanDerWaalsContact O-N 3.07Å; I331-F338 HydrophobicContact CG2-CE2 3.85Å; I331-F338 HydrophobicContact CG2-CZ 4.39Å |
| 332 | E | 92.6 | Very high | 92.2 | Very high | 72 Ų | 72 | 68.6 Ų | 68.6 | 34% | 0.336 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.4 | -33.6 | -178.4 | -174.5 | 158.1 | -151.6 | 0 | 0 | 112.9 | Y241 R244 H328 E329 H334 S335 | Y241-E332 HydrophobicContact CD2-CB 3.86Å; Y241-E332 HydrophobicContact CD2-CG 4.12Å; Y241-E332 HydrophobicContact CE2-CB 4.38Å; Y241-E332 HydrophobicContact CE2-CG 4.27Å; R244-E332 IonicContact NH1-OE1 3.66Å; R244-E332 PolarHBondContact NH1-OE1 3.21Å; R244-E332 VanDerWaalsContact NH1-OE1 3.14Å; H328-E332 VanDerWaalsContact O-CB 3.27Å; H328-E332 WeakPolarHBondContact O-CB 3.42Å; H328-E332 PolarHBondContact O-N 3.2Å; E329-E332 PolarHBondContact O-N 2.85Å; E332-H334 PolarHBondContact O-N 2.87Å; E332-H334 VanDerWaalsContact O-N 3.11Å; E332-S335 WeakPolarHBondContact O-CB 3.49Å; E332-S335 PolarHBondContact O-N 3.43Å; E332-S335 PolarHBondContact O-OG 3.01Å |
| 333 | M | 94.3 | Very high | 92.9 | Very high | 152 Ų | 152 | 72 Ų | 72 | 75% | 0.749 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -27.7 | 172.8 | -172.7 | -177.5 | -67.5 | 0 | 0 | 113 | E329 I331 | E329-M333 PolarHBondContact O-N 3.23Å; I331-M333 VanDerWaalsContact C-N 3.3Å; I331-M333 PolarHBondContact O-N 3.4Å |
| 334 | H | 93.9 | Very high | 93.5 | Very high | 67 Ų | 67 | 73.1 Ų | 73.1 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 4.9 | -179.9 | -63.5 | 83.7 | 0 | 0 | 0 | 113.6 | W326 A330 I331 E332 S336 Y337 F338 | W326-H334 AromaticContact CZ3-ND1 3.96Å; A330-H334 PolarHBondContact O-ND1 3.34Å; I331-H334 PolarHBondContact O-N 3.32Å; I331-H334 VanDerWaalsContact O-N 3.07Å; E332-H334 PolarHBondContact O-N 2.87Å; E332-H334 VanDerWaalsContact O-N 3.11Å; H334-S336 VanDerWaalsContact C-N 3.25Å; H334-S336 PolarHBondContact O-N 3.21Å; H334-S336 VanDerWaalsContact O-N 3.16Å; H334-Y337 HydrophobicContact CB-CD2 4.43Å; H334-Y337 PolarHBondContact O-N 3.08Å; H334-Y337 VanDerWaalsContact O-N 3.08Å; H334-F338 HydrophobicContact CB-CE2 4.32Å; H334-F338 HydrophobicContact CB-CZ 3.99Å |
| 335 | S | 93.8 | Very high | 94.1 | Very high | 25 Ų | 25 | 72.1 Ų | 72.1 | 18% | 0.175 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.6 | -33 | -173.3 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | Y241 E332 Y337 F338 H339 | Y241-S335 WeakPolarHBondContact OH-CB 2.93Å; E332-S335 WeakPolarHBondContact O-CB 3.49Å; E332-S335 PolarHBondContact O-N 3.43Å; E332-S335 PolarHBondContact O-OG 3.01Å; S335-Y337 VanDerWaalsContact C-N 3.3Å; S335-Y337 PolarHBondContact O-N 3.27Å; S335-F338 WeakPolarHBondContact O-CB 3.27Å; S335-F338 PolarHBondContact O-N 2.89Å; S335-F338 VanDerWaalsContact O-N 3.17Å; S335-H339 PolarHBondContact O-CD2 3.38Å; S335-H339 PolarHBondContact O-N 2.78Å |
| 336 | S | 95.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 64.8 Ų | 64.8 | 54% | 0.538 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.5 | -40.7 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | H334 H339 I340 | H334-S336 VanDerWaalsContact C-N 3.25Å; H334-S336 PolarHBondContact O-N 3.21Å; H334-S336 VanDerWaalsContact O-N 3.16Å; S336-H339 PolarHBondContact O-N 3.1Å; S336-I340 VanDerWaalsContact O-CG1 3.28Å; S336-I340 WeakPolarHBondContact O-CG1 3.25Å; S336-I340 PolarHBondContact O-N 3.04Å |
| 337 | Y | 96.8 | Very high | 95.1 | Very high | 165 Ų | 165 | 61.8 Ų | 61.8 | 65% | 0.647 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.5 | -39.4 | 177.9 | -65.1 | -67.2 | 0 | 0 | 0 | 112 | H334 S335 H339 I340 A341 | H334-Y337 HydrophobicContact CB-CD2 4.43Å; H334-Y337 PolarHBondContact O-N 3.08Å; H334-Y337 VanDerWaalsContact O-N 3.08Å; S335-Y337 VanDerWaalsContact C-N 3.3Å; S335-Y337 PolarHBondContact O-N 3.27Å; Y337-H339 VanDerWaalsContact C-N 3.35Å; Y337-H339 PolarHBondContact O-N 2.97Å; Y337-I340 PolarHBondContact O-N 3.25Å; Y337-A341 WeakPolarHBondContact O-CB 3.32Å; Y337-A341 PolarHBondContact O-N 3.33Å |
| 338 | F | 96.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 64 Ų | 64 | 9% | 0.092 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 176.6 | -54.4 | -30 | 0 | 0 | 0 | 111.1 | Y241 I313 L316 T317 I331 H334 S335 A341 A342 | Y241-F338 HydrophobicContact CE1-CD2 4.08Å; Y241-F338 HydrophobicContact CE1-CE2 4.42Å; I313-F338 HydrophobicContact CD1-CB 4.05Å; I313-F338 WeakPolarHBondContact CD1-O 3.48Å; I313-F338 HydrophobicContact CG1-CB 4.4Å; I313-F338 HydrophobicContact CG2-CB 3.96Å; I313-F338 HydrophobicContact CG2-CD1 4.37Å; I313-F338 HydrophobicContact CG2-CD2 4.26Å; I313-F338 HydrophobicContact CG2-CG 3.95Å; L316-F338 HydrophobicContact CD2-CE1 4.09Å; T317-F338 HydrophobicContact CG2-CD2 4.43Å; T317-F338 HydrophobicContact CG2-CE2 3.91Å; T317-F338 HydrophobicContact CG2-CZ 4.15Å; I331-F338 HydrophobicContact CG2-CE2 3.85Å; I331-F338 HydrophobicContact CG2-CZ 4.39Å; H334-F338 HydrophobicContact CB-CE2 4.32Å; H334-F338 HydrophobicContact CB-CZ 3.99Å; S335-F338 WeakPolarHBondContact O-CB 3.27Å; S335-F338 PolarHBondContact O-N 2.89Å; S335-F338 VanDerWaalsContact O-N 3.17Å; F338-A341 PolarHBondContact O-N 3.44Å; F338-A342 VanDerWaalsContact O-CB 3.32Å; F338-A342 WeakPolarHBondContact O-CB 3.31Å; F338-A342 PolarHBondContact O-N 2.86Å |
| 339 | H | 96.4 | Very high | 96 | Very high | 45 Ų | 45 | 61 Ų | 61 | 21% | 0.208 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 177.2 | -79.8 | -68.8 | 0 | 0 | 0 | 113 | F248 W310 S335 S336 Y337 A341 A342 W343 | F248-H339 AromaticContact CD2-CE1 3.98Å; F248-H339 AromaticContact CE1-CE1 3.84Å; F248-H339 AromaticContact CE2-CE1 3.38Å; F248-H339 WeakPolarHBondContact CE2-CE1 3.47Å; F248-H339 AromaticContact CE2-NE2 3.69Å; F248-H339 AromaticContact CZ-CE1 3.32Å; F248-H339 WeakPolarHBondContact CZ-CE1 3.44Å; F248-H339 AromaticContact CZ-NE2 3.77Å; W310-H339 AromaticContact CH2-CE1 3.39Å; W310-H339 WeakPolarHBondContact CH2-CE1 3.44Å; W310-H339 AromaticContact CH2-CG 3.97Å; W310-H339 AromaticContact CH2-ND1 3.37Å; W310-H339 WeakPolarHBondContact CH2-ND1 3.45Å; W310-H339 AromaticContact CH2-NE2 3.98Å; W310-H339 AromaticContact CZ2-CE1 3.69Å; W310-H339 AromaticContact CZ2-ND1 3.44Å; W310-H339 WeakPolarHBondContact CZ2-ND1 3.32Å; S335-H339 PolarHBondContact O-CD2 3.38Å; S335-H339 PolarHBondContact O-N 2.78Å; S336-H339 PolarHBondContact O-N 3.1Å; Y337-H339 VanDerWaalsContact C-N 3.35Å; Y337-H339 PolarHBondContact O-N 2.97Å; H339-A341 PolarHBondContact O-N 3.23Å; H339-A342 PolarHBondContact O-N 3.11Å; H339-W343 AromaticContact ND1-NE1 3.59Å; H339-W343 WeakPolarHBondContact O-CB 3.21Å; H339-W343 PolarHBondContact O-N 2.79Å; H339-W343 VanDerWaalsContact O-N 3.12Å |
| 340 | I | 97.6 | Very high | 96.3 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 56% | 0.559 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.3 | -47.8 | 177.4 | -69.2 | 165.4 | 0 | 0 | 0 | 109.9 | S336 Y337 A344 | S336-I340 VanDerWaalsContact O-CG1 3.28Å; S336-I340 WeakPolarHBondContact O-CG1 3.25Å; S336-I340 PolarHBondContact O-N 3.04Å; Y337-I340 PolarHBondContact O-N 3.25Å; I340-A344 HydrophobicContact CG2-CB 4.41Å; I340-A344 WeakPolarHBondContact O-CB 3.22Å; I340-A344 PolarHBondContact O-N 2.95Å |
| 341 | A | 96.8 | Very high | 96.5 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y337 F338 H339 W343 I345 | Y337-A341 WeakPolarHBondContact O-CB 3.32Å; Y337-A341 PolarHBondContact O-N 3.33Å; F338-A341 PolarHBondContact O-N 3.44Å; H339-A341 PolarHBondContact O-N 3.23Å; A341-W343 VanDerWaalsContact C-N 3.3Å; A341-W343 PolarHBondContact O-N 3Å; A341-I345 HydrophobicContact CB-CD1 4.35Å; A341-I345 WeakPolarHBondContact O-CB 3.45Å; A341-I345 WeakPolarHBondContact O-CD1 3.37Å; A341-I345 VanDerWaalsContact O-CG1 3.31Å; A341-I345 WeakPolarHBondContact O-CG1 2.97Å; A341-I345 PolarHBondContact O-N 3.37Å |
| 342 | A | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -29.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | L309 W310 I313 F338 H339 P346 | L309-A342 HydrophobicContact CB-CB 4.45Å; W310-A342 HydrophobicContact CD2-CB 3.98Å; W310-A342 VanDerWaalsContact CE2-CB 3.48Å; W310-A342 HydrophobicContact CG-CB 4.39Å; W310-A342 HydrophobicContact CH2-CB 4.3Å; W310-A342 HydrophobicContact CZ2-CB 3.67Å; I313-A342 HydrophobicContact CD1-CB 3.75Å; F338-A342 VanDerWaalsContact O-CB 3.32Å; F338-A342 WeakPolarHBondContact O-CB 3.31Å; F338-A342 PolarHBondContact O-N 2.86Å; H339-A342 PolarHBondContact O-N 3.11Å; A342-P346 WeakPolarHBondContact O-CD 3.36Å; A342-P346 VanDerWaalsContact O-CG 3.23Å; A342-P346 WeakPolarHBondContact O-CG 3.39Å |
| 343 | W | 98.1 | Very high | 96.8 | Very high | 70 Ų | 70 | 56 Ų | 56 | 27% | 0.265 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -103.2 | -40.2 | -176.4 | -59.8 | 130.4 | 0 | 0 | 0 | 113.8 | C252 F302 A306 W310 H339 A341 P346 A347 | C252-W343 VanDerWaalsContact SG-CH2 3.52Å; F302-W343 AromaticContact CE1-CE3 3.9Å; F302-W343 HydrophobicContact CE1-CE3 3.9Å; F302-W343 AromaticContact CE1-CZ3 3.98Å; F302-W343 HydrophobicContact CE1-CZ3 3.98Å; F302-W343 AromaticContact CZ-CE3 3.86Å; F302-W343 HydrophobicContact CZ-CE3 3.86Å; F302-W343 HydrophobicContact CZ-CZ3 4.41Å; A306-W343 HydrophobicContact CB-CE3 3.9Å; A306-W343 HydrophobicContact CB-CZ3 3.56Å; W310-W343 HydrophobicContact CZ2-CZ2 4.11Å; W310-W343 AromaticContact CZ2-NE1 3.97Å; W310-W343 AromaticContact NE1-CE2 3.84Å; W310-W343 AromaticContact NE1-CH2 3.56Å; W310-W343 AromaticContact NE1-CZ2 3.4Å; H339-W343 AromaticContact ND1-NE1 3.59Å; H339-W343 WeakPolarHBondContact O-CB 3.21Å; H339-W343 PolarHBondContact O-N 2.79Å; H339-W343 VanDerWaalsContact O-N 3.12Å; A341-W343 VanDerWaalsContact C-N 3.3Å; A341-W343 PolarHBondContact O-N 3Å; W343-P346 WeakPolarHBondContact O-CD 3.31Å; W343-A347 VanDerWaalsContact O-CB 3.25Å; W343-A347 WeakPolarHBondContact O-CB 3.47Å; W343-A347 PolarHBondContact O-N 3.18Å; W343-A347 VanDerWaalsContact O-N 3.12Å |
| 344 | A | 97.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 50.7 Ų | 50.7 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.2 | -39.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I340 A347 V348 | I340-A344 HydrophobicContact CG2-CB 4.41Å; I340-A344 WeakPolarHBondContact O-CB 3.22Å; I340-A344 PolarHBondContact O-N 2.95Å; A344-A347 PolarHBondContact O-N 2.82Å; A344-V348 WeakPolarHBondContact O-CB 3.4Å; A344-V348 VanDerWaalsContact O-CG2 3.31Å; A344-V348 WeakPolarHBondContact O-CG2 3.41Å; A344-V348 PolarHBondContact O-N 2.85Å |
| 345 | I | 97.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 35% | 0.354 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.9 | -51 | -178.7 | -62.7 | 170.3 | 0 | 0 | 0 | 111.1 | L309 A341 A347 V348 K349 Y389 | L309-I345 HydrophobicContact CD1-CB 3.86Å; L309-I345 HydrophobicContact CD1-CD1 4.39Å; L309-I345 HydrophobicContact CD1-CG2 4.05Å; L309-I345 HydrophobicContact CD2-CD1 4.34Å; A341-I345 HydrophobicContact CB-CD1 4.35Å; A341-I345 WeakPolarHBondContact O-CB 3.45Å; A341-I345 WeakPolarHBondContact O-CD1 3.37Å; A341-I345 VanDerWaalsContact O-CG1 3.31Å; A341-I345 WeakPolarHBondContact O-CG1 2.97Å; A341-I345 PolarHBondContact O-N 3.37Å; I345-A347 VanDerWaalsContact C-N 3.33Å; I345-A347 PolarHBondContact O-N 2.02Å; I345-V348 PolarHBondContact O-N 3.34Å; I345-K349 HydrophobicContact CG2-CD 4.22Å; I345-K349 WeakPolarHBondContact O-CG 3.18Å; I345-K349 PolarHBondContact O-N 2.78Å; I345-K349 VanDerWaalsContact O-N 3.09Å; I345-Y389 WeakPolarHBondContact CG2-OH 3.09Å |
| 346 | P | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 173.9 | -26 | 38.3 | 0 | 0 | 0 | 113.2 | F302 M305 A306 L309 A342 W343 K349 T350 | F302-P346 HydrophobicContact CD2-CB 3.84Å; F302-P346 HydrophobicContact CE2-CB 3.99Å; F302-P346 HydrophobicContact CG-CB 4.45Å; M305-P346 HydrophobicContact CB-CB 3.91Å; M305-P346 HydrophobicContact CB-CG 3.94Å; A306-P346 HydrophobicContact CB-CG 4.03Å; L309-P346 HydrophobicContact CD1-CG 3.69Å; A342-P346 WeakPolarHBondContact O-CD 3.36Å; A342-P346 VanDerWaalsContact O-CG 3.23Å; A342-P346 WeakPolarHBondContact O-CG 3.39Å; W343-P346 WeakPolarHBondContact O-CD 3.31Å; P346-K349 PolarHBondContact O-N 3.1Å; P346-T350 VanDerWaalsContact O-CB 3.31Å; P346-T350 WeakPolarHBondContact O-CB 3.2Å; P346-T350 PolarHBondContact O-N 2.87Å; P346-T350 PolarHBondContact O-OG1 3.25Å |
| 347 | A | 98.2 | Very high | 96.6 | Very high | 31 Ų | 31 | 61 Ų | 61 | 26% | 0.256 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.1 | -51.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | F302 W343 A344 I345 K349 T350 I351 | F302-A347 HydrophobicContact CE2-CB 3.96Å; W343-A347 VanDerWaalsContact O-CB 3.25Å; W343-A347 WeakPolarHBondContact O-CB 3.47Å; W343-A347 PolarHBondContact O-N 3.18Å; W343-A347 VanDerWaalsContact O-N 3.12Å; A344-A347 PolarHBondContact O-N 2.82Å; I345-A347 VanDerWaalsContact C-N 3.33Å; I345-A347 PolarHBondContact O-N 2.02Å; A347-K349 PolarHBondContact O-N 3.44Å; A347-T350 WeakPolarHBondContact O-CB 3.41Å; A347-T350 PolarHBondContact O-N 2.67Å; A347-I351 VanDerWaalsContact O-CG1 3.28Å; A347-I351 WeakPolarHBondContact O-CG1 3.22Å; A347-I351 PolarHBondContact O-N 3.48Å |
| 348 | V | 98.3 | Very high | 96.4 | Very high | 88 Ų | 88 | 54.3 Ų | 54.3 | 53% | 0.533 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 178.8 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | A344 I345 T350 I351 V352 | A344-V348 WeakPolarHBondContact O-CB 3.4Å; A344-V348 VanDerWaalsContact O-CG2 3.31Å; A344-V348 WeakPolarHBondContact O-CG2 3.41Å; A344-V348 PolarHBondContact O-N 2.85Å; I345-V348 PolarHBondContact O-N 3.34Å; V348-T350 VanDerWaalsContact C-N 3.32Å; V348-T350 PolarHBondContact O-N 2.95Å; V348-I351 PolarHBondContact O-N 3.4Å; V348-V352 HydrophobicContact CG1-CG2 4.46Å; V348-V352 VanDerWaalsContact O-CG2 3.32Å; V348-V352 WeakPolarHBondContact O-CG2 3.32Å; V348-V352 PolarHBondContact O-N 3.5Å |
| 349 | K | 97.5 | Very high | 96.3 | Very high | 27 Ų | 27 | 53.4 Ų | 53.4 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 177 | -69.5 | 177.9 | 77 | -153.1 | 0 | 112.1 | Y301 M305 I345 P346 A347 V352 I353 F381 P385 | Y301-K349 HydrophobicContact CE1-CB 3.94Å; Y301-K349 WeakPolarHBondContact OH-CE 3.47Å; Y301-K349 PolarHBondContact OH-NZ 3.11Å; M305-K349 PolarHBondContact SD-NZ 3.39Å; I345-K349 HydrophobicContact CG2-CD 4.22Å; I345-K349 WeakPolarHBondContact O-CG 3.18Å; I345-K349 PolarHBondContact O-N 2.78Å; I345-K349 VanDerWaalsContact O-N 3.09Å; P346-K349 PolarHBondContact O-N 3.1Å; A347-K349 PolarHBondContact O-N 3.44Å; K349-V352 PolarHBondContact O-N 2.65Å; K349-I353 WeakPolarHBondContact O-CD1 3.4Å; K349-I353 WeakPolarHBondContact O-CG1 3.4Å; K349-I353 PolarHBondContact O-N 3.2Å; K349-F381 WeakPolarHBondContact CE-O 3.4Å; K349-F381 PolarHBondContact NZ-O 3Å; K349-P385 VanDerWaalsContact NZ-CG 3.25Å |
| 350 | T | 97.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 178.5 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | F297 L298 Y301 P346 A347 V348 I353 L354 | F297-T350 HydrophobicContact CE1-CG2 3.91Å; F297-T350 HydrophobicContact CZ-CG2 4.23Å; L298-T350 HydrophobicContact CD2-CG2 3.45Å; L298-T350 VanDerWaalsContact CD2-CG2 3.45Å; Y301-T350 WeakPolarHBondContact CD1-OG1 3.4Å; P346-T350 VanDerWaalsContact O-CB 3.31Å; P346-T350 WeakPolarHBondContact O-CB 3.2Å; P346-T350 PolarHBondContact O-N 2.87Å; P346-T350 PolarHBondContact O-OG1 3.25Å; A347-T350 WeakPolarHBondContact O-CB 3.41Å; A347-T350 PolarHBondContact O-N 2.67Å; V348-T350 VanDerWaalsContact C-N 3.32Å; V348-T350 PolarHBondContact O-N 2.95Å; T350-I353 PolarHBondContact O-N 3.33Å; T350-L354 HydrophobicContact CG2-CD1 4.24Å; T350-L354 WeakPolarHBondContact O-CG 3.3Å; T350-L354 PolarHBondContact O-N 3.49Å |
| 351 | I | 97.2 | Very high | 96 | Very high | 96 Ų | 96 | 46.3 Ų | 46.3 | 49% | 0.492 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 177.1 | -69 | 164 | 0 | 0 | 0 | 110.4 | A347 V348 I353 L354 I355 | A347-I351 VanDerWaalsContact O-CG1 3.28Å; A347-I351 WeakPolarHBondContact O-CG1 3.22Å; A347-I351 PolarHBondContact O-N 3.48Å; V348-I351 PolarHBondContact O-N 3.4Å; I351-I353 PolarHBondContact O-N 3.31Å; I351-L354 PolarHBondContact O-N 2.9Å; I351-I355 HydrophobicContact CG2-CD1 3.65Å; I351-I355 HydrophobicContact CG2-CG1 4.38Å; I351-I355 VanDerWaalsContact O-CG1 3.29Å; I351-I355 WeakPolarHBondContact O-CG1 3.05Å; I351-I355 PolarHBondContact O-N 3.27Å |
| 352 | V | 96.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | V348 K349 L354 I355 M356 F381 | V348-V352 HydrophobicContact CG1-CG2 4.46Å; V348-V352 VanDerWaalsContact O-CG2 3.32Å; V348-V352 WeakPolarHBondContact O-CG2 3.32Å; V348-V352 PolarHBondContact O-N 3.5Å; K349-V352 PolarHBondContact O-N 2.65Å; V352-L354 PolarHBondContact O-N 2.86Å; V352-I355 PolarHBondContact O-N 3.26Å; V352-M356 HydrophobicContact CG1-CE 3.75Å; V352-M356 HydrophobicContact CG1-CG 4.32Å; V352-M356 HydrophobicContact CG1-SD 3.74Å; V352-M356 WeakPolarHBondContact O-CB 3.5Å; V352-M356 VanDerWaalsContact O-CG 3.31Å; V352-M356 WeakPolarHBondContact O-CG 3.34Å; V352-M356 PolarHBondContact O-N 3.5Å; V352-F381 HydrophobicContact CB-CE1 4.42Å; V352-F381 HydrophobicContact CG1-CE1 3.78Å; V352-F381 HydrophobicContact CG1-CZ 3.78Å |
| 353 | I | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 178.1 | -73.3 | 159.6 | 0 | 0 | 0 | 112 | F297 Y301 K349 T350 I351 M356 R357 L358 V359 V370 F381 | F297-I353 HydrophobicContact CE1-CG2 4.27Å; F297-I353 HydrophobicContact CE2-CG2 3.8Å; F297-I353 HydrophobicContact CZ-CB 4.03Å; F297-I353 HydrophobicContact CZ-CD1 4.28Å; F297-I353 HydrophobicContact CZ-CG2 3.41Å; F297-I353 VanDerWaalsContact CZ-CG2 3.41Å; Y301-I353 HydrophobicContact CD1-CD1 4.03Å; Y301-I353 HydrophobicContact CD2-CD1 4.21Å; Y301-I353 HydrophobicContact CE1-CD1 3.41Å; Y301-I353 VanDerWaalsContact CE1-CD1 3.41Å; Y301-I353 HydrophobicContact CE2-CD1 3.62Å; Y301-I353 HydrophobicContact CG-CD1 4.4Å; Y301-I353 WeakPolarHBondContact OH-CD1 3.32Å; K349-I353 WeakPolarHBondContact O-CD1 3.4Å; K349-I353 WeakPolarHBondContact O-CG1 3.4Å; K349-I353 PolarHBondContact O-N 3.2Å; T350-I353 PolarHBondContact O-N 3.33Å; I351-I353 PolarHBondContact O-N 3.31Å; I353-M356 CarbonylContact O-C 3.59Å; I353-M356 PolarHBondContact O-N 2.7Å; I353-R357 PolarHBondContact O-N 2.96Å; I353-L358 HydrophobicContact CG2-CB 4.26Å; I353-L358 PolarHBondContact O-N 3.09Å; I353-L358 VanDerWaalsContact O-N 3.14Å; I353-V359 HydrophobicContact CG2-CG2 3.57Å; I353-V370 HydrophobicContact CD1-CB 4.32Å; I353-V370 HydrophobicContact CD1-CG1 4.22Å; I353-V370 HydrophobicContact CD1-CG2 4.22Å; I353-V370 HydrophobicContact CG1-CG2 4.19Å; I353-V370 HydrophobicContact CG2-CB 4.23Å; I353-V370 HydrophobicContact CG2-CG2 4.14Å; I353-F381 HydrophobicContact CD1-CB 3.98Å; I353-F381 HydrophobicContact CD1-CD1 3.92Å; I353-F381 HydrophobicContact CD1-CG 4Å; I353-F381 HydrophobicContact CG1-CB 4.3Å; I353-F381 HydrophobicContact CG1-CD1 3.7Å; I353-F381 HydrophobicContact CG1-CD2 4.23Å; I353-F381 HydrophobicContact CG1-CE1 4.04Å; I353-F381 HydrophobicContact CG1-CG 3.81Å; I353-F381 HydrophobicContact CG1-CZ 4.44Å |
| 354 | L | 94.4 | Very high | 95.5 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -42.5 | 178.6 | -71.9 | 172.6 | 0 | 0 | 0 | 111.7 | L288 F297 L298 T350 I351 V352 M356 R357 V359 | L288-L354 WeakPolarHBondContact CD1-O 3.45Å; L288-L354 HydrophobicContact CD2-CD2 4.44Å; F297-L354 HydrophobicContact CD1-CD2 4.03Å; F297-L354 HydrophobicContact CE1-CD2 3.73Å; F297-L354 HydrophobicContact CE1-CG 3.93Å; L298-L354 HydrophobicContact CD2-CD1 4.16Å; T350-L354 HydrophobicContact CG2-CD1 4.24Å; T350-L354 WeakPolarHBondContact O-CG 3.3Å; T350-L354 PolarHBondContact O-N 3.49Å; I351-L354 PolarHBondContact O-N 2.9Å; V352-L354 PolarHBondContact O-N 2.86Å; L354-M356 VanDerWaalsContact C-N 3.33Å; L354-R357 PolarHBondContact O-N 3Å; L354-R357 VanDerWaalsContact O-N 3.17Å; L354-V359 HydrophobicContact CD2-CG2 4.2Å |
| 355 | I | 94.3 | Very high | 95.4 | Very high | 130 Ų | 130 | 40.2 Ų | 40.2 | 67% | 0.667 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.2 | -42.2 | 176.5 | -69.7 | 170.1 | 0 | 0 | 0 | 110.7 | I351 V352 R357 | I351-I355 HydrophobicContact CG2-CD1 3.65Å; I351-I355 HydrophobicContact CG2-CG1 4.38Å; I351-I355 VanDerWaalsContact O-CG1 3.29Å; I351-I355 WeakPolarHBondContact O-CG1 3.05Å; I351-I355 PolarHBondContact O-N 3.27Å; V352-I355 PolarHBondContact O-N 3.26Å; I355-R357 PolarHBondContact O-N 3.06Å |
| 356 | M | 92.6 | Very high | 95.2 | Very high | 111 Ų | 111 | 36.9 Ų | 36.9 | 55% | 0.547 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -3 | 178.1 | -66.8 | -177.1 | 174.2 | 0 | 0 | 113.6 | V352 I353 L354 L358 F381 | V352-M356 HydrophobicContact CG1-CE 3.75Å; V352-M356 HydrophobicContact CG1-CG 4.32Å; V352-M356 HydrophobicContact CG1-SD 3.74Å; V352-M356 WeakPolarHBondContact O-CB 3.5Å; V352-M356 VanDerWaalsContact O-CG 3.31Å; V352-M356 WeakPolarHBondContact O-CG 3.34Å; V352-M356 PolarHBondContact O-N 3.5Å; I353-M356 CarbonylContact O-C 3.59Å; I353-M356 PolarHBondContact O-N 2.7Å; L354-M356 VanDerWaalsContact C-N 3.33Å; M356-L358 VanDerWaalsContact C-N 3.25Å; M356-L358 HydrophobicContact CB-CD1 3.75Å; M356-L358 HydrophobicContact CB-CD2 4.37Å; M356-L358 HydrophobicContact CB-CG 3.65Å; M356-L358 PolarHBondContact O-N 2.96Å; M356-L358 HydrophobicContact SD-CD1 4.09Å; M356-F381 HydrophobicContact SD-CE2 4.37Å; M356-F381 HydrophobicContact SD-CZ 3.97Å |
| 357 | R | 91.8 | Very high | 95.1 | Very high | 144 Ų | 144 | 37.1 Ų | 37.1 | 54% | 0.543 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.5 | -179.4 | -52.1 | -167.9 | -179.9 | -178 | 3.7 | 114.3 | E286 L288 I353 L354 I355 V359 | E286-R357 VanDerWaalsContact OE2-CD 3.23Å; E286-R357 WeakPolarHBondContact OE2-CD 3.49Å; E286-R357 IonicContact OE2-CZ 3.88Å; E286-R357 IonicContact OE2-NE 3.87Å; E286-R357 IonicContact OE2-NH1 3.52Å; E286-R357 PolarHBondContact OE2-NH1 3.17Å; L288-R357 HydrophobicContact CD1-CG 4.35Å; I353-R357 PolarHBondContact O-N 2.96Å; L354-R357 PolarHBondContact O-N 3Å; L354-R357 VanDerWaalsContact O-N 3.17Å; I355-R357 PolarHBondContact O-N 3.06Å; R357-V359 PolarHBondContact O-N 3.35Å |
| 358 | L | 93.4 | Very high | 95 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | trans | -87.9 | 21.8 | -176.5 | -54.7 | 173.2 | 0 | 0 | 0 | 113.4 | I353 M356 V370 G371 A377 F381 | I353-L358 HydrophobicContact CG2-CB 4.26Å; I353-L358 PolarHBondContact O-N 3.09Å; I353-L358 VanDerWaalsContact O-N 3.14Å; M356-L358 VanDerWaalsContact C-N 3.25Å; M356-L358 HydrophobicContact CB-CD1 3.75Å; M356-L358 HydrophobicContact CB-CD2 4.37Å; M356-L358 HydrophobicContact CB-CG 3.65Å; M356-L358 PolarHBondContact O-N 2.96Å; M356-L358 HydrophobicContact SD-CD1 4.09Å; L358-V370 HydrophobicContact CB-CG2 4.03Å; L358-V370 WeakPolarHBondContact O-CA 3.35Å; L358-V370 WeakPolarHBondContact O-CG2 3.25Å; L358-G371 PolarHBondContact O-N 3.41Å; L358-A377 HydrophobicContact CB-CB 4.21Å; L358-A377 HydrophobicContact CD1-CB 4Å; L358-A377 HydrophobicContact CD2-CB 4.34Å; L358-A377 HydrophobicContact CG-CB 4.42Å; L358-F381 HydrophobicContact CD1-CD2 3.93Å; L358-F381 HydrophobicContact CD1-CE2 3.42Å; L358-F381 VanDerWaalsContact CD1-CE2 3.42Å; L358-F381 HydrophobicContact CD1-CZ 4.25Å | ||
| 359 | V | 95.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.5 | -177.7 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | E286 G287 F297 I353 L354 R357 C368 | E286-V359 CarbonylContact C-O 3.39Å; G287-V359 PolarHBondContact N-O 2.98Å; F297-V359 HydrophobicContact CB-CG1 3.64Å; F297-V359 HydrophobicContact CD1-CG1 4.24Å; F297-V359 HydrophobicContact CD1-CG2 3.74Å; F297-V359 HydrophobicContact CD2-CB 4.47Å; F297-V359 HydrophobicContact CD2-CG1 3.91Å; F297-V359 HydrophobicContact CD2-CG2 3.78Å; F297-V359 HydrophobicContact CE1-CG2 3.75Å; F297-V359 HydrophobicContact CE2-CG2 3.78Å; F297-V359 HydrophobicContact CG-CB 4.38Å; F297-V359 HydrophobicContact CG-CG1 3.64Å; F297-V359 HydrophobicContact CG-CG2 3.76Å; F297-V359 HydrophobicContact CZ-CG2 3.77Å; I353-V359 HydrophobicContact CG2-CG2 3.57Å; L354-V359 HydrophobicContact CD2-CG2 4.2Å; R357-V359 PolarHBondContact O-N 3.35Å; V359-C368 HydrophobicContact CG1-CB 4.29Å |
| 360 | D | 93.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 154.7 | -175.4 | 61.4 | -62.3 | 0 | 0 | 0 | 111.7 | C368 Y369 G371 N372 Q373 | D360-C368 WeakPolarHBondContact O-CA 3.24Å; D360-Y369 PolarHBondContact N-O 3.31Å; D360-Y369 PolarHBondContact O-N 2.92Å; D360-Y369 VanDerWaalsContact O-O 3.06Å; D360-G371 PolarHBondContact OD1-N 3.46Å; D360-N372 PolarHBondContact O-ND2 2.94Å; D360-N372 PolarHBondContact OD1-N 2.91Å; D360-N372 VanDerWaalsContact OD1-N 3.11Å; D360-N372 VanDerWaalsContact OD2-C 3.27Å; D360-N372 VanDerWaalsContact OD2-CA 3.26Å; D360-N372 WeakPolarHBondContact OD2-CA 3.29Å; D360-N372 WeakPolarHBondContact OD2-CB 3.34Å; D360-N372 PolarHBondContact OD2-N 2.87Å; D360-N372 VanDerWaalsContact OD2-N 3.08Å; D360-Q373 WeakPolarHBondContact OD2-CB 3.21Å; D360-Q373 VanDerWaalsContact OD2-CG 3.3Å; D360-Q373 WeakPolarHBondContact OD2-CG 3.15Å; D360-Q373 PolarHBondContact OD2-N 2.64Å |
| 361 | A | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 150.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L283 V284 L367 | L283-A361 HydrophobicContact CD1-CB 3.64Å; L283-A361 WeakPolarHBondContact CD2-O 3.5Å; L283-A361 HydrophobicContact CG-CB 3.97Å; V284-A361 HydrophobicContact CB-CB 4.11Å; V284-A361 PolarHBondContact O-N 2.71Å; A361-L367 WeakPolarHBondContact CA-O 3.48Å |
| 362 | D | 93.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | trans | -102.5 | 132.4 | 172.5 | 169.1 | 77.5 | 0 | 0 | 0 | 110.8 | L364 T365 G366 L367 N372 Y464 | D362-L364 PolarHBondContact OD2-N 3.49Å; D362-T365 WeakPolarHBondContact OD2-CB 3.42Å; D362-T365 WeakPolarHBondContact OD2-CG2 3.32Å; D362-T365 PolarHBondContact OD2-N 2.81Å; D362-T365 PolarHBondContact OD2-OG1 3.43Å; D362-G366 WeakPolarHBondContact O-CA 3.34Å; D362-G366 PolarHBondContact O-N 2.73Å; D362-L367 PolarHBondContact N-O 3.32Å; D362-N372 HydrophobicContact CB-CB 4.39Å; D362-Y464 PolarHBondContact OD1-OH 3.29Å | ||
| 363 | D | 92.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 5% | 0.048 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -36.8 | -176.4 | 178.8 | 60.6 | 0 | 0 | 0 | 112.8 | L193 L201 Y202 K207 R268 L283 | L193-D363 HydrophobicContact CD2-CB 3.85Å; L201-D363 PolarHBondContact N-OD2 3.19Å; Y202-D363 PolarHBondContact N-OD2 3.32Å; K207-D363 VanDerWaalsContact CE-O 3.3Å; K207-D363 WeakPolarHBondContact CE-O 3.44Å; K207-D363 WeakPolarHBondContact CE-OD1 3.25Å; K207-D363 WeakPolarHBondContact CE-OD2 3.48Å; K207-D363 VanDerWaalsContact NZ-CG 3.29Å; K207-D363 IonicContact NZ-OD1 3.17Å; K207-D363 PolarHBondContact NZ-OD1 3.02Å; K207-D363 IonicContact NZ-OD2 3.69Å; K207-D363 PolarHBondContact NZ-OD2 2.89Å; K207-D363 VanDerWaalsContact NZ-OD2 3.16Å; R268-D363 PolarHBondContact NH1-O 2.8Å; L283-D363 HydrophobicContact CD2-CB 4.42Å |
| 364 | L | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -52.9 | -176.6 | 177.9 | 63.4 | 0 | 0 | 0 | 111.1 | Y202 A206 T210 R268 D362 Y464 V465 E468 M469 | Y202-L364 HydrophobicContact CD1-CD1 3.99Å; Y202-L364 HydrophobicContact CD2-CB 3.78Å; Y202-L364 HydrophobicContact CD2-CD1 4.23Å; Y202-L364 HydrophobicContact CE2-CB 3.94Å; Y202-L364 HydrophobicContact CG-CB 4.28Å; Y202-L364 HydrophobicContact CG-CD1 3.84Å; A206-L364 HydrophobicContact CB-CD1 4.3Å; T210-L364 HydrophobicContact CG2-CG 4.38Å; T210-L364 WeakPolarHBondContact OG1-CD1 3.5Å; R268-L364 PolarHBondContact NH1-O 3.35Å; R268-L364 PolarHBondContact NH2-O 2.72Å; D362-L364 PolarHBondContact OD2-N 3.49Å; L364-Y464 HydrophobicContact CB-CE1 4.4Å; L364-Y464 HydrophobicContact CD2-CD1 3.95Å; L364-Y464 HydrophobicContact CD2-CE1 3.88Å; L364-V465 HydrophobicContact CD1-CG2 4.13Å; L364-V465 HydrophobicContact CD2-CB 4.18Å; L364-V465 HydrophobicContact CD2-CG1 4.2Å; L364-V465 HydrophobicContact CD2-CG2 3.89Å; L364-E468 HydrophobicContact CD2-CB 4.28Å; L364-E468 HydrophobicContact CD2-CG 4.16Å; L364-M469 HydrophobicContact CD2-CE 4.24Å |
| 365 | T | 95.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -28.2 | -174 | 62.5 | 0 | 0 | 0 | 0 | 113 | T210 M214 R268 D362 L367 E468 I472 | T210-T365 HydrophobicContact CG2-CG2 3.95Å; M214-T365 HydrophobicContact SD-CG2 4.46Å; R268-T365 PolarHBondContact NH2-O 2.81Å; D362-T365 WeakPolarHBondContact OD2-CB 3.42Å; D362-T365 WeakPolarHBondContact OD2-CG2 3.32Å; D362-T365 PolarHBondContact OD2-N 2.81Å; D362-T365 PolarHBondContact OD2-OG1 3.43Å; T365-L367 PolarHBondContact O-N 3.48Å; T365-L367 PolarHBondContact OG1-N 2.93Å; T365-E468 HydrophobicContact CG2-CG 4.01Å; T365-I472 HydrophobicContact CG2-CD1 3.98Å |
| 366 | G | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | 67.7 | 19.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R263 D362 | R263-G366 WeakPolarHBondContact CG-O 3.5Å; D362-G366 WeakPolarHBondContact O-CA 3.34Å; D362-G366 PolarHBondContact O-N 2.73Å | ||
| 367 | L | 96 | Very high | 92.9 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | trans | -91.5 | 151.1 | 173.8 | -63.3 | 168.9 | 0 | 0 | 0 | 109.8 | M214 Y260 R263 V296 L300 A361 D362 T365 | M214-L367 HydrophobicContact SD-CD1 3.85Å; M214-L367 HydrophobicContact SD-CG 4.3Å; Y260-L367 HydrophobicContact CD1-CD1 3.86Å; Y260-L367 HydrophobicContact CD1-CD2 4.34Å; Y260-L367 HydrophobicContact CE1-CD1 3.53Å; R263-L367 HydrophobicContact CB-CD2 3.73Å; R263-L367 HydrophobicContact CG-CD2 3.8Å; V296-L367 HydrophobicContact CG1-CB 4.3Å; V296-L367 HydrophobicContact CG1-CD2 3.72Å; L300-L367 HydrophobicContact CD1-CB 4.18Å; L300-L367 HydrophobicContact CD1-CD1 4.24Å; L300-L367 HydrophobicContact CD1-CD2 4.24Å; L300-L367 HydrophobicContact CD1-CG 4.46Å; A361-L367 WeakPolarHBondContact CA-O 3.48Å; D362-L367 PolarHBondContact N-O 3.32Å; T365-L367 PolarHBondContact O-N 3.48Å; T365-L367 PolarHBondContact OG1-N 2.93Å | ||
| 368 | C | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.1 | 171.2 | -71.2 | 0 | 0 | 0 | 0 | 110.6 | C293 F297 V359 D360 | C293-C368 WeakPolarHBondContact CA-SG 3.33Å; C293-C368 HydrophobicContact CB-CB 3.94Å; C293-C368 WeakPolarHBondContact CB-SG 3.37Å; C293-C368 VanDerWaalsContact O-CB 3.25Å; C293-C368 WeakPolarHBondContact O-CB 2.92Å; C293-C368 WeakPolarHBondContact SG-CB 3.25Å; C293-C368 CovalentContact SG-SG 2.01Å; C293-C368 PolarHBondContact SG-SG 3.46Å; F297-C368 WeakPolarHBondContact CA-O 3.29Å; F297-C368 HydrophobicContact CB-CB 4.28Å; V359-C368 HydrophobicContact CG1-CB 4.29Å; D360-C368 WeakPolarHBondContact O-CA 3.24Å |
| 369 | Y | 96.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 26.7 Ų | 26.7 | 6% | 0.059 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 180 | -179.2 | -156 | -115.2 | 0 | 0 | 0 | 110.3 | L300 Y301 D360 V382 | L300-Y369 HydrophobicContact CB-CD2 3.99Å; L300-Y369 HydrophobicContact CB-CE2 4.02Å; L300-Y369 HydrophobicContact CD1-CD2 4.34Å; Y301-Y369 AromaticContact CD2-CE2 3.98Å; Y301-Y369 HydrophobicContact CD2-CE2 3.98Å; Y301-Y369 AromaticContact CD2-CZ 3.91Å; D360-Y369 PolarHBondContact N-O 3.31Å; D360-Y369 PolarHBondContact O-N 2.92Å; D360-Y369 VanDerWaalsContact O-O 3.06Å; Y369-V382 HydrophobicContact CE1-CG1 4.06Å; Y369-V382 HydrophobicContact CE1-CG2 3.66Å |
| 370 | V | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128.4 | 176.5 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | F297 Y301 I353 L358 A377 F381 V382 | F297-V370 HydrophobicContact CE2-CB 4.27Å; Y301-V370 HydrophobicContact CD2-CG1 3.62Å; Y301-V370 HydrophobicContact CE2-CG1 3.54Å; I353-V370 HydrophobicContact CD1-CB 4.32Å; I353-V370 HydrophobicContact CD1-CG1 4.22Å; I353-V370 HydrophobicContact CD1-CG2 4.22Å; I353-V370 HydrophobicContact CG1-CG2 4.19Å; I353-V370 HydrophobicContact CG2-CB 4.23Å; I353-V370 HydrophobicContact CG2-CG2 4.14Å; L358-V370 HydrophobicContact CB-CG2 4.03Å; L358-V370 WeakPolarHBondContact O-CA 3.35Å; L358-V370 WeakPolarHBondContact O-CG2 3.25Å; V370-A377 HydrophobicContact CG2-CB 4.08Å; V370-F381 HydrophobicContact CG1-CB 4.47Å; V370-F381 HydrophobicContact CG2-CB 4.25Å; V370-V382 HydrophobicContact CG1-CG2 3.36Å |
| 371 | G | 85.1 | Confident | 93.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 75.1 | 33.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L358 D360 Q374 L378 W453 | L358-G371 PolarHBondContact O-N 3.41Å; D360-G371 PolarHBondContact OD1-N 3.46Å; G371-Q374 WeakPolarHBondContact CA-O 3.41Å; G371-L378 WeakPolarHBondContact O-CB 3.42Å; G371-W453 WeakPolarHBondContact O-CH2 3.08Å |
| 372 | N | 88.9 | Confident | 93.7 | Very high | 31 Ų | 31 | 30.5 Ų | 30.5 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -70.7 | -27.4 | 170 | -55.9 | -51.3 | 0 | 0 | 0 | 111 | D360 D362 W453 | D360-N372 PolarHBondContact O-ND2 2.94Å; D360-N372 PolarHBondContact OD1-N 2.91Å; D360-N372 VanDerWaalsContact OD1-N 3.11Å; D360-N372 VanDerWaalsContact OD2-C 3.27Å; D360-N372 VanDerWaalsContact OD2-CA 3.26Å; D360-N372 WeakPolarHBondContact OD2-CA 3.29Å; D360-N372 WeakPolarHBondContact OD2-CB 3.34Å; D360-N372 PolarHBondContact OD2-N 2.87Å; D360-N372 VanDerWaalsContact OD2-N 3.08Å; D362-N372 HydrophobicContact CB-CB 4.39Å; N372-W453 VanDerWaalsContact O-CH2 3.31Å; N372-W453 WeakPolarHBondContact O-CH2 3.33Å |
| 373 | Q | 84.5 | Confident | 93.9 | Very high | 61 Ų | 61 | 30.3 Ų | 30.3 | 29% | 0.285 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -112.4 | -6.8 | 178.7 | -65.2 | 177.1 | 39.9 | 0 | 0 | 113.4 | D360 W453 | D360-Q373 WeakPolarHBondContact OD2-CB 3.21Å; D360-Q373 VanDerWaalsContact OD2-CG 3.3Å; D360-Q373 WeakPolarHBondContact OD2-CG 3.15Å; D360-Q373 PolarHBondContact OD2-N 2.64Å; Q373-W453 VanDerWaalsContact C-CZ2 3.5Å |
| 374 | Q | 89.5 | Confident | 94.2 | Very high | 93 Ų | 93 | 32.1 Ų | 32.1 | 44% | 0.435 | 18% | 0.175 | S | C | . | . | trans | -126.9 | 109.6 | -178.4 | -62.9 | -174.6 | 27.8 | 0 | 0 | 111.9 | G371 E376 A377 L378 | G371-Q374 WeakPolarHBondContact CA-O 3.41Å; Q374-E376 PolarHBondContact O-N 3.07Å; Q374-A377 HydrophobicContact CB-CB 4.02Å; Q374-A377 PolarHBondContact O-N 3.16Å; Q374-L378 PolarHBondContact O-N 2.93Å; Q374-L378 VanDerWaalsContact O-N 3.15Å | ||
| 375 | Q | 92.6 | Very high | 94.3 | Very high | 86 Ų | 86 | 33 Ų | 33 | 40% | 0.402 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61 | -40.9 | -177.5 | -169.6 | -174.1 | -35.7 | 0 | 0 | 112.9 | L378 T379 L450 W453 | Q375-L378 PolarHBondContact O-N 2.94Å; Q375-T379 WeakPolarHBondContact O-CB 3.32Å; Q375-T379 PolarHBondContact O-N 3.13Å; Q375-T379 PolarHBondContact O-OG1 3.23Å; Q375-L450 HydrophobicContact CG-CD2 3.49Å; Q375-L450 VanDerWaalsContact CG-CD2 3.49Å; Q375-W453 HydrophobicContact CB-CD2 4.13Å; Q375-W453 HydrophobicContact CB-CE3 4.5Å; Q375-W453 HydrophobicContact CB-CZ2 4.13Å; Q375-W453 HydrophobicContact CG-CD2 4.32Å |
| 376 | E | 93.9 | Very high | 94.4 | Very high | 175 Ų | 175 | 34 Ų | 34 | 82% | 0.818 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -65.1 | -43.4 | -178.5 | -63.4 | -174.1 | 178.4 | 0 | 0 | 111.7 | Q374 T379 G380 | Q374-E376 PolarHBondContact O-N 3.07Å; E376-T379 PolarHBondContact O-N 3.07Å; E376-G380 PolarHBondContact O-N 3.24Å |
| 377 | A | 94.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L358 V370 Q374 T379 F381 | L358-A377 HydrophobicContact CB-CB 4.21Å; L358-A377 HydrophobicContact CD1-CB 4Å; L358-A377 HydrophobicContact CD2-CB 4.34Å; L358-A377 HydrophobicContact CG-CB 4.42Å; V370-A377 HydrophobicContact CG2-CB 4.08Å; Q374-A377 HydrophobicContact CB-CB 4.02Å; Q374-A377 PolarHBondContact O-N 3.16Å; A377-T379 PolarHBondContact O-N 3.25Å; A377-F381 WeakPolarHBondContact O-CB 3.43Å; A377-F381 PolarHBondContact O-N 3.31Å |
| 378 | L | 95.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 176.4 | -176.2 | 59.2 | 0 | 0 | 0 | 111.7 | G371 Q374 Q375 V382 V383 Y446 L450 W453 | G371-L378 WeakPolarHBondContact O-CB 3.42Å; Q374-L378 PolarHBondContact O-N 2.93Å; Q374-L378 VanDerWaalsContact O-N 3.15Å; Q375-L378 PolarHBondContact O-N 2.94Å; L378-V382 HydrophobicContact CD1-CB 4Å; L378-V382 HydrophobicContact CD1-CG1 4.42Å; L378-V382 HydrophobicContact CD1-CG2 3.95Å; L378-V382 WeakPolarHBondContact O-CA 3.5Å; L378-V382 VanDerWaalsContact O-CB 3.25Å; L378-V382 WeakPolarHBondContact O-CB 3.37Å; L378-V382 PolarHBondContact O-N 3.41Å; L378-V382 VanDerWaalsContact O-N 3.08Å; L378-V383 PolarHBondContact O-N 3.05Å; L378-V383 VanDerWaalsContact O-N 3.1Å; L378-Y446 HydrophobicContact CD1-CD1 3.96Å; L378-Y446 HydrophobicContact CD1-CE1 3.79Å; L378-Y446 HydrophobicContact CD2-CD1 4.39Å; L378-L450 HydrophobicContact CD2-CD2 3.88Å; L378-L450 HydrophobicContact CD2-CG 4.3Å; L378-L450 HydrophobicContact CG-CD2 4.38Å; L378-W453 HydrophobicContact CD2-CZ3 3.89Å |
| 379 | T | 96.3 | Very high | 94.8 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -64 | -50.4 | -179.3 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | Q375 E376 A377 V383 A384 | Q375-T379 WeakPolarHBondContact O-CB 3.32Å; Q375-T379 PolarHBondContact O-N 3.13Å; Q375-T379 PolarHBondContact O-OG1 3.23Å; E376-T379 PolarHBondContact O-N 3.07Å; A377-T379 PolarHBondContact O-N 3.25Å; T379-V383 PolarHBondContact O-N 3.48Å; T379-A384 WeakPolarHBondContact O-CB 3.24Å; T379-A384 PolarHBondContact O-N 3.05Å |
| 380 | G | 96.9 | Very high | 94.9 | Very high | 43 Ų | 43 | 41 Ų | 41 | 44% | 0.443 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -73.8 | -41.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | E376 P385 | E376-G380 PolarHBondContact O-N 3.24Å; G380-P385 WeakPolarHBondContact O-CD 3.24Å; G380-P385 WeakPolarHBondContact O-CG 3.3Å |
| 381 | F | 97.7 | Very high | 95 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 19% | 0.193 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -95 | -19.3 | -173.5 | -71.2 | -75.2 | 0 | 0 | 0 | 114.4 | Y301 M305 K349 V352 I353 M356 L358 V370 A377 | Y301-F381 PolarHBondContact OH-O 2.95Å; M305-F381 WeakPolarHBondContact CE-O 3.4Å; K349-F381 WeakPolarHBondContact CE-O 3.4Å; K349-F381 PolarHBondContact NZ-O 3Å; V352-F381 HydrophobicContact CB-CE1 4.42Å; V352-F381 HydrophobicContact CG1-CE1 3.78Å; V352-F381 HydrophobicContact CG1-CZ 3.78Å; I353-F381 HydrophobicContact CD1-CB 3.98Å; I353-F381 HydrophobicContact CD1-CD1 3.92Å; I353-F381 HydrophobicContact CD1-CG 4Å; I353-F381 HydrophobicContact CG1-CB 4.3Å; I353-F381 HydrophobicContact CG1-CD1 3.7Å; I353-F381 HydrophobicContact CG1-CD2 4.23Å; I353-F381 HydrophobicContact CG1-CE1 4.04Å; I353-F381 HydrophobicContact CG1-CG 3.81Å; I353-F381 HydrophobicContact CG1-CZ 4.44Å; M356-F381 HydrophobicContact SD-CE2 4.37Å; M356-F381 HydrophobicContact SD-CZ 3.97Å; L358-F381 HydrophobicContact CD1-CD2 3.93Å; L358-F381 HydrophobicContact CD1-CE2 3.42Å; L358-F381 VanDerWaalsContact CD1-CE2 3.42Å; L358-F381 HydrophobicContact CD1-CZ 4.25Å; V370-F381 HydrophobicContact CG1-CB 4.47Å; V370-F381 HydrophobicContact CG2-CB 4.25Å; A377-F381 WeakPolarHBondContact O-CB 3.43Å; A377-F381 PolarHBondContact O-N 3.31Å |
| 382 | V | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -116.2 | -65.3 | -176.3 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | Y301 M305 Y369 V370 L378 P385 L386 Y446 | Y301-V382 HydrophobicContact CE2-CG2 4.16Å; M305-V382 HydrophobicContact CE-CB 4.42Å; M305-V382 HydrophobicContact CE-CG1 4.24Å; Y369-V382 HydrophobicContact CE1-CG1 4.06Å; Y369-V382 HydrophobicContact CE1-CG2 3.66Å; V370-V382 HydrophobicContact CG1-CG2 3.36Å; L378-V382 HydrophobicContact CD1-CB 4Å; L378-V382 HydrophobicContact CD1-CG1 4.42Å; L378-V382 HydrophobicContact CD1-CG2 3.95Å; L378-V382 WeakPolarHBondContact O-CA 3.5Å; L378-V382 VanDerWaalsContact O-CB 3.25Å; L378-V382 WeakPolarHBondContact O-CB 3.37Å; L378-V382 PolarHBondContact O-N 3.41Å; L378-V382 VanDerWaalsContact O-N 3.08Å; V382-P385 WeakPolarHBondContact O-CD 3.4Å; V382-L386 HydrophobicContact CG1-CD1 3.8Å; V382-L386 WeakPolarHBondContact O-CB 3.3Å; V382-L386 VanDerWaalsContact O-CG 3.22Å; V382-L386 WeakPolarHBondContact O-CG 3.35Å; V382-L386 PolarHBondContact O-N 3.5Å; V382-Y446 HydrophobicContact CG1-CD2 4.42Å; V382-Y446 HydrophobicContact CG1-CE1 4.28Å; V382-Y446 HydrophobicContact CG1-CE2 3.79Å |
| 383 | V | 97.9 | Very high | 96 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -67.3 | -51.2 | -169.2 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | L378 T379 L386 A387 Y446 L447 L450 | L378-V383 PolarHBondContact O-N 3.05Å; L378-V383 VanDerWaalsContact O-N 3.1Å; T379-V383 PolarHBondContact O-N 3.48Å; V383-L386 PolarHBondContact O-N 3.32Å; V383-A387 VanDerWaalsContact O-CB 3.3Å; V383-A387 WeakPolarHBondContact O-CB 3.34Å; V383-A387 PolarHBondContact O-N 2.91Å; V383-Y446 HydrophobicContact CG2-CG 4.06Å; V383-L447 HydrophobicContact CG1-CD2 4.02Å; V383-L450 HydrophobicContact CG2-CD1 3.91Å |
| 384 | A | 98 | Very high | 96.6 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T379 T388 | T379-A384 WeakPolarHBondContact O-CB 3.24Å; T379-A384 PolarHBondContact O-N 3.05Å; A384-T388 WeakPolarHBondContact O-CB 3.41Å; A384-T388 PolarHBondContact O-N 3.5Å; A384-T388 PolarHBondContact O-OG1 3.29Å |
| 385 | P | 98.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.5 | -46 | 173.7 | -28.7 | 38.5 | 0 | 0 | 0 | 113.6 | K349 G380 V382 A387 T388 Y389 | K349-P385 VanDerWaalsContact NZ-CG 3.25Å; G380-P385 WeakPolarHBondContact O-CD 3.24Å; G380-P385 WeakPolarHBondContact O-CG 3.3Å; V382-P385 WeakPolarHBondContact O-CD 3.4Å; P385-A387 PolarHBondContact O-N 3.16Å; P385-T388 PolarHBondContact O-N 3.46Å; P385-Y389 HydrophobicContact CB-CE2 4.21Å; P385-Y389 WeakPolarHBondContact O-CD1 3.39Å; P385-Y389 VanDerWaalsContact O-CD2 3.29Å; P385-Y389 WeakPolarHBondContact O-CD2 3.23Å; P385-Y389 PolarHBondContact O-N 2.77Å |
| 386 | L | 98.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.9 | -70.7 | 177.7 | 0 | 0 | 0 | 111.9 | M305 S308 V382 V383 Y389 L390 I443 Y446 | M305-L386 HydrophobicContact CE-CD2 4.46Å; M305-L386 HydrophobicContact CE-CG 4.31Å; M305-L386 HydrophobicContact SD-CD2 4.3Å; S308-L386 WeakPolarHBondContact OG-CD2 3.27Å; V382-L386 HydrophobicContact CG1-CD1 3.8Å; V382-L386 WeakPolarHBondContact O-CB 3.3Å; V382-L386 VanDerWaalsContact O-CG 3.22Å; V382-L386 WeakPolarHBondContact O-CG 3.35Å; V382-L386 PolarHBondContact O-N 3.5Å; V383-L386 PolarHBondContact O-N 3.32Å; L386-Y389 PolarHBondContact O-N 3.38Å; L386-L390 WeakPolarHBondContact O-CB 3.47Å; L386-L390 PolarHBondContact O-N 3.2Å; L386-I443 HydrophobicContact CB-CD1 4.07Å; L386-I443 HydrophobicContact CB-CG1 4.01Å; L386-Y446 HydrophobicContact CD1-CE2 4.11Å |
| 387 | A | 98.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 38 Ų | 38 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V383 P385 L390 L391 | V383-A387 VanDerWaalsContact O-CB 3.3Å; V383-A387 WeakPolarHBondContact O-CB 3.34Å; V383-A387 PolarHBondContact O-N 2.91Å; P385-A387 PolarHBondContact O-N 3.16Å; A387-L390 PolarHBondContact O-N 3.47Å; A387-L391 WeakPolarHBondContact O-CB 3.3Å; A387-L391 PolarHBondContact O-N 3.43Å |
| 388 | T | 98.3 | Very high | 97 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 44% | 0.442 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.3 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | A384 P385 L391 I392 | A384-T388 WeakPolarHBondContact O-CB 3.41Å; A384-T388 PolarHBondContact O-N 3.5Å; A384-T388 PolarHBondContact O-OG1 3.29Å; P385-T388 PolarHBondContact O-N 3.46Å; T388-L391 PolarHBondContact O-N 3.43Å; T388-I392 HydrophobicContact CG2-CD1 3.81Å; T388-I392 HydrophobicContact CG2-CG1 4.49Å; T388-I392 VanDerWaalsContact O-CG1 3.28Å; T388-I392 WeakPolarHBondContact O-CG1 3.43Å; T388-I392 PolarHBondContact O-N 2.72Å |
| 389 | Y | 98.2 | Very high | 96.9 | Very high | 23 Ų | 23 | 43 Ų | 43 | 9% | 0.09 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 177.2 | -59.5 | -21.6 | 0 | 0 | 0 | 111.2 | M305 L309 W311 V312 I345 P385 L386 L391 I392 G393 | M305-Y389 HydrophobicContact SD-CE2 4.26Å; L309-Y389 HydrophobicContact CD2-CD1 4.04Å; L309-Y389 HydrophobicContact CD2-CE1 3.68Å; L309-Y389 HydrophobicContact CD2-CE2 4.27Å; L309-Y389 HydrophobicContact CG-CD2 4.46Å; L309-Y389 HydrophobicContact CG-CE1 4.3Å; L309-Y389 HydrophobicContact CG-CE2 4Å; W311-Y389 WeakPolarHBondContact CZ3-O 3.4Å; V312-Y389 HydrophobicContact CG2-CG 4.46Å; V312-Y389 WeakPolarHBondContact CG2-O 3.33Å; I345-Y389 WeakPolarHBondContact CG2-OH 3.09Å; P385-Y389 HydrophobicContact CB-CE2 4.21Å; P385-Y389 WeakPolarHBondContact O-CD1 3.39Å; P385-Y389 VanDerWaalsContact O-CD2 3.29Å; P385-Y389 WeakPolarHBondContact O-CD2 3.23Å; P385-Y389 PolarHBondContact O-N 2.77Å; L386-Y389 PolarHBondContact O-N 3.38Å; Y389-L391 VanDerWaalsContact C-N 3.32Å; Y389-L391 PolarHBondContact O-N 3Å; Y389-I392 PolarHBondContact O-N 2.75Å; Y389-G393 PolarHBondContact O-N 3.45Å |
| 390 | L | 97.7 | Very high | 96.6 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 177.2 | -174.4 | 64.9 | 0 | 0 | 0 | 111.4 | W311 L386 A387 T394 T436 A439 I443 | W311-L390 HydrophobicContact CH2-CD1 3.81Å; W311-L390 HydrophobicContact CZ2-CD1 4.45Å; W311-L390 HydrophobicContact CZ3-CD1 4.22Å; L386-L390 WeakPolarHBondContact O-CB 3.47Å; L386-L390 PolarHBondContact O-N 3.2Å; A387-L390 PolarHBondContact O-N 3.47Å; L390-T394 HydrophobicContact CD1-CG2 4.13Å; L390-T394 HydrophobicContact CG-CG2 4.36Å; L390-T394 WeakPolarHBondContact O-CB 3.25Å; L390-T394 WeakPolarHBondContact O-CG2 3.38Å; L390-T394 PolarHBondContact O-N 3.19Å; L390-T394 PolarHBondContact O-OG1 3.14Å; L390-T436 HydrophobicContact CD1-CG2 4.42Å; L390-A439 HydrophobicContact CD1-CB 4.09Å; L390-I443 HydrophobicContact CB-CD1 4.08Å; L390-I443 HydrophobicContact CD2-CD1 3.69Å |
| 391 | L | 98.1 | Very high | 96.2 | Very high | 104 Ų | 104 | 41.4 Ų | 41.4 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -51 | 177.2 | -178.9 | 65.5 | 0 | 0 | 0 | 111.4 | A387 T388 Y389 G393 T394 L395 | A387-L391 WeakPolarHBondContact O-CB 3.3Å; A387-L391 PolarHBondContact O-N 3.43Å; T388-L391 PolarHBondContact O-N 3.43Å; Y389-L391 VanDerWaalsContact C-N 3.32Å; Y389-L391 PolarHBondContact O-N 3Å; L391-G393 PolarHBondContact O-N 3.42Å; L391-T394 WeakPolarHBondContact CA-OG1 3.36Å; L391-T394 PolarHBondContact O-N 2.78Å; L391-T394 PolarHBondContact O-OG1 2.98Å; L391-L395 HydrophobicContact CG-CD1 4.27Å; L391-L395 VanDerWaalsContact O-CG 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.47Å; L391-L395 PolarHBondContact O-N 3.31Å |
| 392 | I | 98.1 | Very high | 95.8 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 35% | 0.349 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 179.9 | -67.4 | 168.9 | 0 | 0 | 0 | 110.9 | V312 T388 Y389 L395 F396 | V312-I392 HydrophobicContact CG1-CG2 3.8Å; T388-I392 HydrophobicContact CG2-CD1 3.81Å; T388-I392 HydrophobicContact CG2-CG1 4.49Å; T388-I392 VanDerWaalsContact O-CG1 3.28Å; T388-I392 WeakPolarHBondContact O-CG1 3.43Å; T388-I392 PolarHBondContact O-N 2.72Å; Y389-I392 PolarHBondContact O-N 2.75Å; I392-L395 PolarHBondContact O-N 2.87Å; I392-F396 HydrophobicContact CG2-CD2 4.01Å; I392-F396 HydrophobicContact CG2-CE2 3.51Å; I392-F396 HydrophobicContact CG2-CZ 4.31Å; I392-F396 WeakPolarHBondContact O-CD2 3.46Å; I392-F396 PolarHBondContact O-N 3.46Å; I392-F396 VanDerWaalsContact O-N 3.15Å |
| 393 | G | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -37.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | T315 Y389 L391 L395 F396 I397 | T315-G393 VanDerWaalsContact OG1-CA 3.24Å; T315-G393 WeakPolarHBondContact OG1-CA 3.49Å; Y389-G393 PolarHBondContact O-N 3.45Å; L391-G393 PolarHBondContact O-N 3.42Å; G393-L395 VanDerWaalsContact C-N 3.35Å; G393-F396 PolarHBondContact O-N 2.92Å; G393-I397 WeakPolarHBondContact O-CG1 3.34Å; G393-I397 PolarHBondContact O-N 2.89Å |
| 394 | T | 95.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 174.6 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | W311 L390 L391 F396 I397 C398 T436 | W311-T394 HydrophobicContact CH2-CG2 4.3Å; L390-T394 HydrophobicContact CD1-CG2 4.13Å; L390-T394 HydrophobicContact CG-CG2 4.36Å; L390-T394 WeakPolarHBondContact O-CB 3.25Å; L390-T394 WeakPolarHBondContact O-CG2 3.38Å; L390-T394 PolarHBondContact O-N 3.19Å; L390-T394 PolarHBondContact O-OG1 3.14Å; L391-T394 WeakPolarHBondContact CA-OG1 3.36Å; L391-T394 PolarHBondContact O-N 2.78Å; L391-T394 PolarHBondContact O-OG1 2.98Å; T394-F396 PolarHBondContact O-N 3.44Å; T394-I397 PolarHBondContact O-N 3.26Å; T394-C398 PolarHBondContact O-N 2.91Å; T394-C398 PolarHBondContact O-SG 3.42Å; T394-C398 VanDerWaalsContact O-SG 3.35Å; T394-T436 HydrophobicContact CG2-CG2 3.95Å |
| 395 | L | 96.8 | Very high | 93.7 | Very high | 105 Ų | 105 | 50.7 Ų | 50.7 | 55% | 0.55 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 172.1 | -70.7 | 171.1 | 0 | 0 | 0 | 111.9 | L391 I392 G393 C398 A399 | L391-L395 HydrophobicContact CG-CD1 4.27Å; L391-L395 VanDerWaalsContact O-CG 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.47Å; L391-L395 PolarHBondContact O-N 3.31Å; I392-L395 PolarHBondContact O-N 2.87Å; G393-L395 VanDerWaalsContact C-N 3.35Å; L395-C398 PolarHBondContact O-N 3.36Å; L395-A399 WeakPolarHBondContact O-CB 3.44Å; L395-A399 PolarHBondContact O-N 3.36Å |
| 396 | F | 96.1 | Very high | 92.9 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 174.2 | -70.5 | -48.5 | 0 | 0 | 0 | 112.7 | V312 L316 F319 I392 G393 T394 A399 G400 | V312-F396 HydrophobicContact CG1-CE2 4.48Å; L316-F396 HydrophobicContact CB-CD2 3.98Å; L316-F396 HydrophobicContact CB-CE2 3.96Å; L316-F396 HydrophobicContact CB-CZ 4.46Å; L316-F396 HydrophobicContact CD1-CD1 4.28Å; L316-F396 HydrophobicContact CD1-CE1 3.79Å; L316-F396 HydrophobicContact CD1-CE2 4.05Å; L316-F396 HydrophobicContact CD1-CZ 3.68Å; L316-F396 HydrophobicContact CG-CE2 4.48Å; F319-F396 HydrophobicContact CB-CB 4.23Å; F319-F396 HydrophobicContact CB-CD1 4.41Å; F319-F396 HydrophobicContact CD1-CD1 4.01Å; F319-F396 HydrophobicContact CD1-CE1 4.44Å; F319-F396 HydrophobicContact CG-CD1 4.29Å; I392-F396 HydrophobicContact CG2-CD2 4.01Å; I392-F396 HydrophobicContact CG2-CE2 3.51Å; I392-F396 HydrophobicContact CG2-CZ 4.31Å; I392-F396 WeakPolarHBondContact O-CD2 3.46Å; I392-F396 PolarHBondContact O-N 3.46Å; I392-F396 VanDerWaalsContact O-N 3.15Å; G393-F396 PolarHBondContact O-N 2.92Å; T394-F396 PolarHBondContact O-N 3.44Å; F396-A399 PolarHBondContact O-N 2.89Å; F396-G400 PolarHBondContact O-N 2.95Å |
| 397 | I | 93.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -49.7 | 174 | -69.3 | 169.4 | 0 | 0 | 0 | 110.2 | W311 T315 W318 G393 T394 A399 G400 L401 V433 T436 | W311-I397 HydrophobicContact CZ2-CD1 3.83Å; T315-I397 HydrophobicContact CG2-CD1 3.71Å; T315-I397 HydrophobicContact CG2-CG1 3.64Å; W318-I397 WeakPolarHBondContact CZ3-O 3.29Å; G393-I397 WeakPolarHBondContact O-CG1 3.34Å; G393-I397 PolarHBondContact O-N 2.89Å; T394-I397 PolarHBondContact O-N 3.26Å; I397-A399 PolarHBondContact O-N 3.35Å; I397-G400 PolarHBondContact O-N 2.81Å; I397-L401 HydrophobicContact CG2-CD1 3.94Å; I397-L401 HydrophobicContact CG2-CG 4.29Å; I397-L401 WeakPolarHBondContact O-CB 3.18Å; I397-L401 VanDerWaalsContact O-CG 3.3Å; I397-L401 WeakPolarHBondContact O-CG 3.39Å; I397-L401 PolarHBondContact O-N 2.82Å; I397-V433 HydrophobicContact CG2-CG2 4.08Å; I397-T436 HydrophobicContact CD1-CG2 3.9Å |
| 398 | C | 92.9 | Very high | 90.6 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 51% | 0.507 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 178.7 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | T394 L395 G400 L401 V402 | T394-C398 PolarHBondContact O-N 2.91Å; T394-C398 PolarHBondContact O-SG 3.42Å; T394-C398 VanDerWaalsContact O-SG 3.35Å; L395-C398 PolarHBondContact O-N 3.36Å; C398-G400 PolarHBondContact O-N 2.85Å; C398-L401 PolarHBondContact O-N 3.47Å; C398-V402 WeakPolarHBondContact O-CG2 3.28Å; C398-V402 PolarHBondContact O-N 3.02Å |
| 399 | A | 92.9 | Very high | 89.5 | Confident | 40 Ų | 40 | 62 Ų | 62 | 33% | 0.331 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F319 L395 F396 I397 A403 | F319-A399 HydrophobicContact CD2-CB 3.79Å; F319-A399 HydrophobicContact CE2-CB 3.68Å; F319-A399 HydrophobicContact CZ-CB 4.46Å; L395-A399 WeakPolarHBondContact O-CB 3.44Å; L395-A399 PolarHBondContact O-N 3.36Å; F396-A399 PolarHBondContact O-N 2.89Å; I397-A399 PolarHBondContact O-N 3.35Å; A399-A403 WeakPolarHBondContact O-CB 3.21Å; A399-A403 PolarHBondContact O-N 2.84Å |
| 400 | G | 89.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.5 | -35.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | W318 F396 I397 C398 A403 L404 | W318-G400 VanDerWaalsContact CH2-C 3.44Å; F396-G400 PolarHBondContact O-N 2.95Å; I397-G400 PolarHBondContact O-N 2.81Å; C398-G400 PolarHBondContact O-N 2.85Å; G400-A403 PolarHBondContact O-N 2.74Å; G400-L404 WeakPolarHBondContact O-CB 2.94Å; G400-L404 WeakPolarHBondContact O-CG 3.5Å; G400-L404 PolarHBondContact O-N 2.53Å |
| 401 | L | 89.1 | Confident | 86.5 | Confident | 64 Ų | 64 | 66 Ų | 66 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 173.6 | -74.6 | 175.7 | 0 | 0 | 0 | 110.8 | W318 I397 C398 A403 L404 F405 | W318-L401 HydrophobicContact CH2-CB 4.47Å; W318-L401 HydrophobicContact CH2-CD2 3.89Å; W318-L401 HydrophobicContact CH2-CG 3.85Å; W318-L401 HydrophobicContact CZ2-CD2 4.34Å; I397-L401 HydrophobicContact CG2-CD1 3.94Å; I397-L401 HydrophobicContact CG2-CG 4.29Å; I397-L401 WeakPolarHBondContact O-CB 3.18Å; I397-L401 VanDerWaalsContact O-CG 3.3Å; I397-L401 WeakPolarHBondContact O-CG 3.39Å; I397-L401 PolarHBondContact O-N 2.82Å; C398-L401 PolarHBondContact O-N 3.47Å; L401-A403 VanDerWaalsContact C-N 3.29Å; L401-A403 PolarHBondContact O-N 3.5Å; L401-L404 PolarHBondContact O-N 3.48Å; L401-F405 HydrophobicContact CB-CE2 4.4Å; L401-F405 WeakPolarHBondContact O-CD2 3.33Å; L401-F405 PolarHBondContact O-N 2.9Å |
| 402 | V | 89.6 | Confident | 84.8 | Confident | 102 Ų | 102 | 68 Ų | 68 | 62% | 0.618 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.5 | -44.2 | 177 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | C398 F405 K406 | C398-V402 WeakPolarHBondContact O-CG2 3.28Å; C398-V402 PolarHBondContact O-N 3.02Å; V402-F405 PolarHBondContact O-N 3.22Å; V402-K406 WeakPolarHBondContact O-CB 3.49Å; V402-K406 PolarHBondContact O-N 2.95Å |
| 403 | A | 85.6 | Confident | 83.1 | Confident | 19 Ų | 19 | 72.6 Ų | 72.6 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.5 | -38.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | A399 G400 L401 K406 I407 | A399-A403 WeakPolarHBondContact O-CB 3.21Å; A399-A403 PolarHBondContact O-N 2.84Å; G400-A403 PolarHBondContact O-N 2.74Å; L401-A403 VanDerWaalsContact C-N 3.29Å; L401-A403 PolarHBondContact O-N 3.5Å; A403-K406 PolarHBondContact O-N 3.35Å; A403-I407 VanDerWaalsContact O-CG1 3.29Å; A403-I407 WeakPolarHBondContact O-CG1 3.26Å; A403-I407 PolarHBondContact O-N 3.13Å |
| 404 | L | 80.8 | Confident | 81.3 | Confident | 32 Ų | 32 | 78.7 Ų | 78.7 | 17% | 0.168 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 172.8 | -79.4 | 174.7 | 0 | 0 | 0 | 112.2 | W318 A322 G400 L401 K406 I407 R408 M425 | W318-L404 HydrophobicContact CH2-CD1 3.99Å; W318-L404 HydrophobicContact CZ2-CD1 3.41Å; W318-L404 VanDerWaalsContact CZ2-CD1 3.41Å; A322-L404 HydrophobicContact CB-CD1 4.23Å; A322-L404 HydrophobicContact CB-CD2 3.9Å; A322-L404 HydrophobicContact CB-CG 3.86Å; G400-L404 WeakPolarHBondContact O-CB 2.94Å; G400-L404 WeakPolarHBondContact O-CG 3.5Å; G400-L404 PolarHBondContact O-N 2.53Å; L401-L404 PolarHBondContact O-N 3.48Å; L404-K406 VanDerWaalsContact C-N 3.34Å; L404-K406 PolarHBondContact O-N 3.27Å; L404-I407 PolarHBondContact O-N 3.2Å; L404-R408 WeakPolarHBondContact O-CB 3.3Å; L404-R408 PolarHBondContact O-N 3.4Å; L404-M425 HydrophobicContact CD2-CE 3.59Å; L404-M425 HydrophobicContact CD2-SD 4.41Å |
| 405 | F | 82.7 | Confident | 79.5 | Confident | 143 Ų | 143 | 80.2 Ų | 80.2 | 63% | 0.627 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | 177.4 | -75.3 | -61.8 | 0 | 0 | 0 | 111.9 | L401 V402 R408 S409 | L401-F405 HydrophobicContact CB-CE2 4.4Å; L401-F405 WeakPolarHBondContact O-CD2 3.33Å; L401-F405 PolarHBondContact O-N 2.9Å; V402-F405 PolarHBondContact O-N 3.22Å; F405-R408 PolarHBondContact O-N 2.95Å; F405-S409 WeakPolarHBondContact O-CB 3.33Å; F405-S409 PolarHBondContact O-N 3.48Å |
| 406 | K | 82.1 | Confident | 77.8 | Confident | 147 Ų | 147 | 77.8 Ų | 77.8 | 64% | 0.639 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 175.8 | -170.9 | 174.5 | -178.3 | 177.4 | 0 | 112 | V402 A403 L404 N410 | V402-K406 WeakPolarHBondContact O-CB 3.49Å; V402-K406 PolarHBondContact O-N 2.95Å; A403-K406 PolarHBondContact O-N 3.35Å; L404-K406 VanDerWaalsContact C-N 3.34Å; L404-K406 PolarHBondContact O-N 3.27Å; K406-N410 PolarHBondContact O-N 3.31Å; K406-N410 PolarHBondContact O-ND2 3.3Å |
| 407 | I | 74.9 | Confident | 76.1 | Confident | 47 Ų | 47 | 85 Ų | 85 | 24% | 0.241 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 176.8 | -68.3 | 165.6 | 0 | 0 | 0 | 110.2 | A322 K325 A403 L404 S409 N410 L411 | A322-I407 WeakPolarHBondContact O-CD1 3.3Å; K325-I407 HydrophobicContact CG-CD1 4.45Å; A403-I407 VanDerWaalsContact O-CG1 3.29Å; A403-I407 WeakPolarHBondContact O-CG1 3.26Å; A403-I407 PolarHBondContact O-N 3.13Å; L404-I407 PolarHBondContact O-N 3.2Å; I407-S409 VanDerWaalsContact C-N 3.34Å; I407-S409 PolarHBondContact O-N 3.04Å; I407-N410 PolarHBondContact O-N 3.43Å; I407-N410 VanDerWaalsContact O-N 3.15Å; I407-L411 WeakPolarHBondContact O-CB 3.4Å; I407-L411 PolarHBondContact O-N 3.26Å |
| 408 | R | 73.5 | Confident | 74.6 | Confident | 127 Ų | 127 | 87 Ų | 87 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | -178.9 | -175.9 | 171.4 | 171.4 | 167.1 | -4.7 | 112.7 | L404 F405 N410 L411 Q412 E422 | L404-R408 WeakPolarHBondContact O-CB 3.3Å; L404-R408 PolarHBondContact O-N 3.4Å; F405-R408 PolarHBondContact O-N 2.95Å; R408-N410 VanDerWaalsContact C-N 3.29Å; R408-N410 PolarHBondContact O-N 3.48Å; R408-L411 PolarHBondContact O-N 2.9Å; R408-Q412 WeakPolarHBondContact O-CB 3.46Å; R408-Q412 WeakPolarHBondContact O-CG 3.35Å; R408-Q412 PolarHBondContact O-N 3.24Å; R408-Q412 VanDerWaalsContact O-N 3.07Å; R408-E422 IonicContact CZ-OE1 3.16Å; R408-E422 IonicContact NE-OE1 2.74Å; R408-E422 IonicContact NH1-OE1 2.85Å |
| 409 | S | 73.3 | Confident | 73.5 | Confident | 69 Ų | 69 | 87.9 Ų | 87.9 | 48% | 0.483 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 175.4 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | F405 I407 | F405-S409 WeakPolarHBondContact O-CB 3.33Å; F405-S409 PolarHBondContact O-N 3.48Å; I407-S409 VanDerWaalsContact C-N 3.34Å; I407-S409 PolarHBondContact O-N 3.04Å |
| 410 | N | 70.6 | Confident | 72.5 | Confident | 86 Ų | 86 | 95 Ų | 95 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -80.9 | -39.5 | 177 | -69.5 | -20.2 | 0 | 0 | 0 | 112.2 | K406 I407 R408 Q412 K413 | K406-N410 PolarHBondContact O-N 3.31Å; K406-N410 PolarHBondContact O-ND2 3.3Å; I407-N410 PolarHBondContact O-N 3.43Å; I407-N410 VanDerWaalsContact O-N 3.15Å; R408-N410 VanDerWaalsContact C-N 3.29Å; R408-N410 PolarHBondContact O-N 3.48Å; N410-Q412 PolarHBondContact O-N 2.93Å; N410-K413 WeakPolarHBondContact O-CB 3.33Å; N410-K413 PolarHBondContact O-N 3.07Å; N410-K413 VanDerWaalsContact O-N 3.15Å |
| 411 | L | 63.5 | Low | 71.5 | Confident | 50 Ų | 50 | 100.3 Ų | 100.3 | 26% | 0.262 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.9 | -27.7 | -175.4 | -145.4 | 94.1 | 0 | 0 | 0 | 113.3 | I407 R408 K413 D414 G415 T418 | I407-L411 WeakPolarHBondContact O-CB 3.4Å; I407-L411 PolarHBondContact O-N 3.26Å; R408-L411 PolarHBondContact O-N 2.9Å; L411-K413 PolarHBondContact O-N 3.11Å; L411-K413 VanDerWaalsContact O-N 3.1Å; L411-D414 PolarHBondContact O-N 3.01Å; L411-G415 PolarHBondContact O-N 2.96Å; L411-T418 HydrophobicContact CD2-CG2 3.88Å; L411-T418 WeakPolarHBondContact CD2-OG1 3.47Å |
| 412 | Q | 61.8 | Low | 70.7 | Confident | 148 Ų | 148 | 100.1 Ų | 100.1 | 69% | 0.692 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16 | 170.7 | -86.2 | -179.5 | -33 | 0 | 0 | 113.1 | R408 N410 | R408-Q412 WeakPolarHBondContact O-CB 3.46Å; R408-Q412 WeakPolarHBondContact O-CG 3.35Å; R408-Q412 PolarHBondContact O-N 3.24Å; R408-Q412 VanDerWaalsContact O-N 3.07Å; N410-Q412 PolarHBondContact O-N 2.93Å |
| 413 | K | 62.4 | Low | 70.1 | Confident | 163 Ų | 163 | 104.3 Ų | 104.3 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -21.9 | 174.6 | -58.3 | -179.5 | -179.9 | 176.4 | 0 | 113.4 | N410 L411 | N410-K413 WeakPolarHBondContact O-CB 3.33Å; N410-K413 PolarHBondContact O-N 3.07Å; N410-K413 VanDerWaalsContact O-N 3.15Å; L411-K413 PolarHBondContact O-N 3.11Å; L411-K413 VanDerWaalsContact O-N 3.1Å |
| 414 | D | 59.2 | Low | 69.5 | Low | 128 Ų | 128 | 105.8 Ų | 105.8 | 68% | 0.684 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 0.6 | -166.2 | -69.2 | -19 | 0 | 0 | 0 | 115 | L411 A416 | L411-D414 PolarHBondContact O-N 3.01Å; D414-A416 VanDerWaalsContact C-N 3.26Å; D414-A416 PolarHBondContact O-N 3.05Å; D414-A416 VanDerWaalsContact O-N 3.09Å |
| 415 | G | 58.9 | Low | 69.4 | Low | 76 Ų | 76 | 105.1 Ų | 105.1 | 78% | 0.784 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 18 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | L411 | L411-G415 PolarHBondContact O-N 2.96Š|
| 416 | A | 59.9 | Low | 69.3 | Low | 53 Ų | 53 | 101.8 Ų | 101.8 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | trans | -81.1 | 136.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D414 T418 | D414-A416 VanDerWaalsContact C-N 3.26Å; D414-A416 PolarHBondContact O-N 3.05Å; D414-A416 VanDerWaalsContact O-N 3.09Å; A416-T418 PolarHBondContact O-N 3.19Å | ||
| 417 | K | 59.9 | Low | 69.4 | Low | 206 Ų | 206 | 99.3 Ų | 99.3 | 90% | 0.896 | 50% | 0.503 | S | S | * | . | trans | -75.9 | 83 | 176.8 | -75.9 | -178.3 | 176.8 | 175.3 | 0 | 112.2 | ||||
| 418 | T | 64.1 | Low | 69.8 | Low | 53 Ų | 53 | 97.1 Ų | 97.1 | 33% | 0.325 | 49% | 0.492 | S | S | . | . | trans | -103.6 | 10.7 | 174.2 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | L411 A416 K420 L421 E422 | L411-T418 HydrophobicContact CD2-CG2 3.88Å; L411-T418 WeakPolarHBondContact CD2-OG1 3.47Å; A416-T418 PolarHBondContact O-N 3.19Å; T418-K420 VanDerWaalsContact C-N 3.28Å; T418-K420 PolarHBondContact O-N 3.31Å; T418-L421 PolarHBondContact O-N 3.4Å; T418-L421 VanDerWaalsContact O-N 3.12Å; T418-E422 PolarHBondContact O-N 3.38Å; T418-E422 VanDerWaalsContact O-N 3.11Å | ||
| 419 | D | 68.6 | Low | 70.3 | Confident | 92 Ų | 92 | 91.4 Ų | 91.4 | 49% | 0.492 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -52.8 | -35 | -167.4 | -59.8 | -5.7 | 0 | 0 | 0 | 115.7 | R423 | D419-R423 WeakPolarHBondContact O-CB 3.12Å; D419-R423 WeakPolarHBondContact O-CG 3.48Å; D419-R423 PolarHBondContact O-N 3.45Å; D419-R423 VanDerWaalsContact O-N 3.1Å |
| 420 | K | 72.1 | Confident | 70.9 | Confident | 191 Ų | 191 | 92 Ų | 92 | 83% | 0.83 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.9 | -43.2 | -178.4 | -72.4 | -176.3 | -177.6 | 173.6 | 0 | 112.3 | T418 L424 | T418-K420 VanDerWaalsContact C-N 3.28Å; T418-K420 PolarHBondContact O-N 3.31Å; K420-L424 PolarHBondContact O-N 3.04Å |
| 421 | L | 68.6 | Low | 71.6 | Confident | 110 Ų | 110 | 88.5 Ų | 88.5 | 58% | 0.576 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.7 | -42.4 | 179.9 | -173.6 | 64.3 | 0 | 0 | 0 | 109.7 | T418 R423 L424 M425 | T418-L421 PolarHBondContact O-N 3.4Å; T418-L421 VanDerWaalsContact O-N 3.12Å; L421-R423 PolarHBondContact O-N 2.87Å; L421-L424 WeakPolarHBondContact O-CB 3.01Å; L421-L424 PolarHBondContact O-N 2.9Å; L421-M425 HydrophobicContact CD1-SD 4.3Å; L421-M425 HydrophobicContact CD2-SD 4.39Å; L421-M425 HydrophobicContact CG-SD 3.73Å; L421-M425 WeakPolarHBondContact O-CG 3.19Å; L421-M425 PolarHBondContact O-N 3.37Å; L421-M425 VanDerWaalsContact O-SD 3.42Å |
| 422 | E | 72.4 | Confident | 72.6 | Confident | 61 Ų | 61 | 86.1 Ų | 86.1 | 29% | 0.285 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 176 | -172.1 | 178 | 173.8 | 0 | 0 | 112.1 | R408 T418 L424 M425 V426 | R408-E422 IonicContact CZ-OE1 3.16Å; R408-E422 IonicContact NE-OE1 2.74Å; R408-E422 IonicContact NH1-OE1 2.85Å; T418-E422 PolarHBondContact O-N 3.38Å; T418-E422 VanDerWaalsContact O-N 3.11Å; E422-L424 VanDerWaalsContact C-N 3.3Å; E422-L424 PolarHBondContact O-N 2.89Å; E422-M425 PolarHBondContact O-N 2.94Å; E422-V426 HydrophobicContact CG-CG2 4.41Å; E422-V426 WeakPolarHBondContact O-CB 3.36Å; E422-V426 VanDerWaalsContact O-CG2 3.3Å; E422-V426 WeakPolarHBondContact O-CG2 3.33Å; E422-V426 PolarHBondContact O-N 2.87Å |
| 423 | R | 77.4 | Confident | 73.7 | Confident | 190 Ų | 190 | 82 Ų | 82 | 72% | 0.717 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.3 | -40.3 | 175.9 | -77 | 174.5 | -169.5 | -144.4 | 4.3 | 112.5 | D419 L421 K427 | D419-R423 WeakPolarHBondContact O-CB 3.12Å; D419-R423 WeakPolarHBondContact O-CG 3.48Å; D419-R423 PolarHBondContact O-N 3.45Å; D419-R423 VanDerWaalsContact O-N 3.1Å; L421-R423 PolarHBondContact O-N 2.87Å; R423-K427 WeakPolarHBondContact O-CB 3.49Å; R423-K427 PolarHBondContact O-N 3.26Å |
| 424 | L | 73.8 | Confident | 74.9 | Confident | 49 Ų | 49 | 79 Ų | 79 | 26% | 0.257 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 177.3 | 174.6 | 58.4 | 0 | 0 | 0 | 111.1 | E243 K420 L421 E422 K427 I428 | E243-L424 HydrophobicContact CG-CD1 4.06Å; E243-L424 WeakPolarHBondContact OE1-CD1 3.29Å; K420-L424 PolarHBondContact O-N 3.04Å; L421-L424 WeakPolarHBondContact O-CB 3.01Å; L421-L424 PolarHBondContact O-N 2.9Å; E422-L424 VanDerWaalsContact C-N 3.3Å; E422-L424 PolarHBondContact O-N 2.89Å; L424-K427 WeakPolarHBondContact O-CB 3.46Å; L424-K427 PolarHBondContact O-N 3.09Å; L424-I428 HydrophobicContact CD1-CD1 3.94Å; L424-I428 HydrophobicContact CD1-CG1 4.2Å; L424-I428 HydrophobicContact CG-CD1 4.1Å; L424-I428 WeakPolarHBondContact O-CG1 3.03Å; L424-I428 PolarHBondContact O-N 3.48Å |
| 425 | M | 78.2 | Confident | 76.4 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 9% | 0.089 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | -177.8 | -63.4 | 161.6 | 84.2 | 0 | 0 | 112.3 | W318 A322 L404 L421 E422 K427 I428 G429 | W318-M425 PolarHBondContact NE1-O 3.37Å; A322-M425 HydrophobicContact CB-CE 3.28Å; L404-M425 HydrophobicContact CD2-CE 3.59Å; L404-M425 HydrophobicContact CD2-SD 4.41Å; L421-M425 HydrophobicContact CD1-SD 4.3Å; L421-M425 HydrophobicContact CD2-SD 4.39Å; L421-M425 HydrophobicContact CG-SD 3.73Å; L421-M425 WeakPolarHBondContact O-CG 3.19Å; L421-M425 PolarHBondContact O-N 3.37Å; L421-M425 VanDerWaalsContact O-SD 3.42Å; E422-M425 PolarHBondContact O-N 2.94Å; M425-K427 VanDerWaalsContact C-N 3.33Å; M425-I428 PolarHBondContact O-N 3.4Å; M425-G429 PolarHBondContact O-N 3.15Å |
| 426 | V | 80.5 | Confident | 78 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 172.4 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | E422 I428 G429 V430 | E422-V426 HydrophobicContact CG-CG2 4.41Å; E422-V426 WeakPolarHBondContact O-CB 3.36Å; E422-V426 VanDerWaalsContact O-CG2 3.3Å; E422-V426 WeakPolarHBondContact O-CG2 3.33Å; E422-V426 PolarHBondContact O-N 2.87Å; V426-I428 PolarHBondContact O-N 2.86Å; V426-G429 PolarHBondContact O-N 3.39Å; V426-V430 HydrophobicContact CG1-CG2 4.37Å; V426-V430 WeakPolarHBondContact O-CG2 3.25Å; V426-V430 PolarHBondContact O-N 2.75Å |
| 427 | K | 84.6 | Confident | 79.7 | Confident | 95 Ų | 95 | 72.5 Ų | 72.5 | 41% | 0.413 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 178.6 | -162.2 | -162.3 | 167.1 | -157.6 | 0 | 111.6 | R423 L424 M425 V430 F431 W485 | R423-K427 WeakPolarHBondContact O-CB 3.49Å; R423-K427 PolarHBondContact O-N 3.26Å; L424-K427 WeakPolarHBondContact O-CB 3.46Å; L424-K427 PolarHBondContact O-N 3.09Å; M425-K427 VanDerWaalsContact C-N 3.33Å; K427-V430 PolarHBondContact O-N 3.28Å; K427-F431 PolarHBondContact O-N 2.98Å; K427-W485 HydrophobicContact CB-CH2 3.83Å; K427-W485 HydrophobicContact CB-CZ3 4.17Å; K427-W485 HydrophobicContact CD-CE3 4.23Å; K427-W485 HydrophobicContact CD-CH2 3.32Å; K427-W485 HydrophobicContact CD-CZ2 3.81Å; K427-W485 HydrophobicContact CD-CZ3 3.57Å; K427-W485 HydrophobicContact CG-CE3 4.38Å; K427-W485 HydrophobicContact CG-CH2 3.46Å; K427-W485 VanDerWaalsContact CG-CH2 3.46Å; K427-W485 HydrophobicContact CG-CZ2 4.42Å; K427-W485 HydrophobicContact CG-CZ3 3.44Å; K427-W485 VanDerWaalsContact CG-CZ3 3.44Å; K427-W485 PolarHBondContact NZ-O 2.82Å; K427-W485 VanDerWaalsContact NZ-O 3.17Å; K427-W485 WeakPolarHBondContact O-CZ3 3.11Å |
| 428 | I | 83.1 | Confident | 81.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 178.5 | -62.7 | 171.8 | 0 | 0 | 0 | 110.9 | P242 E243 L314 W318 L424 M425 V426 F431 S432 W485 | P242-I428 HydrophobicContact CG-CD1 3.79Å; E243-I428 HydrophobicContact CG-CD1 3.92Å; E243-I428 HydrophobicContact CG-CG1 4.48Å; L314-I428 HydrophobicContact CD1-CG2 3.99Å; W318-I428 HydrophobicContact CB-CG2 4Å; W318-I428 HydrophobicContact CG-CG2 3.9Å; L424-I428 HydrophobicContact CD1-CD1 3.94Å; L424-I428 HydrophobicContact CD1-CG1 4.2Å; L424-I428 HydrophobicContact CG-CD1 4.1Å; L424-I428 WeakPolarHBondContact O-CG1 3.03Å; L424-I428 PolarHBondContact O-N 3.48Å; M425-I428 PolarHBondContact O-N 3.4Å; V426-I428 PolarHBondContact O-N 2.86Å; I428-F431 PolarHBondContact O-N 3.31Å; I428-S432 WeakPolarHBondContact O-CB 3.41Å; I428-S432 PolarHBondContact O-N 3.47Å; I428-S432 PolarHBondContact O-OG 3.25Å; I428-W485 HydrophobicContact CB-CH2 4.29Å; I428-W485 HydrophobicContact CG1-CH2 3.53Å; I428-W485 HydrophobicContact CG1-CZ2 3.88Å |
| 429 | G | 83 | Confident | 82.9 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M425 V426 F431 S432 V433 | M425-G429 PolarHBondContact O-N 3.15Å; V426-G429 PolarHBondContact O-N 3.39Å; G429-F431 PolarHBondContact O-N 3.32Å; G429-S432 PolarHBondContact O-N 3.31Å; G429-V433 WeakPolarHBondContact O-CG2 3.35Å; G429-V433 PolarHBondContact O-N 3.32Å |
| 430 | V | 85.9 | Confident | 84.3 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176 | 171 | 0 | 0 | 0 | 0 | 111.1 | V426 K427 S432 V433 L434 | V426-V430 HydrophobicContact CG1-CG2 4.37Å; V426-V430 WeakPolarHBondContact O-CG2 3.25Å; V426-V430 PolarHBondContact O-N 2.75Å; K427-V430 PolarHBondContact O-N 3.28Å; V430-S432 VanDerWaalsContact C-N 3.32Å; V430-S432 PolarHBondContact O-N 3.01Å; V430-V433 PolarHBondContact O-N 3.42Å; V430-L434 HydrophobicContact CG1-CD1 4.02Å; V430-L434 HydrophobicContact CG1-CG 4.39Å; V430-L434 WeakPolarHBondContact O-CG 3.46Å; V430-L434 PolarHBondContact O-N 3.32Å |
| 431 | F | 84.8 | Confident | 85.5 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 6% | 0.057 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.2 | -179.5 | -96.4 | 0 | 0 | 0 | 112.3 | I246 L314 K427 I428 G429 V433 L434 Y435 W485 | I246-F431 HydrophobicContact CD1-CD1 4.07Å; I246-F431 HydrophobicContact CD1-CE1 4.19Å; I246-F431 HydrophobicContact CG1-CD1 4.33Å; I246-F431 HydrophobicContact CG1-CE1 4.04Å; I246-F431 HydrophobicContact CG2-CE1 4.2Å; I246-F431 HydrophobicContact CG2-CZ 4.2Å; L314-F431 HydrophobicContact CD2-CD1 3.86Å; L314-F431 HydrophobicContact CD2-CE1 3.92Å; K427-F431 PolarHBondContact O-N 2.98Å; I428-F431 PolarHBondContact O-N 3.31Å; G429-F431 PolarHBondContact O-N 3.32Å; F431-V433 VanDerWaalsContact C-N 3.35Å; F431-V433 PolarHBondContact O-N 2.87Å; F431-L434 PolarHBondContact O-N 2.87Å; F431-Y435 PolarHBondContact O-N 2.94Å; F431-Y435 VanDerWaalsContact O-N 3.08Å; F431-W485 HydrophobicContact CB-CE3 4.05Å; F431-W485 HydrophobicContact CB-CZ3 3.75Å; F431-W485 HydrophobicContact CD2-CE3 4.1Å; F431-W485 HydrophobicContact CG-CE3 4.04Å; F431-W485 HydrophobicContact CG-CZ3 4.22Å |
| 432 | S | 84.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | W311 I428 G429 V430 Y435 T436 | W311-S432 PolarHBondContact NE1-O 3.24Å; I428-S432 WeakPolarHBondContact O-CB 3.41Å; I428-S432 PolarHBondContact O-N 3.47Å; I428-S432 PolarHBondContact O-OG 3.25Å; G429-S432 PolarHBondContact O-N 3.31Å; V430-S432 VanDerWaalsContact C-N 3.32Å; V430-S432 PolarHBondContact O-N 3.01Å; S432-Y435 PolarHBondContact O-N 3.05Å; S432-T436 PolarHBondContact O-N 3.26Å |
| 433 | V | 86 | Confident | 88.1 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 38% | 0.382 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 173.4 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I397 G429 V430 F431 Y435 T436 | I397-V433 HydrophobicContact CG2-CG2 4.08Å; G429-V433 WeakPolarHBondContact O-CG2 3.35Å; G429-V433 PolarHBondContact O-N 3.32Å; V430-V433 PolarHBondContact O-N 3.42Å; F431-V433 VanDerWaalsContact C-N 3.35Å; F431-V433 PolarHBondContact O-N 2.87Å; V433-Y435 PolarHBondContact O-N 3.17Å; V433-T436 WeakPolarHBondContact O-CB 3.38Å; V433-T436 PolarHBondContact O-N 3.43Å; V433-T436 PolarHBondContact O-OG1 2.85Å |
| 434 | L | 88.5 | Confident | 89.1 | Confident | 100 Ų | 100 | 38.5 Ų | 38.5 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -32.4 | 176.9 | -75.5 | 171.8 | 0 | 0 | 0 | 112.5 | V430 F431 P438 | V430-L434 HydrophobicContact CG1-CD1 4.02Å; V430-L434 HydrophobicContact CG1-CG 4.39Å; V430-L434 WeakPolarHBondContact O-CG 3.46Å; V430-L434 PolarHBondContact O-N 3.32Å; F431-L434 PolarHBondContact O-N 2.87Å; L434-P438 WeakPolarHBondContact O-CD 3.49Å |
| 435 | Y | 89.9 | Confident | 90.2 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.8 | -32.1 | 173.7 | -175.2 | -74.6 | 0 | 0 | 0 | 113.2 | L249 W311 F431 S432 V433 V437 P438 A439 V478 | L249-Y435 HydrophobicContact CD1-CD2 4.13Å; L249-Y435 HydrophobicContact CD1-CE2 3.73Å; L249-Y435 HydrophobicContact CD2-CE2 4.44Å; L249-Y435 HydrophobicContact CG-CE2 4.4Å; W311-Y435 HydrophobicContact CB-CD1 4.19Å; W311-Y435 HydrophobicContact CB-CD2 4.43Å; W311-Y435 HydrophobicContact CB-CE1 3.77Å; W311-Y435 HydrophobicContact CB-CE2 3.98Å; W311-Y435 AromaticContact CD1-CD1 3.19Å; W311-Y435 AromaticContact CD1-CD2 3.67Å; W311-Y435 AromaticContact CD1-CE1 3.71Å; W311-Y435 AromaticContact CD1-CG 3.2Å; W311-Y435 AromaticContact CD2-CD1 3.6Å; W311-Y435 HydrophobicContact CD2-CD1 3.6Å; W311-Y435 AromaticContact CD2-CE1 3.68Å; W311-Y435 HydrophobicContact CD2-CE1 3.68Å; W311-Y435 HydrophobicContact CD2-CG 4.4Å; W311-Y435 AromaticContact CE2-CD1 3.55Å; W311-Y435 HydrophobicContact CE3-CD1 4.49Å; W311-Y435 HydrophobicContact CE3-CE1 4.27Å; W311-Y435 AromaticContact CG-CD1 3.39Å; W311-Y435 HydrophobicContact CG-CD1 3.39Å; W311-Y435 HydrophobicContact CG-CD2 4.16Å; W311-Y435 AromaticContact CG-CE1 3.41Å; W311-Y435 HydrophobicContact CG-CE1 3.41Å; W311-Y435 VanDerWaalsContact CG-CE1 3.41Å; W311-Y435 HydrophobicContact CG-CE2 4.13Å; W311-Y435 AromaticContact CG-CG 3.82Å; W311-Y435 HydrophobicContact CG-CG 3.82Å; W311-Y435 AromaticContact CG-CZ 3.81Å; W311-Y435 HydrophobicContact CZ2-CD1 4.39Å; W311-Y435 AromaticContact NE1-CD1 3.27Å; W311-Y435 VanDerWaalsContact NE1-CD1 3.27Å; W311-Y435 AromaticContact NE1-CG 3.46Å; F431-Y435 PolarHBondContact O-N 2.94Å; F431-Y435 VanDerWaalsContact O-N 3.08Å; S432-Y435 PolarHBondContact O-N 3.05Å; V433-Y435 PolarHBondContact O-N 3.17Å; Y435-V437 PolarHBondContact O-N 2.84Å; Y435-P438 WeakPolarHBondContact O-CD 3.46Å; Y435-A439 HydrophobicContact CD1-CB 4Å; Y435-A439 HydrophobicContact CE1-CB 3.75Å; Y435-A439 WeakPolarHBondContact O-CB 3.36Å; Y435-A439 PolarHBondContact O-N 3.3Å; Y435-V478 HydrophobicContact CD2-CB 4.46Å; Y435-V478 HydrophobicContact CD2-CG1 3.58Å; Y435-V478 HydrophobicContact CD2-CG2 4.13Å; Y435-V478 HydrophobicContact CE2-CB 4.22Å; Y435-V478 HydrophobicContact CE2-CG1 3.15Å; Y435-V478 HydrophobicContact CE2-CG2 3.99Å |
| 436 | T | 93.1 | Very high | 91.1 | Very high | 26 Ų | 26 | 36 Ų | 36 | 16% | 0.16 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -32.3 | -178.7 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | W311 L390 T394 I397 S432 V433 S440 | W311-T436 HydrophobicContact CH2-CG2 4.23Å; W311-T436 HydrophobicContact CZ2-CG2 3.57Å; L390-T436 HydrophobicContact CD1-CG2 4.42Å; T394-T436 HydrophobicContact CG2-CG2 3.95Å; I397-T436 HydrophobicContact CD1-CG2 3.9Å; S432-T436 PolarHBondContact O-N 3.26Å; V433-T436 WeakPolarHBondContact O-CB 3.38Å; V433-T436 PolarHBondContact O-N 3.43Å; V433-T436 PolarHBondContact O-OG1 2.85Å; T436-S440 VanDerWaalsContact O-CB 3.29Å; T436-S440 WeakPolarHBondContact O-CB 3.35Å; T436-S440 PolarHBondContact O-N 2.88Å; T436-S440 PolarHBondContact O-OG 2.74Å |
| 437 | V | 94.4 | Very high | 91.9 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.1 | -52.6 | -177 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | Y435 A439 S440 T441 | Y435-V437 PolarHBondContact O-N 2.84Å; V437-A439 VanDerWaalsContact C-N 3.34Å; V437-A439 PolarHBondContact O-N 2.83Å; V437-S440 PolarHBondContact O-OG 2.94Å; V437-T441 WeakPolarHBondContact O-CB 3.32Å; V437-T441 PolarHBondContact O-N 3.19Å; V437-T441 PolarHBondContact O-OG1 3.34Å |
| 438 | P | 95.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.045 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 171.7 | -25.3 | 32.8 | 0 | 0 | 0 | 113.1 | L434 Y435 T441 V442 M474 L477 V478 | L434-P438 WeakPolarHBondContact O-CD 3.49Å; Y435-P438 WeakPolarHBondContact O-CD 3.46Å; P438-T441 PolarHBondContact O-N 3.09Å; P438-V442 WeakPolarHBondContact O-CG2 3.44Å; P438-V442 PolarHBondContact O-N 3.29Å; P438-M474 HydrophobicContact CB-CB 4.2Å; P438-M474 WeakPolarHBondContact CB-O 3.37Å; P438-M474 HydrophobicContact CB-SD 4.24Å; P438-M474 HydrophobicContact CG-SD 4.49Å; P438-L477 HydrophobicContact CG-CD2 4.25Å; P438-V478 HydrophobicContact CB-CG2 3.77Å; P438-V478 HydrophobicContact CG-CG2 4.29Å |
| 439 | A | 95.8 | Very high | 93 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L390 Y435 V437 T441 V442 I443 | L390-A439 HydrophobicContact CD1-CB 4.09Å; Y435-A439 HydrophobicContact CD1-CB 4Å; Y435-A439 HydrophobicContact CE1-CB 3.75Å; Y435-A439 WeakPolarHBondContact O-CB 3.36Å; Y435-A439 PolarHBondContact O-N 3.3Å; V437-A439 VanDerWaalsContact C-N 3.34Å; V437-A439 PolarHBondContact O-N 2.83Å; A439-T441 VanDerWaalsContact C-N 3.34Å; A439-V442 PolarHBondContact O-N 3.43Å; A439-I443 WeakPolarHBondContact O-CG1 3.41Å; A439-I443 PolarHBondContact O-N 3.26Å; A439-I443 VanDerWaalsContact O-N 3.13Å |
| 440 | S | 97.2 | Very high | 93.6 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 40% | 0.399 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.4 | -37 | 175.5 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | T436 V437 I443 G444 | T436-S440 VanDerWaalsContact O-CB 3.29Å; T436-S440 WeakPolarHBondContact O-CB 3.35Å; T436-S440 PolarHBondContact O-N 2.88Å; T436-S440 PolarHBondContact O-OG 2.74Å; V437-S440 PolarHBondContact O-OG 2.94Å; S440-I443 PolarHBondContact O-N 2.04Å; S440-G444 PolarHBondContact O-N 2.81Å |
| 441 | T | 97.9 | Very high | 94 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 175.8 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | V437 P438 A439 I443 G444 C445 L470 M474 | V437-T441 WeakPolarHBondContact O-CB 3.32Å; V437-T441 PolarHBondContact O-N 3.19Å; V437-T441 PolarHBondContact O-OG1 3.34Å; P438-T441 PolarHBondContact O-N 3.09Å; A439-T441 VanDerWaalsContact C-N 3.34Å; T441-I443 VanDerWaalsContact C-N 3.35Å; T441-I443 PolarHBondContact O-N 3.05Å; T441-G444 CarbonylContact O-C 3.6Å; T441-G444 WeakPolarHBondContact O-CA 3.47Å; T441-G444 PolarHBondContact O-N 2.96Å; T441-G444 VanDerWaalsContact O-N 3.14Å; T441-C445 PolarHBondContact O-N 3.39Å; T441-C445 PolarHBondContact O-SG 2.99Å; T441-L470 HydrophobicContact CG2-CD1 4.34Å; T441-L470 HydrophobicContact CG2-CD2 3.92Å; T441-L470 HydrophobicContact CG2-CG 4Å; T441-M474 HydrophobicContact CG2-CE 4.24Å; T441-M474 HydrophobicContact CG2-CG 3.74Å; T441-M474 HydrophobicContact CG2-SD 4.5Å |
| 442 | V | 98 | Very high | 94.5 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 9% | 0.085 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 175.8 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | P438 A439 G444 C445 Y446 R471 M474 S475 | P438-V442 WeakPolarHBondContact O-CG2 3.44Å; P438-V442 PolarHBondContact O-N 3.29Å; A439-V442 PolarHBondContact O-N 3.43Å; V442-G444 VanDerWaalsContact C-N 3.34Å; V442-C445 PolarHBondContact O-N 3.18Å; V442-Y446 HydrophobicContact CG1-CD2 3.96Å; V442-Y446 HydrophobicContact CG1-CE2 3.64Å; V442-Y446 VanDerWaalsContact O-CD2 3.22Å; V442-Y446 WeakPolarHBondContact O-CD2 3.15Å; V442-Y446 PolarHBondContact O-N 3.43Å; V442-Y446 VanDerWaalsContact O-N 3.09Å; V442-R471 HydrophobicContact CG1-CG 4.2Å; V442-M474 HydrophobicContact CG2-CB 3.78Å; V442-S475 WeakPolarHBondContact CG2-OG 3.46Å |
| 443 | I | 98.1 | Very high | 94.7 | Very high | 18 Ų | 18 | 42.1 Ų | 42.1 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.5 | -65.9 | 165.7 | 0 | 0 | 0 | 110.6 | L386 L390 A439 S440 T441 C445 Y446 L447 | L386-I443 HydrophobicContact CB-CD1 4.07Å; L386-I443 HydrophobicContact CB-CG1 4.01Å; L390-I443 HydrophobicContact CB-CD1 4.08Å; L390-I443 HydrophobicContact CD2-CD1 3.69Å; A439-I443 WeakPolarHBondContact O-CG1 3.41Å; A439-I443 PolarHBondContact O-N 3.26Å; A439-I443 VanDerWaalsContact O-N 3.13Å; S440-I443 PolarHBondContact O-N 2.04Å; T441-I443 VanDerWaalsContact C-N 3.35Å; T441-I443 PolarHBondContact O-N 3.05Å; I443-C445 VanDerWaalsContact C-N 3.34Å; I443-C445 PolarHBondContact O-N 2.72Å; I443-Y446 PolarHBondContact O-N 3.22Å; I443-L447 HydrophobicContact CG2-CD1 4.07Å; I443-L447 HydrophobicContact CG2-CG 4.3Å; I443-L447 WeakPolarHBondContact O-CG 3.47Å; I443-L447 PolarHBondContact O-N 3.21Å |
| 444 | G | 98.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 45.5 Ų | 45.5 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S440 T441 V442 L447 Y448 | S440-G444 PolarHBondContact O-N 2.81Å; T441-G444 CarbonylContact O-C 3.6Å; T441-G444 WeakPolarHBondContact O-CA 3.47Å; T441-G444 PolarHBondContact O-N 2.96Å; T441-G444 VanDerWaalsContact O-N 3.14Å; V442-G444 VanDerWaalsContact C-N 3.34Å; G444-L447 PolarHBondContact O-N 2.8Å; G444-Y448 WeakPolarHBondContact O-CB 3.49Å; G444-Y448 PolarHBondContact O-N 3.18Å |
| 445 | C | 97.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.054 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 173.5 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | T441 V442 I443 Y448 Q449 S467 R471 | T441-C445 PolarHBondContact O-N 3.39Å; T441-C445 PolarHBondContact O-SG 2.99Å; V442-C445 PolarHBondContact O-N 3.18Å; I443-C445 VanDerWaalsContact C-N 3.34Å; I443-C445 PolarHBondContact O-N 2.72Å; C445-Y448 WeakPolarHBondContact O-CB 3.42Å; C445-Y448 PolarHBondContact O-N 3.42Å; C445-Q449 WeakPolarHBondContact O-CG 3.3Å; C445-Q449 PolarHBondContact O-N 3.46Å; C445-S467 PolarHBondContact SG-O 3.18Å; C445-R471 HydrophobicContact CB-CB 3.96Å; C445-R471 HydrophobicContact CB-CG 4.38Å |
| 446 | Y | 97.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.7 | -77 | -60.4 | 0 | 0 | 0 | 112.6 | L378 V382 V383 L386 V442 I443 Y448 Q449 L450 R471 | L378-Y446 HydrophobicContact CD1-CD1 3.96Å; L378-Y446 HydrophobicContact CD1-CE1 3.79Å; L378-Y446 HydrophobicContact CD2-CD1 4.39Å; V382-Y446 HydrophobicContact CG1-CD2 4.42Å; V382-Y446 HydrophobicContact CG1-CE1 4.28Å; V382-Y446 HydrophobicContact CG1-CE2 3.79Å; V383-Y446 HydrophobicContact CG2-CG 4.06Å; L386-Y446 HydrophobicContact CD1-CE2 4.11Å; V442-Y446 HydrophobicContact CG1-CD2 3.96Å; V442-Y446 HydrophobicContact CG1-CE2 3.64Å; V442-Y446 VanDerWaalsContact O-CD2 3.22Å; V442-Y446 WeakPolarHBondContact O-CD2 3.15Å; V442-Y446 PolarHBondContact O-N 3.43Å; V442-Y446 VanDerWaalsContact O-N 3.09Å; I443-Y446 PolarHBondContact O-N 3.22Å; Y446-Y448 VanDerWaalsContact C-N 3.3Å; Y446-Y448 PolarHBondContact O-N 2.77Å; Y446-Q449 PolarHBondContact O-N 3.29Å; Y446-L450 WeakPolarHBondContact O-CB 3.49Å; Y446-L450 VanDerWaalsContact O-CG 3.28Å; Y446-L450 WeakPolarHBondContact O-CG 3.29Å; Y446-L450 PolarHBondContact O-N 3.3Å; Y446-R471 VanDerWaalsContact CZ-NH1 3.28Å; Y446-R471 PolarHBondContact OH-NH1 3.3Å |
| 447 | L | 97.3 | Very high | 94.3 | Very high | 93 Ų | 93 | 48.9 Ų | 48.9 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 176.9 | -68.7 | 175.6 | 0 | 0 | 0 | 111.7 | V383 I443 G444 L450 S451 | V383-L447 HydrophobicContact CG1-CD2 4.02Å; I443-L447 HydrophobicContact CG2-CD1 4.07Å; I443-L447 HydrophobicContact CG2-CG 4.3Å; I443-L447 WeakPolarHBondContact O-CG 3.47Å; I443-L447 PolarHBondContact O-N 3.21Å; G444-L447 PolarHBondContact O-N 2.8Å; L447-L450 PolarHBondContact O-N 2.94Å; L447-S451 WeakPolarHBondContact O-CB 3.45Å; L447-S451 PolarHBondContact O-N 3.49Å |
| 448 | Y | 96.6 | Very high | 93.5 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.4 | 178.4 | -106.6 | 0 | 0 | 0 | 111.9 | G444 C445 Y446 S451 N452 F456 S463 | G444-Y448 WeakPolarHBondContact O-CB 3.49Å; G444-Y448 PolarHBondContact O-N 3.18Å; C445-Y448 WeakPolarHBondContact O-CB 3.42Å; C445-Y448 PolarHBondContact O-N 3.42Å; Y446-Y448 VanDerWaalsContact C-N 3.3Å; Y446-Y448 PolarHBondContact O-N 2.77Å; Y448-S451 PolarHBondContact O-N 3.15Å; Y448-N452 WeakPolarHBondContact CE2-ND2 3.27Å; Y448-N452 PolarHBondContact O-N 3.15Å; Y448-N452 PolarHBondContact O-ND2 3.38Å; Y448-F456 HydrophobicContact CD1-CE2 4.36Å; Y448-F456 HydrophobicContact CE1-CE2 4.05Å; Y448-F456 AromaticContact CE1-CZ 3.78Å; Y448-F456 HydrophobicContact CE1-CZ 3.78Å; Y448-S463 WeakPolarHBondContact OH-CB 3.45Å |
| 449 | Q | 94 | Very high | 92.8 | Very high | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 175 | -70.5 | 172.1 | -0.3 | 0 | 0 | 111.7 | C445 Y446 S451 N452 W453 Y464 S467 E468 | C445-Q449 WeakPolarHBondContact O-CG 3.3Å; C445-Q449 PolarHBondContact O-N 3.46Å; Y446-Q449 PolarHBondContact O-N 3.29Å; Q449-S451 PolarHBondContact O-N 3Å; Q449-N452 CarbonylContact O-C 3.49Å; Q449-N452 PolarHBondContact O-N 2.89Å; Q449-W453 WeakPolarHBondContact O-CA 3.36Å; Q449-W453 PolarHBondContact O-N 3.18Å; Q449-W453 VanDerWaalsContact O-N 3.12Å; Q449-Y464 HydrophobicContact CG-CD2 4.14Å; Q449-Y464 HydrophobicContact CG-CE2 4.11Å; Q449-S467 PolarHBondContact NE2-OG 2.04Å; Q449-E468 PolarHBondContact NE2-OE2 2.86Å |
| 450 | L | 94.4 | Very high | 92.3 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 176.7 | -73.3 | 172.5 | 0 | 0 | 0 | 112.5 | Q375 L378 V383 Y446 L447 N452 W453 | Q375-L450 HydrophobicContact CG-CD2 3.49Å; Q375-L450 VanDerWaalsContact CG-CD2 3.49Å; L378-L450 HydrophobicContact CD2-CD2 3.88Å; L378-L450 HydrophobicContact CD2-CG 4.3Å; L378-L450 HydrophobicContact CG-CD2 4.38Å; V383-L450 HydrophobicContact CG2-CD1 3.91Å; Y446-L450 WeakPolarHBondContact O-CB 3.49Å; Y446-L450 VanDerWaalsContact O-CG 3.28Å; Y446-L450 WeakPolarHBondContact O-CG 3.29Å; Y446-L450 PolarHBondContact O-N 3.3Å; L447-L450 PolarHBondContact O-N 2.94Å; L450-N452 PolarHBondContact O-N 3.43Å; L450-W453 HydrophobicContact CD2-CE3 4.32Å; L450-W453 WeakPolarHBondContact O-CB 3.36Å; L450-W453 PolarHBondContact O-N 3.35Å |
| 451 | S | 95.3 | Very high | 92 | Very high | 98 Ų | 98 | 54 Ų | 54 | 69% | 0.685 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.4 | -23.2 | 179.2 | -175.4 | 0 | 0 | 0 | 0 | 113.4 | L447 Y448 Q449 | L447-S451 WeakPolarHBondContact O-CB 3.45Å; L447-S451 PolarHBondContact O-N 3.49Å; Y448-S451 PolarHBondContact O-N 3.15Å; Q449-S451 PolarHBondContact O-N 3Å |
| 452 | N | 94.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 25.6 | -177.5 | -59.4 | -83.7 | 0 | 0 | 0 | 111.5 | Y448 Q449 L450 E454 E455 F456 | Y448-N452 WeakPolarHBondContact CE2-ND2 3.27Å; Y448-N452 PolarHBondContact O-N 3.15Å; Y448-N452 PolarHBondContact O-ND2 3.38Å; Q449-N452 CarbonylContact O-C 3.49Å; Q449-N452 PolarHBondContact O-N 2.89Å; L450-N452 PolarHBondContact O-N 3.43Å; N452-E454 PolarHBondContact O-N 3.24Å; N452-E455 PolarHBondContact O-N 2.9Å; N452-F456 HydrophobicContact CB-CD2 3.99Å; N452-F456 HydrophobicContact CB-CE1 4.17Å; N452-F456 HydrophobicContact CB-CE2 3.62Å; N452-F456 HydrophobicContact CB-CG 4.46Å; N452-F456 HydrophobicContact CB-CZ 3.71Å; N452-F456 WeakPolarHBondContact O-CG 3.29Å; N452-F456 PolarHBondContact O-N 3.22Å; N452-F456 VanDerWaalsContact O-N 3.09Å |
| 453 | W | 90.4 | Very high | 91.4 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55 | -51.2 | -169.7 | -178.5 | -94.2 | 0 | 0 | 0 | 113.7 | G371 N372 Q373 Q375 L378 Q449 L450 E455 F456 K457 | G371-W453 WeakPolarHBondContact O-CH2 3.08Å; N372-W453 VanDerWaalsContact O-CH2 3.31Å; N372-W453 WeakPolarHBondContact O-CH2 3.33Å; Q373-W453 VanDerWaalsContact C-CZ2 3.5Å; Q375-W453 HydrophobicContact CB-CD2 4.13Å; Q375-W453 HydrophobicContact CB-CE3 4.5Å; Q375-W453 HydrophobicContact CB-CZ2 4.13Å; Q375-W453 HydrophobicContact CG-CD2 4.32Å; L378-W453 HydrophobicContact CD2-CZ3 3.89Å; Q449-W453 WeakPolarHBondContact O-CA 3.36Å; Q449-W453 PolarHBondContact O-N 3.18Å; Q449-W453 VanDerWaalsContact O-N 3.12Å; L450-W453 HydrophobicContact CD2-CE3 4.32Å; L450-W453 WeakPolarHBondContact O-CB 3.36Å; L450-W453 PolarHBondContact O-N 3.35Å; W453-E455 VanDerWaalsContact C-N 3.29Å; W453-E455 PolarHBondContact O-N 3.27Å; W453-F456 PolarHBondContact O-N 3.47Å; W453-K457 WeakPolarHBondContact O-CB 3.46Å; W453-K457 PolarHBondContact O-N 3.34Å |
| 454 | E | 88.6 | Confident | 91.2 | Very high | 134 Ų | 134 | 61.5 Ų | 61.5 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.1 | -40.3 | -178.8 | -66.1 | -56 | 132.7 | 0 | 0 | 112.5 | N452 T458 | N452-E454 PolarHBondContact O-N 3.24Å; E454-T458 PolarHBondContact O-OG1 2.82Å |
| 455 | E | 87.4 | Confident | 91 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -46.8 | 179.5 | -174.5 | 173.7 | -172.1 | 0 | 0 | 111.5 | N452 W453 K457 T458 S459 R461 | N452-E455 PolarHBondContact O-N 2.9Å; W453-E455 VanDerWaalsContact C-N 3.29Å; W453-E455 PolarHBondContact O-N 3.27Å; E455-K457 VanDerWaalsContact C-N 3.3Å; E455-K457 PolarHBondContact O-N 3.35Å; E455-T458 PolarHBondContact O-N 2.93Å; E455-T458 PolarHBondContact O-OG1 3.01Å; E455-S459 PolarHBondContact O-N 3Å; E455-R461 HydrophobicContact CG-CG 4.32Å; E455-R461 IonicContact OE1-CZ 2.58Å; E455-R461 IonicContact OE1-NE 3.25Å; E455-R461 PolarHBondContact OE1-NE 3.27Å; E455-R461 IonicContact OE1-NH2 3.4Å; E455-R461 PolarHBondContact OE1-NH2 2.96Å |
| 456 | F | 89.1 | Confident | 90.9 | Very high | 17 Ų | 17 | 63.2 Ų | 63.2 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.1 | -25.4 | -178 | -64.3 | -20 | 0 | 0 | 0 | 113.8 | Y448 N452 W453 R461 Y464 | Y448-F456 HydrophobicContact CD1-CE2 4.36Å; Y448-F456 HydrophobicContact CE1-CE2 4.05Å; Y448-F456 AromaticContact CE1-CZ 3.78Å; Y448-F456 HydrophobicContact CE1-CZ 3.78Å; N452-F456 HydrophobicContact CB-CD2 3.99Å; N452-F456 HydrophobicContact CB-CE1 4.17Å; N452-F456 HydrophobicContact CB-CE2 3.62Å; N452-F456 HydrophobicContact CB-CG 4.46Å; N452-F456 HydrophobicContact CB-CZ 3.71Å; N452-F456 WeakPolarHBondContact O-CG 3.29Å; N452-F456 PolarHBondContact O-N 3.22Å; N452-F456 VanDerWaalsContact O-N 3.09Å; W453-F456 PolarHBondContact O-N 3.47Å; F456-R461 HydrophobicContact CD1-CB 3.94Å; F456-R461 HydrophobicContact CD1-CG 3.98Å; F456-R461 HydrophobicContact CE1-CB 3.81Å; F456-R461 HydrophobicContact CE1-CG 4.03Å; F456-Y464 HydrophobicContact CB-CD2 4.06Å; F456-Y464 AromaticContact CD2-CD2 3.57Å; F456-Y464 HydrophobicContact CD2-CD2 3.57Å; F456-Y464 HydrophobicContact CD2-CE2 4.47Å; F456-Y464 HydrophobicContact CD2-CG 4.34Å; F456-Y464 HydrophobicContact CE2-CD2 4.11Å; F456-Y464 AromaticContact CG-CD2 3.87Å; F456-Y464 HydrophobicContact CG-CD2 3.87Å; F456-Y464 HydrophobicContact CG-CG 4.33Å |
| 457 | K | 82.8 | Confident | 90.9 | Very high | 120 Ų | 120 | 63.4 Ų | 63.4 | 52% | 0.522 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.8 | -31.2 | 176.6 | -171 | 174.9 | 178.6 | -178.9 | 0 | 113 | W453 E455 | W453-K457 WeakPolarHBondContact O-CB 3.46Å; W453-K457 PolarHBondContact O-N 3.34Å; E455-K457 VanDerWaalsContact C-N 3.3Å; E455-K457 PolarHBondContact O-N 3.35Å |
| 458 | T | 77.1 | Confident | 90.8 | Very high | 56 Ų | 56 | 59 Ų | 59 | 34% | 0.344 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -103.4 | -26.5 | -171.3 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | E454 E455 | E454-T458 PolarHBondContact O-OG1 2.82Å; E455-T458 PolarHBondContact O-N 2.93Å; E455-T458 PolarHBondContact O-OG1 3.01Å |
| 459 | S | 82.2 | Confident | 90.9 | Very high | 35 Ų | 35 | 55 Ų | 55 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -135.3 | 134.1 | -169.6 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | E455 R461 | E455-S459 PolarHBondContact O-N 3Å; S459-R461 PolarHBondContact O-N 3.31Å; S459-R461 VanDerWaalsContact O-N 3.16Å |
| 460 | P | 85.1 | Confident | 91.1 | Very high | 67 Ų | 67 | 57.8 Ų | 57.8 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | trans | -68.1 | 117.2 | 174 | 27 | -30 | 0 | 0 | 0 | 109.5 | L201 Y202 | L201-P460 HydrophobicContact CG-CB 4.11Å; L201-P460 HydrophobicContact CG-CG 4.5Å; L201-P460 WeakPolarHBondContact O-CB 3.5Å; Y202-P460 HydrophobicContact CD1-CB 4.14Å; Y202-P460 HydrophobicContact CE1-CB 4.09Å | ||
| 461 | R | 90.1 | Very high | 91.2 | Very high | 113 Ų | 113 | 57.4 Ų | 57.4 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | trans | -117.8 | 131.7 | 176.5 | -67.7 | -60.3 | -160.9 | -172.3 | 2 | 111.3 | E455 F456 S459 S463 Y464 V465 | E455-R461 HydrophobicContact CG-CG 4.32Å; E455-R461 IonicContact OE1-CZ 2.58Å; E455-R461 IonicContact OE1-NE 3.25Å; E455-R461 PolarHBondContact OE1-NE 3.27Å; E455-R461 IonicContact OE1-NH2 3.4Å; E455-R461 PolarHBondContact OE1-NH2 2.96Å; F456-R461 HydrophobicContact CD1-CB 3.94Å; F456-R461 HydrophobicContact CD1-CG 3.98Å; F456-R461 HydrophobicContact CE1-CB 3.81Å; F456-R461 HydrophobicContact CE1-CG 4.03Å; S459-R461 PolarHBondContact O-N 3.31Å; S459-R461 VanDerWaalsContact O-N 3.16Å; R461-S463 PolarHBondContact O-N 3.18Å; R461-Y464 WeakPolarHBondContact O-CB 2.73Å; R461-Y464 PolarHBondContact O-N 3.35Å; R461-Y464 VanDerWaalsContact O-N 3.08Å; R461-V465 PolarHBondContact O-N 3.02Å | ||
| 462 | D | 90.1 | Very high | 91.3 | Very high | 141 Ų | 141 | 52.8 Ų | 52.8 | 75% | 0.754 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.5 | -31.1 | 173.3 | -64.9 | -25.3 | 0 | 0 | 0 | 111.7 | Y464 V465 A466 | D462-Y464 VanDerWaalsContact C-N 3.32Å; D462-Y464 PolarHBondContact O-N 2.98Å; D462-V465 WeakPolarHBondContact O-CB 3.5Å; D462-V465 PolarHBondContact O-N 3.48Å; D462-A466 WeakPolarHBondContact O-CB 3.24Å; D462-A466 PolarHBondContact O-N 3.37Å |
| 463 | S | 93.4 | Very high | 91.5 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 43% | 0.434 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 175 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | Y448 R461 S467 | Y448-S463 WeakPolarHBondContact OH-CB 3.45Å; R461-S463 PolarHBondContact O-N 3.18Å; S463-S467 WeakPolarHBondContact O-CB 3.34Å; S463-S467 PolarHBondContact O-N 2.85Å; S463-S467 PolarHBondContact O-OG 3.19Å |
| 464 | Y | 93.3 | Very high | 91.9 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -50 | 172.6 | 177.6 | -94.3 | 0 | 0 | 0 | 109.9 | Y202 D362 L364 Q449 F456 R461 D462 A466 S467 E468 | Y202-Y464 HydrophobicContact CE1-CD1 4.42Å; Y202-Y464 HydrophobicContact CE2-CD1 4.33Å; Y202-Y464 HydrophobicContact CE2-CE1 4.36Å; Y202-Y464 AromaticContact CZ-CD1 3.68Å; Y202-Y464 WeakPolarHBondContact OH-CD1 3.21Å; D362-Y464 PolarHBondContact OD1-OH 3.29Å; L364-Y464 HydrophobicContact CB-CE1 4.4Å; L364-Y464 HydrophobicContact CD2-CD1 3.95Å; L364-Y464 HydrophobicContact CD2-CE1 3.88Å; Q449-Y464 HydrophobicContact CG-CD2 4.14Å; Q449-Y464 HydrophobicContact CG-CE2 4.11Å; F456-Y464 HydrophobicContact CB-CD2 4.06Å; F456-Y464 AromaticContact CD2-CD2 3.57Å; F456-Y464 HydrophobicContact CD2-CD2 3.57Å; F456-Y464 HydrophobicContact CD2-CE2 4.47Å; F456-Y464 HydrophobicContact CD2-CG 4.34Å; F456-Y464 HydrophobicContact CE2-CD2 4.11Å; F456-Y464 AromaticContact CG-CD2 3.87Å; F456-Y464 HydrophobicContact CG-CD2 3.87Å; F456-Y464 HydrophobicContact CG-CG 4.33Å; R461-Y464 WeakPolarHBondContact O-CB 2.73Å; R461-Y464 PolarHBondContact O-N 3.35Å; R461-Y464 VanDerWaalsContact O-N 3.08Å; D462-Y464 VanDerWaalsContact C-N 3.32Å; D462-Y464 PolarHBondContact O-N 2.98Å; Y464-A466 VanDerWaalsContact C-N 3.31Å; Y464-A466 PolarHBondContact O-N 3.18Å; Y464-S467 PolarHBondContact O-N 3.03Å; Y464-S467 VanDerWaalsContact O-N 3.13Å; Y464-S467 PolarHBondContact O-OG 3.47Å; Y464-E468 HydrophobicContact CE1-CB 4.49Å; Y464-E468 HydrophobicContact CE1-CG 4.49Å; Y464-E468 VanDerWaalsContact O-CB 3.28Å; Y464-E468 WeakPolarHBondContact O-CB 3.28Å; Y464-E468 PolarHBondContact O-N 3.4Å |
| 465 | V | 94.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.4 | -48.2 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | Y202 L364 R461 D462 E468 M469 | Y202-V465 HydrophobicContact CD1-CG2 3.9Å; Y202-V465 HydrophobicContact CE1-CG2 3.58Å; L364-V465 HydrophobicContact CD1-CG2 4.13Å; L364-V465 HydrophobicContact CD2-CB 4.18Å; L364-V465 HydrophobicContact CD2-CG1 4.2Å; L364-V465 HydrophobicContact CD2-CG2 3.89Å; R461-V465 PolarHBondContact O-N 3.02Å; D462-V465 WeakPolarHBondContact O-CB 3.5Å; D462-V465 PolarHBondContact O-N 3.48Å; V465-E468 PolarHBondContact O-N 3Å; V465-M469 HydrophobicContact CG1-CG 4.31Å; V465-M469 VanDerWaalsContact O-CG 3.27Å; V465-M469 WeakPolarHBondContact O-CG 3.3Å; V465-M469 PolarHBondContact O-N 2.85Å |
| 466 | A | 96.2 | Very high | 92.8 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 51% | 0.512 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D462 Y464 E468 M469 L470 | D462-A466 WeakPolarHBondContact O-CB 3.24Å; D462-A466 PolarHBondContact O-N 3.37Å; Y464-A466 VanDerWaalsContact C-N 3.31Å; Y464-A466 PolarHBondContact O-N 3.18Å; A466-E468 PolarHBondContact O-N 2.95Å; A466-M469 PolarHBondContact O-N 3.26Å; A466-L470 WeakPolarHBondContact O-CB 3.15Å; A466-L470 PolarHBondContact O-N 3.22Å |
| 467 | S | 96.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 45 Ų | 45 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.9 | -38.7 | 176.7 | 78.3 | 0 | 0 | 0 | 0 | 111.9 | C445 Q449 S463 Y464 R471 | C445-S467 PolarHBondContact SG-O 3.18Å; Q449-S467 PolarHBondContact NE2-OG 2.04Å; S463-S467 WeakPolarHBondContact O-CB 3.34Å; S463-S467 PolarHBondContact O-N 2.85Å; S463-S467 PolarHBondContact O-OG 3.19Å; Y464-S467 PolarHBondContact O-N 3.03Å; Y464-S467 VanDerWaalsContact O-N 3.13Å; Y464-S467 PolarHBondContact O-OG 3.47Å; S467-R471 WeakPolarHBondContact O-CB 3.41Å; S467-R471 PolarHBondContact O-N 3.46Å |
| 468 | E | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74 | -42.1 | -177.3 | -170.9 | 45 | -126.7 | 0 | 0 | 111.4 | L364 T365 Q449 Y464 V465 A466 L470 R471 I472 | L364-E468 HydrophobicContact CD2-CB 4.28Å; L364-E468 HydrophobicContact CD2-CG 4.16Å; T365-E468 HydrophobicContact CG2-CG 4.01Å; Q449-E468 PolarHBondContact NE2-OE2 2.86Å; Y464-E468 HydrophobicContact CE1-CB 4.49Å; Y464-E468 HydrophobicContact CE1-CG 4.49Å; Y464-E468 VanDerWaalsContact O-CB 3.28Å; Y464-E468 WeakPolarHBondContact O-CB 3.28Å; Y464-E468 PolarHBondContact O-N 3.4Å; V465-E468 PolarHBondContact O-N 3Å; A466-E468 PolarHBondContact O-N 2.95Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 3.39Å; E468-R471 VanDerWaalsContact CD-NE 3.3Å; E468-R471 VanDerWaalsContact CD-NH2 3.28Å; E468-R471 WeakPolarHBondContact O-CB 3.32Å; E468-R471 PolarHBondContact O-N 2.85Å; E468-R471 IonicContact OE1-CZ 3.89Å; E468-R471 IonicContact OE1-NE 3.83Å; E468-R471 PolarHBondContact OE1-NE 3.3Å; E468-R471 IonicContact OE1-NH2 3.83Å; E468-R471 PolarHBondContact OE1-NH2 3.44Å; E468-R471 IonicContact OE2-CZ 2.77Å; E468-R471 VanDerWaalsContact OE2-CZ 3.25Å; E468-R471 IonicContact OE2-NE 2.91Å; E468-R471 PolarHBondContact OE2-NE 3.47Å; E468-R471 IonicContact OE2-NH2 3.14Å; E468-R471 PolarHBondContact OE2-NH2 2.92Å; E468-I472 HydrophobicContact CG-CD1 4.45Å; E468-I472 WeakPolarHBondContact O-CG1 3.37Å; E468-I472 PolarHBondContact O-N 3.19Å |
| 469 | M | 97.3 | Very high | 94.4 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 175 | -68.8 | -47.1 | 100.7 | 0 | 0 | 111.8 | F209 T210 W213 L364 V465 A466 I472 F473 | F209-M469 HydrophobicContact CE1-CG 4.1Å; T210-M469 HydrophobicContact CG2-CE 3.44Å; T210-M469 VanDerWaalsContact CG2-CE 3.44Å; T210-M469 HydrophobicContact CG2-SD 4.09Å; W213-M469 HydrophobicContact CB-SD 3.96Å; W213-M469 HydrophobicContact CG-CG 4.48Å; W213-M469 HydrophobicContact CG-SD 3.76Å; W213-M469 PolarHBondContact NE1-O 3.41Å; W213-M469 VanDerWaalsContact NE1-O 3.08Å; L364-M469 HydrophobicContact CD2-CE 4.24Å; V465-M469 HydrophobicContact CG1-CG 4.31Å; V465-M469 VanDerWaalsContact O-CG 3.27Å; V465-M469 WeakPolarHBondContact O-CG 3.3Å; V465-M469 PolarHBondContact O-N 2.85Å; A466-M469 PolarHBondContact O-N 3.26Å; M469-I472 HydrophobicContact CE-CD1 4.09Å; M469-F473 WeakPolarHBondContact O-CB 3.46Å; M469-F473 PolarHBondContact O-N 2.71Å |
| 470 | L | 98.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 37 Ų | 37 | 37% | 0.366 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 174.7 | -179.2 | 61.6 | 0 | 0 | 0 | 111.4 | T441 A466 E468 I472 F473 M474 | T441-L470 HydrophobicContact CG2-CD1 4.34Å; T441-L470 HydrophobicContact CG2-CD2 3.92Å; T441-L470 HydrophobicContact CG2-CG 4Å; A466-L470 WeakPolarHBondContact O-CB 3.15Å; A466-L470 PolarHBondContact O-N 3.22Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 3.39Å; L470-I472 PolarHBondContact O-N 2.8Å; L470-F473 HydrophobicContact CD1-CD1 4.39Å; L470-F473 PolarHBondContact O-N 3.07Å; L470-M474 HydrophobicContact CD1-CE 3.74Å; L470-M474 HydrophobicContact CD1-CG 3.98Å; L470-M474 HydrophobicContact CG-CG 4.4Å; L470-M474 WeakPolarHBondContact O-CB 3.46Å; L470-M474 VanDerWaalsContact O-CG 3.3Å; L470-M474 WeakPolarHBondContact O-CG 3.38Å; L470-M474 PolarHBondContact O-N 3.26Å |
| 471 | R | 97.8 | Very high | 95.1 | Very high | 16 Ų | 16 | 35 Ų | 35 | 6% | 0.06 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.2 | -50.1 | 175.9 | -175.6 | -171.1 | 76.2 | 147.7 | -2.5 | 111.4 | V442 C445 Y446 S467 E468 M474 S475 | V442-R471 HydrophobicContact CG1-CG 4.2Å; C445-R471 HydrophobicContact CB-CB 3.96Å; C445-R471 HydrophobicContact CB-CG 4.38Å; Y446-R471 VanDerWaalsContact CZ-NH1 3.28Å; Y446-R471 PolarHBondContact OH-NH1 3.3Å; S467-R471 WeakPolarHBondContact O-CB 3.41Å; S467-R471 PolarHBondContact O-N 3.46Å; E468-R471 VanDerWaalsContact CD-NE 3.3Å; E468-R471 VanDerWaalsContact CD-NH2 3.28Å; E468-R471 WeakPolarHBondContact O-CB 3.32Å; E468-R471 PolarHBondContact O-N 2.85Å; E468-R471 IonicContact OE1-CZ 3.89Å; E468-R471 IonicContact OE1-NE 3.83Å; E468-R471 PolarHBondContact OE1-NE 3.3Å; E468-R471 IonicContact OE1-NH2 3.83Å; E468-R471 PolarHBondContact OE1-NH2 3.44Å; E468-R471 IonicContact OE2-CZ 2.77Å; E468-R471 VanDerWaalsContact OE2-CZ 3.25Å; E468-R471 IonicContact OE2-NE 2.91Å; E468-R471 PolarHBondContact OE2-NE 3.47Å; E468-R471 IonicContact OE2-NH2 3.14Å; E468-R471 PolarHBondContact OE2-NH2 2.92Å; R471-M474 PolarHBondContact O-N 3.13Å; R471-S475 WeakPolarHBondContact O-CB 3.05Å; R471-S475 PolarHBondContact O-N 3.23Å; R471-S475 PolarHBondContact O-OG 2.64Å |
| 472 | I | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -48.1 | 179.7 | -68.8 | 168.3 | 0 | 0 | 0 | 110.6 | M214 Y260 T365 E468 M469 L470 M474 S475 L476 | M214-I472 HydrophobicContact CG-CD1 4.04Å; M214-I472 HydrophobicContact CG-CG2 4.29Å; M214-I472 HydrophobicContact SD-CD1 4.21Å; Y260-I472 HydrophobicContact CE1-CD1 4.48Å; Y260-I472 HydrophobicContact CE1-CG1 4.29Å; Y260-I472 HydrophobicContact CE1-CG2 3.88Å; T365-I472 HydrophobicContact CG2-CD1 3.98Å; E468-I472 HydrophobicContact CG-CD1 4.45Å; E468-I472 WeakPolarHBondContact O-CG1 3.37Å; E468-I472 PolarHBondContact O-N 3.19Å; M469-I472 HydrophobicContact CE-CD1 4.09Å; L470-I472 PolarHBondContact O-N 2.8Å; I472-M474 PolarHBondContact O-N 3.17Å; I472-S475 PolarHBondContact O-N 2.7Å; I472-L476 HydrophobicContact CG2-CD1 3.81Å; I472-L476 WeakPolarHBondContact O-CG 3.43Å; I472-L476 PolarHBondContact O-N 3.06Å |
| 473 | F | 98.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 22.9 Ų | 22.9 | 19% | 0.189 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.3 | -51.1 | 178.2 | 165.8 | -111.9 | 0 | 0 | 0 | 111.5 | W213 W217 M469 L470 S475 L476 L477 | W213-F473 HydrophobicContact CZ2-CB 4.07Å; W213-F473 HydrophobicContact CZ2-CG 4.46Å; W217-F473 AromaticContact CD2-CD2 3.63Å; W217-F473 HydrophobicContact CD2-CD2 3.63Å; W217-F473 HydrophobicContact CD2-CE2 4.1Å; W217-F473 AromaticContact CE2-CD2 3.46Å; W217-F473 VanDerWaalsContact CE2-CD2 3.46Å; W217-F473 AromaticContact CE2-CE2 3.9Å; W217-F473 AromaticContact CE3-CD2 3.9Å; W217-F473 HydrophobicContact CE3-CD2 3.9Å; W217-F473 AromaticContact CE3-CE2 3.94Å; W217-F473 HydrophobicContact CE3-CE2 3.94Å; W217-F473 HydrophobicContact CG-CD2 4.23Å; W217-F473 AromaticContact CH2-CD2 3.9Å; W217-F473 HydrophobicContact CH2-CD2 3.9Å; W217-F473 AromaticContact CH2-CE2 3.41Å; W217-F473 HydrophobicContact CH2-CE2 3.41Å; W217-F473 VanDerWaalsContact CH2-CE2 3.41Å; W217-F473 HydrophobicContact CH2-CZ 4.42Å; W217-F473 AromaticContact CZ2-CD2 3.61Å; W217-F473 HydrophobicContact CZ2-CD2 3.61Å; W217-F473 AromaticContact CZ2-CE2 3.56Å; W217-F473 HydrophobicContact CZ2-CE2 3.56Å; W217-F473 HydrophobicContact CZ3-CD2 4.03Å; W217-F473 AromaticContact CZ3-CE2 3.61Å; W217-F473 HydrophobicContact CZ3-CE2 3.61Å; W217-F473 AromaticContact NE1-CD2 3.93Å; M469-F473 WeakPolarHBondContact O-CB 3.46Å; M469-F473 PolarHBondContact O-N 2.71Å; L470-F473 HydrophobicContact CD1-CD1 4.39Å; L470-F473 PolarHBondContact O-N 3.07Å; F473-S475 VanDerWaalsContact C-N 3.32Å; F473-S475 PolarHBondContact O-N 3.42Å; F473-L476 PolarHBondContact O-N 3.39Å; F473-L477 HydrophobicContact CE1-CD2 4.1Å; F473-L477 HydrophobicContact CE2-CB 4.47Å; F473-L477 HydrophobicContact CE2-CD1 4.37Å; F473-L477 HydrophobicContact CZ-CD1 4.28Å; F473-L477 HydrophobicContact CZ-CD2 3.89Å; F473-L477 HydrophobicContact CZ-CG 4.47Å; F473-L477 VanDerWaalsContact O-CB 3.29Å; F473-L477 WeakPolarHBondContact O-CB 3.31Å; F473-L477 PolarHBondContact O-N 2.89Å |
| 474 | M | 97.8 | Very high | 93.5 | Very high | 30 Ų | 30 | 24.7 Ų | 24.7 | 15% | 0.148 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -37 | -179.1 | -70.6 | -64.1 | 178.7 | 0 | 0 | 112.2 | P438 T441 V442 L470 R471 I472 L476 L477 | P438-M474 HydrophobicContact CB-CB 4.2Å; P438-M474 WeakPolarHBondContact CB-O 3.37Å; P438-M474 HydrophobicContact CB-SD 4.24Å; P438-M474 HydrophobicContact CG-SD 4.49Å; T441-M474 HydrophobicContact CG2-CE 4.24Å; T441-M474 HydrophobicContact CG2-CG 3.74Å; T441-M474 HydrophobicContact CG2-SD 4.5Å; V442-M474 HydrophobicContact CG2-CB 3.78Å; L470-M474 HydrophobicContact CD1-CE 3.74Å; L470-M474 HydrophobicContact CD1-CG 3.98Å; L470-M474 HydrophobicContact CG-CG 4.4Å; L470-M474 WeakPolarHBondContact O-CB 3.46Å; L470-M474 VanDerWaalsContact O-CG 3.3Å; L470-M474 WeakPolarHBondContact O-CG 3.38Å; L470-M474 PolarHBondContact O-N 3.26Å; R471-M474 PolarHBondContact O-N 3.13Å; I472-M474 PolarHBondContact O-N 3.17Å; M474-L476 PolarHBondContact O-N 3.2Å; M474-L477 PolarHBondContact O-N 3.18Å; M474-L477 HydrophobicContact SD-CD2 3.99Å |
| 475 | S | 97.2 | Very high | 92.6 | Very high | 22 Ų | 22 | 24.3 Ų | 24.3 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.5 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | V442 R471 I472 F473 | V442-S475 WeakPolarHBondContact CG2-OG 3.46Å; R471-S475 WeakPolarHBondContact O-CB 3.05Å; R471-S475 PolarHBondContact O-N 3.23Å; R471-S475 PolarHBondContact O-OG 2.64Å; I472-S475 PolarHBondContact O-N 2.7Å; F473-S475 VanDerWaalsContact C-N 3.32Å; F473-S475 PolarHBondContact O-N 3.42Å |
| 476 | L | 97.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -80.7 | -29 | 179.7 | -68.1 | 168.9 | 0 | 0 | 0 | 112.8 | W217 A218 C221 Y256 Y260 I472 F473 M474 V478 G479 I480 | W217-L476 HydrophobicContact CB-CB 4.31Å; W217-L476 HydrophobicContact CB-CD1 3.58Å; A218-L476 HydrophobicContact CB-CD1 4.45Å; C221-L476 HydrophobicContact CB-CB 4.17Å; C221-L476 HydrophobicContact CB-CD2 3.93Å; C221-L476 PolarHBondContact SG-O 3.19Å; Y256-L476 HydrophobicContact CD1-CD2 4.09Å; Y256-L476 HydrophobicContact CE1-CD2 4.28Å; Y260-L476 HydrophobicContact CD2-CD2 4.21Å; Y260-L476 HydrophobicContact CE2-CD1 4.44Å; Y260-L476 HydrophobicContact CE2-CD2 3.98Å; Y260-L476 HydrophobicContact CE2-CG 4.42Å; I472-L476 HydrophobicContact CG2-CD1 3.81Å; I472-L476 WeakPolarHBondContact O-CG 3.43Å; I472-L476 PolarHBondContact O-N 3.06Å; F473-L476 PolarHBondContact O-N 3.39Å; M474-L476 PolarHBondContact O-N 3.2Å; L476-V478 PolarHBondContact O-N 2.87Å; L476-G479 PolarHBondContact O-N 3.11Å; L476-I480 PolarHBondContact O-N 2.98Å |
| 477 | L | 96.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 28.9 Ų | 28.9 | 22% | 0.22 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59 | -33.9 | 176.8 | -177.7 | 62.5 | 0 | 0 | 0 | 112.1 | P438 F473 M474 G479 I480 T481 | P438-L477 HydrophobicContact CG-CD2 4.25Å; F473-L477 HydrophobicContact CE1-CD2 4.1Å; F473-L477 HydrophobicContact CE2-CB 4.47Å; F473-L477 HydrophobicContact CE2-CD1 4.37Å; F473-L477 HydrophobicContact CZ-CD1 4.28Å; F473-L477 HydrophobicContact CZ-CD2 3.89Å; F473-L477 HydrophobicContact CZ-CG 4.47Å; F473-L477 VanDerWaalsContact O-CB 3.29Å; F473-L477 WeakPolarHBondContact O-CB 3.31Å; F473-L477 PolarHBondContact O-N 2.89Å; M474-L477 PolarHBondContact O-N 3.18Å; M474-L477 HydrophobicContact SD-CD2 3.99Å; L477-G479 VanDerWaalsContact C-N 3.32Å; L477-G479 PolarHBondContact O-N 3.38Å; L477-I480 PolarHBondContact O-N 3.15Å; L477-T481 HydrophobicContact CD1-CG2 4.1Å; L477-T481 HydrophobicContact CG-CG2 4.14Å; L477-T481 WeakPolarHBondContact O-CB 3.36Å; L477-T481 VanDerWaalsContact O-CG2 3.29Å; L477-T481 WeakPolarHBondContact O-CG2 3.41Å; L477-T481 PolarHBondContact O-N 3.2Å; L477-T481 PolarHBondContact O-OG1 3.41Å |
| 478 | V | 93.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.6 | -47 | 172.2 | 168.2 | 0 | 0 | 0 | 0 | 111.8 | L249 Y435 P438 L476 T481 S482 | L249-V478 HydrophobicContact CD2-CG1 4.02Å; Y435-V478 HydrophobicContact CD2-CB 4.46Å; Y435-V478 HydrophobicContact CD2-CG1 3.58Å; Y435-V478 HydrophobicContact CD2-CG2 4.13Å; Y435-V478 HydrophobicContact CE2-CB 4.22Å; Y435-V478 HydrophobicContact CE2-CG1 3.15Å; Y435-V478 HydrophobicContact CE2-CG2 3.99Å; P438-V478 HydrophobicContact CB-CG2 3.77Å; P438-V478 HydrophobicContact CG-CG2 4.29Å; L476-V478 PolarHBondContact O-N 2.87Å; V478-T481 PolarHBondContact O-OG1 3.49Å; V478-S482 PolarHBondContact O-N 3.3Å |
| 479 | G | 93.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | T225 L476 L477 T481 S482 G483 | T225-G479 WeakPolarHBondContact CG2-O 3.31Å; L476-G479 PolarHBondContact O-N 3.11Å; L477-G479 VanDerWaalsContact C-N 3.32Å; L477-G479 PolarHBondContact O-N 3.38Å; G479-T481 PolarHBondContact O-N 3.45Å; G479-S482 PolarHBondContact O-N 3.35Å; G479-S482 PolarHBondContact O-OG 3.48Å; G479-G483 PolarHBondContact O-N 3.5Å |
| 480 | I | 93.2 | Very high | 87.2 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 17% | 0.174 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -48 | 178 | -62.3 | 171.3 | 0 | 0 | 0 | 110.8 | W217 L220 C221 S224 L476 L477 S482 G483 | W217-I480 HydrophobicContact CE3-CD1 3.85Å; W217-I480 HydrophobicContact CZ3-CD1 4.16Å; L220-I480 HydrophobicContact CB-CD1 3.95Å; L220-I480 HydrophobicContact CB-CG1 4.43Å; C221-I480 HydrophobicContact CB-CG1 4.08Å; S224-I480 PolarHBondContact OG-O 3.3Å; L476-I480 PolarHBondContact O-N 2.98Å; L477-I480 PolarHBondContact O-N 3.15Å; I480-S482 VanDerWaalsContact C-N 3.34Å; I480-S482 PolarHBondContact O-N 2.64Å; I480-G483 PolarHBondContact O-N 3.19Å |
| 481 | T | 90.3 | Very high | 86.2 | Confident | 24 Ų | 24 | 37.7 Ų | 37.7 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -34 | 179.8 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | L477 V478 G479 G483 M484 | L477-T481 HydrophobicContact CD1-CG2 4.1Å; L477-T481 HydrophobicContact CG-CG2 4.14Å; L477-T481 WeakPolarHBondContact O-CB 3.36Å; L477-T481 VanDerWaalsContact O-CG2 3.29Å; L477-T481 WeakPolarHBondContact O-CG2 3.41Å; L477-T481 PolarHBondContact O-N 3.2Å; L477-T481 PolarHBondContact O-OG1 3.41Å; V478-T481 PolarHBondContact O-OG1 3.49Å; G479-T481 PolarHBondContact O-N 3.45Å; T481-G483 PolarHBondContact O-N 3.23Å; T481-M484 HydrophobicContact CG2-CE 3.64Å; T481-M484 WeakPolarHBondContact O-CB 3.29Å; T481-M484 PolarHBondContact O-N 3.21Å |
| 482 | S | 85.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.1 | -34.6 | 173.4 | 79.6 | 0 | 0 | 0 | 0 | 112.7 | S250 V478 G479 I480 W485 | S250-S482 PolarHBondContact OG-OG 3.11Å; S250-S482 VanDerWaalsContact OG-OG 3.04Å; V478-S482 PolarHBondContact O-N 3.3Å; G479-S482 PolarHBondContact O-N 3.35Å; G479-S482 PolarHBondContact O-OG 3.48Å; I480-S482 VanDerWaalsContact C-N 3.34Å; I480-S482 PolarHBondContact O-N 2.64Å; S482-W485 WeakPolarHBondContact O-CB 3.22Å; S482-W485 PolarHBondContact O-N 3.28Å |
| 483 | G | 77.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.5 | -25.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | S224 T228 G479 I480 T481 W485 I486 W487 | S224-G483 WeakPolarHBondContact OG-CA 3.47Å; T228-G483 WeakPolarHBondContact OG1-CA 3.43Å; G479-G483 PolarHBondContact O-N 3.5Å; I480-G483 PolarHBondContact O-N 3.19Å; T481-G483 PolarHBondContact O-N 3.23Å; G483-W485 PolarHBondContact O-N 2.88Å; G483-I486 PolarHBondContact O-N 3.44Å; G483-W487 VanDerWaalsContact O-CD1 3.29Å |
| 484 | M | 76.3 | Confident | 83.1 | Confident | 100 Ų | 100 | 47.2 Ų | 47.2 | 49% | 0.493 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.1 | -24 | 170.9 | -63.7 | -167.1 | -75.9 | 0 | 0 | 112.1 | T481 I486 W487 | T481-M484 HydrophobicContact CG2-CE 3.64Å; T481-M484 WeakPolarHBondContact O-CB 3.29Å; T481-M484 PolarHBondContact O-N 3.21Å; M484-I486 PolarHBondContact O-N 2.03Å; M484-W487 PolarHBondContact O-N 2.91Å |
| 485 | W | 74 | Confident | 82.3 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 6% | 0.064 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -36.8 | 178.7 | -175.4 | -101.5 | 0 | 0 | 0 | 113.1 | E243 I246 K427 I428 F431 S482 G483 | E243-W485 HydrophobicContact CG-CZ2 4.13Å; E243-W485 PolarHBondContact OE2-NE1 2.84Å; I246-W485 HydrophobicContact CD1-CD2 3.75Å; I246-W485 HydrophobicContact CD1-CE3 4.15Å; I246-W485 HydrophobicContact CD1-CG 4.14Å; I246-W485 HydrophobicContact CD1-CH2 4.34Å; I246-W485 HydrophobicContact CD1-CZ2 3.98Å; I246-W485 HydrophobicContact CD1-CZ3 4.4Å; I246-W485 HydrophobicContact CG2-CB 4.37Å; I246-W485 HydrophobicContact CG2-CG 4.26Å; K427-W485 HydrophobicContact CB-CH2 3.83Å; K427-W485 HydrophobicContact CB-CZ3 4.17Å; K427-W485 HydrophobicContact CD-CE3 4.23Å; K427-W485 HydrophobicContact CD-CH2 3.32Å; K427-W485 HydrophobicContact CD-CZ2 3.81Å; K427-W485 HydrophobicContact CD-CZ3 3.57Å; K427-W485 HydrophobicContact CG-CE3 4.38Å; K427-W485 HydrophobicContact CG-CH2 3.46Å; K427-W485 VanDerWaalsContact CG-CH2 3.46Å; K427-W485 HydrophobicContact CG-CZ2 4.42Å; K427-W485 HydrophobicContact CG-CZ3 3.44Å; K427-W485 VanDerWaalsContact CG-CZ3 3.44Å; K427-W485 PolarHBondContact NZ-O 2.82Å; K427-W485 VanDerWaalsContact NZ-O 3.17Å; K427-W485 WeakPolarHBondContact O-CZ3 3.11Å; I428-W485 HydrophobicContact CB-CH2 4.29Å; I428-W485 HydrophobicContact CG1-CH2 3.53Å; I428-W485 HydrophobicContact CG1-CZ2 3.88Å; F431-W485 HydrophobicContact CB-CE3 4.05Å; F431-W485 HydrophobicContact CB-CZ3 3.75Å; F431-W485 HydrophobicContact CD2-CE3 4.1Å; F431-W485 HydrophobicContact CG-CE3 4.04Å; F431-W485 HydrophobicContact CG-CZ3 4.22Å; S482-W485 WeakPolarHBondContact O-CB 3.22Å; S482-W485 PolarHBondContact O-N 3.28Å; G483-W485 PolarHBondContact O-N 2.88Å |
| 486 | I | 73.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -11.7 | -172.8 | -62.8 | -162.3 | 0 | 0 | 0 | 111.7 | T228 T231 F239 I247 G483 M484 S488 T491 | T228-I486 HydrophobicContact CG2-CD1 3.22Å; T228-I486 HydrophobicContact CG2-CG1 3.89Å; T231-I486 HydrophobicContact CG2-CG2 3.55Å; F239-I486 HydrophobicContact CE1-CD1 4.08Å; F239-I486 HydrophobicContact CE1-CG1 4.21Å; F239-I486 HydrophobicContact CZ-CD1 3.82Å; F239-I486 HydrophobicContact CZ-CG1 4.24Å; F239-I486 HydrophobicContact CZ-CG2 4.49Å; I247-I486 HydrophobicContact CD1-CD1 3.77Å; G483-I486 PolarHBondContact O-N 3.44Å; M484-I486 PolarHBondContact O-N 2.03Å; I486-S488 PolarHBondContact O-N 3.41Å; I486-S488 PolarHBondContact O-OG 3.24Å; I486-T491 HydrophobicContact CG2-CG2 3.83Å; I486-T491 WeakPolarHBondContact CG2-OG1 3.04Å; I486-T491 VanDerWaalsContact O-CB 3.3Å; I486-T491 WeakPolarHBondContact O-CB 3.06Å; I486-T491 PolarHBondContact O-OG1 3.42Å |
| 487 | W | 74.1 | Confident | 80.6 | Confident | 171 Ų | 171 | 60.7 Ų | 60.7 | 65% | 0.648 | 29% | 0.292 | S | S | * | . | trans | -66.1 | 102.8 | 177.7 | -69.4 | 7.9 | 0 | 0 | 0 | 110.6 | G483 M484 | G483-W487 VanDerWaalsContact O-CD1 3.29Å; M484-W487 PolarHBondContact O-N 2.91Å | ||
| 488 | S | 74.1 | Confident | 79.7 | Confident | 47 Ų | 47 | 60 Ų | 60 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -154.7 | 155.1 | -179.8 | 61.8 | 0 | 0 | 0 | 0 | 109.8 | R238 I486 K490 T491 L492 | R238-S488 PolarHBondContact NH2-OG 2.77Å; I486-S488 PolarHBondContact O-N 3.41Å; I486-S488 PolarHBondContact O-OG 3.24Å; S488-K490 PolarHBondContact O-N 3.35Å; S488-K490 VanDerWaalsContact O-N 3.13Å; S488-T491 WeakPolarHBondContact O-CB 3.19Å; S488-T491 PolarHBondContact O-N 3.37Å; S488-T491 PolarHBondContact OG-N 3.48Å; S488-T491 PolarHBondContact OG-OG1 2.89Å; S488-T491 VanDerWaalsContact OG-OG1 3.05Å; S488-L492 PolarHBondContact O-N 3.33Å |
| 489 | A | 72.3 | Confident | 79 | Confident | 73 Ų | 73 | 62.1 Ų | 62.1 | 60% | 0.603 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -54.7 | -32.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T491 L492 H493 | A489-T491 PolarHBondContact O-N 3.32Å; A489-L492 PolarHBondContact O-N 3.39Å; A489-H493 PolarHBondContact O-CD2 3.31Å; A489-H493 VanDerWaalsContact O-CD2 3.23Å; A489-H493 PolarHBondContact O-N 2.97Å |
| 490 | K | 73.3 | Confident | 78.3 | Confident | 148 Ų | 148 | 66.1 Ų | 66.1 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 174.7 | -66.3 | -175.4 | 179.4 | -177.6 | 0 | 112.4 | S488 H493 T494 | S488-K490 PolarHBondContact O-N 3.35Å; S488-K490 VanDerWaalsContact O-N 3.13Å; K490-H493 PolarHBondContact O-N 3.36Å; K490-T494 PolarHBondContact O-N 2.04Å; K490-T494 PolarHBondContact O-OG1 3.45Å; K490-T494 VanDerWaalsContact O-OG1 3.09Å |
| 491 | T | 76.3 | Confident | 77.5 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | T231 R238 I486 S488 A489 H493 T494 W495 | T231-T491 HydrophobicContact CG2-CG2 3.93Å; R238-T491 PolarHBondContact NH1-OG1 3.33Å; R238-T491 VanDerWaalsContact NH1-OG1 3.07Å; I486-T491 HydrophobicContact CG2-CG2 3.83Å; I486-T491 WeakPolarHBondContact CG2-OG1 3.04Å; I486-T491 VanDerWaalsContact O-CB 3.3Å; I486-T491 WeakPolarHBondContact O-CB 3.06Å; I486-T491 PolarHBondContact O-OG1 3.42Å; S488-T491 WeakPolarHBondContact O-CB 3.19Å; S488-T491 PolarHBondContact O-N 3.37Å; S488-T491 PolarHBondContact OG-N 3.48Å; S488-T491 PolarHBondContact OG-OG1 2.89Å; S488-T491 VanDerWaalsContact OG-OG1 3.05Å; A489-T491 PolarHBondContact O-N 3.32Å; T491-H493 VanDerWaalsContact C-N 3.3Å; T491-H493 PolarHBondContact O-N 3.15Å; T491-T494 PolarHBondContact O-N 3.08Å; T491-W495 VanDerWaalsContact O-CD1 3.22Å; T491-W495 PolarHBondContact O-N 3.38Å |
| 492 | L | 75.4 | Confident | 76.8 | Confident | 107 Ų | 107 | 75.1 Ų | 75.1 | 56% | 0.56 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58.3 | -43.1 | 176 | -172.9 | 67.4 | 0 | 0 | 0 | 111.6 | S488 A489 W495 Q496 | S488-L492 PolarHBondContact O-N 3.33Å; A489-L492 PolarHBondContact O-N 3.39Å; L492-W495 PolarHBondContact O-N 2.84Å; L492-Q496 WeakPolarHBondContact O-CB 3.44Å; L492-Q496 VanDerWaalsContact O-CG 3.24Å; L492-Q496 WeakPolarHBondContact O-CG 3.22Å; L492-Q496 PolarHBondContact O-N 2.96Å |
| 493 | H | 78.3 | Confident | 76.3 | Confident | 123 Ų | 123 | 79.8 Ų | 79.8 | 57% | 0.569 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 175.5 | -77.2 | -56.9 | 0 | 0 | 0 | 113.4 | A489 K490 T491 W495 Q496 R497 | A489-H493 PolarHBondContact O-CD2 3.31Å; A489-H493 VanDerWaalsContact O-CD2 3.23Å; A489-H493 PolarHBondContact O-N 2.97Å; K490-H493 PolarHBondContact O-N 3.36Å; T491-H493 VanDerWaalsContact C-N 3.3Å; T491-H493 PolarHBondContact O-N 3.15Å; H493-W495 VanDerWaalsContact C-N 3.33Å; H493-W495 PolarHBondContact O-N 2.89Å; H493-Q496 PolarHBondContact ND1-OE1 2.7Å; H493-Q496 PolarHBondContact O-N 3.49Å; H493-R497 WeakPolarHBondContact O-CB 3.45Å; H493-R497 PolarHBondContact O-N 3.4Å |
| 494 | T | 76.4 | Confident | 76.1 | Confident | 30 Ų | 30 | 88.3 Ų | 88.3 | 18% | 0.184 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 174.6 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | L234 D235 K490 T491 R497 C498 | L234-T494 HydrophobicContact CB-CG2 4.24Å; D235-T494 HydrophobicContact CB-CG2 4.31Å; K490-T494 PolarHBondContact O-N 2.04Å; K490-T494 PolarHBondContact O-OG1 3.45Å; K490-T494 VanDerWaalsContact O-OG1 3.09Å; T491-T494 PolarHBondContact O-N 3.08Å; T494-R497 PolarHBondContact O-N 2.77Å; T494-C498 WeakPolarHBondContact O-CB 3.49Å; T494-C498 PolarHBondContact O-N 3.45Å |
| 495 | W | 80.4 | Confident | 75.7 | Confident | 80 Ų | 80 | 88.1 Ų | 88.1 | 30% | 0.303 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.9 | -35.5 | 178 | -79.5 | 94.5 | 0 | 0 | 0 | 113.2 | L227 L230 T231 L234 T491 L492 H493 C498 S499 | L227-W495 HydrophobicContact CD1-CH2 4.35Å; L227-W495 HydrophobicContact CD1-CZ2 3.59Å; L230-W495 HydrophobicContact CB-CH2 4Å; L230-W495 HydrophobicContact CB-CZ2 3.87Å; L230-W495 HydrophobicContact CD1-CH2 4.05Å; T231-W495 PolarHBondContact OG1-NE1 2.91Å; L234-W495 HydrophobicContact CD1-CD2 4.32Å; L234-W495 HydrophobicContact CD1-CH2 4.32Å; L234-W495 HydrophobicContact CD1-CZ2 4.1Å; T491-W495 VanDerWaalsContact O-CD1 3.22Å; T491-W495 PolarHBondContact O-N 3.38Å; L492-W495 PolarHBondContact O-N 2.84Å; H493-W495 VanDerWaalsContact C-N 3.33Å; H493-W495 PolarHBondContact O-N 2.89Å; W495-C498 PolarHBondContact O-N 3.09Å; W495-S499 WeakPolarHBondContact O-CB 3.42Å; W495-S499 PolarHBondContact O-N 2.83Å; W495-S499 PolarHBondContact O-OG 2.99Å |
| 496 | Q | 80.1 | Confident | 75.1 | Confident | 90 Ų | 90 | 90.7 Ų | 90.7 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 170.4 | -76.7 | 172.6 | -8.7 | 0 | 0 | 111.5 | L492 H493 S499 T500 | L492-Q496 WeakPolarHBondContact O-CB 3.44Å; L492-Q496 VanDerWaalsContact O-CG 3.24Å; L492-Q496 WeakPolarHBondContact O-CG 3.22Å; L492-Q496 PolarHBondContact O-N 2.96Å; H493-Q496 PolarHBondContact ND1-OE1 2.7Å; H493-Q496 PolarHBondContact O-N 3.49Å; Q496-S499 WeakPolarHBondContact CA-OG 3.44Å; Q496-S499 PolarHBondContact O-OG 3.4Å; Q496-T500 WeakPolarHBondContact O-CB 3.45Å; Q496-T500 VanDerWaalsContact O-CG2 3.25Å; Q496-T500 WeakPolarHBondContact O-CG2 3.49Å; Q496-T500 PolarHBondContact O-N 2.69Å; Q496-T500 PolarHBondContact O-OG1 3.21Å |
| 497 | R | 78.4 | Confident | 74.5 | Confident | 166 Ų | 166 | 99.4 Ų | 99.4 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68 | -37.8 | 177.5 | -162.4 | 179 | -160.3 | 179.4 | 4.3 | 112.1 | H493 T494 T500 R501 | H493-R497 WeakPolarHBondContact O-CB 3.45Å; H493-R497 PolarHBondContact O-N 3.4Å; T494-R497 PolarHBondContact O-N 2.77Å; R497-T500 WeakPolarHBondContact CA-OG1 3.36Å; R497-T500 PolarHBondContact O-OG1 2.8Å; R497-R501 WeakPolarHBondContact O-CB 3.39Å; R497-R501 VanDerWaalsContact O-CG 3.25Å; R497-R501 WeakPolarHBondContact O-CG 3.31Å; R497-R501 PolarHBondContact O-N 3.45Å; R497-R501 VanDerWaalsContact O-N 3.14Å |
| 498 | C | 77 | Confident | 73.7 | Confident | 28 Ų | 28 | 94.3 Ų | 94.3 | 19% | 0.189 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -68 | -50 | 176.1 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | L234 T494 W495 T500 R501 L502 | L234-C498 HydrophobicContact CD1-CB 4.32Å; T494-C498 WeakPolarHBondContact O-CB 3.49Å; T494-C498 PolarHBondContact O-N 3.45Å; W495-C498 PolarHBondContact O-N 3.09Å; C498-T500 VanDerWaalsContact C-N 3.34Å; C498-T500 PolarHBondContact O-N 3.02Å; C498-R501 WeakPolarHBondContact O-CB 3Å; C498-R501 PolarHBondContact O-N 2.97Å; C498-R501 VanDerWaalsContact O-N 3.15Å; C498-L502 WeakPolarHBondContact O-CG 3.27Å; C498-L502 PolarHBondContact O-N 3.44Å |
| 499 | S | 79.3 | Confident | 72.8 | Confident | 52 Ų | 52 | 96.3 Ų | 96.3 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 178.2 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | W495 Q496 L502 L503 | W495-S499 WeakPolarHBondContact O-CB 3.42Å; W495-S499 PolarHBondContact O-N 2.83Å; W495-S499 PolarHBondContact O-OG 2.99Å; Q496-S499 WeakPolarHBondContact CA-OG 3.44Å; Q496-S499 PolarHBondContact O-OG 3.4Å; S499-L502 PolarHBondContact O-N 3.16Å; S499-L503 VanDerWaalsContact O-CB 3.29Å; S499-L503 WeakPolarHBondContact O-CB 3.37Å; S499-L503 WeakPolarHBondContact O-CD1 3.26Å; S499-L503 WeakPolarHBondContact O-CG 3.11Å; S499-L503 PolarHBondContact O-N 3.42Å |
| 500 | T | 78.4 | Confident | 72 | Confident | 83 Ų | 83 | 103.1 Ų | 103.1 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 174.8 | 49 | 0 | 0 | 0 | 0 | 112.7 | Q496 R497 C498 R504 | Q496-T500 WeakPolarHBondContact O-CB 3.45Å; Q496-T500 VanDerWaalsContact O-CG2 3.25Å; Q496-T500 WeakPolarHBondContact O-CG2 3.49Å; Q496-T500 PolarHBondContact O-N 2.69Å; Q496-T500 PolarHBondContact O-OG1 3.21Å; R497-T500 WeakPolarHBondContact CA-OG1 3.36Å; R497-T500 PolarHBondContact O-OG1 2.8Å; C498-T500 VanDerWaalsContact C-N 3.34Å; C498-T500 PolarHBondContact O-N 3.02Å; T500-R504 WeakPolarHBondContact O-CB 3.23Å; T500-R504 PolarHBondContact O-N 2.97Å |
| 501 | R | 76.5 | Confident | 70.9 | Confident | 140 Ų | 140 | 98.3 Ų | 98.3 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -48.7 | 172.9 | -75.5 | 174.3 | 178 | -174.4 | -1.9 | 112.1 | R497 C498 L503 R504 D505 | R497-R501 WeakPolarHBondContact O-CB 3.39Å; R497-R501 VanDerWaalsContact O-CG 3.25Å; R497-R501 WeakPolarHBondContact O-CG 3.31Å; R497-R501 PolarHBondContact O-N 3.45Å; R497-R501 VanDerWaalsContact O-N 3.14Å; C498-R501 WeakPolarHBondContact O-CB 3Å; C498-R501 PolarHBondContact O-N 2.97Å; C498-R501 VanDerWaalsContact O-N 3.15Å; R501-L503 VanDerWaalsContact C-N 3.32Å; R501-L503 PolarHBondContact O-N 3.03Å; R501-R504 WeakPolarHBondContact O-CA 3.12Å; R501-R504 WeakPolarHBondContact O-CB 3.45Å; R501-R504 PolarHBondContact O-N 3.29Å; R501-D505 PolarHBondContact O-N 3.3Å |
| 502 | L | 75.8 | Confident | 69.5 | Low | 107 Ų | 107 | 101 Ų | 101 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -40 | 177.7 | -72.4 | 169.6 | 0 | 0 | 0 | 112.3 | C498 S499 R504 S506 | C498-L502 WeakPolarHBondContact O-CG 3.27Å; C498-L502 PolarHBondContact O-N 3.44Å; S499-L502 PolarHBondContact O-N 3.16Å; L502-R504 VanDerWaalsContact C-N 3.34Å; L502-S506 VanDerWaalsContact O-CB 3.26Å; L502-S506 WeakPolarHBondContact O-CB 3.45Å; L502-S506 PolarHBondContact O-N 3.35Å; L502-S506 PolarHBondContact O-OG 2.92Å |
| 503 | L | 75.7 | Confident | 68 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -34.1 | 174 | -73.5 | 168.8 | 0 | 0 | 0 | 112.2 | S499 R501 R507 | S499-L503 VanDerWaalsContact O-CB 3.29Å; S499-L503 WeakPolarHBondContact O-CB 3.37Å; S499-L503 WeakPolarHBondContact O-CD1 3.26Å; S499-L503 WeakPolarHBondContact O-CG 3.11Å; S499-L503 PolarHBondContact O-N 3.42Å; R501-L503 VanDerWaalsContact C-N 3.32Å; R501-L503 PolarHBondContact O-N 3.03Å; L503-R507 WeakPolarHBondContact O-CB 3.49Å; L503-R507 WeakPolarHBondContact O-CG 3.22Å; L503-R507 PolarHBondContact O-N 2.95Å; L503-R507 VanDerWaalsContact O-N 3.09Å |
| 504 | R | 72.2 | Confident | 66.2 | Low | 179 Ų | 179 | 110.1 Ų | 110.1 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.6 | -44.6 | 176.2 | -165.7 | 177.6 | 80.6 | 168.7 | 8.2 | 111.5 | T500 R501 L502 R507 A508 | T500-R504 WeakPolarHBondContact O-CB 3.23Å; T500-R504 PolarHBondContact O-N 2.97Å; R501-R504 WeakPolarHBondContact O-CA 3.12Å; R501-R504 WeakPolarHBondContact O-CB 3.45Å; R501-R504 PolarHBondContact O-N 3.29Å; L502-R504 VanDerWaalsContact C-N 3.34Å; R504-R507 CarbonylContact O-C 3.46Å; R504-R507 PolarHBondContact O-N 2.79Å; R504-A508 WeakPolarHBondContact O-CB 3.09Å; R504-A508 PolarHBondContact O-N 2.81Å |
| 505 | D | 67.9 | Low | 64.2 | Low | 96 Ų | 96 | 112.8 Ų | 112.8 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.4 | -36.5 | 178.1 | -69.5 | -13.2 | 0 | 0 | 0 | 111.5 | R501 R507 A508 S509 | R501-D505 PolarHBondContact O-N 3.3Å; D505-R507 VanDerWaalsContact C-N 3.31Å; D505-R507 PolarHBondContact O-N 3.25Å; D505-A508 PolarHBondContact O-N 3.25Å; D505-S509 WeakPolarHBondContact O-CB 3.06Å; D505-S509 PolarHBondContact O-N 3.2Å |
| 506 | S | 61.7 | Low | 62.1 | Low | 71 Ų | 71 | 114.9 Ų | 114.9 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.7 | -35.3 | 171.6 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | L502 R510 | L502-S506 VanDerWaalsContact O-CB 3.26Å; L502-S506 WeakPolarHBondContact O-CB 3.45Å; L502-S506 PolarHBondContact O-N 3.35Å; L502-S506 PolarHBondContact O-OG 2.92Å; S506-R510 PolarHBondContact O-N 2.03Å |
| 507 | R | 60.8 | Low | 60.1 | Low | 187 Ų | 187 | 117.5 Ų | 117.5 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.5 | -37.7 | 173.8 | -78.1 | 179.8 | -171.6 | 178.2 | 5 | 112.4 | L503 R504 D505 R510 G511 | L503-R507 WeakPolarHBondContact O-CB 3.49Å; L503-R507 WeakPolarHBondContact O-CG 3.22Å; L503-R507 PolarHBondContact O-N 2.95Å; L503-R507 VanDerWaalsContact O-N 3.09Å; R504-R507 CarbonylContact O-C 3.46Å; R504-R507 PolarHBondContact O-N 2.79Å; D505-R507 VanDerWaalsContact C-N 3.31Å; D505-R507 PolarHBondContact O-N 3.25Å; R507-R510 PolarHBondContact O-N 3.23Å; R507-G511 PolarHBondContact O-N 3.12Å |
| 508 | A | 58.4 | Low | 57.9 | Low | 63 Ų | 63 | 118.1 Ų | 118.1 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.1 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R504 D505 R510 G511 G512 | R504-A508 WeakPolarHBondContact O-CB 3.09Å; R504-A508 PolarHBondContact O-N 2.81Å; D505-A508 PolarHBondContact O-N 3.25Å; A508-R510 PolarHBondContact O-N 3.13Å; A508-G511 PolarHBondContact O-N 3.04Å; A508-G512 PolarHBondContact O-N 3.11Å |
| 509 | S | 55.1 | Low | 55.7 | Low | 90 Ų | 90 | 121.2 Ų | 121.2 | 63% | 0.629 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.8 | -36 | 173.9 | -177.8 | 0 | 0 | 0 | 0 | 112.9 | D505 | D505-S509 WeakPolarHBondContact O-CB 3.06Å; D505-S509 PolarHBondContact O-N 3.2Å |
| 510 | R | 54.6 | Low | 53.5 | Low | 215 Ų | 215 | 130.6 Ų | 130.6 | 81% | 0.811 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -76.3 | -30.6 | 172.1 | -80.6 | -177.7 | -179.5 | 177.5 | 0.8 | 113.7 | S506 R507 A508 | S506-R510 PolarHBondContact O-N 2.03Å; R507-R510 PolarHBondContact O-N 3.23Å; A508-R510 PolarHBondContact O-N 3.13Å |
| 511 | G | 49.7 | Very low | 51.3 | Low | 48 Ų | 48 | 133.5 Ų | 133.5 | 50% | 0.495 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -76.7 | -30.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R507 A508 K513 R514 | R507-G511 PolarHBondContact O-N 3.12Å; A508-G511 PolarHBondContact O-N 3.04Å; G511-K513 PolarHBondContact O-N 3.44Å; G511-K513 VanDerWaalsContact O-N 3.15Å; G511-R514 PolarHBondContact O-N 3.04Å |
| 512 | G | 46.6 | Very low | 49.4 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -5.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A508 | A508-G512 PolarHBondContact O-N 3.11Š|
| 513 | K | 45.3 | Very low | 47.5 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 7.3 | 173 | -72.8 | -171.2 | 176.9 | -175.3 | 0 | 114.1 | G511 | G511-K513 PolarHBondContact O-N 3.44Å; G511-K513 VanDerWaalsContact O-N 3.15Å |
| 514 | R | 39.8 | Very low | 45.5 | Very low | 234 Ų | 234 | 135.5 Ų | 135.5 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | trans | -135.2 | 73.4 | 171.6 | -76.1 | -175.8 | -179.1 | 173.7 | -0.9 | 110.8 | G511 | G511-R514 PolarHBondContact O-N 3.04Š| ||
| 515 | A | 33.9 | Very low | 43.8 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | trans | -116.2 | 121.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 516 | P | 38 | Very low | 42.2 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | trans | -66 | 136.9 | 168.3 | -8.8 | 24.6 | 0 | 0 | 0 | 108.6 | E518 | P516-E518 PolarHBondContact O-N 2.79Š| ||
| 517 | V | 36.7 | Very low | 40.9 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | -62 | 103.4 | 170.3 | 173.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 518 | E | 33.4 | Very low | 39.8 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -83.4 | 128 | 162.2 | -103.2 | 176.3 | 171.2 | 0 | 0 | 109.1 | P516 | P516-E518 PolarHBondContact O-N 2.79Š| ||
| 519 | S | 30.5 | Very low | 38.8 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 124 | -171 | 49 | 0 | 0 | 0 | 0 | 112.3 | I521 | S519-I521 PolarHBondContact O-N 3.14Å; S519-I521 VanDerWaalsContact O-N 3.17Å | ||
| 520 | W | 31.7 | Very low | 37.9 | Very low | 250 Ų | 250 | 146.1 Ų | 146.1 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | trans | -79.5 | 90.1 | 162.6 | -77 | 87.4 | 0 | 0 | 0 | 109.5 | ||||
| 521 | I | 33.5 | Very low | 37 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | -84 | 112 | 163.4 | -61.7 | 175.9 | 0 | 0 | 0 | 107.6 | S519 | S519-I521 PolarHBondContact O-N 3.14Å; S519-I521 VanDerWaalsContact O-N 3.17Å | ||
| 522 | K | 36.5 | Very low | 36.3 | Very low | 189 Ų | 189 | 151 Ų | 151 | 82% | 0.822 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 131.1 | 166.4 | -73.9 | -176.9 | 177 | 179.9 | 0 | 109.5 | ||
| 523 | P | 35.2 | Very low | 35.8 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 79% | 0.792 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 134 | 158.5 | 27.5 | -17.1 | 0 | 0 | 0 | 110.1 | ||
| 524 | G | 33.8 | Very low | 35.3 | Very low | 77 Ų | 77 | 153.6 Ų | 153.6 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -71 | 154.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 525 | K | 36.4 | Very low | 35 | Very low | 216 Ų | 216 | 148.9 Ų | 148.9 | 94% | 0.939 | 84% | 0.844 | S | S | * | * | trans | -113.8 | 120.4 | 160.8 | -87.3 | -174.5 | 172.8 | -176 | 0 | 108 | ||||
| 526 | G | 33.8 | Very low | 35.1 | Very low | 77 Ų | 77 | 152.9 Ų | 152.9 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | trans | -72.7 | 158.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 527 | N | 35.7 | Very low | 34.9 | Very low | 160 Ų | 160 | 154.8 Ų | 154.8 | 86% | 0.856 | 86% | 0.856 | S | S | * | * | trans | -59.7 | 138.3 | 175.7 | -71.9 | -20.1 | 0 | 0 | 0 | 112.7 | ||||
| 528 | E | 37.3 | Very low | 34.8 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 93% | 0.925 | 85% | 0.854 | S | S | * | * | trans | -130.4 | 116.8 | 144.4 | -81.6 | -176.7 | 148 | 0 | 0 | 108.4 | ||||
| 529 | T | 37.8 | Very low | 34.9 | Very low | 126 Ų | 126 | 153.7 Ų | 153.7 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | trans | -94.2 | 141.7 | 159.2 | 44.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 530 | V | 35.8 | Very low | 35.2 | Very low | 133 Ų | 133 | 158.8 Ų | 158.8 | 81% | 0.806 | 87% | 0.873 | S | S | * | * | trans | 173.7 | 120.1 | 134.9 | 159 | 0 | 0 | 0 | 0 | 109 | ||||
| 531 | V | 35.3 | Very low | 35.5 | Very low | 214 Ų | 214 | 150.5 Ų | 150.5 | 100% | 1.297 | 87% | 0.866 | S | S | * | * | trans | 58.7 | 0 | 157.8 | -175.6 | 0 | 0 | 0 | 0 | 119.2 |
Retrieved 531 of 531 residues in 161.6 ms
(Link to these results)