| 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 | 34 | Very low | 38.8 | Very low | 235 Ų | 235 | 147.6 Ų | 147.6 | 100% | 1.158 | 85% | 0.852 | S | S | * | * | 0 | 118.5 | 0 | -91.7 | 165.7 | 144.7 | 0 | 0 | 108.2 | |||||
| 2 | T | 33.6 | Very low | 39.4 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | trans | 49.9 | 104.7 | 147.8 | 50.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | S | 32 | Very low | 40.1 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 78% | 0.783 | 84% | 0.841 | S | S | * | * | 79.7 | 133 | 94.5 | 71.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 4 | S | 33.1 | Very low | 40.7 | Very low | 121 Ų | 121 | 155.5 Ų | 155.5 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | -166.5 | 164.2 | 57.9 | 48.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 5 | E | 35.9 | Very low | 41.4 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -83 | 161.6 | -173.1 | -66.7 | 171.2 | 120 | 0 | 0 | 116.8 | ||||
| 6 | A | 38.3 | Very low | 42 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 81 | 117.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 7 | S | 38.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | -167 | 88.2 | 123.3 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 8 | N | 46.8 | Very low | 43 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -93.2 | 118.9 | 169.1 | -109.2 | -18.5 | 0 | 0 | 0 | 107.7 | ||||
| 9 | G | 47.3 | Very low | 43.4 | Very low | 70 Ų | 70 | 146.7 Ų | 146.7 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -177.2 | -25.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 10 | M | 44.4 | Very low | 43.8 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 84% | 0.837 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -111.2 | -15 | -173.9 | -100 | 169.9 | 54.4 | 0 | 0 | 115.9 | ||
| 11 | W | 42.9 | Very low | 44.2 | Very low | 218 Ų | 218 | 146 Ų | 146 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -86.3 | -19.3 | -174.6 | -88.6 | 82.2 | 0 | 0 | 0 | 115.1 | T15 | W11-T15 PolarHBondContact O-OG1 2.93Å |
| 12 | H | 46.7 | Very low | 45 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -80.5 | -17 | -177.8 | -88.6 | -55.6 | 0 | 0 | 0 | 114.9 | ||
| 13 | R | 48.2 | Very low | 45.9 | Very low | 228 Ų | 228 | 139.4 Ų | 139.4 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -87.4 | -30.5 | 178.7 | -145 | 173.6 | -170.6 | 172.8 | 1.4 | 113.1 | ||
| 14 | K | 48.8 | Very low | 47 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -78 | -30.7 | 176.3 | -91.2 | -175.4 | 174.6 | 179.9 | 0 | 113.7 | R18 | K14-R18 PolarHBondContact O-N 3.05Å |
| 15 | T | 50.9 | Low | 48.1 | Very low | 67 Ų | 67 | 135.5 Ų | 135.5 | 41% | 0.411 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -74 | -34.8 | 179.7 | 34.3 | 0 | 0 | 0 | 0 | 113 | W11 Q19 | W11-T15 PolarHBondContact O-OG1 2.93Å; T15-Q19 PolarHBondContact O-N 3.29Å |
| 16 | K | 50.4 | Low | 48.9 | Very low | 155 Ų | 155 | 133 Ų | 133 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.2 | -38.7 | 178.2 | -127.1 | 177.5 | -176.9 | -179.8 | 0 | 113.1 | Q20 | K16-Q20 PolarHBondContact O-N 3.36Å |
| 17 | A | 52.4 | Low | 49.8 | Very low | 55 Ų | 55 | 131.2 Ų | 131.2 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.5 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q19 Q20 E21 | A17-Q19 PolarHBondContact O-N 3.29Å; A17-Q20 PolarHBondContact O-N 3.21Å; A17-E21 PolarHBondContact O-N 2.77Å; A17-E21 VanDerWaalsContact O-N 3.14Å |
| 18 | R | 50.8 | Low | 50.6 | Low | 200 Ų | 200 | 131 Ų | 131 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.7 | -28.9 | -179.1 | -150.5 | 174.3 | -172.1 | -176.7 | 1.1 | 113.6 | K14 S22 | K14-R18 PolarHBondContact O-N 3.05Å; R18-S22 PolarHBondContact O-N 2.87Å |
| 19 | Q | 50.2 | Low | 51 | Low | 133 Ų | 133 | 126.4 Ų | 126.4 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -77.4 | -22.5 | 173.1 | -99.7 | 175.1 | -19.5 | 0 | 0 | 113.7 | T15 A17 K23 | T15-Q19 PolarHBondContact O-N 3.29Å; A17-Q19 PolarHBondContact O-N 3.29Å; Q19-K23 PolarHBondContact O-N 3.4Å |
| 20 | Q | 52 | Low | 51.5 | Low | 146 Ų | 146 | 129.1 Ų | 129.1 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.1 | -36.8 | 178.3 | -129 | 162.6 | -28.5 | 0 | 0 | 111.4 | K16 A17 S24 | K16-Q20 PolarHBondContact O-N 3.36Å; A17-Q20 PolarHBondContact O-N 3.21Å; Q20-S24 PolarHBondContact O-N 3.14Å |
| 21 | E | 51.8 | Low | 52.4 | Low | 133 Ų | 133 | 126.1 Ų | 126.1 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.6 | -45.8 | 169.6 | -83.8 | 175.3 | 154.6 | 0 | 0 | 112.1 | A17 K23 S24 D25 | A17-E21 PolarHBondContact O-N 2.77Å; A17-E21 VanDerWaalsContact O-N 3.14Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 3.38Å; E21-S24 PolarHBondContact O-N 3.22Å; E21-S24 VanDerWaalsContact O-N 3.17Å; E21-D25 PolarHBondContact O-N 3.42Å |
| 22 | S | 50.3 | Low | 53.3 | Low | 60 Ų | 60 | 120 Ų | 120 | 42% | 0.42 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.8 | -33.6 | -178 | 85.1 | 0 | 0 | 0 | 0 | 113.3 | R18 Q26 | R18-S22 PolarHBondContact O-N 2.87Å; S22-Q26 VanDerWaalsContact O-CB 3.28Å; S22-Q26 WeakPolarHBondContact O-CB 3.44Å; S22-Q26 PolarHBondContact O-N 3.42Å; S22-Q26 VanDerWaalsContact O-N 3.14Å |
| 23 | K | 53.5 | Low | 54.1 | Low | 158 Ų | 158 | 118 Ų | 118 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74 | -33.6 | 175.9 | -79.9 | -174.4 | 175.4 | -175.1 | 0 | 112.6 | Q19 E21 A27 | Q19-K23 PolarHBondContact O-N 3.4Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 3.38Å; K23-A27 WeakPolarHBondContact O-CB 3.36Å; K23-A27 PolarHBondContact O-N 3.36Å; K23-A27 VanDerWaalsContact O-N 3.12Å |
| 24 | S | 54 | Low | 55 | Low | 52 Ų | 52 | 112.5 Ų | 112.5 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.5 | -44.6 | 173.9 | 162.8 | 0 | 0 | 0 | 0 | 111.4 | Q20 E21 A27 K28 | Q20-S24 PolarHBondContact O-N 3.14Å; E21-S24 PolarHBondContact O-N 3.22Å; E21-S24 VanDerWaalsContact O-N 3.17Å; S24-A27 PolarHBondContact O-N 3.03Å; S24-K28 WeakPolarHBondContact O-CG 3.1Å; S24-K28 PolarHBondContact O-N 3.47Å |
| 25 | D | 55.4 | Low | 55.9 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.5 | -35.3 | -178.4 | -71.1 | -18.9 | 0 | 0 | 0 | 112.3 | E21 K28 S29 | E21-D25 PolarHBondContact O-N 3.42Å; D25-K28 PolarHBondContact O-N 2.88Å; D25-S29 WeakPolarHBondContact O-CB 3.15Å; D25-S29 PolarHBondContact O-N 3.28Å |
| 26 | Q | 54.1 | Low | 56.9 | Low | 138 Ų | 138 | 111 Ų | 111 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.4 | -34.7 | 176.1 | -157.3 | 166.2 | 11.9 | 0 | 0 | 112.3 | S22 H30 | S22-Q26 VanDerWaalsContact O-CB 3.28Å; S22-Q26 WeakPolarHBondContact O-CB 3.44Å; S22-Q26 PolarHBondContact O-N 3.42Å; S22-Q26 VanDerWaalsContact O-N 3.14Å; Q26-H30 PolarHBondContact O-N 3.18Å; Q26-H30 VanDerWaalsContact O-N 3.12Å |
| 27 | A | 55.8 | Low | 57.8 | Low | 61 Ų | 61 | 109.3 Ų | 109.3 | 50% | 0.504 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.8 | -41 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K23 S24 H30 E31 | K23-A27 WeakPolarHBondContact O-CB 3.36Å; K23-A27 PolarHBondContact O-N 3.36Å; K23-A27 VanDerWaalsContact O-N 3.12Å; S24-A27 PolarHBondContact O-N 3.03Å; A27-H30 PolarHBondContact O-N 2.91Å; A27-E31 WeakPolarHBondContact O-CB 3.41Å; A27-E31 PolarHBondContact O-N 3.49Å |
| 28 | K | 55.6 | Low | 58.8 | Low | 123 Ų | 123 | 110.1 Ų | 110.1 | 54% | 0.535 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 174.6 | -76.1 | 177.3 | -178.9 | 175.5 | 0 | 112.6 | S24 D25 E31 N32 | S24-K28 WeakPolarHBondContact O-CG 3.1Å; S24-K28 PolarHBondContact O-N 3.47Å; D25-K28 PolarHBondContact O-N 2.88Å; K28-E31 PolarHBondContact O-N 2.95Å; K28-N32 WeakPolarHBondContact O-CB 3.48Å; K28-N32 VanDerWaalsContact O-CG 3.29Å; K28-N32 PolarHBondContact O-N 2.94Å |
| 29 | S | 54.8 | Low | 59.8 | Low | 62 Ų | 62 | 106.9 Ų | 106.9 | 43% | 0.434 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.1 | -168 | 0 | 0 | 0 | 0 | 111.5 | D25 E31 N32 E33 | D25-S29 WeakPolarHBondContact O-CB 3.15Å; D25-S29 PolarHBondContact O-N 3.28Å; S29-E31 PolarHBondContact O-N 3.1Å; S29-N32 PolarHBondContact O-N 3.05Å; S29-E33 PolarHBondContact O-N 3.36Å |
| 30 | H | 57.9 | Low | 60.7 | Low | 127 Ų | 127 | 108.2 Ų | 108.2 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.7 | -33.2 | -179.2 | -135.3 | -45.1 | 0 | 0 | 0 | 112.6 | Q26 A27 L34 | Q26-H30 PolarHBondContact O-N 3.18Å; Q26-H30 VanDerWaalsContact O-N 3.12Å; A27-H30 PolarHBondContact O-N 2.91Å; H30-L34 WeakPolarHBondContact O-CB 3.2Å; H30-L34 PolarHBondContact O-N 3.2Å; H30-L34 VanDerWaalsContact O-N 3.14Å |
| 31 | E | 63.6 | Low | 61.5 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.4 | -34.1 | 175.3 | -156.7 | -169.7 | 145.3 | 0 | 0 | 112.2 | A27 K28 S29 K35 | A27-E31 WeakPolarHBondContact O-CB 3.41Å; A27-E31 PolarHBondContact O-N 3.49Å; K28-E31 PolarHBondContact O-N 2.95Å; S29-E31 PolarHBondContact O-N 3.1Å; E31-K35 WeakPolarHBondContact O-CG 3.28Å; E31-K35 PolarHBondContact O-N 2.94Å; E31-K35 VanDerWaalsContact O-N 3.09Å; E31-K35 IonicContact OE1-NZ 3.7Å; E31-K35 PolarHBondContact OE1-NZ 2.93Å |
| 32 | N | 62.9 | Low | 62.5 | Low | 91 Ų | 91 | 106.1 Ų | 106.1 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.8 | -43 | 173.6 | -75.5 | -9.2 | 0 | 0 | 0 | 111.8 | K28 S29 L34 K35 D36 | K28-N32 WeakPolarHBondContact O-CB 3.48Å; K28-N32 VanDerWaalsContact O-CG 3.29Å; K28-N32 PolarHBondContact O-N 2.94Å; S29-N32 PolarHBondContact O-N 3.05Å; N32-L34 VanDerWaalsContact C-N 3.27Å; N32-L34 PolarHBondContact O-N 2.96Å; N32-K35 PolarHBondContact O-N 3.39Å; N32-K35 VanDerWaalsContact O-N 3.16Å; N32-D36 PolarHBondContact O-N 3.41Å |
| 33 | E | 61.9 | Low | 63.6 | Low | 109 Ų | 109 | 110.6 Ų | 110.6 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 174.1 | -78.2 | -178.9 | 164.6 | 0 | 0 | 112.3 | S29 L37 | S29-E33 PolarHBondContact O-N 3.36Å; E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 WeakPolarHBondContact O-CG 3.46Å; E33-L37 PolarHBondContact O-N 2.93Å |
| 34 | L | 67.4 | Low | 64.1 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.7 | -36.8 | 176.6 | -157.2 | 78.1 | 0 | 0 | 0 | 111.9 | H30 N32 V38 | H30-L34 WeakPolarHBondContact O-CB 3.2Å; H30-L34 PolarHBondContact O-N 3.2Å; H30-L34 VanDerWaalsContact O-N 3.14Å; N32-L34 VanDerWaalsContact C-N 3.27Å; N32-L34 PolarHBondContact O-N 2.96Å; L34-V38 VanDerWaalsContact O-CG2 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.35Å; L34-V38 PolarHBondContact O-N 3.25Å; L34-V38 VanDerWaalsContact O-N 3.14Å |
| 35 | K | 68.7 | Low | 64.9 | Low | 109 Ų | 109 | 111.4 Ų | 111.4 | 47% | 0.474 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 173.8 | -77.7 | 172.4 | -173.6 | 156.7 | 0 | 111.5 | E31 N32 L37 V38 E39 | E31-K35 WeakPolarHBondContact O-CG 3.28Å; E31-K35 PolarHBondContact O-N 2.94Å; E31-K35 VanDerWaalsContact O-N 3.09Å; E31-K35 IonicContact OE1-NZ 3.7Å; E31-K35 PolarHBondContact OE1-NZ 2.93Å; N32-K35 PolarHBondContact O-N 3.39Å; N32-K35 VanDerWaalsContact O-N 3.16Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 3.22Å; K35-V38 PolarHBondContact O-N 3.27Å; K35-E39 PolarHBondContact O-N 2.63Å |
| 36 | D | 71.9 | Confident | 65.8 | Low | 100 Ų | 100 | 113.5 Ų | 113.5 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 177 | -71.1 | -13.3 | 0 | 0 | 0 | 111.4 | N32 E39 W40 | N32-D36 PolarHBondContact O-N 3.41Å; D36-E39 PolarHBondContact O-N 2.98Å; D36-W40 VanDerWaalsContact O-CB 3.26Å; D36-W40 WeakPolarHBondContact O-CB 3.49Å; D36-W40 PolarHBondContact O-N 3.04Å |
| 37 | L | 68.4 | Low | 66.8 | Low | 119 Ų | 119 | 109.3 Ų | 109.3 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 174.5 | -85.5 | 162.5 | 0 | 0 | 0 | 112.6 | E33 K35 W40 E41 | E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 WeakPolarHBondContact O-CG 3.46Å; E33-L37 PolarHBondContact O-N 2.93Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 3.22Å; L37-W40 PolarHBondContact O-N 2.75Å; L37-E41 PolarHBondContact O-N 3.47Å |
| 38 | V | 72.8 | Confident | 67.5 | Low | 73 Ų | 73 | 113.9 Ų | 113.9 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 178.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L34 K35 W40 E41 Q42 | L34-V38 VanDerWaalsContact O-CG2 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.35Å; L34-V38 PolarHBondContact O-N 3.25Å; L34-V38 VanDerWaalsContact O-N 3.14Å; K35-V38 PolarHBondContact O-N 3.27Å; V38-W40 VanDerWaalsContact C-N 3.34Å; V38-E41 PolarHBondContact O-N 3.26Å; V38-Q42 WeakPolarHBondContact O-CG 3.26Å; V38-Q42 PolarHBondContact O-N 3.45Å; V38-Q42 VanDerWaalsContact O-N 3.1Å |
| 39 | E | 71.7 | Confident | 68.2 | Low | 132 Ų | 132 | 109.7 Ų | 109.7 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 174.1 | -76.7 | -168.6 | 171.4 | 0 | 0 | 111.9 | K35 D36 Q42 Y43 | K35-E39 PolarHBondContact O-N 2.63Å; D36-E39 PolarHBondContact O-N 2.98Å; E39-Q42 PolarHBondContact O-N 3.01Å; E39-Y43 WeakPolarHBondContact O-CB 3.3Å; E39-Y43 PolarHBondContact O-N 3.34Å |
| 40 | W | 69.1 | Low | 69.1 | Low | 161 Ų | 161 | 113 Ų | 113 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 177.6 | -155.5 | 108.3 | 0 | 0 | 0 | 111.7 | D36 L37 V38 Q42 Y43 M44 | D36-W40 VanDerWaalsContact O-CB 3.26Å; D36-W40 WeakPolarHBondContact O-CB 3.49Å; D36-W40 PolarHBondContact O-N 3.04Å; L37-W40 PolarHBondContact O-N 2.75Å; V38-W40 VanDerWaalsContact C-N 3.34Å; W40-Q42 VanDerWaalsContact C-N 3.35Å; W40-Q42 PolarHBondContact O-N 2.77Å; W40-Y43 PolarHBondContact O-N 3.15Å; W40-M44 HydrophobicContact CE3-CB 4.05Å; W40-M44 HydrophobicContact CE3-CG 3.89Å; W40-M44 HydrophobicContact CH2-CB 4.41Å; W40-M44 HydrophobicContact CH2-CE 3.82Å; W40-M44 HydrophobicContact CH2-CG 3.44Å; W40-M44 VanDerWaalsContact CH2-CG 3.44Å; W40-M44 HydrophobicContact CH2-SD 4.02Å; W40-M44 HydrophobicContact CZ2-CG 4.24Å; W40-M44 HydrophobicContact CZ3-CB 3.75Å; W40-M44 HydrophobicContact CZ3-CE 3.73Å; W40-M44 HydrophobicContact CZ3-CG 3.26Å; W40-M44 HydrophobicContact CZ3-SD 4.17Å; W40-M44 PolarHBondContact O-N 3.32Å |
| 41 | E | 69.3 | Low | 69.7 | Low | 107 Ų | 107 | 110.7 Ų | 110.7 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 177.6 | -150.8 | -161.8 | 145.7 | 0 | 0 | 112 | L37 V38 M44 K45 | L37-E41 PolarHBondContact O-N 3.47Å; V38-E41 PolarHBondContact O-N 3.26Å; E41-M44 PolarHBondContact O-N 3.45Å; E41-K45 PolarHBondContact O-N 3.01Å; E41-K45 IonicContact OE1-NZ 3.12Å; E41-K45 PolarHBondContact OE1-NZ 3.43Å |
| 42 | Q | 72.6 | Confident | 69.8 | Low | 127 Ų | 127 | 110.9 Ų | 110.9 | 59% | 0.593 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.7 | -41.3 | 174.2 | -71.9 | -178 | 7.2 | 0 | 0 | 112 | V38 E39 W40 M44 K45 K46 | V38-Q42 WeakPolarHBondContact O-CG 3.26Å; V38-Q42 PolarHBondContact O-N 3.45Å; V38-Q42 VanDerWaalsContact O-N 3.1Å; E39-Q42 PolarHBondContact O-N 3.01Å; W40-Q42 VanDerWaalsContact C-N 3.35Å; W40-Q42 PolarHBondContact O-N 2.77Å; Q42-M44 VanDerWaalsContact C-N 3.33Å; Q42-M44 PolarHBondContact O-N 3.11Å; Q42-K45 PolarHBondContact O-N 3.27Å; Q42-K46 WeakPolarHBondContact O-CB 3.45Å; Q42-K46 PolarHBondContact O-N 3.32Å |
| 43 | Y | 73.7 | Confident | 70.3 | Confident | 155 Ų | 155 | 112.7 Ų | 112.7 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 175 | -178.7 | -102.2 | 0 | 0 | 0 | 111 | E39 W40 K46 V47 | E39-Y43 WeakPolarHBondContact O-CB 3.3Å; E39-Y43 PolarHBondContact O-N 3.34Å; W40-Y43 PolarHBondContact O-N 3.15Å; Y43-K46 WeakPolarHBondContact O-CB 3.28Å; Y43-K46 PolarHBondContact O-N 3.28Å; Y43-K46 VanDerWaalsContact O-N 3.15Å; Y43-V47 HydrophobicContact CD1-CG2 4.02Å; Y43-V47 HydrophobicContact CE1-CG2 3.62Å; Y43-V47 HydrophobicContact CE2-CG2 4.17Å; Y43-V47 HydrophobicContact CG-CG2 4.46Å; Y43-V47 WeakPolarHBondContact O-CG2 3.41Å; Y43-V47 PolarHBondContact O-N 3.3Å |
| 44 | M | 63.8 | Low | 70.7 | Confident | 93 Ų | 93 | 113.9 Ų | 113.9 | 46% | 0.458 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.6 | -32.2 | 179.2 | -102.3 | -101.2 | -69.1 | 0 | 0 | 114.8 | W40 E41 Q42 K46 K48 | W40-M44 HydrophobicContact CE3-CB 4.05Å; W40-M44 HydrophobicContact CE3-CG 3.89Å; W40-M44 HydrophobicContact CH2-CB 4.41Å; W40-M44 HydrophobicContact CH2-CE 3.82Å; W40-M44 HydrophobicContact CH2-CG 3.44Å; W40-M44 VanDerWaalsContact CH2-CG 3.44Å; W40-M44 HydrophobicContact CH2-SD 4.02Å; W40-M44 HydrophobicContact CZ2-CG 4.24Å; W40-M44 HydrophobicContact CZ3-CB 3.75Å; W40-M44 HydrophobicContact CZ3-CE 3.73Å; W40-M44 HydrophobicContact CZ3-CG 3.26Å; W40-M44 HydrophobicContact CZ3-SD 4.17Å; W40-M44 PolarHBondContact O-N 3.32Å; E41-M44 PolarHBondContact O-N 3.45Å; Q42-M44 VanDerWaalsContact C-N 3.33Å; Q42-M44 PolarHBondContact O-N 3.11Å; M44-K46 VanDerWaalsContact C-N 3.29Å; M44-K46 PolarHBondContact O-N 3.19Å; M44-K48 WeakPolarHBondContact O-CB 3.16Å; M44-K48 PolarHBondContact O-N 3.29Å |
| 45 | K | 70.6 | Confident | 70.8 | Confident | 134 Ų | 134 | 112.2 Ų | 112.2 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | 167.5 | -79.4 | 173.3 | -175.6 | 149.3 | 0 | 111.4 | E41 Q42 G49 | E41-K45 PolarHBondContact O-N 3.01Å; E41-K45 IonicContact OE1-NZ 3.12Å; E41-K45 PolarHBondContact OE1-NZ 3.43Å; Q42-K45 PolarHBondContact O-N 3.27Å; K45-G49 PolarHBondContact O-N 2.92Å |
| 46 | K | 76.2 | Confident | 70.7 | Confident | 143 Ų | 143 | 113.1 Ų | 113.1 | 62% | 0.622 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70 | -40.9 | 178.8 | -159.9 | 172.8 | -174.1 | 174.5 | 0 | 112.6 | Q42 Y43 M44 G49 K50 | Q42-K46 WeakPolarHBondContact O-CB 3.45Å; Q42-K46 PolarHBondContact O-N 3.32Å; Y43-K46 WeakPolarHBondContact O-CB 3.28Å; Y43-K46 PolarHBondContact O-N 3.28Å; Y43-K46 VanDerWaalsContact O-N 3.15Å; M44-K46 VanDerWaalsContact C-N 3.29Å; M44-K46 PolarHBondContact O-N 3.19Å; K46-G49 PolarHBondContact O-N 3.34Å; K46-K50 WeakPolarHBondContact O-CG 3.44Å; K46-K50 PolarHBondContact O-N 2.9Å |
| 47 | V | 74.3 | Confident | 70.5 | Confident | 51 Ų | 51 | 112.7 Ų | 112.7 | 31% | 0.309 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | Y43 G49 K50 V51 | Y43-V47 HydrophobicContact CD1-CG2 4.02Å; Y43-V47 HydrophobicContact CE1-CG2 3.62Å; Y43-V47 HydrophobicContact CE2-CG2 4.17Å; Y43-V47 HydrophobicContact CG-CG2 4.46Å; Y43-V47 WeakPolarHBondContact O-CG2 3.41Å; Y43-V47 PolarHBondContact O-N 3.3Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 2.98Å; V47-K50 PolarHBondContact O-N 3.41Å; V47-V51 HydrophobicContact CG1-CG2 4.1Å; V47-V51 WeakPolarHBondContact O-CB 3.18Å; V47-V51 VanDerWaalsContact O-CG2 3.3Å; V47-V51 WeakPolarHBondContact O-CG2 3.23Å; V47-V51 PolarHBondContact O-N 3.3Å |
| 48 | K | 69.9 | Low | 70.1 | Confident | 156 Ų | 156 | 112.7 Ų | 112.7 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.3 | -42.8 | 175.6 | -174.3 | 179 | 179.4 | -179.5 | 0 | 111.7 | M44 L52 | M44-K48 WeakPolarHBondContact O-CB 3.16Å; M44-K48 PolarHBondContact O-N 3.29Å; K48-L52 VanDerWaalsContact O-CB 3.27Å; K48-L52 WeakPolarHBondContact O-CB 3.37Å; K48-L52 PolarHBondContact O-N 3.34Å |
| 49 | G | 71.8 | Confident | 69.3 | Low | 36 Ų | 36 | 114.4 Ų | 114.4 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.9 | -50.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K45 K46 V47 V51 L52 E53 | K45-G49 PolarHBondContact O-N 2.92Å; K46-G49 PolarHBondContact O-N 3.34Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 2.98Å; G49-V51 PolarHBondContact O-N 2.89Å; G49-L52 PolarHBondContact O-N 3.28Å; G49-E53 WeakPolarHBondContact O-CB 3.4Å; G49-E53 PolarHBondContact O-N 2.99Å |
| 50 | K | 73.2 | Confident | 68.5 | Low | 132 Ų | 132 | 115 Ų | 115 | 57% | 0.574 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 178.4 | -75.1 | -176.1 | 176 | -172.5 | 0 | 113.2 | K46 V47 E53 Q54 | K46-K50 WeakPolarHBondContact O-CG 3.44Å; K46-K50 PolarHBondContact O-N 2.9Å; V47-K50 PolarHBondContact O-N 3.41Å; K50-E53 PolarHBondContact O-N 3.42Å; K50-Q54 WeakPolarHBondContact O-CB 3.31Å; K50-Q54 PolarHBondContact O-N 2.87Å |
| 51 | V | 69 | Low | 68.1 | Low | 77 Ų | 77 | 112.8 Ų | 112.8 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | V47 G49 Q54 V55 | V47-V51 HydrophobicContact CG1-CG2 4.1Å; V47-V51 WeakPolarHBondContact O-CB 3.18Å; V47-V51 VanDerWaalsContact O-CG2 3.3Å; V47-V51 WeakPolarHBondContact O-CG2 3.23Å; V47-V51 PolarHBondContact O-N 3.3Å; G49-V51 PolarHBondContact O-N 2.89Å; V51-Q54 PolarHBondContact O-N 3.36Å; V51-V55 HydrophobicContact CG1-CG2 4.17Å; V51-V55 VanDerWaalsContact O-CB 3.26Å; V51-V55 WeakPolarHBondContact O-CB 3.37Å; V51-V55 WeakPolarHBondContact O-CG2 3.24Å; V51-V55 PolarHBondContact O-N 3.1Å |
| 52 | L | 66.4 | Low | 67.7 | Low | 112 Ų | 112 | 111.5 Ų | 111.5 | 59% | 0.586 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 178.3 | -160.7 | 79 | 0 | 0 | 0 | 111.2 | K48 G49 V55 Q56 | K48-L52 VanDerWaalsContact O-CB 3.27Å; K48-L52 WeakPolarHBondContact O-CB 3.37Å; K48-L52 PolarHBondContact O-N 3.34Å; G49-L52 PolarHBondContact O-N 3.28Å; L52-V55 PolarHBondContact O-N 3.42Å; L52-Q56 WeakPolarHBondContact O-CB 3.25Å; L52-Q56 PolarHBondContact O-N 3.28Å |
| 53 | E | 73.8 | Confident | 66.6 | Low | 129 Ų | 129 | 109 Ų | 109 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.8 | -45.1 | 178.5 | -157.1 | 168.4 | -150.5 | 0 | 0 | 111.2 | G49 K50 V55 Q56 D57 | G49-E53 WeakPolarHBondContact O-CB 3.4Å; G49-E53 PolarHBondContact O-N 2.99Å; K50-E53 PolarHBondContact O-N 3.42Å; E53-V55 PolarHBondContact O-N 3.48Å; E53-Q56 PolarHBondContact O-N 3.43Å; E53-D57 PolarHBondContact O-N 3.49Å |
| 54 | Q | 69.9 | Low | 65.8 | Low | 134 Ų | 134 | 104.1 Ų | 104.1 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -38.3 | 177.4 | -168.1 | 173.7 | -5.2 | 0 | 0 | 112.6 | K50 V51 H58 | K50-Q54 WeakPolarHBondContact O-CB 3.31Å; K50-Q54 PolarHBondContact O-N 2.87Å; V51-Q54 PolarHBondContact O-N 3.36Å; Q54-H58 WeakPolarHBondContact O-CB 3.4Å; Q54-H58 PolarHBondContact O-N 3.12Å |
| 55 | V | 68.7 | Low | 65.1 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 174 | 167.3 | 0 | 0 | 0 | 0 | 110.7 | V51 L52 E53 L59 | V51-V55 HydrophobicContact CG1-CG2 4.17Å; V51-V55 VanDerWaalsContact O-CB 3.26Å; V51-V55 WeakPolarHBondContact O-CB 3.37Å; V51-V55 WeakPolarHBondContact O-CG2 3.24Å; V51-V55 PolarHBondContact O-N 3.1Å; L52-V55 PolarHBondContact O-N 3.42Å; E53-V55 PolarHBondContact O-N 3.48Å; V55-L59 HydrophobicContact CG1-CD1 3.86Å; V55-L59 VanDerWaalsContact O-CB 3.32Å; V55-L59 WeakPolarHBondContact O-CB 3.38Å; V55-L59 PolarHBondContact O-N 3.08Å |
| 56 | Q | 68.3 | Low | 63.7 | Low | 129 Ų | 129 | 100.8 Ų | 100.8 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.8 | -39.1 | -179.4 | -164.4 | 167.1 | -5.4 | 0 | 0 | 111.8 | L52 E53 R60 | L52-Q56 WeakPolarHBondContact O-CB 3.25Å; L52-Q56 PolarHBondContact O-N 3.28Å; E53-Q56 PolarHBondContact O-N 3.43Å; Q56-R60 WeakPolarHBondContact O-CB 3.4Å; Q56-R60 PolarHBondContact O-N 3.18Å |
| 57 | D | 66.4 | Low | 62 | Low | 90 Ų | 90 | 98 Ų | 98 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70 | -42.6 | 174.1 | -77.9 | -16.9 | 0 | 0 | 0 | 112.1 | E53 L59 R60 D61 | E53-D57 PolarHBondContact O-N 3.49Å; D57-L59 VanDerWaalsContact C-N 3.35Å; D57-L59 PolarHBondContact O-N 3.18Å; D57-R60 WeakPolarHBondContact O-CB 3.46Å; D57-R60 PolarHBondContact O-N 3.33Å; D57-D61 PolarHBondContact O-N 2.69Å |
| 58 | H | 61.2 | Low | 60.5 | Low | 120 Ų | 120 | 97.8 Ų | 97.8 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 174.6 | -115.5 | 67.8 | 0 | 0 | 0 | 112.3 | Q54 R60 I62 | Q54-H58 WeakPolarHBondContact O-CB 3.4Å; Q54-H58 PolarHBondContact O-N 3.12Å; H58-R60 VanDerWaalsContact C-N 3.31Å; H58-R60 PolarHBondContact O-N 2.98Å; H58-I62 WeakPolarHBondContact O-CB 3.31Å; H58-I62 WeakPolarHBondContact O-CD1 3.35Å; H58-I62 WeakPolarHBondContact O-CG1 3.43Å; H58-I62 PolarHBondContact O-N 3.09Å |
| 59 | L | 56.2 | Low | 59.1 | Low | 109 Ų | 109 | 96.5 Ų | 96.5 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | 174.7 | -104 | 146 | 0 | 0 | 0 | 111.7 | V55 D57 L63 | V55-L59 HydrophobicContact CG1-CD1 3.86Å; V55-L59 VanDerWaalsContact O-CB 3.32Å; V55-L59 WeakPolarHBondContact O-CB 3.38Å; V55-L59 PolarHBondContact O-N 3.08Å; D57-L59 VanDerWaalsContact C-N 3.35Å; D57-L59 PolarHBondContact O-N 3.18Å; L59-L63 WeakPolarHBondContact O-CB 3.3Å; L59-L63 PolarHBondContact O-N 2.95Å |
| 60 | R | 53.9 | Low | 57.6 | Low | 144 Ų | 144 | 98 Ų | 98 | 54% | 0.543 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 179.4 | -167.8 | 175.6 | 175.5 | -176.7 | -2.8 | 111.7 | Q56 D57 H58 L63 D64 | Q56-R60 WeakPolarHBondContact O-CB 3.4Å; Q56-R60 PolarHBondContact O-N 3.18Å; D57-R60 WeakPolarHBondContact O-CB 3.46Å; D57-R60 PolarHBondContact O-N 3.33Å; H58-R60 VanDerWaalsContact C-N 3.31Å; H58-R60 PolarHBondContact O-N 2.98Å; R60-L63 PolarHBondContact O-N 3.21Å; R60-D64 WeakPolarHBondContact O-CB 3.46Å; R60-D64 PolarHBondContact O-N 2.85Å |
| 61 | D | 61.3 | Low | 56 | Low | 115 Ų | 115 | 97 Ų | 97 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.8 | -42.2 | 175.3 | -88.6 | -2.8 | 0 | 0 | 0 | 112.2 | D57 L63 D64 K65 | D57-D61 PolarHBondContact O-N 2.69Å; D61-L63 VanDerWaalsContact C-N 3.25Å; D61-L63 PolarHBondContact O-N 3.36Å; D61-D64 PolarHBondContact O-N 2.92Å; D61-K65 WeakPolarHBondContact O-CB 3.46Å; D61-K65 PolarHBondContact O-N 2.92Å |
| 62 | I | 60.8 | Low | 54.2 | Low | 80 Ų | 80 | 98.9 Ų | 98.9 | 41% | 0.41 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 175.9 | -76.2 | 170.5 | 0 | 0 | 0 | 111.1 | H58 A66 | H58-I62 WeakPolarHBondContact O-CB 3.31Å; H58-I62 WeakPolarHBondContact O-CD1 3.35Å; H58-I62 WeakPolarHBondContact O-CG1 3.43Å; H58-I62 PolarHBondContact O-N 3.09Å; I62-A66 VanDerWaalsContact O-CB 3.31Å; I62-A66 WeakPolarHBondContact O-CB 3.31Å; I62-A66 PolarHBondContact O-N 2.94Å |
| 63 | L | 49.5 | Very low | 52.6 | Low | 74 Ų | 74 | 97.2 Ų | 97.2 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.7 | -44.5 | 179.3 | -174.3 | 66.9 | 0 | 0 | 0 | 111.9 | L59 R60 D61 K65 A66 L67 | L59-L63 WeakPolarHBondContact O-CB 3.3Å; L59-L63 PolarHBondContact O-N 2.95Å; R60-L63 PolarHBondContact O-N 3.21Å; D61-L63 VanDerWaalsContact C-N 3.25Å; D61-L63 PolarHBondContact O-N 3.36Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.18Å; L63-A66 PolarHBondContact O-N 2.88Å; L63-L67 WeakPolarHBondContact O-CB 3.15Å; L63-L67 PolarHBondContact O-N 2.83Å |
| 64 | D | 55.6 | Low | 50.8 | Low | 53 Ų | 53 | 96.2 Ų | 96.2 | 28% | 0.283 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 175.7 | -82.9 | -22.2 | 0 | 0 | 0 | 111.1 | R60 D61 L67 T68 R426 | R60-D64 WeakPolarHBondContact O-CB 3.46Å; R60-D64 PolarHBondContact O-N 2.85Å; D61-D64 PolarHBondContact O-N 2.92Å; D64-L67 PolarHBondContact O-N 3.23Å; D64-T68 WeakPolarHBondContact O-CB 3.45Å; D64-T68 WeakPolarHBondContact O-CG2 3.38Å; D64-T68 PolarHBondContact O-N 2.83Å; D64-T68 PolarHBondContact O-OG1 2.69Å; D64-R426 IonicContact OD1-CZ 3.22Å; D64-R426 IonicContact OD1-NH1 2.78Å; D64-R426 PolarHBondContact OD1-NH1 3.23Å; D64-R426 IonicContact OD1-NH2 2.9Å; D64-R426 PolarHBondContact OD1-NH2 3.32Å; D64-R426 IonicContact OD2-NH1 3.29Å; D64-R426 IonicContact OD2-NH2 2.68Å |
| 65 | K | 50.9 | Low | 49.4 | Very low | 134 Ų | 134 | 93.8 Ų | 93.8 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.5 | -40.5 | 173.4 | -153.2 | 170.3 | -173.4 | 177.6 | 0 | 112.5 | D61 L63 L67 T68 E69 | D61-K65 WeakPolarHBondContact O-CB 3.46Å; D61-K65 PolarHBondContact O-N 2.92Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.18Å; K65-L67 VanDerWaalsContact C-N 3.33Å; K65-L67 PolarHBondContact O-N 2.88Å; K65-T68 VanDerWaalsContact CA-OG1 3.3Å; K65-T68 WeakPolarHBondContact CA-OG1 3.28Å; K65-T68 PolarHBondContact O-N 3.45Å; K65-T68 PolarHBondContact O-OG1 2.94Å; K65-E69 PolarHBondContact O-N 2.75Å; K65-E69 VanDerWaalsContact O-N 3.13Å |
| 66 | A | 41.4 | Very low | 48.1 | Very low | 22 Ų | 22 | 98.8 Ų | 98.8 | 18% | 0.182 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -66.8 | -33.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I62 L63 S70 | I62-A66 VanDerWaalsContact O-CB 3.31Å; I62-A66 WeakPolarHBondContact O-CB 3.31Å; I62-A66 PolarHBondContact O-N 2.94Å; L63-A66 PolarHBondContact O-N 2.88Å; A66-S70 WeakPolarHBondContact O-CB 3.27Å; A66-S70 PolarHBondContact O-N 3.08Å; A66-S70 VanDerWaalsContact O-N 3.16Å; A66-S70 PolarHBondContact O-OG 3.36Å |
| 67 | L | 39.6 | Very low | 46.5 | Very low | 84 Ų | 84 | 98.6 Ų | 98.6 | 44% | 0.44 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.2 | -34.6 | 176.2 | -140.7 | 94 | 0 | 0 | 0 | 111.9 | L63 D64 K65 S70 I71 | L63-L67 WeakPolarHBondContact O-CB 3.15Å; L63-L67 PolarHBondContact O-N 2.83Å; D64-L67 PolarHBondContact O-N 3.23Å; K65-L67 VanDerWaalsContact C-N 3.33Å; K65-L67 PolarHBondContact O-N 2.88Å; L67-S70 WeakPolarHBondContact CA-OG 3.15Å; L67-S70 PolarHBondContact O-OG 3.34Å; L67-S70 VanDerWaalsContact O-OG 3.08Å; L67-I71 WeakPolarHBondContact O-CD1 3.4Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å |
| 68 | T | 42.3 | Very low | 45 | Very low | 48 Ų | 48 | 99.4 Ų | 99.4 | 29% | 0.294 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.9 | -31.4 | 178.9 | 39.5 | 0 | 0 | 0 | 0 | 112.8 | D64 K65 R92 | D64-T68 WeakPolarHBondContact O-CB 3.45Å; D64-T68 WeakPolarHBondContact O-CG2 3.38Å; D64-T68 PolarHBondContact O-N 2.83Å; D64-T68 PolarHBondContact O-OG1 2.69Å; K65-T68 VanDerWaalsContact CA-OG1 3.3Å; K65-T68 WeakPolarHBondContact CA-OG1 3.28Å; K65-T68 PolarHBondContact O-N 3.45Å; K65-T68 PolarHBondContact O-OG1 2.94Å; T68-R92 VanDerWaalsContact CB-NH2 3.29Å |
| 69 | E | 41.7 | Very low | 43.6 | Very low | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -77.5 | -27.5 | 173.4 | -73.9 | 174.3 | 177.3 | 0 | 0 | 113.4 | K65 I71 | K65-E69 PolarHBondContact O-N 2.75Å; K65-E69 VanDerWaalsContact O-N 3.13Å; E69-I71 VanDerWaalsContact C-N 3.3Å; E69-I71 PolarHBondContact O-N 3.11Å |
| 70 | S | 40.3 | Very low | 42.5 | Very low | 68 Ų | 68 | 98.2 Ų | 98.2 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.4 | 179.5 | 51.3 | 0 | 0 | 0 | 0 | 115 | A66 L67 | A66-S70 WeakPolarHBondContact O-CB 3.27Å; A66-S70 PolarHBondContact O-N 3.08Å; A66-S70 VanDerWaalsContact O-N 3.16Å; A66-S70 PolarHBondContact O-OG 3.36Å; L67-S70 WeakPolarHBondContact CA-OG 3.15Å; L67-S70 PolarHBondContact O-OG 3.34Å; L67-S70 VanDerWaalsContact O-OG 3.08Å |
| 71 | I | 38.4 | Very low | 41.6 | Very low | 111 Ų | 111 | 98.2 Ų | 98.2 | 57% | 0.569 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -11.8 | 178.2 | -63.6 | 168.2 | 0 | 0 | 0 | 111.7 | L67 E69 | L67-I71 WeakPolarHBondContact O-CD1 3.4Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; E69-I71 VanDerWaalsContact C-N 3.3Å; E69-I71 PolarHBondContact O-N 3.11Å |
| 72 | E | 31.4 | Very low | 40.2 | Very low | 116 Ų | 116 | 100.5 Ų | 100.5 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -85.8 | 130.6 | 173.8 | -69.7 | -160.6 | 174.4 | 0 | 0 | 111.6 | K78 | E72-K78 IonicContact OE2-NZ 2.69Å; E72-K78 PolarHBondContact OE2-NZ 3.16Å |
| 73 | P | 32.9 | Very low | 38.6 | Very low | 76 Ų | 76 | 99.8 Ų | 99.8 | 49% | 0.494 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 154.7 | 174.2 | 27.4 | -31.7 | 0 | 0 | 0 | 111.5 | ||
| 74 | P | 36.9 | Very low | 37.7 | Very low | 109 Ų | 109 | 106.3 Ų | 106.3 | 71% | 0.708 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 147.5 | -178.1 | 14.9 | -22.1 | 0 | 0 | 0 | 112.5 | H76 L77 | P74-H76 PolarHBondContact O-N 3.21Å; P74-L77 PolarHBondContact O-N 2.98Å |
| 75 | A | 40.2 | Very low | 36.7 | Very low | 83 Ų | 83 | 110.9 Ų | 110.9 | 69% | 0.686 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -54 | -17.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L77 K78 | A75-L77 PolarHBondContact O-N 2.88Å; A75-K78 PolarHBondContact O-N 3.08Å |
| 76 | H | 40.5 | Very low | 35.6 | Very low | 180 Ų | 180 | 109.8 Ų | 109.8 | 83% | 0.833 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -72.2 | -11.7 | -179.3 | -143.7 | -69.1 | 0 | 0 | 0 | 114.4 | P74 | P74-H76 PolarHBondContact O-N 3.21Š|
| 77 | L | 35.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 118.6 Ų | 118.6 | 66% | 0.66 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -98.5 | -7 | 176.1 | -134 | 80.9 | 0 | 0 | 0 | 113.8 | P74 A75 | P74-L77 PolarHBondContact O-N 2.98Å; A75-L77 PolarHBondContact O-N 2.88Å |
| 78 | K | 34.5 | Very low | 34.8 | Very low | 106 Ų | 106 | 123 Ų | 123 | 46% | 0.461 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -80.4 | -18.4 | -175.2 | -77.1 | -176.8 | 179.7 | 177.5 | 0 | 113.7 | E72 A75 | E72-K78 IonicContact OE2-NZ 2.69Å; E72-K78 PolarHBondContact OE2-NZ 3.16Å; A75-K78 PolarHBondContact O-N 3.08Å |
| 79 | S | 31.5 | Very low | 34.2 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -81 | -12.9 | -175.9 | 77.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 80 | A | 34.3 | Very low | 33.7 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -95.7 | -1.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 81 | L | 33.2 | Very low | 33.2 | Very low | 145 Ų | 145 | 128 Ų | 128 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -132.7 | 17.2 | -167.9 | -97.4 | 156.6 | 0 | 0 | 0 | 115.4 | G83 | L81-G83 PolarHBondContact O-N 3.5Š| ||
| 82 | N | 32.4 | Very low | 32.9 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | trans | -93.1 | 83.3 | 173.5 | -89 | -7.1 | 0 | 0 | 0 | 111.5 | ||||
| 83 | G | 28.3 | Very low | 32.8 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | -142.5 | 107.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L81 | L81-G83 PolarHBondContact O-N 3.5Š| ||
| 84 | K | 29.7 | Very low | 32.5 | Very low | 211 Ų | 211 | 131.9 Ų | 131.9 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | trans | 86.9 | 107.9 | 170 | -62.1 | -179.9 | 176.8 | 177 | 0 | 117.9 | ||||
| 85 | T | 34.7 | Very low | 32.4 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 91% | 0.908 | 73% | 0.731 | S | S | * | * | trans | -57.4 | 128.1 | 165.9 | 12.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 86 | S | 27.1 | Very low | 32.2 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | -158.8 | 147 | 148 | -169.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 87 | K | 33.3 | Very low | 32.4 | Very low | 207 Ų | 207 | 135.1 Ų | 135.1 | 90% | 0.9 | 72% | 0.718 | S | S | * | * | trans | -40.9 | 129.3 | -169 | -68.9 | 171.6 | 172.8 | 177.6 | 0 | 114.6 | ||||
| 88 | K | 30.9 | Very low | 33.5 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | trans | -132.7 | 68.9 | -175.6 | -148.6 | -179.8 | -163.6 | 178 | 0 | 111.9 | ||||
| 89 | E | 30.9 | Very low | 35.2 | Very low | 203 Ų | 203 | 130 Ų | 130 | 95% | 0.949 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -116 | 2.4 | 173.4 | -102 | 180 | 169.1 | 0 | 0 | 115.5 | ||
| 90 | S | 30.6 | Very low | 37.8 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -109 | -10.3 | 176.5 | 68.8 | 0 | 0 | 0 | 0 | 116.3 | R92 | S90-R92 PolarHBondContact O-N 2.7Š|
| 91 | S | 30.3 | Very low | 40.3 | Very low | 54 Ų | 54 | 126.1 Ų | 126.1 | 38% | 0.378 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -80 | -14.8 | -168.8 | 69.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 92 | R | 30.9 | Very low | 43.1 | Very low | 167 Ų | 167 | 120.3 Ų | 120.3 | 63% | 0.63 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82.3 | -31.4 | -170.3 | -146.1 | -179.9 | -166 | 168.3 | 13 | 113.4 | T68 S90 | T68-R92 VanDerWaalsContact CB-NH2 3.29Å; S90-R92 PolarHBondContact O-N 2.7Å |
| 93 | S | 29.6 | Very low | 45.9 | Very low | 95 Ų | 95 | 117.3 Ų | 117.3 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.2 | -38 | 173.9 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | R95 M96 | S93-R95 PolarHBondContact O-N 3.19Å; S93-M96 PolarHBondContact O-N 3.08Å |
| 94 | Q | 28.2 | Very low | 48.9 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.6 | -37 | 179.5 | -90.7 | 174.2 | -35 | 0 | 0 | 113.6 | M96 D97 D98 | Q94-M96 VanDerWaalsContact C-N 3.26Å; Q94-M96 PolarHBondContact O-N 2.84Å; Q94-D97 PolarHBondContact O-N 2.69Å; Q94-D97 VanDerWaalsContact O-N 3.16Å; Q94-D98 PolarHBondContact O-N 3.04Å |
| 95 | R | 32.9 | Very low | 51.9 | Low | 199 Ų | 199 | 114.5 Ų | 114.5 | 75% | 0.751 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.1 | -19.8 | -177.7 | -112.4 | -178.3 | 176.8 | -173.3 | -1.6 | 115 | S93 | S93-R95 PolarHBondContact O-N 3.19Å |
| 96 | M | 36.7 | Very low | 54.5 | Low | 118 Ų | 118 | 109.8 Ų | 109.8 | 58% | 0.581 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -83.7 | -19.6 | 175.9 | -73.5 | -178.9 | 65.5 | 0 | 0 | 112.8 | S93 Q94 | S93-M96 PolarHBondContact O-N 3.08Å; Q94-M96 VanDerWaalsContact C-N 3.26Å; Q94-M96 PolarHBondContact O-N 2.84Å |
| 97 | D | 45.7 | Very low | 57.7 | Low | 123 Ų | 123 | 104.4 Ų | 104.4 | 66% | 0.658 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -87.2 | -26.5 | 176 | -93.8 | -10.6 | 0 | 0 | 0 | 112.5 | Q94 G99 | Q94-D97 PolarHBondContact O-N 2.69Å; Q94-D97 VanDerWaalsContact O-N 3.16Å; D97-G99 PolarHBondContact O-N 2.92Å |
| 98 | D | 57.1 | Low | 60.5 | Low | 109 Ų | 109 | 97 Ų | 97 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -78.7 | 119.1 | 178.3 | -70.8 | -27.1 | 0 | 0 | 0 | 111.4 | Q94 | Q94-D98 PolarHBondContact O-N 3.04Š|
| 99 | G | 71.7 | Confident | 63.4 | Low | 16 Ų | 16 | 89.5 Ų | 89.5 | 17% | 0.165 | 46% | 0.458 | C | S | . | . | trans | -65.5 | 180 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D97 V101 R289 | D97-G99 PolarHBondContact O-N 2.92Å; G99-V101 PolarHBondContact O-N 3.33Å; G99-R289 VanDerWaalsContact CA-NH2 3.32Å | ||
| 100 | K | 85.4 | Confident | 66.2 | Low | 20 Ų | 20 | 81.4 Ų | 81.4 | 9% | 0.087 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 130.2 | -178.8 | -173.2 | 175.6 | 179.5 | 172.6 | 0 | 111.7 | F102 I287 R289 D407 Y411 | K100-F102 HydrophobicContact CD-CE1 4.22Å; K100-F102 HydrophobicContact CD-CZ 4.07Å; K100-F102 HydrophobicContact CG-CZ 4.49Å; K100-I287 HydrophobicContact CB-CD1 4.07Å; K100-I287 HydrophobicContact CD-CD1 3.88Å; K100-R289 PolarHBondContact O-NE 2.97Å; K100-R289 PolarHBondContact O-NH2 3.32Å; K100-D407 VanDerWaalsContact CD-OD2 3.32Å; K100-D407 WeakPolarHBondContact CD-OD2 2.97Å; K100-D407 VanDerWaalsContact CE-OD2 3.22Å; K100-D407 WeakPolarHBondContact CE-OD2 3.34Å; K100-D407 IonicContact NZ-OD2 3.26Å; K100-D407 PolarHBondContact NZ-OD2 3.12Å; K100-Y411 WeakPolarHBondContact CA-OH 3.26Å; K100-Y411 HydrophobicContact CB-CE2 3.74Å; K100-Y411 PolarHBondContact N-OH 3.42Å |
| 101 | V | 88 | Confident | 69.1 | Low | 101 Ų | 101 | 80.7 Ų | 80.7 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -99.5 | 124.7 | 172 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | G99 L103 | G99-V101 PolarHBondContact O-N 3.33Å; V101-L103 HydrophobicContact CG1-CD2 4.2Å |
| 102 | F | 90.8 | Very high | 72 | Confident | 24 Ų | 24 | 79.9 Ų | 79.9 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 131.4 | 177.5 | -66.7 | -89.6 | 0 | 0 | 0 | 109.5 | K100 T285 I287 R289 Y292 P293 F379 D381 | K100-F102 HydrophobicContact CD-CE1 4.22Å; K100-F102 HydrophobicContact CD-CZ 4.07Å; K100-F102 HydrophobicContact CG-CZ 4.49Å; F102-T285 HydrophobicContact CE1-CG2 4.34Å; F102-T285 HydrophobicContact CZ-CG2 4.47Å; F102-I287 HydrophobicContact CE2-CG2 4.37Å; F102-I287 HydrophobicContact CZ-CB 4.15Å; F102-I287 HydrophobicContact CZ-CG2 4.32Å; F102-R289 HydrophobicContact CD2-CG 3.91Å; F102-R289 HydrophobicContact CE2-CG 3.49Å; F102-R289 VanDerWaalsContact CE2-CG 3.49Å; F102-Y292 HydrophobicContact CD1-CD1 4.23Å; F102-Y292 HydrophobicContact CD1-CE1 4.46Å; F102-Y292 HydrophobicContact CD2-CD1 4.07Å; F102-Y292 HydrophobicContact CD2-CE1 4.13Å; F102-Y292 HydrophobicContact CE1-CD1 4.36Å; F102-Y292 HydrophobicContact CE1-CE1 4.14Å; F102-Y292 HydrophobicContact CE2-CD1 4.21Å; F102-Y292 AromaticContact CE2-CE1 3.8Å; F102-Y292 HydrophobicContact CE2-CE1 3.8Å; F102-Y292 HydrophobicContact CG-CD1 4.09Å; F102-Y292 HydrophobicContact CG-CE1 4.46Å; F102-Y292 HydrophobicContact CZ-CD1 4.34Å; F102-Y292 AromaticContact CZ-CE1 3.79Å; F102-Y292 HydrophobicContact CZ-CE1 3.79Å; F102-P293 VanDerWaalsContact CB-CD 3.47Å; F102-P293 HydrophobicContact CB-CG 3.82Å; F102-F379 HydrophobicContact CD1-CE2 4.32Å; F102-F379 AromaticContact CD1-CZ 3.91Å; F102-F379 HydrophobicContact CD1-CZ 3.91Å; F102-F379 HydrophobicContact CE1-CZ 4.05Å; F102-D381 HydrophobicContact CB-CB 4.31Å; F102-D381 HydrophobicContact CD1-CB 3.96Å; F102-D381 WeakPolarHBondContact CD1-OD2 3.37Å |
| 103 | L | 90.8 | Very high | 74.8 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 52% | 0.518 | 38% | 0.379 | S | S | . | . | trans | -123.9 | 148.6 | -179.2 | -62.3 | 173.4 | 0 | 0 | 0 | 109.5 | V101 R105 D381 | V101-L103 HydrophobicContact CG1-CD2 4.2Å; L103-R105 PolarHBondContact O-N 3.27Å; L103-D381 VanDerWaalsContact O-CA 3.25Å; L103-D381 WeakPolarHBondContact O-CA 3.39Å; L103-D381 VanDerWaalsContact O-CB 3.24Å; L103-D381 WeakPolarHBondContact O-CB 3.32Å | ||
| 104 | E | 92.1 | Very high | 77.6 | Confident | 146 Ų | 146 | 76.5 Ų | 76.5 | 68% | 0.682 | 38% | 0.382 | S | S | * | . | trans | -69.8 | 114.3 | 170.4 | 177.5 | 168.6 | -167 | 0 | 0 | 109.2 | A380 | E104-A380 HydrophobicContact CB-CB 4.15Å; E104-A380 HydrophobicContact CG-CB 4.08Å | ||
| 105 | R | 92.1 | Very high | 80.6 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -158.8 | 145 | -179.7 | 59.5 | -169.6 | 171.5 | -172.9 | -3.9 | 111.3 | L103 A380 D381 R382 M383 | L103-R105 PolarHBondContact O-N 3.27Å; R105-A380 PolarHBondContact N-O 3.45Å; R105-A380 VanDerWaalsContact N-O 3.11Å; R105-D381 IonicContact CZ-OD1 3.52Å; R105-D381 IonicContact CZ-OD2 3.15Å; R105-D381 IonicContact NE-OD1 3.9Å; R105-D381 PolarHBondContact NE-OD1 3.44Å; R105-D381 IonicContact NE-OD2 2.87Å; R105-D381 IonicContact NH2-OD1 3.4Å; R105-D381 PolarHBondContact NH2-OD1 2.97Å; R105-D381 IonicContact NH2-OD2 2.7Å; R105-D381 PolarHBondContact NH2-OD2 2.95Å; R105-R382 VanDerWaalsContact O-CB 3.31Å; R105-R382 WeakPolarHBondContact O-CB 3.43Å; R105-R382 PolarHBondContact O-N 3.46Å; R105-M383 HydrophobicContact CG-CB 4.39Å; R105-M383 VanDerWaalsContact NH1-CE 3.27Å; R105-M383 PolarHBondContact NH1-SD 2.83Å |
| 106 | A | 90.8 | Very high | 83.3 | Confident | 48 Ų | 48 | 67.9 Ų | 67.9 | 40% | 0.397 | 36% | 0.358 | S | S | . | . | trans | -72.7 | 164.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D111 | A106-D111 WeakPolarHBondContact CB-OD1 3.34Š| ||
| 107 | S | 92.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -73 | 136.5 | 169.6 | -81.1 | 0 | 0 | 0 | 0 | 109.7 | L109 D110 D111 N371 R382 | S107-L109 PolarHBondContact O-N 3.44Å; S107-L109 VanDerWaalsContact O-N 3.09Å; S107-D110 WeakPolarHBondContact O-CB 3.2Å; S107-D110 PolarHBondContact O-N 3.36Å; S107-D111 PolarHBondContact O-N 3.38Å; S107-N371 PolarHBondContact OG-ND2 3.33Å; S107-N371 PolarHBondContact OG-OD1 3.17Å; S107-N371 VanDerWaalsContact OG-OD1 3.08Å; S107-R382 WeakPolarHBondContact CA-O 3.17Å; S107-R382 WeakPolarHBondContact OG-CB 3.49Å; S107-R382 PolarHBondContact OG-O 2.96Å | ||
| 108 | L | 92.6 | Very high | 88 | Confident | 51 Ų | 51 | 65.4 Ų | 65.4 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -50.4 | -41.1 | -178.5 | 178.3 | 65.3 | 0 | 0 | 0 | 113.3 | D111 L112 Y385 D387 W389 | L108-D111 PolarHBondContact O-N 3.09Å; L108-L112 HydrophobicContact CD1-CD1 3.53Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 WeakPolarHBondContact O-CD1 3.31Å; L108-L112 PolarHBondContact O-N 3.33Å; L108-Y385 HydrophobicContact CB-CE2 4.28Å; L108-D387 HydrophobicContact CD2-CB 3.96Å; L108-D387 VanDerWaalsContact CD2-N 3.34Å; L108-W389 HydrophobicContact CD2-CH2 3.79Å; L108-W389 HydrophobicContact CD2-CZ2 4.1Å; L108-W389 HydrophobicContact CG-CH2 4.4Å |
| 109 | L | 91 | Very high | 89.6 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.4 | -28.9 | -177.7 | -155 | 86.5 | 0 | 0 | 0 | 112.9 | S107 L112 F113 F363 H367 Y385 W389 | S107-L109 PolarHBondContact O-N 3.44Å; S107-L109 VanDerWaalsContact O-N 3.09Å; L109-L112 PolarHBondContact O-N 3.37Å; L109-F113 HydrophobicContact CB-CE2 4.47Å; L109-F113 HydrophobicContact CD2-CD2 4.4Å; L109-F113 HydrophobicContact CD2-CE1 4.35Å; L109-F113 HydrophobicContact CD2-CE2 3.41Å; L109-F113 VanDerWaalsContact CD2-CE2 3.41Å; L109-F113 HydrophobicContact CD2-CZ 3.37Å; L109-F113 HydrophobicContact CG-CD2 4.23Å; L109-F113 HydrophobicContact CG-CE1 4.26Å; L109-F113 HydrophobicContact CG-CE2 3.66Å; L109-F113 HydrophobicContact CG-CZ 3.67Å; L109-F113 WeakPolarHBondContact O-CD2 3.24Å; L109-F113 VanDerWaalsContact O-CG 3.26Å; L109-F113 WeakPolarHBondContact O-CG 3.46Å; L109-F113 PolarHBondContact O-N 3.1Å; L109-F363 HydrophobicContact CD2-CD2 3.51Å; L109-F363 HydrophobicContact CD2-CE2 3.55Å; L109-H367 HydrophobicContact CD2-CB 4.37Å; L109-Y385 HydrophobicContact CB-CE2 4.02Å; L109-Y385 WeakPolarHBondContact CB-OH 2.91Å; L109-W389 HydrophobicContact CD1-CH2 4.19Å; L109-W389 HydrophobicContact CD1-CZ3 4.43Å |
| 110 | D | 90.4 | Very high | 90.6 | Very high | 32 Ų | 32 | 68.8 Ų | 68.8 | 17% | 0.171 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64 | -45 | 173.2 | -84 | -22.5 | 0 | 0 | 0 | 109.6 | S107 L112 F113 Y302 H367 | S107-D110 WeakPolarHBondContact O-CB 3.2Å; S107-D110 PolarHBondContact O-N 3.36Å; D110-L112 PolarHBondContact O-N 3.5Å; D110-F113 PolarHBondContact O-N 3.06Å; D110-Y302 PolarHBondContact OD2-OH 3.24Å; D110-H367 IonicContact OD1-CE1 3.3Å; D110-H367 PolarHBondContact OD1-CE1 2.95Å; D110-H367 IonicContact OD1-NE2 3.93Å |
| 111 | D | 90.8 | Very high | 90.8 | Very high | 78 Ų | 78 | 71.7 Ų | 71.7 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.6 | -59 | -20.6 | 0 | 0 | 0 | 111.2 | A106 S107 L108 F113 E114 | A106-D111 WeakPolarHBondContact CB-OD1 3.34Å; S107-D111 PolarHBondContact O-N 3.38Å; L108-D111 PolarHBondContact O-N 3.09Å; D111-F113 VanDerWaalsContact C-N 3.34Å; D111-F113 PolarHBondContact O-N 2.9Å; D111-E114 WeakPolarHBondContact O-CB 3.37Å; D111-E114 PolarHBondContact O-N 2.68Å |
| 112 | L | 90.8 | Very high | 90.9 | Very high | 36 Ų | 36 | 69.7 Ų | 69.7 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.3 | -31.4 | 178.4 | -97.7 | 73.4 | 0 | 0 | 0 | 113.2 | L108 L109 D110 E114 I115 I118 W389 | L108-L112 HydrophobicContact CD1-CD1 3.53Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 WeakPolarHBondContact O-CD1 3.31Å; L108-L112 PolarHBondContact O-N 3.33Å; L109-L112 PolarHBondContact O-N 3.37Å; D110-L112 PolarHBondContact O-N 3.5Å; L112-E114 PolarHBondContact O-N 3.28Å; L112-I115 VanDerWaalsContact O-CB 3.29Å; L112-I115 WeakPolarHBondContact O-CB 3.44Å; L112-I115 PolarHBondContact O-N 2.96Å; L112-I115 VanDerWaalsContact O-N 3.08Å; L112-I118 HydrophobicContact CB-CG2 4.44Å; L112-I118 WeakPolarHBondContact O-CB 3.26Å; L112-W389 HydrophobicContact CD2-CH2 4.27Å; L112-W389 HydrophobicContact CD2-CZ2 3.65Å |
| 113 | F | 89.9 | Confident | 91 | Very high | 37 Ų | 37 | 73.3 Ų | 73.3 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.3 | -12.7 | 177.1 | -72.8 | -40.6 | 0 | 0 | 0 | 113.9 | L109 D110 D111 I118 Y122 F363 H367 | L109-F113 HydrophobicContact CB-CE2 4.47Å; L109-F113 HydrophobicContact CD2-CD2 4.4Å; L109-F113 HydrophobicContact CD2-CE1 4.35Å; L109-F113 HydrophobicContact CD2-CE2 3.41Å; L109-F113 VanDerWaalsContact CD2-CE2 3.41Å; L109-F113 HydrophobicContact CD2-CZ 3.37Å; L109-F113 HydrophobicContact CG-CD2 4.23Å; L109-F113 HydrophobicContact CG-CE1 4.26Å; L109-F113 HydrophobicContact CG-CE2 3.66Å; L109-F113 HydrophobicContact CG-CZ 3.67Å; L109-F113 WeakPolarHBondContact O-CD2 3.24Å; L109-F113 VanDerWaalsContact O-CG 3.26Å; L109-F113 WeakPolarHBondContact O-CG 3.46Å; L109-F113 PolarHBondContact O-N 3.1Å; D110-F113 PolarHBondContact O-N 3.06Å; D111-F113 VanDerWaalsContact C-N 3.34Å; D111-F113 PolarHBondContact O-N 2.9Å; F113-I118 HydrophobicContact CD1-CG2 3.82Å; F113-I118 HydrophobicContact CE1-CG2 3.96Å; F113-Y122 HydrophobicContact CE1-CD2 4.2Å; F113-Y122 HydrophobicContact CE1-CG 4.14Å; F113-Y122 HydrophobicContact CZ-CD2 4Å; F113-Y122 HydrophobicContact CZ-CG 4.36Å; F113-F363 AromaticContact CE2-CE2 3.73Å; F113-F363 HydrophobicContact CE2-CE2 3.73Å; F113-F363 HydrophobicContact CE2-CZ 4.35Å; F113-F363 HydrophobicContact CZ-CD2 4.49Å; F113-F363 AromaticContact CZ-CE2 3.68Å; F113-F363 HydrophobicContact CZ-CE2 3.68Å; F113-F363 HydrophobicContact CZ-CZ 4.37Å; F113-H367 AromaticContact CE2-NE2 3.97Å |
| 114 | E | 88.6 | Confident | 91.1 | Very high | 154 Ų | 154 | 74.2 Ų | 74.2 | 72% | 0.72 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.2 | -28.5 | 168.6 | -58.3 | -168.1 | 160.5 | 0 | 0 | 111.2 | D111 L112 S116 | D111-E114 WeakPolarHBondContact O-CB 3.37Å; D111-E114 PolarHBondContact O-N 2.68Å; L112-E114 PolarHBondContact O-N 3.28Å; E114-S116 PolarHBondContact O-N 3.09Å |
| 115 | I | 92.8 | Very high | 91 | Very high | 85 Ų | 85 | 71.3 Ų | 71.3 | 44% | 0.436 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -71.9 | 125.7 | 175.9 | -51.9 | 174.9 | 0 | 0 | 0 | 109.5 | L112 H117 I118 R119 | L112-I115 VanDerWaalsContact O-CB 3.29Å; L112-I115 WeakPolarHBondContact O-CB 3.44Å; L112-I115 PolarHBondContact O-N 2.96Å; L112-I115 VanDerWaalsContact O-N 3.08Å; I115-H117 VanDerWaalsContact C-N 3.28Å; I115-H117 HydrophobicContact CG2-CB 4.41Å; I115-H117 PolarHBondContact O-N 3.22Å; I115-I118 PolarHBondContact O-N 3.42Å; I115-R119 PolarHBondContact O-N 3.45Å; I115-R119 VanDerWaalsContact O-N 3.09Å |
| 116 | S | 88.4 | Confident | 90.9 | Very high | 58 Ų | 58 | 70.9 Ų | 70.9 | 41% | 0.406 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.4 | -41 | -176.8 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | E114 R119 T120 | E114-S116 PolarHBondContact O-N 3.09Å; S116-R119 PolarHBondContact O-N 3.08Å; S116-T120 PolarHBondContact O-N 3.31Å; S116-T120 PolarHBondContact O-OG1 3.42Å; S116-T120 VanDerWaalsContact O-OG1 3.08Å |
| 117 | H | 90.8 | Very high | 91 | Very high | 140 Ų | 140 | 70.7 Ų | 70.7 | 65% | 0.648 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | -178.9 | -57.7 | -64 | 0 | 0 | 0 | 113.3 | I115 T120 I121 | I115-H117 VanDerWaalsContact C-N 3.28Å; I115-H117 HydrophobicContact CG2-CB 4.41Å; I115-H117 PolarHBondContact O-N 3.22Å; H117-T120 WeakPolarHBondContact O-CB 3.33Å; H117-T120 PolarHBondContact O-N 3.16Å; H117-I121 PolarHBondContact O-N 3.25Å |
| 118 | I | 90.3 | Very high | 90.9 | Very high | 49 Ų | 49 | 73.3 Ų | 73.3 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.6 | -35 | -179.4 | -54 | -60.5 | 0 | 0 | 0 | 110.5 | L112 F113 I115 T120 I121 Y122 | L112-I118 HydrophobicContact CB-CG2 4.44Å; L112-I118 WeakPolarHBondContact O-CB 3.26Å; F113-I118 HydrophobicContact CD1-CG2 3.82Å; F113-I118 HydrophobicContact CE1-CG2 3.96Å; I115-I118 PolarHBondContact O-N 3.42Å; I118-T120 VanDerWaalsContact C-N 3.26Å; I118-T120 PolarHBondContact O-N 3.25Å; I118-I121 HydrophobicContact CD1-CD1 4.14Å; I118-I121 WeakPolarHBondContact O-CB 3.09Å; I118-I121 PolarHBondContact O-N 3.21Å; I118-I121 VanDerWaalsContact O-N 3.11Å; I118-Y122 PolarHBondContact O-N 3.41Å |
| 119 | R | 90.6 | Very high | 90.7 | Very high | 117 Ų | 117 | 72.3 Ų | 72.3 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -37.5 | 171.9 | -172.9 | 171.5 | 65.1 | -147.5 | 1.1 | 112.1 | I115 S116 Y122 H123 | I115-R119 PolarHBondContact O-N 3.45Å; I115-R119 VanDerWaalsContact O-N 3.09Å; S116-R119 PolarHBondContact O-N 3.08Å; R119-Y122 WeakPolarHBondContact O-CB 3.32Å; R119-Y122 PolarHBondContact O-N 2.95Å; R119-H123 WeakPolarHBondContact CG-NE2 3.26Å; R119-H123 PolarHBondContact O-CD2 3.42Å; R119-H123 PolarHBondContact O-N 3.19Å |
| 120 | T | 92.2 | Very high | 90.6 | Very high | 78 Ų | 78 | 76.4 Ų | 76.4 | 48% | 0.479 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | S116 H117 I118 Y122 H123 M124 | S116-T120 PolarHBondContact O-N 3.31Å; S116-T120 PolarHBondContact O-OG1 3.42Å; S116-T120 VanDerWaalsContact O-OG1 3.08Å; H117-T120 WeakPolarHBondContact O-CB 3.33Å; H117-T120 PolarHBondContact O-N 3.16Å; I118-T120 VanDerWaalsContact C-N 3.26Å; I118-T120 PolarHBondContact O-N 3.25Å; T120-Y122 VanDerWaalsContact C-N 3.29Å; T120-Y122 PolarHBondContact O-N 2.86Å; T120-H123 PolarHBondContact O-N 3.17Å; T120-H123 VanDerWaalsContact O-N 3.13Å; T120-M124 HydrophobicContact CG2-SD 4.49Å; T120-M124 WeakPolarHBondContact O-CG 3.29Å; T120-M124 PolarHBondContact O-N 3.38Å |
| 121 | I | 90.8 | Very high | 90.6 | Very high | 82 Ų | 82 | 80 Ų | 80 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 176 | -61.3 | 171.8 | 0 | 0 | 0 | 110.1 | H117 I118 H123 M124 F125 | H117-I121 PolarHBondContact O-N 3.25Å; I118-I121 HydrophobicContact CD1-CD1 4.14Å; I118-I121 WeakPolarHBondContact O-CB 3.09Å; I118-I121 PolarHBondContact O-N 3.21Å; I118-I121 VanDerWaalsContact O-N 3.11Å; I121-H123 VanDerWaalsContact C-N 3.34Å; I121-H123 PolarHBondContact O-N 2.84Å; I121-M124 WeakPolarHBondContact O-CB 3.45Å; I121-M124 PolarHBondContact O-N 2.97Å; I121-M124 VanDerWaalsContact O-N 3.12Å; I121-F125 HydrophobicContact CG2-CD2 3.94Å; I121-F125 HydrophobicContact CG2-CE2 3.79Å; I121-F125 WeakPolarHBondContact O-CD2 3.22Å; I121-F125 PolarHBondContact O-N 3Å |
| 122 | Y | 89.9 | Confident | 90.4 | Very high | 58 Ų | 58 | 78 Ų | 78 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 175 | 178 | -109.8 | 0 | 0 | 0 | 112.6 | F113 I118 R119 T120 M124 F125 I126 F363 | F113-Y122 HydrophobicContact CE1-CD2 4.2Å; F113-Y122 HydrophobicContact CE1-CG 4.14Å; F113-Y122 HydrophobicContact CZ-CD2 4Å; F113-Y122 HydrophobicContact CZ-CG 4.36Å; I118-Y122 PolarHBondContact O-N 3.41Å; R119-Y122 WeakPolarHBondContact O-CB 3.32Å; R119-Y122 PolarHBondContact O-N 2.95Å; T120-Y122 VanDerWaalsContact C-N 3.29Å; T120-Y122 PolarHBondContact O-N 2.86Å; Y122-M124 VanDerWaalsContact C-N 3.33Å; Y122-M124 PolarHBondContact O-N 2.71Å; Y122-F125 PolarHBondContact O-N 3.42Å; Y122-I126 HydrophobicContact CD1-CD1 3.87Å; Y122-I126 HydrophobicContact CE1-CD1 3.39Å; Y122-I126 HydrophobicContact CE1-CG1 4.47Å; Y122-I126 HydrophobicContact CE2-CD1 4.3Å; Y122-I126 WeakPolarHBondContact O-CG1 3.48Å; Y122-I126 PolarHBondContact O-N 3.37Å; Y122-I126 VanDerWaalsContact O-N 3.12Å; Y122-F363 HydrophobicContact CD2-CZ 4.33Å; Y122-F363 HydrophobicContact CE2-CE1 4.17Å; Y122-F363 AromaticContact CE2-CZ 3.74Å; Y122-F363 HydrophobicContact CE2-CZ 3.74Å |
| 123 | H | 92.4 | Very high | 90.2 | Very high | 101 Ų | 101 | 78.1 Ų | 78.1 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 174.9 | -65.5 | -46.2 | 0 | 0 | 0 | 113.1 | R119 T120 I121 I126 A127 | R119-H123 WeakPolarHBondContact CG-NE2 3.26Å; R119-H123 PolarHBondContact O-CD2 3.42Å; R119-H123 PolarHBondContact O-N 3.19Å; T120-H123 PolarHBondContact O-N 3.17Å; T120-H123 VanDerWaalsContact O-N 3.13Å; I121-H123 VanDerWaalsContact C-N 3.34Å; I121-H123 PolarHBondContact O-N 2.84Å; H123-I126 PolarHBondContact O-N 3.12Å; H123-A127 WeakPolarHBondContact O-CB 3.16Å; H123-A127 PolarHBondContact O-N 3.17Å |
| 124 | M | 92.5 | Very high | 90.1 | Very high | 117 Ų | 117 | 81.9 Ų | 81.9 | 58% | 0.576 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 173.4 | -68.7 | 172.3 | 65.5 | 0 | 0 | 111.5 | T120 I121 Y122 I126 A127 V128 | T120-M124 HydrophobicContact CG2-SD 4.49Å; T120-M124 WeakPolarHBondContact O-CG 3.29Å; T120-M124 PolarHBondContact O-N 3.38Å; I121-M124 WeakPolarHBondContact O-CB 3.45Å; I121-M124 PolarHBondContact O-N 2.97Å; I121-M124 VanDerWaalsContact O-N 3.12Å; Y122-M124 VanDerWaalsContact C-N 3.33Å; Y122-M124 PolarHBondContact O-N 2.71Å; M124-I126 VanDerWaalsContact C-N 3.3Å; M124-I126 PolarHBondContact O-N 3.3Å; M124-A127 PolarHBondContact O-N 3.03Å; M124-V128 WeakPolarHBondContact O-CG2 3.26Å; M124-V128 PolarHBondContact O-N 2.87Å |
| 125 | F | 90.4 | Very high | 90 | Very high | 86 Ų | 86 | 77 Ų | 77 | 38% | 0.377 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 175.3 | -85.6 | -84 | 0 | 0 | 0 | 112.2 | I121 Y122 L129 Y316 L359 | I121-F125 HydrophobicContact CG2-CD2 3.94Å; I121-F125 HydrophobicContact CG2-CE2 3.79Å; I121-F125 WeakPolarHBondContact O-CD2 3.22Å; I121-F125 PolarHBondContact O-N 3Å; Y122-F125 PolarHBondContact O-N 3.42Å; F125-L129 PolarHBondContact O-N 2.9Å; F125-Y316 HydrophobicContact CB-CE2 4.48Å; F125-Y316 HydrophobicContact CD1-CE2 4.1Å; F125-Y316 WeakPolarHBondContact O-CE2 3.39Å; F125-L359 HydrophobicContact CZ-CD1 4.48Å |
| 126 | I | 90.4 | Very high | 89.6 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 173.9 | -66.1 | 168.8 | 0 | 0 | 0 | 110.9 | Y122 H123 M124 V128 L129 L130 | Y122-I126 HydrophobicContact CD1-CD1 3.87Å; Y122-I126 HydrophobicContact CE1-CD1 3.39Å; Y122-I126 HydrophobicContact CE1-CG1 4.47Å; Y122-I126 HydrophobicContact CE2-CD1 4.3Å; Y122-I126 WeakPolarHBondContact O-CG1 3.48Å; Y122-I126 PolarHBondContact O-N 3.37Å; Y122-I126 VanDerWaalsContact O-N 3.12Å; H123-I126 PolarHBondContact O-N 3.12Å; M124-I126 VanDerWaalsContact C-N 3.3Å; M124-I126 PolarHBondContact O-N 3.3Å; I126-V128 VanDerWaalsContact C-N 3.35Å; I126-V128 PolarHBondContact O-N 2.84Å; I126-L129 WeakPolarHBondContact O-CB 3.34Å; I126-L129 PolarHBondContact O-N 3.34Å; I126-L130 HydrophobicContact CG2-CD1 4.36Å; I126-L130 WeakPolarHBondContact O-CG 3.1Å; I126-L130 PolarHBondContact O-N 3.17Å |
| 127 | A | 92.8 | Very high | 89.4 | Confident | 44 Ų | 44 | 72.6 Ų | 72.6 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H123 M124 L129 L130 I131 | H123-A127 WeakPolarHBondContact O-CB 3.16Å; H123-A127 PolarHBondContact O-N 3.17Å; M124-A127 PolarHBondContact O-N 3.03Å; A127-L129 VanDerWaalsContact C-N 3.33Å; A127-L129 PolarHBondContact O-N 3.48Å; A127-L130 PolarHBondContact O-N 3.06Å; A127-I131 WeakPolarHBondContact O-CG1 3.24Å; A127-I131 PolarHBondContact O-N 2.76Å |
| 128 | V | 90.3 | Very high | 89.2 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 174.1 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | M124 I126 L130 I131 F132 Y316 | M124-V128 WeakPolarHBondContact O-CG2 3.26Å; M124-V128 PolarHBondContact O-N 2.87Å; I126-V128 VanDerWaalsContact C-N 3.35Å; I126-V128 PolarHBondContact O-N 2.84Å; V128-L130 PolarHBondContact O-N 3.42Å; V128-I131 PolarHBondContact O-N 2.78Å; V128-F132 HydrophobicContact CG1-CD2 3.81Å; V128-F132 HydrophobicContact CG1-CE2 3.44Å; V128-F132 VanDerWaalsContact CG1-CE2 3.44Å; V128-F132 HydrophobicContact CG1-CZ 4.07Å; V128-F132 WeakPolarHBondContact O-CD2 3.43Å; V128-F132 PolarHBondContact O-N 3.32Å; V128-Y316 WeakPolarHBondContact CG1-OH 3.32Å |
| 129 | L | 88.5 | Confident | 88.9 | Confident | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 173.9 | 174 | 60.7 | 0 | 0 | 0 | 112 | F125 I126 A127 I131 F132 C133 Y316 F319 | F125-L129 PolarHBondContact O-N 2.9Å; I126-L129 WeakPolarHBondContact O-CB 3.34Å; I126-L129 PolarHBondContact O-N 3.34Å; A127-L129 VanDerWaalsContact C-N 3.33Å; A127-L129 PolarHBondContact O-N 3.48Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 2.71Å; L129-F132 PolarHBondContact O-N 3.45Å; L129-C133 WeakPolarHBondContact O-CB 3.44Å; L129-C133 PolarHBondContact O-N 3.22Å; L129-Y316 HydrophobicContact CB-CD2 3.97Å; L129-Y316 HydrophobicContact CB-CE2 4.03Å; L129-Y316 HydrophobicContact CB-CG 4.36Å; L129-Y316 HydrophobicContact CD1-CD1 4.15Å; L129-Y316 HydrophobicContact CD1-CD2 4.19Å; L129-Y316 HydrophobicContact CD1-CG 3.78Å; L129-Y316 HydrophobicContact CD2-CD2 4.31Å; L129-Y316 HydrophobicContact CG-CD2 4.39Å; L129-Y316 HydrophobicContact CG-CG 4.46Å; L129-F319 HydrophobicContact CD1-CD2 3.81Å; L129-F319 HydrophobicContact CD1-CE2 4.22Å |
| 130 | L | 88.9 | Confident | 88.4 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 176.5 | -68.5 | 174.5 | 0 | 0 | 0 | 111.4 | I126 A127 V128 C133 L134 | I126-L130 HydrophobicContact CG2-CD1 4.36Å; I126-L130 WeakPolarHBondContact O-CG 3.1Å; I126-L130 PolarHBondContact O-N 3.17Å; A127-L130 PolarHBondContact O-N 3.06Å; V128-L130 PolarHBondContact O-N 3.42Å; L130-C133 WeakPolarHBondContact O-CB 3.44Å; L130-C133 PolarHBondContact O-N 3.5Å; L130-L134 WeakPolarHBondContact O-CB 3.3Å; L130-L134 VanDerWaalsContact O-CG 3.28Å; L130-L134 WeakPolarHBondContact O-CG 3.29Å; L130-L134 PolarHBondContact O-N 2.92Å |
| 131 | I | 90.9 | Very high | 88.1 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 55% | 0.549 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 175.6 | -68.2 | 166.7 | 0 | 0 | 0 | 111 | A127 V128 L129 C133 L134 S135 | A127-I131 WeakPolarHBondContact O-CG1 3.24Å; A127-I131 PolarHBondContact O-N 2.76Å; V128-I131 PolarHBondContact O-N 2.78Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 2.71Å; I131-C133 VanDerWaalsContact C-N 3.34Å; I131-C133 PolarHBondContact O-N 3.36Å; I131-L134 PolarHBondContact O-N 3.24Å; I131-S135 VanDerWaalsContact O-CB 3.25Å; I131-S135 WeakPolarHBondContact O-CB 3.19Å; I131-S135 PolarHBondContact O-N 3.44Å |
| 132 | F | 87.4 | Confident | 88 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 17% | 0.167 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 175.5 | -76.6 | -41.8 | 0 | 0 | 0 | 112.6 | V128 L129 S135 T136 Y316 F319 L324 M356 | V128-F132 HydrophobicContact CG1-CD2 3.81Å; V128-F132 HydrophobicContact CG1-CE2 3.44Å; V128-F132 VanDerWaalsContact CG1-CE2 3.44Å; V128-F132 HydrophobicContact CG1-CZ 4.07Å; V128-F132 WeakPolarHBondContact O-CD2 3.43Å; V128-F132 PolarHBondContact O-N 3.32Å; L129-F132 PolarHBondContact O-N 3.45Å; F132-S135 PolarHBondContact O-N 3.49Å; F132-T136 WeakPolarHBondContact O-CB 3.25Å; F132-T136 PolarHBondContact O-N 3.13Å; F132-T136 PolarHBondContact O-OG1 2.88Å; F132-Y316 HydrophobicContact CD2-CD1 4.43Å; F132-Y316 AromaticContact CD2-CE1 3.78Å; F132-Y316 HydrophobicContact CD2-CE1 3.78Å; F132-Y316 AromaticContact CE2-CE1 3.81Å; F132-Y316 HydrophobicContact CE2-CE1 3.81Å; F132-F319 HydrophobicContact CB-CB 4.19Å; F132-F319 HydrophobicContact CB-CG 4.45Å; F132-L324 HydrophobicContact CZ-CD1 4.16Å; F132-M356 HydrophobicContact CE2-CE 3.92Å; F132-M356 HydrophobicContact CZ-CE 4.43Å |
| 133 | C | 85.2 | Confident | 87.6 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 25% | 0.25 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.5 | -50.3 | 175 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | L129 L130 I131 S135 T136 L137 F319 | L129-C133 WeakPolarHBondContact O-CB 3.44Å; L129-C133 PolarHBondContact O-N 3.22Å; L130-C133 WeakPolarHBondContact O-CB 3.44Å; L130-C133 PolarHBondContact O-N 3.5Å; I131-C133 VanDerWaalsContact C-N 3.34Å; I131-C133 PolarHBondContact O-N 3.36Å; C133-S135 PolarHBondContact O-N 3.07Å; C133-T136 PolarHBondContact O-N 3.4Å; C133-L137 WeakPolarHBondContact O-CG 3.36Å; C133-L137 PolarHBondContact O-N 3.03Å; C133-F319 HydrophobicContact CB-CE2 4.11Å; C133-F319 HydrophobicContact CB-CZ 4.2Å |
| 134 | L | 88.3 | Confident | 86.9 | Confident | 116 Ų | 116 | 72 Ų | 72 | 61% | 0.607 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 177.1 | -71.9 | 171.7 | 0 | 0 | 0 | 112.1 | L130 I131 T136 L137 A138 | L130-L134 WeakPolarHBondContact O-CB 3.3Å; L130-L134 VanDerWaalsContact O-CG 3.28Å; L130-L134 WeakPolarHBondContact O-CG 3.29Å; L130-L134 PolarHBondContact O-N 2.92Å; I131-L134 PolarHBondContact O-N 3.24Å; L134-T136 VanDerWaalsContact C-N 3.35Å; L134-T136 PolarHBondContact O-N 3.28Å; L134-L137 PolarHBondContact O-N 3Å; L134-A138 VanDerWaalsContact O-CB 3.27Å; L134-A138 WeakPolarHBondContact O-CB 3.44Å; L134-A138 PolarHBondContact O-N 2.95Å |
| 135 | S | 87.1 | Confident | 86.2 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 111 | I131 F132 C133 A138 V139 R323 | I131-S135 VanDerWaalsContact O-CB 3.25Å; I131-S135 WeakPolarHBondContact O-CB 3.19Å; I131-S135 PolarHBondContact O-N 3.44Å; F132-S135 PolarHBondContact O-N 3.49Å; C133-S135 PolarHBondContact O-N 3.07Å; S135-A138 PolarHBondContact O-N 3.44Å; S135-V139 WeakPolarHBondContact O-CG2 3.25Å; S135-V139 PolarHBondContact O-N 3.3Å; S135-R323 PolarHBondContact O-NH2 3.12Å; S135-R323 PolarHBondContact OG-NH2 3.39Å |
| 136 | T | 83.1 | Confident | 85.3 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.4 | -52.9 | 176.2 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | F132 C133 L134 A138 V139 D140 L149 F319 R323 | F132-T136 WeakPolarHBondContact O-CB 3.25Å; F132-T136 PolarHBondContact O-N 3.13Å; F132-T136 PolarHBondContact O-OG1 2.88Å; C133-T136 PolarHBondContact O-N 3.4Å; L134-T136 VanDerWaalsContact C-N 3.35Å; L134-T136 PolarHBondContact O-N 3.28Å; T136-A138 VanDerWaalsContact C-N 3.26Å; T136-A138 PolarHBondContact O-N 2.85Å; T136-V139 PolarHBondContact O-N 3.48Å; T136-D140 VanDerWaalsContact O-CG 3.25Å; T136-D140 PolarHBondContact O-N 2.92Å; T136-L149 HydrophobicContact CG2-CD2 4.14Å; T136-F319 HydrophobicContact CG2-CD1 4.33Å; T136-F319 HydrophobicContact CG2-CE1 4Å; T136-R323 PolarHBondContact OG1-NE 2.84Å; T136-R323 VanDerWaalsContact OG1-NE 3.14Å |
| 137 | L | 84.6 | Confident | 84.2 | Confident | 45 Ų | 45 | 76.1 Ų | 76.1 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.4 | -38.7 | 175.3 | -70.1 | 171.3 | 0 | 0 | 0 | 113 | C133 L134 Y141 L147 L149 | C133-L137 WeakPolarHBondContact O-CG 3.36Å; C133-L137 PolarHBondContact O-N 3.03Å; L134-L137 PolarHBondContact O-N 3Å; L137-Y141 WeakPolarHBondContact O-CB 3.31Å; L137-Y141 PolarHBondContact O-N 2.9Å; L137-L147 HydrophobicContact CB-CD2 4.37Å; L137-L147 HydrophobicContact CD2-CD2 4.44Å; L137-L149 HydrophobicContact CD2-CD1 3.85Å; L137-L149 HydrophobicContact CD2-CD2 3.62Å; L137-L149 HydrophobicContact CD2-CG 3.56Å; L137-L149 HydrophobicContact CG-CD2 4.2Å |
| 138 | A | 86.7 | Confident | 82.7 | Confident | 48 Ų | 48 | 77.5 Ų | 77.5 | 40% | 0.397 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L134 S135 T136 Y141 I142 | L134-A138 VanDerWaalsContact O-CB 3.27Å; L134-A138 WeakPolarHBondContact O-CB 3.44Å; L134-A138 PolarHBondContact O-N 2.95Å; S135-A138 PolarHBondContact O-N 3.44Å; T136-A138 VanDerWaalsContact C-N 3.26Å; T136-A138 PolarHBondContact O-N 2.85Å; A138-Y141 PolarHBondContact O-N 3.39Å; A138-I142 WeakPolarHBondContact O-CD1 3.4Å; A138-I142 WeakPolarHBondContact O-CG1 3.38Å; A138-I142 PolarHBondContact O-N 3.43Å |
| 139 | V | 83.9 | Confident | 81.5 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | S135 T136 Y141 I142 D143 R323 | S135-V139 WeakPolarHBondContact O-CG2 3.25Å; S135-V139 PolarHBondContact O-N 3.3Å; T136-V139 PolarHBondContact O-N 3.48Å; V139-Y141 VanDerWaalsContact C-N 3.26Å; V139-Y141 PolarHBondContact O-N 2.97Å; V139-I142 PolarHBondContact O-N 3.13Å; V139-I142 VanDerWaalsContact O-N 3.09Å; V139-D143 VanDerWaalsContact CG1-OD2 3.3Å; V139-D143 WeakPolarHBondContact CG1-OD2 3.31Å; V139-D143 WeakPolarHBondContact O-CB 3.2Å; V139-D143 PolarHBondContact O-N 3.39Å; V139-R323 VanDerWaalsContact CB-NH2 3.25Å |
| 140 | D | 81.2 | Confident | 80.6 | Confident | 36 Ų | 36 | 80.3 Ų | 80.3 | 19% | 0.193 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 177.9 | -64.1 | -11.2 | 0 | 0 | 0 | 111 | T136 Q144 | T136-D140 VanDerWaalsContact O-CG 3.25Å; T136-D140 PolarHBondContact O-N 2.92Å; D140-Q144 WeakPolarHBondContact O-CB 3.46Å; D140-Q144 PolarHBondContact O-N 3.48Å |
| 141 | Y | 85.6 | Confident | 80.2 | Confident | 137 Ų | 137 | 78.1 Ų | 78.1 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 174.4 | -179 | -104.1 | 0 | 0 | 0 | 113.1 | L137 A138 V139 G145 L147 | L137-Y141 WeakPolarHBondContact O-CB 3.31Å; L137-Y141 PolarHBondContact O-N 2.9Å; A138-Y141 PolarHBondContact O-N 3.39Å; V139-Y141 VanDerWaalsContact C-N 3.26Å; V139-Y141 PolarHBondContact O-N 2.97Å; Y141-G145 WeakPolarHBondContact O-CA 3.48Å; Y141-G145 PolarHBondContact O-N 2.75Å; Y141-L147 HydrophobicContact CD2-CD2 4.14Å; Y141-L147 HydrophobicContact CD2-CG 3.98Å; Y141-L147 HydrophobicContact CG-CD2 4.3Å |
| 142 | I | 87.3 | Confident | 79.8 | Confident | 130 Ų | 130 | 77.7 Ų | 77.7 | 67% | 0.667 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.5 | -44 | 177.8 | -70.2 | 163.4 | 0 | 0 | 0 | 110.7 | A138 V139 | A138-I142 WeakPolarHBondContact O-CD1 3.4Å; A138-I142 WeakPolarHBondContact O-CG1 3.38Å; A138-I142 PolarHBondContact O-N 3.43Å; V139-I142 PolarHBondContact O-N 3.13Å; V139-I142 VanDerWaalsContact O-N 3.09Å |
| 143 | D | 81.9 | Confident | 79.6 | Confident | 120 Ų | 120 | 78.9 Ų | 78.9 | 64% | 0.642 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -77.1 | -42.7 | -173 | -70.3 | -12.2 | 0 | 0 | 0 | 112.2 | V139 | V139-D143 VanDerWaalsContact CG1-OD2 3.3Å; V139-D143 WeakPolarHBondContact CG1-OD2 3.31Å; V139-D143 WeakPolarHBondContact O-CB 3.2Å; V139-D143 PolarHBondContact O-N 3.39Å |
| 144 | Q | 79.1 | Confident | 79.7 | Confident | 98 Ų | 98 | 78.5 Ų | 78.5 | 46% | 0.458 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -109.6 | -8.8 | -172.4 | -58.9 | -173.1 | -9.1 | 0 | 0 | 114.1 | D140 R146 | D140-Q144 WeakPolarHBondContact O-CB 3.46Å; D140-Q144 PolarHBondContact O-N 3.48Å; Q144-R146 PolarHBondContact O-N 3.47Å |
| 145 | G | 76.2 | Confident | 79.6 | Confident | 52 Ų | 52 | 80.4 Ų | 80.4 | 54% | 0.536 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 66.5 | 10.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y141 | Y141-G145 WeakPolarHBondContact O-CA 3.48Å; Y141-G145 PolarHBondContact O-N 2.75Å |
| 146 | R | 71.3 | Confident | 79.8 | Confident | 182 Ų | 182 | 84 Ų | 84 | 69% | 0.687 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -135.2 | 143.7 | -179.4 | -64.3 | -175.7 | 178.2 | -179.4 | 0.8 | 110.6 | Q144 V148 | Q144-R146 PolarHBondContact O-N 3.47Å; R146-V148 VanDerWaalsContact C-N 3.26Å; R146-V148 HydrophobicContact CB-CG2 4.16Å; R146-V148 PolarHBondContact O-N 2.79Å; R146-V148 VanDerWaalsContact O-N 3.15Å |
| 147 | L | 67.8 | Low | 80.1 | Confident | 117 Ų | 117 | 84.8 Ų | 84.8 | 61% | 0.613 | 43% | 0.428 | S | S | * | . | trans | -87.1 | 57.2 | 175.7 | -68.6 | 164.9 | 0 | 0 | 0 | 111 | L137 Y141 | L137-L147 HydrophobicContact CB-CD2 4.37Å; L137-L147 HydrophobicContact CD2-CD2 4.44Å; Y141-L147 HydrophobicContact CD2-CD2 4.14Å; Y141-L147 HydrophobicContact CD2-CG 3.98Å; Y141-L147 HydrophobicContact CG-CD2 4.3Å | ||
| 148 | V | 61.6 | Low | 80.3 | Confident | 73 Ų | 73 | 85.9 Ų | 85.9 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | trans | -103.2 | 107.9 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | R146 E150 | R146-V148 VanDerWaalsContact C-N 3.26Å; R146-V148 HydrophobicContact CB-CG2 4.16Å; R146-V148 PolarHBondContact O-N 2.79Å; R146-V148 VanDerWaalsContact O-N 3.15Å; V148-E150 HydrophobicContact CG1-CG 4.2Å; V148-E150 PolarHBondContact O-N 2.89Å; V148-E150 VanDerWaalsContact O-N 3.11Å | ||
| 149 | L | 65.5 | Low | 80.5 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | trans | -72 | 100.3 | 166.9 | -71.2 | 169.5 | 0 | 0 | 0 | 108.1 | T136 L137 F151 | T136-L149 HydrophobicContact CG2-CD2 4.14Å; L137-L149 HydrophobicContact CD2-CD1 3.85Å; L137-L149 HydrophobicContact CD2-CD2 3.62Å; L137-L149 HydrophobicContact CD2-CG 3.56Å; L137-L149 HydrophobicContact CG-CD2 4.2Å; L149-F151 HydrophobicContact CB-CD2 4.37Å; L149-F151 HydrophobicContact CB-CE1 4.3Å; L149-F151 HydrophobicContact CB-CE2 3.73Å; L149-F151 HydrophobicContact CB-CZ 3.7Å; L149-F151 HydrophobicContact CD1-CE2 4.42Å; L149-F151 HydrophobicContact CD1-CZ 3.8Å; L149-F151 HydrophobicContact CG-CZ 4.35Å; L149-F151 WeakPolarHBondContact O-CD2 3.41Å; L149-F151 PolarHBondContact O-N 3.37Å | ||
| 150 | E | 69 | Low | 80.9 | Confident | 95 Ų | 95 | 87.5 Ų | 87.5 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | trans | -74.4 | 106.9 | 171.3 | -70.5 | 179.2 | 170.9 | 0 | 0 | 108.8 | V148 D152 Y318 | V148-E150 HydrophobicContact CG1-CG 4.2Å; V148-E150 PolarHBondContact O-N 2.89Å; V148-E150 VanDerWaalsContact O-N 3.11Å; E150-D152 PolarHBondContact O-N 3.29Å; E150-Y318 PolarHBondContact O-OH 3.24Å | ||
| 151 | F | 81.6 | Confident | 81.4 | Confident | 57 Ų | 57 | 90.1 Ų | 90.1 | 25% | 0.25 | 44% | 0.444 | C | S | . | . | trans | -87.7 | 27.1 | 175.8 | -63.5 | -70.9 | 0 | 0 | 0 | 112.2 | L149 L153 L154 F155 F315 Y318 | L149-F151 HydrophobicContact CB-CD2 4.37Å; L149-F151 HydrophobicContact CB-CE1 4.3Å; L149-F151 HydrophobicContact CB-CE2 3.73Å; L149-F151 HydrophobicContact CB-CZ 3.7Å; L149-F151 HydrophobicContact CD1-CE2 4.42Å; L149-F151 HydrophobicContact CD1-CZ 3.8Å; L149-F151 HydrophobicContact CG-CZ 4.35Å; L149-F151 WeakPolarHBondContact O-CD2 3.41Å; L149-F151 PolarHBondContact O-N 3.37Å; F151-L153 VanDerWaalsContact C-N 3.27Å; F151-L153 PolarHBondContact O-N 2.71Å; F151-L154 HydrophobicContact CB-CB 4.48Å; F151-L154 HydrophobicContact CB-CD1 4.41Å; F151-L154 HydrophobicContact CD1-CD1 3.93Å; F151-L154 WeakPolarHBondContact O-CA 3.49Å; F151-L154 WeakPolarHBondContact O-CB 3.49Å; F151-L154 PolarHBondContact O-N 3.1Å; F151-F155 HydrophobicContact CB-CD2 4.17Å; F151-F155 HydrophobicContact CB-CE2 3.97Å; F151-F155 VanDerWaalsContact O-CD2 3.32Å; F151-F155 WeakPolarHBondContact O-CD2 3.27Å; F151-F155 PolarHBondContact O-N 2.97Å; F151-F315 HydrophobicContact CD1-CE1 4.25Å; F151-F315 HydrophobicContact CE1-CD1 4.06Å; F151-F315 AromaticContact CE1-CE1 3.68Å; F151-F315 HydrophobicContact CE1-CE1 3.68Å; F151-F315 HydrophobicContact CZ-CE1 4.11Å; F151-Y318 HydrophobicContact CD1-CE1 4.35Å | ||
| 152 | D | 81.8 | Confident | 81.8 | Confident | 99 Ų | 99 | 86.4 Ų | 86.4 | 53% | 0.529 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.8 | -37.4 | -170.8 | -69.6 | -9 | 0 | 0 | 0 | 112.4 | E150 L154 F155 Y156 | E150-D152 PolarHBondContact O-N 3.29Å; D152-L154 VanDerWaalsContact C-N 3.31Å; D152-L154 PolarHBondContact O-N 2.86Å; D152-F155 PolarHBondContact O-N 3.04Å; D152-Y156 WeakPolarHBondContact O-CB 3.42Å; D152-Y156 PolarHBondContact O-N 2.66Å |
| 153 | L | 84.1 | Confident | 82.1 | Confident | 62 Ų | 62 | 82.2 Ų | 82.2 | 33% | 0.325 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.2 | -34 | 175.5 | 177.6 | 71.2 | 0 | 0 | 0 | 112.1 | F151 Y156 A157 Y318 V322 I326 | F151-L153 VanDerWaalsContact C-N 3.27Å; F151-L153 PolarHBondContact O-N 2.71Å; L153-Y156 HydrophobicContact CD1-CD1 4.45Å; L153-A157 WeakPolarHBondContact O-CB 3.46Å; L153-A157 PolarHBondContact O-N 3.43Å; L153-Y318 HydrophobicContact CB-CE2 4.06Å; L153-Y318 HydrophobicContact CD2-CD2 4.38Å; L153-Y318 HydrophobicContact CD2-CE2 4.24Å; L153-V322 HydrophobicContact CD2-CG2 3.87Å; L153-I326 HydrophobicContact CD2-CD1 4.21Å |
| 154 | L | 85.9 | Confident | 82.8 | Confident | 30 Ų | 30 | 76.8 Ų | 76.8 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.2 | -45.7 | 174.1 | -73.1 | 174.2 | 0 | 0 | 0 | 110.9 | F151 D152 Y156 A157 F158 F315 Y318 | F151-L154 HydrophobicContact CB-CB 4.48Å; F151-L154 HydrophobicContact CB-CD1 4.41Å; F151-L154 HydrophobicContact CD1-CD1 3.93Å; F151-L154 WeakPolarHBondContact O-CA 3.49Å; F151-L154 WeakPolarHBondContact O-CB 3.49Å; F151-L154 PolarHBondContact O-N 3.1Å; D152-L154 VanDerWaalsContact C-N 3.31Å; D152-L154 PolarHBondContact O-N 2.86Å; L154-Y156 VanDerWaalsContact C-N 3.31Å; L154-Y156 PolarHBondContact O-N 3.44Å; L154-A157 PolarHBondContact O-N 3.08Å; L154-F158 HydrophobicContact CD2-CD2 4.41Å; L154-F158 HydrophobicContact CD2-CE2 4.09Å; L154-F158 WeakPolarHBondContact O-CB 3.41Å; L154-F158 WeakPolarHBondContact O-CD2 3.16Å; L154-F158 PolarHBondContact O-N 3.31Å; L154-F315 HydrophobicContact CD1-CD1 4.5Å; L154-F315 HydrophobicContact CD1-CE1 4.29Å; L154-Y318 HydrophobicContact CD1-CD2 4.08Å; L154-Y318 HydrophobicContact CD1-CG 4.24Å; L154-Y318 HydrophobicContact CD2-CD2 4.08Å; L154-Y318 HydrophobicContact CG-CD2 3.65Å; L154-Y318 HydrophobicContact CG-CE2 4.12Å; L154-Y318 HydrophobicContact CG-CG 4.26Å |
| 155 | F | 87.5 | Confident | 83.6 | Confident | 156 Ų | 156 | 76.4 Ų | 76.4 | 68% | 0.684 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 177 | -72.1 | -63.2 | 0 | 0 | 0 | 112.4 | F151 D152 G159 | F151-F155 HydrophobicContact CB-CD2 4.17Å; F151-F155 HydrophobicContact CB-CE2 3.97Å; F151-F155 VanDerWaalsContact O-CD2 3.32Å; F151-F155 WeakPolarHBondContact O-CD2 3.27Å; F151-F155 PolarHBondContact O-N 2.97Å; D152-F155 PolarHBondContact O-N 3.04Å; F155-G159 WeakPolarHBondContact O-CA 3.07Å; F155-G159 PolarHBondContact O-N 3.36Å; F155-G159 VanDerWaalsContact O-N 3.1Å |
| 156 | Y | 89.7 | Confident | 84.5 | Confident | 129 Ų | 129 | 81 Ų | 81 | 51% | 0.506 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.5 | -54.1 | 171.2 | 172.3 | -101.5 | 0 | 0 | 0 | 110.8 | D152 L153 L154 F158 G159 P229 | D152-Y156 WeakPolarHBondContact O-CB 3.42Å; D152-Y156 PolarHBondContact O-N 2.66Å; L153-Y156 HydrophobicContact CD1-CD1 4.45Å; L154-Y156 VanDerWaalsContact C-N 3.31Å; L154-Y156 PolarHBondContact O-N 3.44Å; Y156-F158 VanDerWaalsContact C-N 3.34Å; Y156-F158 PolarHBondContact O-N 3.11Å; Y156-G159 PolarHBondContact O-N 2.88Å; Y156-G159 VanDerWaalsContact O-N 3.08Å; Y156-P229 WeakPolarHBondContact O-CB 3.34Å; Y156-P229 WeakPolarHBondContact O-CG 3.22Å |
| 157 | A | 89.4 | Confident | 85.6 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 16% | 0.157 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63 | -37.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L153 L154 P229 A231 S232 | L153-A157 WeakPolarHBondContact O-CB 3.46Å; L153-A157 PolarHBondContact O-N 3.43Å; L154-A157 PolarHBondContact O-N 3.08Å; A157-P229 WeakPolarHBondContact O-CB 3.26Å; A157-A231 HydrophobicContact CB-CB 3.99Å; A157-A231 VanDerWaalsContact O-CB 3.31Å; A157-A231 WeakPolarHBondContact O-CB 3.46Å; A157-A231 PolarHBondContact O-N 3.35Å; A157-S232 PolarHBondContact O-N 3.35Å |
| 158 | F | 90.1 | Very high | 87 | Confident | 68 Ų | 68 | 70 Ų | 70 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 20.4 | 176.1 | -69.6 | -82.2 | 0 | 0 | 0 | 112.8 | L154 Y156 L161 A231 I235 L314 | L154-F158 HydrophobicContact CD2-CD2 4.41Å; L154-F158 HydrophobicContact CD2-CE2 4.09Å; L154-F158 WeakPolarHBondContact O-CB 3.41Å; L154-F158 WeakPolarHBondContact O-CD2 3.16Å; L154-F158 PolarHBondContact O-N 3.31Å; Y156-F158 VanDerWaalsContact C-N 3.34Å; Y156-F158 PolarHBondContact O-N 3.11Å; F158-L161 HydrophobicContact CB-CD2 4.25Å; F158-L161 WeakPolarHBondContact O-CD2 3.49Å; F158-L161 WeakPolarHBondContact O-CG 3.43Å; F158-A231 HydrophobicContact CD1-CB 4.22Å; F158-A231 HydrophobicContact CD2-CB 4.48Å; F158-A231 HydrophobicContact CE1-CB 4.05Å; F158-A231 HydrophobicContact CE2-CB 4.31Å; F158-A231 HydrophobicContact CG-CB 4.44Å; F158-A231 HydrophobicContact CZ-CB 4.09Å; F158-I235 HydrophobicContact CD1-CD1 4.1Å; F158-I235 HydrophobicContact CE1-CD1 4.01Å; F158-L314 HydrophobicContact CE2-CD1 4.11Å; F158-L314 HydrophobicContact CZ-CD1 4.08Å |
| 159 | G | 90.3 | Very high | 88.7 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 19% | 0.186 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 160.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F155 Y156 L161 S232 | F155-G159 WeakPolarHBondContact O-CA 3.07Å; F155-G159 PolarHBondContact O-N 3.36Å; F155-G159 VanDerWaalsContact O-N 3.1Å; Y156-G159 PolarHBondContact O-N 2.88Å; Y156-G159 VanDerWaalsContact O-N 3.08Å; G159-L161 PolarHBondContact O-N 3.16Å; G159-S232 PolarHBondContact O-OG 2.92Å |
| 160 | K | 91.9 | Very high | 90.2 | Very high | 108 Ų | 108 | 70 Ų | 70 | 47% | 0.47 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 36.7 | 177.6 | -59 | 176.8 | 179.5 | 168.6 | 0 | 114.7 | G162 T163 V164 H226 Q227 L228 | K160-G162 PolarHBondContact O-N 2.89Å; K160-T163 PolarHBondContact O-N 3.43Å; K160-T163 VanDerWaalsContact O-N 3.14Å; K160-V164 PolarHBondContact O-N 3.33Å; K160-H226 PolarHBondContact NZ-O 2.85Å; K160-Q227 PolarHBondContact NZ-O 3.4Å; K160-L228 HydrophobicContact CB-CD2 3.71Å; K160-L228 HydrophobicContact CD-CD2 3.89Å; K160-L228 HydrophobicContact CG-CD2 4.46Å |
| 161 | L | 91.9 | Very high | 91.5 | Very high | 91 Ų | 91 | 65.5 Ų | 65.5 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55 | -34.9 | 179.2 | -65.4 | -179.2 | 0 | 0 | 0 | 114 | F158 G159 T163 V164 T165 | F158-L161 HydrophobicContact CB-CD2 4.25Å; F158-L161 WeakPolarHBondContact O-CD2 3.49Å; F158-L161 WeakPolarHBondContact O-CG 3.43Å; G159-L161 PolarHBondContact O-N 3.16Å; L161-T163 VanDerWaalsContact C-N 3.32Å; L161-T163 PolarHBondContact O-N 3.08Å; L161-V164 WeakPolarHBondContact O-CB 3.39Å; L161-V164 PolarHBondContact O-N 3.13Å; L161-V164 VanDerWaalsContact O-N 3.1Å; L161-T165 PolarHBondContact O-N 2.75Å; L161-T165 PolarHBondContact O-OG1 3.02Å; L161-T165 VanDerWaalsContact O-OG1 3.06Å |
| 162 | G | 93.8 | Very high | 92.2 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -57.2 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | K160 T165 W166 | K160-G162 PolarHBondContact O-N 2.89Å; G162-T165 PolarHBondContact O-N 3.47Å; G162-W166 PolarHBondContact O-N 2.87Å |
| 163 | T | 94.4 | Very high | 92.9 | Very high | 41 Ų | 41 | 62.3 Ų | 62.3 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.4 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | K160 L161 W166 A167 T222 H226 L228 | K160-T163 PolarHBondContact O-N 3.43Å; K160-T163 VanDerWaalsContact O-N 3.14Å; L161-T163 VanDerWaalsContact C-N 3.32Å; L161-T163 PolarHBondContact O-N 3.08Å; T163-W166 PolarHBondContact O-N 2.82Å; T163-A167 VanDerWaalsContact O-CB 3.32Å; T163-A167 WeakPolarHBondContact O-CB 3.33Å; T163-A167 PolarHBondContact O-N 2.82Å; T163-T222 HydrophobicContact CG2-CG2 4.11Å; T163-H226 HydrophobicContact CG2-CB 4.26Å; T163-L228 HydrophobicContact CG2-CD2 4.26Å |
| 164 | V | 95.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.7 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | K160 L161 W166 A167 W168 L228 I235 V236 | K160-V164 PolarHBondContact O-N 3.33Å; L161-V164 WeakPolarHBondContact O-CB 3.39Å; L161-V164 PolarHBondContact O-N 3.13Å; L161-V164 VanDerWaalsContact O-N 3.1Å; V164-W166 PolarHBondContact O-N 3.03Å; V164-A167 PolarHBondContact O-N 2.66Å; V164-W168 VanDerWaalsContact O-CB 3.3Å; V164-W168 WeakPolarHBondContact O-CB 3.17Å; V164-W168 PolarHBondContact O-N 3.12Å; V164-L228 HydrophobicContact CG2-CD1 4.09Å; V164-I235 HydrophobicContact CG1-CB 4.3Å; V164-I235 HydrophobicContact CG1-CG2 3.82Å; V164-V236 HydrophobicContact CB-CG2 4.38Å; V164-V236 HydrophobicContact CG1-CG2 3.89Å; V164-V236 HydrophobicContact CG2-CG2 4.26Å |
| 165 | T | 95.4 | Very high | 94 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 55% | 0.546 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 178.7 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | L161 G162 W168 L169 | L161-T165 PolarHBondContact O-N 2.75Å; L161-T165 PolarHBondContact O-OG1 3.02Å; L161-T165 VanDerWaalsContact O-OG1 3.06Å; G162-T165 PolarHBondContact O-N 3.47Å; T165-W168 PolarHBondContact O-N 3.31Å; T165-L169 WeakPolarHBondContact O-CB 3.32Å; T165-L169 PolarHBondContact O-N 2.97Å |
| 166 | W | 95.9 | Very high | 94.3 | Very high | 149 Ų | 149 | 51.9 Ų | 51.9 | 56% | 0.564 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.9 | -45.9 | 176.6 | 178.6 | 86.8 | 0 | 0 | 0 | 112.1 | G162 T163 V164 W168 L169 A170 F218 | G162-W166 PolarHBondContact O-N 2.87Å; T163-W166 PolarHBondContact O-N 2.82Å; V164-W166 PolarHBondContact O-N 3.03Å; W166-W168 VanDerWaalsContact C-N 3.34Å; W166-W168 PolarHBondContact O-N 3.45Å; W166-L169 PolarHBondContact O-N 3.38Å; W166-A170 PolarHBondContact O-N 3.32Å; W166-F218 HydrophobicContact CE3-CZ 4.26Å; W166-F218 AromaticContact CH2-CE2 3.75Å; W166-F218 HydrophobicContact CH2-CE2 3.75Å; W166-F218 AromaticContact CH2-CZ 3.8Å; W166-F218 HydrophobicContact CH2-CZ 3.8Å; W166-F218 AromaticContact CZ3-CE2 3.66Å; W166-F218 HydrophobicContact CZ3-CE2 3.66Å; W166-F218 AromaticContact CZ3-CZ 3.44Å; W166-F218 HydrophobicContact CZ3-CZ 3.44Å; W166-F218 VanDerWaalsContact CZ3-CZ 3.44Å |
| 167 | A | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T163 V164 A170 M171 T222 | T163-A167 VanDerWaalsContact O-CB 3.32Å; T163-A167 WeakPolarHBondContact O-CB 3.33Å; T163-A167 PolarHBondContact O-N 2.82Å; V164-A167 PolarHBondContact O-N 2.66Å; A167-A170 PolarHBondContact O-N 3.31Å; A167-M171 WeakPolarHBondContact O-CG 3.44Å; A167-M171 PolarHBondContact O-N 3.49Å; A167-T222 HydrophobicContact CB-CG2 3.87Å |
| 168 | W | 97 | Very high | 94.8 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.7 | -178.8 | 87.2 | 0 | 0 | 0 | 111.8 | V164 T165 W166 A170 M171 F172 E239 F243 F282 | V164-W168 VanDerWaalsContact O-CB 3.3Å; V164-W168 WeakPolarHBondContact O-CB 3.17Å; V164-W168 PolarHBondContact O-N 3.12Å; T165-W168 PolarHBondContact O-N 3.31Å; W166-W168 VanDerWaalsContact C-N 3.34Å; W166-W168 PolarHBondContact O-N 3.45Å; W168-A170 VanDerWaalsContact C-N 3.34Å; W168-A170 PolarHBondContact O-N 2.9Å; W168-M171 PolarHBondContact O-N 2.74Å; W168-F172 HydrophobicContact CE3-CB 4.43Å; W168-F172 HydrophobicContact CH2-CB 4.31Å; W168-F172 HydrophobicContact CH2-CD1 4.42Å; W168-F172 HydrophobicContact CH2-CD2 4.33Å; W168-F172 HydrophobicContact CH2-CG 4.08Å; W168-F172 HydrophobicContact CZ2-CB 4.41Å; W168-F172 HydrophobicContact CZ2-CD2 4.36Å; W168-F172 HydrophobicContact CZ2-CG 4.39Å; W168-F172 HydrophobicContact CZ3-CB 4.32Å; W168-F172 HydrophobicContact CZ3-CG 4.39Å; W168-F172 VanDerWaalsContact O-CB 3.26Å; W168-F172 WeakPolarHBondContact O-CB 3.14Å; W168-F172 PolarHBondContact O-N 3.36Å; W168-E239 PolarHBondContact NE1-OE2 3.38Å; W168-F243 HydrophobicContact CZ2-CZ 4.37Å; W168-F243 AromaticContact NE1-CE2 3.88Å; W168-F243 AromaticContact NE1-CZ 3.75Å; W168-F282 HydrophobicContact CH2-CE1 4.4Å; W168-F282 HydrophobicContact CZ2-CE1 4.46Å |
| 169 | L | 96.7 | Very high | 95 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 178.1 | -174.5 | 68.3 | 0 | 0 | 0 | 111.1 | T165 W166 F172 V173 | T165-L169 WeakPolarHBondContact O-CB 3.32Å; T165-L169 PolarHBondContact O-N 2.97Å; W166-L169 PolarHBondContact O-N 3.38Å; L169-F172 PolarHBondContact O-N 2.94Å; L169-V173 HydrophobicContact CD1-CG2 4.35Å; L169-V173 HydrophobicContact CG-CG2 4.39Å; L169-V173 WeakPolarHBondContact O-CB 3.03Å; L169-V173 VanDerWaalsContact O-CG2 3.26Å; L169-V173 WeakPolarHBondContact O-CG2 3.41Å; L169-V173 PolarHBondContact O-N 3.48Å |
| 170 | A | 96.1 | Very high | 95.1 | Very high | 34 Ų | 34 | 48 Ų | 48 | 28% | 0.281 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W166 A167 W168 F172 Y174 F218 | W166-A170 PolarHBondContact O-N 3.32Å; A167-A170 PolarHBondContact O-N 3.31Å; W168-A170 VanDerWaalsContact C-N 3.34Å; W168-A170 PolarHBondContact O-N 2.9Å; A170-F172 VanDerWaalsContact C-N 3.32Å; A170-F172 PolarHBondContact O-N 3.2Å; A170-Y174 WeakPolarHBondContact O-CB 3.31Å; A170-Y174 PolarHBondContact O-N 3.34Å; A170-F218 HydrophobicContact CB-CE1 3.92Å; A170-F218 HydrophobicContact CB-CZ 3.89Å |
| 171 | M | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.6 | -70.5 | -171.4 | -66.9 | 0 | 0 | 112.5 | A167 W168 T175 L215 F218 P219 V236 E239 Q240 F243 | A167-M171 WeakPolarHBondContact O-CG 3.44Å; A167-M171 PolarHBondContact O-N 3.49Å; W168-M171 PolarHBondContact O-N 2.74Å; M171-T175 WeakPolarHBondContact O-CB 3.36Å; M171-T175 PolarHBondContact O-N 3.08Å; M171-T175 PolarHBondContact O-OG1 3.15Å; M171-L215 HydrophobicContact CB-CD2 4.05Å; M171-L215 HydrophobicContact CG-CD2 4.07Å; M171-L215 HydrophobicContact SD-CD2 4.47Å; M171-F218 HydrophobicContact CG-CD1 4.3Å; M171-F218 HydrophobicContact CG-CE1 4.24Å; M171-P219 HydrophobicContact CG-CG 4.14Å; M171-P219 HydrophobicContact SD-CB 3.9Å; M171-P219 HydrophobicContact SD-CG 3.45Å; M171-P219 WeakPolarHBondContact SD-CG 3.27Å; M171-V236 HydrophobicContact CE-CG1 3.9Å; M171-E239 HydrophobicContact CE-CB 4.46Å; M171-Q240 HydrophobicContact SD-CB 3.95Å; M171-F243 HydrophobicContact CB-CD2 3.97Å; M171-F243 HydrophobicContact CB-CE2 4.02Å |
| 172 | F | 96.9 | Very high | 95 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -49 | 179.4 | 175.4 | -105.9 | 0 | 0 | 0 | 111.7 | W168 L169 A170 Y174 T175 L176 F243 L278 L281 F282 | W168-F172 HydrophobicContact CE3-CB 4.43Å; W168-F172 HydrophobicContact CH2-CB 4.31Å; W168-F172 HydrophobicContact CH2-CD1 4.42Å; W168-F172 HydrophobicContact CH2-CD2 4.33Å; W168-F172 HydrophobicContact CH2-CG 4.08Å; W168-F172 HydrophobicContact CZ2-CB 4.41Å; W168-F172 HydrophobicContact CZ2-CD2 4.36Å; W168-F172 HydrophobicContact CZ2-CG 4.39Å; W168-F172 HydrophobicContact CZ3-CB 4.32Å; W168-F172 HydrophobicContact CZ3-CG 4.39Å; W168-F172 VanDerWaalsContact O-CB 3.26Å; W168-F172 WeakPolarHBondContact O-CB 3.14Å; W168-F172 PolarHBondContact O-N 3.36Å; L169-F172 PolarHBondContact O-N 2.94Å; A170-F172 VanDerWaalsContact C-N 3.32Å; A170-F172 PolarHBondContact O-N 3.2Å; F172-Y174 VanDerWaalsContact C-N 3.31Å; F172-Y174 PolarHBondContact O-N 2.85Å; F172-T175 PolarHBondContact O-N 3.28Å; F172-L176 HydrophobicContact CE1-CD2 4.15Å; F172-L176 HydrophobicContact CZ-CD2 4.21Å; F172-L176 WeakPolarHBondContact O-CB 3.29Å; F172-L176 PolarHBondContact O-N 2.86Å; F172-F243 HydrophobicContact CB-CE2 4.47Å; F172-F243 HydrophobicContact CB-CZ 3.94Å; F172-F243 AromaticContact CD2-CE1 3.93Å; F172-F243 HydrophobicContact CD2-CE1 3.93Å; F172-F243 AromaticContact CD2-CZ 3.95Å; F172-F243 HydrophobicContact CD2-CZ 3.95Å; F172-F243 HydrophobicContact CG-CZ 4.45Å; F172-L278 HydrophobicContact CZ-CD1 4.01Å; F172-L281 HydrophobicContact CE2-CB 4.47Å; F172-L281 HydrophobicContact CE2-CD1 4.15Å; F172-F282 HydrophobicContact CD2-CZ 4.37Å; F172-F282 HydrophobicContact CE1-CZ 4.4Å; F172-F282 HydrophobicContact CE2-CE1 4.35Å; F172-F282 AromaticContact CE2-CE2 3.68Å; F172-F282 HydrophobicContact CE2-CE2 3.68Å; F172-F282 AromaticContact CE2-CZ 3.48Å; F172-F282 HydrophobicContact CE2-CZ 3.48Å; F172-F282 VanDerWaalsContact CE2-CZ 3.48Å; F172-F282 AromaticContact CZ-CE2 3.6Å; F172-F282 HydrophobicContact CZ-CE2 3.6Å; F172-F282 AromaticContact CZ-CZ 3.51Å; F172-F282 HydrophobicContact CZ-CZ 3.51Å |
| 173 | V | 96.6 | Very high | 94.8 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 40% | 0.4 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 177.2 | 169 | 0 | 0 | 0 | 0 | 110.4 | L169 L176 F177 | L169-V173 HydrophobicContact CD1-CG2 4.35Å; L169-V173 HydrophobicContact CG-CG2 4.39Å; L169-V173 WeakPolarHBondContact O-CB 3.03Å; L169-V173 VanDerWaalsContact O-CG2 3.26Å; L169-V173 WeakPolarHBondContact O-CG2 3.41Å; L169-V173 PolarHBondContact O-N 3.48Å; V173-L176 PolarHBondContact O-N 2.99Å; V173-F177 HydrophobicContact CG1-CD2 3.84Å; V173-F177 HydrophobicContact CG1-CE2 4.11Å; V173-F177 VanDerWaalsContact O-CD2 3.3Å; V173-F177 WeakPolarHBondContact O-CD2 3.22Å; V173-F177 PolarHBondContact O-N 3.4Å; V173-F177 VanDerWaalsContact O-N 3.12Å |
| 174 | Y | 96 | Very high | 94.6 | Very high | 16 Ų | 16 | 45 Ų | 45 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.7 | -54.4 | 173.1 | 170.1 | -97.8 | 0 | 0 | 0 | 111.6 | A170 F172 L176 F177 V178 P179 I210 Q211 V214 L215 | A170-Y174 WeakPolarHBondContact O-CB 3.31Å; A170-Y174 PolarHBondContact O-N 3.34Å; F172-Y174 VanDerWaalsContact C-N 3.31Å; F172-Y174 PolarHBondContact O-N 2.85Å; Y174-L176 PolarHBondContact O-N 2.89Å; Y174-F177 PolarHBondContact O-N 3.44Å; Y174-V178 HydrophobicContact CD2-CB 3.84Å; Y174-V178 HydrophobicContact CD2-CG1 4.33Å; Y174-V178 HydrophobicContact CD2-CG2 3.59Å; Y174-V178 HydrophobicContact CE2-CB 3.59Å; Y174-V178 HydrophobicContact CE2-CG1 3.61Å; Y174-V178 HydrophobicContact CE2-CG2 3.75Å; Y174-V178 WeakPolarHBondContact O-CB 3.2Å; Y174-V178 PolarHBondContact O-N 3.37Å; Y174-P179 WeakPolarHBondContact O-CD 3.34Å; Y174-I210 HydrophobicContact CE2-CG2 3.55Å; Y174-Q211 WeakPolarHBondContact OH-CA 3.01Å; Y174-Q211 PolarHBondContact OH-N 3.43Å; Y174-V214 HydrophobicContact CD1-CB 4.23Å; Y174-V214 HydrophobicContact CD1-CG1 3.83Å; Y174-V214 HydrophobicContact CD2-CB 3.81Å; Y174-V214 HydrophobicContact CD2-CG1 3.56Å; Y174-V214 HydrophobicContact CD2-CG2 3.9Å; Y174-V214 HydrophobicContact CE1-CB 4.33Å; Y174-V214 HydrophobicContact CE1-CG1 4.43Å; Y174-V214 HydrophobicContact CE2-CB 3.92Å; Y174-V214 HydrophobicContact CE2-CG1 4.19Å; Y174-V214 HydrophobicContact CE2-CG2 3.94Å; Y174-V214 HydrophobicContact CG-CB 3.98Å; Y174-V214 HydrophobicContact CG-CG1 3.36Å; Y174-L215 HydrophobicContact CD1-CD1 3.9Å; Y174-L215 HydrophobicContact CD1-CD2 3.94Å; Y174-L215 HydrophobicContact CD1-CG 3.63Å; Y174-L215 HydrophobicContact CE1-CD1 3.63Å; Y174-L215 HydrophobicContact CE1-CD2 4.4Å; Y174-L215 HydrophobicContact CE1-CG 3.58Å |
| 175 | T | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -33.2 | -176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | M171 F172 P179 F243 T247 Y277 L281 | M171-T175 WeakPolarHBondContact O-CB 3.36Å; M171-T175 PolarHBondContact O-N 3.08Å; M171-T175 PolarHBondContact O-OG1 3.15Å; F172-T175 PolarHBondContact O-N 3.28Å; T175-P179 VanDerWaalsContact O-CD 3.29Å; T175-P179 WeakPolarHBondContact O-CD 3.38Å; T175-P179 WeakPolarHBondContact O-CG 3.4Å; T175-F243 HydrophobicContact CG2-CB 4.2Å; T175-F243 HydrophobicContact CG2-CD1 3.82Å; T175-F243 HydrophobicContact CG2-CG 4.3Å; T175-T247 WeakPolarHBondContact CG2-OG1 3.29Å; T175-Y277 WeakPolarHBondContact O-CE1 3.21Å; T175-Y277 PolarHBondContact O-OH 2.71Å; T175-L281 HydrophobicContact CG2-CD1 4.38Å; T175-L281 HydrophobicContact CG2-CD2 3.76Å |
| 176 | L | 95.5 | Very high | 94 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.4 | -46.3 | -179.7 | 179.8 | 60.4 | 0 | 0 | 0 | 112.7 | F172 V173 Y174 F274 Y277 L278 L281 | F172-L176 HydrophobicContact CE1-CD2 4.15Å; F172-L176 HydrophobicContact CZ-CD2 4.21Å; F172-L176 WeakPolarHBondContact O-CB 3.29Å; F172-L176 PolarHBondContact O-N 2.86Å; V173-L176 PolarHBondContact O-N 2.99Å; Y174-L176 PolarHBondContact O-N 2.89Å; L176-F274 HydrophobicContact CD1-CE1 4.47Å; L176-F274 HydrophobicContact CD1-CE2 3.72Å; L176-F274 HydrophobicContact CD1-CZ 3.57Å; L176-F274 HydrophobicContact CD2-CZ 4Å; L176-F274 HydrophobicContact CG-CE2 3.99Å; L176-F274 HydrophobicContact CG-CZ 3.74Å; L176-Y277 HydrophobicContact CD1-CD1 4.42Å; L176-Y277 WeakPolarHBondContact O-CE1 3.35Å; L176-L278 HydrophobicContact CD1-CB 4.14Å; L176-L278 HydrophobicContact CD1-CD1 3.67Å; L176-L278 HydrophobicContact CD1-CG 4.47Å; L176-L278 HydrophobicContact CD2-CD1 4.14Å; L176-L281 HydrophobicContact CB-CD1 4.15Å; L176-L281 HydrophobicContact CD1-CD1 3.82Å |
| 177 | F | 94.7 | Very high | 93.5 | Very high | 82 Ų | 82 | 40.8 Ų | 40.8 | 36% | 0.36 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -96.1 | -47 | -170 | -66.6 | -63.6 | 0 | 0 | 0 | 113.2 | V173 Y174 Y180 F181 F274 | V173-F177 HydrophobicContact CG1-CD2 3.84Å; V173-F177 HydrophobicContact CG1-CE2 4.11Å; V173-F177 VanDerWaalsContact O-CD2 3.3Å; V173-F177 WeakPolarHBondContact O-CD2 3.22Å; V173-F177 PolarHBondContact O-N 3.4Å; V173-F177 VanDerWaalsContact O-N 3.12Å; Y174-F177 PolarHBondContact O-N 3.44Å; F177-Y180 PolarHBondContact O-N 3.16Å; F177-F181 HydrophobicContact CB-CD2 4Å; F177-F181 HydrophobicContact CB-CE2 3.92Å; F177-F181 HydrophobicContact CD1-CD2 4.47Å; F177-F181 AromaticContact CD1-CE2 3.61Å; F177-F181 HydrophobicContact CD1-CE2 3.61Å; F177-F181 HydrophobicContact CD1-CZ 4.31Å; F177-F181 HydrophobicContact CG-CE2 4.18Å; F177-F181 WeakPolarHBondContact O-CD2 3.48Å; F177-F181 PolarHBondContact O-N 3.48Å; F177-F274 HydrophobicContact CD1-CE2 4.26Å; F177-F274 HydrophobicContact CD1-CZ 4.33Å; F177-F274 HydrophobicContact CE1-CE2 4.28Å; F177-F274 AromaticContact CE1-CZ 3.9Å; F177-F274 HydrophobicContact CE1-CZ 3.9Å |
| 178 | V | 93.9 | Very high | 93.1 | Very high | 42 Ų | 42 | 43.2 Ų | 43.2 | 26% | 0.255 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67 | -51.2 | -167.7 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | Y174 Y180 I182 I210 | Y174-V178 HydrophobicContact CD2-CB 3.84Å; Y174-V178 HydrophobicContact CD2-CG1 4.33Å; Y174-V178 HydrophobicContact CD2-CG2 3.59Å; Y174-V178 HydrophobicContact CE2-CB 3.59Å; Y174-V178 HydrophobicContact CE2-CG1 3.61Å; Y174-V178 HydrophobicContact CE2-CG2 3.75Å; Y174-V178 WeakPolarHBondContact O-CB 3.2Å; Y174-V178 PolarHBondContact O-N 3.37Å; V178-Y180 VanDerWaalsContact C-N 3.28Å; V178-Y180 PolarHBondContact O-N 2.93Å; V178-I182 HydrophobicContact CG1-CD1 3.45Å; V178-I182 VanDerWaalsContact CG1-CD1 3.45Å; V178-I182 HydrophobicContact CG1-CG1 4.26Å; V178-I182 WeakPolarHBondContact O-CB 3.43Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.43Å; V178-I182 PolarHBondContact O-N 2.92Å; V178-I210 HydrophobicContact CG1-CG2 4.34Å |
| 179 | P | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -37.2 | 176.9 | -23.2 | 34 | 0 | 0 | 0 | 113.3 | Y174 T175 L183 F207 T247 | Y174-P179 WeakPolarHBondContact O-CD 3.34Å; T175-P179 VanDerWaalsContact O-CD 3.29Å; T175-P179 WeakPolarHBondContact O-CD 3.38Å; T175-P179 WeakPolarHBondContact O-CG 3.4Å; P179-L183 VanDerWaalsContact O-CB 3.25Å; P179-L183 WeakPolarHBondContact O-CB 3.43Å; P179-L183 PolarHBondContact O-N 3.49Å; P179-F207 HydrophobicContact CB-CE2 4.19Å; P179-F207 HydrophobicContact CG-CE2 4.17Å; P179-T247 HydrophobicContact CB-CG2 3.79Å; P179-T247 HydrophobicContact CG-CG2 3.48Å; P179-T247 VanDerWaalsContact CG-CG2 3.48Å |
| 180 | Y | 92.6 | Very high | 92.1 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -54 | -179.3 | -178.1 | -88.9 | 0 | 0 | 0 | 111.3 | F177 V178 L183 E184 F250 P272 F274 Y277 | F177-Y180 PolarHBondContact O-N 3.16Å; V178-Y180 VanDerWaalsContact C-N 3.28Å; V178-Y180 PolarHBondContact O-N 2.93Å; Y180-L183 PolarHBondContact O-N 2.9Å; Y180-E184 VanDerWaalsContact CE1-OE2 3.31Å; Y180-E184 WeakPolarHBondContact CE1-OE2 3.33Å; Y180-E184 PolarHBondContact O-N 3.44Å; Y180-F250 HydrophobicContact CD2-CZ 4.08Å; Y180-P272 WeakPolarHBondContact CE2-O 3.3Å; Y180-P272 PolarHBondContact OH-O 3.49Å; Y180-F274 HydrophobicContact CD1-CD2 4.01Å; Y180-F274 HydrophobicContact CD2-CD2 4.08Å; Y180-F274 HydrophobicContact CE1-CB 4.41Å; Y180-F274 HydrophobicContact CE1-CD2 4.1Å; Y180-F274 HydrophobicContact CE2-CB 3.98Å; Y180-F274 HydrophobicContact CE2-CD2 4.15Å; Y180-F274 HydrophobicContact CG-CD2 4.01Å; Y180-Y277 HydrophobicContact CD2-CD1 4.19Å |
| 181 | F | 91.5 | Very high | 91.4 | Very high | 110 Ų | 110 | 40.8 Ų | 40.8 | 48% | 0.482 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.5 | -36.4 | -177.9 | -71.1 | -57.4 | 0 | 0 | 0 | 113.2 | F177 L183 E184 F185 | F177-F181 HydrophobicContact CB-CD2 4Å; F177-F181 HydrophobicContact CB-CE2 3.92Å; F177-F181 HydrophobicContact CD1-CD2 4.47Å; F177-F181 AromaticContact CD1-CE2 3.61Å; F177-F181 HydrophobicContact CD1-CE2 3.61Å; F177-F181 HydrophobicContact CD1-CZ 4.31Å; F177-F181 HydrophobicContact CG-CE2 4.18Å; F177-F181 WeakPolarHBondContact O-CD2 3.48Å; F177-F181 PolarHBondContact O-N 3.48Å; F181-L183 VanDerWaalsContact C-N 3.31Å; F181-L183 PolarHBondContact O-N 3.28Å; F181-E184 PolarHBondContact O-N 3.4Å; F181-F185 VanDerWaalsContact O-CB 3.25Å; F181-F185 WeakPolarHBondContact O-CB 3.41Å; F181-F185 PolarHBondContact O-N 2.87Å |
| 182 | I | 91.1 | Very high | 90.7 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 175.3 | -72.6 | 174.3 | 0 | 0 | 0 | 110.5 | V178 W186 F207 I210 | V178-I182 HydrophobicContact CG1-CD1 3.45Å; V178-I182 VanDerWaalsContact CG1-CD1 3.45Å; V178-I182 HydrophobicContact CG1-CG1 4.26Å; V178-I182 WeakPolarHBondContact O-CB 3.43Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.43Å; V178-I182 PolarHBondContact O-N 2.92Å; I182-W186 WeakPolarHBondContact O-CB 3.34Å; I182-W186 PolarHBondContact O-N 2.95Å; I182-F207 HydrophobicContact CD1-CB 4.47Å; I182-F207 HydrophobicContact CD1-CD2 3.83Å; I182-F207 HydrophobicContact CG2-CB 4.3Å; I182-F207 HydrophobicContact CG2-CD2 4.38Å; I182-I210 HydrophobicContact CD1-CD1 4.44Å |
| 183 | L | 90 | Very high | 90.1 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.9 | -41.2 | 178.8 | -170.9 | 77.1 | 0 | 0 | 0 | 112 | P179 Y180 F181 W186 G187 F250 T254 I258 | P179-L183 VanDerWaalsContact O-CB 3.25Å; P179-L183 WeakPolarHBondContact O-CB 3.43Å; P179-L183 PolarHBondContact O-N 3.49Å; Y180-L183 PolarHBondContact O-N 2.9Å; F181-L183 VanDerWaalsContact C-N 3.31Å; F181-L183 PolarHBondContact O-N 3.28Å; L183-W186 HydrophobicContact CD1-CE3 3.89Å; L183-W186 HydrophobicContact CD1-CZ3 3.93Å; L183-G187 PolarHBondContact O-N 3.05Å; L183-F250 HydrophobicContact CD2-CD1 4.46Å; L183-F250 HydrophobicContact CD2-CE1 3.69Å; L183-F250 HydrophobicContact CD2-CZ 3.87Å; L183-T254 HydrophobicContact CD2-CG2 3.53Å; L183-I258 HydrophobicContact CD1-CD1 4.34Å; L183-I258 HydrophobicContact CD2-CD1 4.27Å; L183-I258 HydrophobicContact CG-CD1 4.02Å |
| 184 | E | 88.4 | Confident | 89.3 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 175.6 | -173.8 | 174.9 | -172.3 | 0 | 0 | 111.1 | Y180 F181 G187 S188 F271 | Y180-E184 VanDerWaalsContact CE1-OE2 3.31Å; Y180-E184 WeakPolarHBondContact CE1-OE2 3.33Å; Y180-E184 PolarHBondContact O-N 3.44Å; F181-E184 PolarHBondContact O-N 3.4Å; E184-G187 PolarHBondContact O-N 3.1Å; E184-S188 PolarHBondContact O-N 3.01Å; E184-S188 PolarHBondContact O-OG 3Å; E184-F271 HydrophobicContact CG-CD2 4.29Å; E184-F271 HydrophobicContact CG-CE2 4.27Å; E184-F271 HydrophobicContact CG-CG 4.41Å; E184-F271 HydrophobicContact CG-CZ 4.38Å |
| 185 | F | 88.6 | Confident | 88.9 | Confident | 134 Ų | 134 | 54.8 Ų | 54.8 | 59% | 0.588 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 177.5 | 177.3 | -102.1 | 0 | 0 | 0 | 112.7 | F181 S188 L189 | F181-F185 VanDerWaalsContact O-CB 3.25Å; F181-F185 WeakPolarHBondContact O-CB 3.41Å; F181-F185 PolarHBondContact O-N 2.87Å; F185-S188 PolarHBondContact O-OG 3.47Å; F185-L189 HydrophobicContact CD1-CD1 4.22Å; F185-L189 HydrophobicContact CD2-CD1 4.25Å; F185-L189 HydrophobicContact CE1-CD1 3.63Å; F185-L189 HydrophobicContact CE2-CD1 3.67Å; F185-L189 HydrophobicContact CZ-CD1 3.33Å; F185-L189 WeakPolarHBondContact O-CG 3.3Å; F185-L189 PolarHBondContact O-N 3.42Å |
| 186 | W | 90.6 | Very high | 88.4 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 9% | 0.087 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 176.3 | 165.9 | 79.4 | 0 | 0 | 0 | 111.1 | I182 L183 L189 Y190 T200 A203 A255 I258 L259 | I182-W186 WeakPolarHBondContact O-CB 3.34Å; I182-W186 PolarHBondContact O-N 2.95Å; L183-W186 HydrophobicContact CD1-CE3 3.89Å; L183-W186 HydrophobicContact CD1-CZ3 3.93Å; W186-L189 PolarHBondContact O-N 2.88Å; W186-Y190 AromaticContact CE2-CD2 3.94Å; W186-Y190 AromaticContact CZ2-CD2 3.79Å; W186-Y190 HydrophobicContact CZ2-CD2 3.79Å; W186-Y190 HydrophobicContact CZ2-CE2 4.14Å; W186-Y190 HydrophobicContact CZ2-CG 4.42Å; W186-Y190 AromaticContact NE1-CD2 3.94Å; W186-Y190 WeakPolarHBondContact O-CB 3.41Å; W186-Y190 PolarHBondContact O-N 2.92Å; W186-T200 HydrophobicContact CZ2-CG2 3.8Å; W186-T200 VanDerWaalsContact NE1-CG2 3.29Å; W186-A203 HydrophobicContact CB-CB 4.3Å; W186-A203 HydrophobicContact CG-CB 4.29Å; W186-A255 HydrophobicContact CH2-CB 4.09Å; W186-A255 HydrophobicContact CZ3-CB 4.27Å; W186-I258 HydrophobicContact CZ3-CB 4.29Å; W186-I258 HydrophobicContact CZ3-CD1 4.12Å; W186-I258 HydrophobicContact CZ3-CG2 4.13Å; W186-L259 HydrophobicContact CH2-CD1 3.4Å; W186-L259 VanDerWaalsContact CH2-CD1 3.4Å; W186-L259 HydrophobicContact CZ2-CD1 3.9Å |
| 187 | G | 86.3 | Confident | 87.9 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.9 | -33.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L183 E184 L189 | L183-G187 PolarHBondContact O-N 3.05Å; E184-G187 PolarHBondContact O-N 3.1Å; G187-L189 VanDerWaalsContact C-N 3.34Å |
| 188 | S | 86 | Confident | 87.5 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -35.9 | 174.7 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | E184 F185 | E184-S188 PolarHBondContact O-N 3.01Å; E184-S188 PolarHBondContact O-OG 3Å; F185-S188 PolarHBondContact O-OG 3.47Å |
| 189 | L | 86.2 | Confident | 87.3 | Confident | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.277 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -84.8 | -21.7 | -179.9 | -66.4 | 179.2 | 0 | 0 | 0 | 113.2 | F185 W186 G187 H191 T192 F193 L199 | F185-L189 HydrophobicContact CD1-CD1 4.22Å; F185-L189 HydrophobicContact CD2-CD1 4.25Å; F185-L189 HydrophobicContact CE1-CD1 3.63Å; F185-L189 HydrophobicContact CE2-CD1 3.67Å; F185-L189 HydrophobicContact CZ-CD1 3.33Å; F185-L189 WeakPolarHBondContact O-CG 3.3Å; F185-L189 PolarHBondContact O-N 3.42Å; W186-L189 PolarHBondContact O-N 2.88Å; G187-L189 VanDerWaalsContact C-N 3.34Å; L189-H191 VanDerWaalsContact C-N 3.32Å; L189-H191 PolarHBondContact O-N 2.87Å; L189-T192 PolarHBondContact O-N 2.98Å; L189-F193 VanDerWaalsContact O-CB 3.28Å; L189-F193 WeakPolarHBondContact O-CB 3.26Å; L189-F193 PolarHBondContact O-N 2.74Å; L189-L199 HydrophobicContact CB-CD2 3.65Å; L189-L199 HydrophobicContact CD1-CD1 4.47Å |
| 190 | Y | 86 | Confident | 87.1 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 13% | 0.125 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.3 | -40.7 | -171.5 | -176.3 | -99.4 | 0 | 0 | 0 | 114.3 | W186 K196 T200 L259 | W186-Y190 AromaticContact CE2-CD2 3.94Å; W186-Y190 AromaticContact CZ2-CD2 3.79Å; W186-Y190 HydrophobicContact CZ2-CD2 3.79Å; W186-Y190 HydrophobicContact CZ2-CE2 4.14Å; W186-Y190 HydrophobicContact CZ2-CG 4.42Å; W186-Y190 AromaticContact NE1-CD2 3.94Å; W186-Y190 WeakPolarHBondContact O-CB 3.41Å; W186-Y190 PolarHBondContact O-N 2.92Å; Y190-K196 HydrophobicContact CE2-CB 4.21Å; Y190-T200 HydrophobicContact CD2-CG2 3.92Å; Y190-T200 HydrophobicContact CE2-CG2 3.61Å; Y190-L259 HydrophobicContact CE1-CG 3.99Å; Y190-L259 HydrophobicContact CE2-CG 4.44Å |
| 191 | H | 82.4 | Confident | 86.9 | Confident | 55 Ų | 55 | 68 Ų | 68 | 26% | 0.255 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -21.5 | -178.4 | -69.4 | -68.8 | 0 | 0 | 0 | 113.4 | L189 I258 N261 P263 | L189-H191 VanDerWaalsContact C-N 3.32Å; L189-H191 PolarHBondContact O-N 2.87Å; H191-I258 PolarHBondContact NE2-O 3.19Å; H191-I258 VanDerWaalsContact NE2-O 3.15Å; H191-N261 PolarHBondContact NE2-O 2.9Å; H191-P263 HydrophobicContact CB-CG 4.41Å; H191-P263 WeakPolarHBondContact CD2-CD 3.38Å |
| 192 | T | 83.1 | Confident | 86.9 | Confident | 118 Ų | 118 | 64.2 Ų | 64.2 | 72% | 0.724 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -29.1 | -179.4 | -48.1 | 0 | 0 | 0 | 0 | 112.6 | L189 | L189-T192 PolarHBondContact O-N 2.98Š|
| 193 | F | 83.9 | Confident | 86.8 | Confident | 96 Ų | 96 | 63.2 Ų | 63.2 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | trans | -82.3 | 134.8 | -171.7 | -151.6 | -100 | 0 | 0 | 0 | 112.4 | L189 S195 L199 | L189-F193 VanDerWaalsContact O-CB 3.28Å; L189-F193 WeakPolarHBondContact O-CB 3.26Å; L189-F193 PolarHBondContact O-N 2.74Å; F193-S195 PolarHBondContact O-N 3.47Å; F193-L199 HydrophobicContact CB-CD2 3.94Å; F193-L199 HydrophobicContact CD1-CB 4.17Å; F193-L199 HydrophobicContact CG-CD2 4.37Å | ||
| 194 | P | 79.3 | Confident | 86.8 | Confident | 125 Ų | 125 | 64.1 Ų | 64.1 | 81% | 0.812 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -68.4 | -34.7 | -175.4 | 23.8 | -32.4 | 0 | 0 | 0 | 113.2 | ||
| 195 | S | 86.6 | Confident | 87 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 43% | 0.427 | 38% | 0.381 | S | S | . | . | trans | -100.5 | 81.6 | 177 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | F193 L197 G198 L199 | F193-S195 PolarHBondContact O-N 3.47Å; S195-L197 VanDerWaalsContact C-N 3.3Å; S195-L197 PolarHBondContact O-N 3.2Å; S195-G198 PolarHBondContact O-N 3.28Å; S195-G198 PolarHBondContact OG-N 3.27Å; S195-L199 PolarHBondContact O-N 3.12Å; S195-L199 VanDerWaalsContact O-N 3.07Å | ||
| 196 | K | 85.9 | Confident | 87.2 | Confident | 102 Ų | 102 | 65 Ų | 65 | 44% | 0.443 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57 | -43.2 | 179.8 | -61.8 | -178.2 | 179.9 | -178.1 | 0 | 112.3 | Y190 T200 | Y190-K196 HydrophobicContact CE2-CB 4.21Å; K196-T200 VanDerWaalsContact O-CG2 3.32Å; K196-T200 WeakPolarHBondContact O-CG2 3.43Å; K196-T200 PolarHBondContact O-N 2.78Å; K196-T200 PolarHBondContact O-OG1 3.41Å; K196-T200 VanDerWaalsContact O-OG1 3.13Å |
| 197 | L | 85.4 | Confident | 87.3 | Confident | 122 Ų | 122 | 64.8 Ų | 64.8 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.4 | -47.1 | 180 | -175.7 | 65.3 | 0 | 0 | 0 | 111.5 | S195 L199 T200 L201 | S195-L197 VanDerWaalsContact C-N 3.3Å; S195-L197 PolarHBondContact O-N 3.2Å; L197-L199 PolarHBondContact O-N 3.45Å; L197-T200 WeakPolarHBondContact CA-OG1 3.08Å; L197-T200 PolarHBondContact O-N 3.28Å; L197-T200 PolarHBondContact O-OG1 2.94Å; L197-L201 HydrophobicContact CD1-CD1 4.02Å; L197-L201 HydrophobicContact CD1-CG 4.22Å; L197-L201 HydrophobicContact CG-CD1 3.88Å; L197-L201 HydrophobicContact CG-CG 4.44Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 3.32Å |
| 198 | G | 87.1 | Confident | 87.6 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 40% | 0.402 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S195 L201 G202 | S195-G198 PolarHBondContact O-N 3.28Å; S195-G198 PolarHBondContact OG-N 3.27Å; G198-L201 PolarHBondContact O-N 2.94Å; G198-G202 PolarHBondContact O-N 3.13Å |
| 199 | L | 88.9 | Confident | 87.9 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 14% | 0.136 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 176.2 | -179.4 | 67 | 0 | 0 | 0 | 111.9 | L189 F193 S195 L197 A203 | L189-L199 HydrophobicContact CB-CD2 3.65Å; L189-L199 HydrophobicContact CD1-CD1 4.47Å; F193-L199 HydrophobicContact CB-CD2 3.94Å; F193-L199 HydrophobicContact CD1-CB 4.17Å; F193-L199 HydrophobicContact CG-CD2 4.37Å; S195-L199 PolarHBondContact O-N 3.12Å; S195-L199 VanDerWaalsContact O-N 3.07Å; L197-L199 PolarHBondContact O-N 3.45Å; L199-A203 VanDerWaalsContact O-CB 3.27Å; L199-A203 WeakPolarHBondContact O-CB 3.33Å; L199-A203 PolarHBondContact O-N 3.45Å |
| 200 | T | 88.8 | Confident | 88.3 | Confident | 41 Ų | 41 | 70 Ų | 70 | 25% | 0.252 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 178.2 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | W186 Y190 K196 L197 G204 | W186-T200 HydrophobicContact CZ2-CG2 3.8Å; W186-T200 VanDerWaalsContact NE1-CG2 3.29Å; Y190-T200 HydrophobicContact CD2-CG2 3.92Å; Y190-T200 HydrophobicContact CE2-CG2 3.61Å; K196-T200 VanDerWaalsContact O-CG2 3.32Å; K196-T200 WeakPolarHBondContact O-CG2 3.43Å; K196-T200 PolarHBondContact O-N 2.78Å; K196-T200 PolarHBondContact O-OG1 3.41Å; K196-T200 VanDerWaalsContact O-OG1 3.13Å; L197-T200 WeakPolarHBondContact CA-OG1 3.08Å; L197-T200 PolarHBondContact O-N 3.28Å; L197-T200 PolarHBondContact O-OG1 2.94Å; T200-G204 PolarHBondContact O-N 3.3Å |
| 201 | L | 89.4 | Confident | 88.7 | Confident | 113 Ų | 113 | 69.7 Ų | 69.7 | 59% | 0.592 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.7 | -42.4 | 179.7 | -70.2 | 173.8 | 0 | 0 | 0 | 111.1 | L197 G198 G204 L205 | L197-L201 HydrophobicContact CD1-CD1 4.02Å; L197-L201 HydrophobicContact CD1-CG 4.22Å; L197-L201 HydrophobicContact CG-CD1 3.88Å; L197-L201 HydrophobicContact CG-CG 4.44Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 3.32Å; G198-L201 PolarHBondContact O-N 2.94Å; L201-G204 PolarHBondContact O-N 3.05Å; L201-L205 VanDerWaalsContact O-CB 3.28Å; L201-L205 WeakPolarHBondContact O-CB 3.4Å; L201-L205 PolarHBondContact O-N 3.12Å |
| 202 | G | 90.1 | Very high | 89.2 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.4 | -52.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G198 G204 L205 I206 | G198-G202 PolarHBondContact O-N 3.13Å; G202-G204 VanDerWaalsContact C-N 3.33Å; G202-G204 PolarHBondContact O-N 3.44Å; G202-L205 PolarHBondContact O-N 3.23Å; G202-I206 VanDerWaalsContact O-CG1 3.27Å; G202-I206 WeakPolarHBondContact O-CG1 3.19Å; G202-I206 PolarHBondContact O-N 3.13Å |
| 203 | A | 89.8 | Confident | 89.7 | Confident | 20 Ų | 20 | 68.2 Ų | 68.2 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | W186 L199 F207 | W186-A203 HydrophobicContact CB-CB 4.3Å; W186-A203 HydrophobicContact CG-CB 4.29Å; L199-A203 VanDerWaalsContact O-CB 3.27Å; L199-A203 WeakPolarHBondContact O-CB 3.33Å; L199-A203 PolarHBondContact O-N 3.45Å; A203-F207 WeakPolarHBondContact O-CB 3.2Å; A203-F207 PolarHBondContact O-N 2.9Å |
| 204 | G | 90.9 | Very high | 90.1 | Very high | 31 Ų | 31 | 65.6 Ų | 65.6 | 32% | 0.32 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | T200 L201 G202 T208 | T200-G204 PolarHBondContact O-N 3.3Å; L201-G204 PolarHBondContact O-N 3.05Å; G202-G204 VanDerWaalsContact C-N 3.33Å; G202-G204 PolarHBondContact O-N 3.44Å; G204-T208 WeakPolarHBondContact O-CB 3.13Å; G204-T208 PolarHBondContact O-N 2.95Å; G204-T208 PolarHBondContact O-OG1 3.24Å |
| 205 | L | 92.3 | Very high | 90.8 | Very high | 121 Ų | 121 | 59.7 Ų | 59.7 | 63% | 0.634 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.1 | -49 | 176.8 | -176.3 | 65.6 | 0 | 0 | 0 | 110.9 | L201 G202 F207 T208 T209 | L201-L205 VanDerWaalsContact O-CB 3.28Å; L201-L205 WeakPolarHBondContact O-CB 3.4Å; L201-L205 PolarHBondContact O-N 3.12Å; G202-L205 PolarHBondContact O-N 3.23Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.02Å; L205-T208 PolarHBondContact O-N 2.87Å; L205-T209 PolarHBondContact O-N 2.96Å; L205-T209 PolarHBondContact O-OG1 3.41Å; L205-T209 VanDerWaalsContact O-OG1 3.07Å |
| 206 | I | 91.8 | Very high | 91.1 | Very high | 102 Ų | 102 | 57.8 Ų | 57.8 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.1 | -49.3 | 176.6 | -69.1 | 166.5 | 0 | 0 | 0 | 110 | G202 T208 T209 I210 | G202-I206 VanDerWaalsContact O-CG1 3.27Å; G202-I206 WeakPolarHBondContact O-CG1 3.19Å; G202-I206 PolarHBondContact O-N 3.13Å; I206-T208 PolarHBondContact O-N 3.39Å; I206-T209 PolarHBondContact O-N 3.41Å; I206-I210 HydrophobicContact CG2-CD1 3.67Å; I206-I210 HydrophobicContact CG2-CG1 4.42Å; I206-I210 VanDerWaalsContact O-CG1 3.26Å; I206-I210 WeakPolarHBondContact O-CG1 3.37Å; I206-I210 PolarHBondContact O-N 2.88Å |
| 207 | F | 93.2 | Very high | 91.5 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 9% | 0.088 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 178.5 | 176.3 | -108.2 | 0 | 0 | 0 | 112.1 | P179 I182 A203 L205 T209 I210 Q211 T247 I251 | P179-F207 HydrophobicContact CB-CE2 4.19Å; P179-F207 HydrophobicContact CG-CE2 4.17Å; I182-F207 HydrophobicContact CD1-CB 4.47Å; I182-F207 HydrophobicContact CD1-CD2 3.83Å; I182-F207 HydrophobicContact CG2-CB 4.3Å; I182-F207 HydrophobicContact CG2-CD2 4.38Å; A203-F207 WeakPolarHBondContact O-CB 3.2Å; A203-F207 PolarHBondContact O-N 2.9Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.02Å; F207-T209 PolarHBondContact O-N 3.27Å; F207-I210 PolarHBondContact O-N 3.33Å; F207-Q211 HydrophobicContact CZ-CB 4.43Å; F207-Q211 VanDerWaalsContact O-CB 3.23Å; F207-Q211 WeakPolarHBondContact O-CB 3.47Å; F207-Q211 PolarHBondContact O-N 2.91Å; F207-T247 HydrophobicContact CE2-CG2 4.35Å; F207-T247 HydrophobicContact CZ-CG2 3.62Å; F207-I251 HydrophobicContact CD1-CD1 3.92Å; F207-I251 HydrophobicContact CE1-CD1 3.15Å; F207-I251 HydrophobicContact CE2-CD1 3.88Å; F207-I251 HydrophobicContact CZ-CD1 3.15Å |
| 208 | T | 92.4 | Very high | 91.9 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | -179.7 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | G204 L205 I206 Q211 T212 | G204-T208 WeakPolarHBondContact O-CB 3.13Å; G204-T208 PolarHBondContact O-N 2.95Å; G204-T208 PolarHBondContact O-OG1 3.24Å; L205-T208 PolarHBondContact O-N 2.87Å; I206-T208 PolarHBondContact O-N 3.39Å; T208-Q211 PolarHBondContact O-N 3.38Å; T208-T212 WeakPolarHBondContact O-CB 3.41Å; T208-T212 PolarHBondContact O-N 3.31Å; T208-T212 PolarHBondContact O-OG1 2.84Å |
| 209 | T | 93.1 | Very high | 92.3 | Very high | 80 Ų | 80 | 52.7 Ų | 52.7 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62 | -50.8 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | L205 I206 F207 Q211 T212 C213 | L205-T209 PolarHBondContact O-N 2.96Å; L205-T209 PolarHBondContact O-OG1 3.41Å; L205-T209 VanDerWaalsContact O-OG1 3.07Å; I206-T209 PolarHBondContact O-N 3.41Å; F207-T209 PolarHBondContact O-N 3.27Å; T209-Q211 VanDerWaalsContact C-N 3.34Å; T209-Q211 PolarHBondContact O-N 3.15Å; T209-T212 PolarHBondContact O-N 3.48Å; T209-C213 PolarHBondContact O-N 3.13Å; T209-C213 PolarHBondContact O-SG 2.91Å; T209-C213 VanDerWaalsContact O-SG 3.33Å |
| 210 | I | 93.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 54 Ų | 54 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 179.1 | -63.7 | 169.7 | 0 | 0 | 0 | 110.5 | Y174 V178 I182 I206 F207 T212 C213 V214 | Y174-I210 HydrophobicContact CE2-CG2 3.55Å; V178-I210 HydrophobicContact CG1-CG2 4.34Å; I182-I210 HydrophobicContact CD1-CD1 4.44Å; I206-I210 HydrophobicContact CG2-CD1 3.67Å; I206-I210 HydrophobicContact CG2-CG1 4.42Å; I206-I210 VanDerWaalsContact O-CG1 3.26Å; I206-I210 WeakPolarHBondContact O-CG1 3.37Å; I206-I210 PolarHBondContact O-N 2.88Å; F207-I210 PolarHBondContact O-N 3.33Å; I210-T212 VanDerWaalsContact C-N 3.32Å; I210-T212 PolarHBondContact O-N 3.43Å; I210-C213 PolarHBondContact O-N 2.79Å; I210-V214 HydrophobicContact CG2-CG2 4.24Å; I210-V214 WeakPolarHBondContact O-CG2 3.38Å; I210-V214 PolarHBondContact O-N 2.95Å |
| 211 | Q | 94 | Very high | 92.7 | Very high | 27 Ų | 27 | 58.3 Ų | 58.3 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | 178.5 | -174.3 | 174.2 | 3.6 | 0 | 0 | 112 | Y174 F207 T208 T209 L215 G216 L244 | Y174-Q211 WeakPolarHBondContact OH-CA 3.01Å; Y174-Q211 PolarHBondContact OH-N 3.43Å; F207-Q211 HydrophobicContact CZ-CB 4.43Å; F207-Q211 VanDerWaalsContact O-CB 3.23Å; F207-Q211 WeakPolarHBondContact O-CB 3.47Å; F207-Q211 PolarHBondContact O-N 2.91Å; T208-Q211 PolarHBondContact O-N 3.38Å; T209-Q211 VanDerWaalsContact C-N 3.34Å; T209-Q211 PolarHBondContact O-N 3.15Å; Q211-L215 HydrophobicContact CG-CB 4.48Å; Q211-L215 HydrophobicContact CG-CD1 4.35Å; Q211-L215 WeakPolarHBondContact O-CA 3.28Å; Q211-L215 WeakPolarHBondContact O-CB 3.27Å; Q211-L215 PolarHBondContact O-N 3.27Å; Q211-G216 PolarHBondContact O-N 2.7Å; Q211-L244 HydrophobicContact CG-CD1 4.13Å |
| 212 | T | 92.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 53 Ų | 53 | 47% | 0.466 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -65.5 | -40.4 | 176.4 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | T208 T209 I210 G216 L217 | T208-T212 WeakPolarHBondContact O-CB 3.41Å; T208-T212 PolarHBondContact O-N 3.31Å; T208-T212 PolarHBondContact O-OG1 2.84Å; T209-T212 PolarHBondContact O-N 3.48Å; I210-T212 VanDerWaalsContact C-N 3.32Å; I210-T212 PolarHBondContact O-N 3.43Å; T212-G216 CarbonylContact O-C 3.46Å; T212-G216 WeakPolarHBondContact O-CA 3.19Å; T212-G216 PolarHBondContact O-N 3.13Å; T212-L217 PolarHBondContact O-N 3.1Å |
| 213 | C | 93.4 | Very high | 93.1 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -66.2 | -49.1 | 176.5 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | T209 I210 L217 F218 | T209-C213 PolarHBondContact O-N 3.13Å; T209-C213 PolarHBondContact O-SG 2.91Å; T209-C213 VanDerWaalsContact O-SG 3.33Å; I210-C213 PolarHBondContact O-N 2.79Å; C213-L217 PolarHBondContact O-N 2.82Å; C213-F218 PolarHBondContact O-N 2.88Å |
| 214 | V | 94.3 | Very high | 93.1 | Very high | 42 Ų | 42 | 54 Ų | 54 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | I | π-helix | trans | -87.1 | -40.9 | -169.8 | -175.8 | 0 | 0 | 0 | 0 | 113.5 | Y174 I210 F218 P219 | Y174-V214 HydrophobicContact CD1-CB 4.23Å; Y174-V214 HydrophobicContact CD1-CG1 3.83Å; Y174-V214 HydrophobicContact CD2-CB 3.81Å; Y174-V214 HydrophobicContact CD2-CG1 3.56Å; Y174-V214 HydrophobicContact CD2-CG2 3.9Å; Y174-V214 HydrophobicContact CE1-CB 4.33Å; Y174-V214 HydrophobicContact CE1-CG1 4.43Å; Y174-V214 HydrophobicContact CE2-CB 3.92Å; Y174-V214 HydrophobicContact CE2-CG1 4.19Å; Y174-V214 HydrophobicContact CE2-CG2 3.94Å; Y174-V214 HydrophobicContact CG-CB 3.98Å; Y174-V214 HydrophobicContact CG-CG1 3.36Å; I210-V214 HydrophobicContact CG2-CG2 4.24Å; I210-V214 WeakPolarHBondContact O-CG2 3.38Å; I210-V214 PolarHBondContact O-N 2.95Å; V214-F218 WeakPolarHBondContact O-CB 3.26Å; V214-P219 WeakPolarHBondContact O-CD 3.49Å |
| 215 | L | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -101 | -10.2 | 178 | -66.4 | -178.3 | 0 | 0 | 0 | 113 | M171 Y174 Q211 Q240 F243 L244 | M171-L215 HydrophobicContact CB-CD2 4.05Å; M171-L215 HydrophobicContact CG-CD2 4.07Å; M171-L215 HydrophobicContact SD-CD2 4.47Å; Y174-L215 HydrophobicContact CD1-CD1 3.9Å; Y174-L215 HydrophobicContact CD1-CD2 3.94Å; Y174-L215 HydrophobicContact CD1-CG 3.63Å; Y174-L215 HydrophobicContact CE1-CD1 3.63Å; Y174-L215 HydrophobicContact CE1-CD2 4.4Å; Y174-L215 HydrophobicContact CE1-CG 3.58Å; Q211-L215 HydrophobicContact CG-CB 4.48Å; Q211-L215 HydrophobicContact CG-CD1 4.35Å; Q211-L215 WeakPolarHBondContact O-CA 3.28Å; Q211-L215 WeakPolarHBondContact O-CB 3.27Å; Q211-L215 PolarHBondContact O-N 3.27Å; L215-Q240 VanDerWaalsContact O-CD 3.22Å; L215-Q240 WeakPolarHBondContact O-CG 3.43Å; L215-Q240 PolarHBondContact O-NE2 2.69Å; L215-F243 HydrophobicContact CD1-CB 4.26Å; L215-F243 HydrophobicContact CD2-CB 4.32Å; L215-L244 HydrophobicContact CB-CD1 4.49Å |
| 216 | G | 91.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -96.3 | -67.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q211 T212 I220 | Q211-G216 PolarHBondContact O-N 2.7Å; T212-G216 CarbonylContact O-C 3.46Å; T212-G216 WeakPolarHBondContact O-CA 3.19Å; T212-G216 PolarHBondContact O-N 3.13Å; G216-I220 WeakPolarHBondContact O-CD1 3.43Å; G216-I220 VanDerWaalsContact O-CG1 3.28Å; G216-I220 WeakPolarHBondContact O-CG1 3.32Å |
| 217 | L | 93.9 | Very high | 92.7 | Very high | 108 Ų | 108 | 56.3 Ų | 56.3 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | I | π-helix | trans | -78.8 | -42.7 | -169.7 | -62 | 176.2 | 0 | 0 | 0 | 113.6 | T212 C213 I220 Y221 | T212-L217 PolarHBondContact O-N 3.1Å; C213-L217 PolarHBondContact O-N 2.82Å; L217-I220 PolarHBondContact O-N 3.38Å; L217-Y221 WeakPolarHBondContact O-CB 3.4Å; L217-Y221 PolarHBondContact O-N 3.38Å |
| 218 | F | 95.1 | Very high | 92.6 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 21% | 0.211 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | -175.3 | 165.7 | -97.9 | 0 | 0 | 0 | 114.9 | W166 A170 M171 C213 V214 Y221 T222 | W166-F218 HydrophobicContact CE3-CZ 4.26Å; W166-F218 AromaticContact CH2-CE2 3.75Å; W166-F218 HydrophobicContact CH2-CE2 3.75Å; W166-F218 AromaticContact CH2-CZ 3.8Å; W166-F218 HydrophobicContact CH2-CZ 3.8Å; W166-F218 AromaticContact CZ3-CE2 3.66Å; W166-F218 HydrophobicContact CZ3-CE2 3.66Å; W166-F218 AromaticContact CZ3-CZ 3.44Å; W166-F218 HydrophobicContact CZ3-CZ 3.44Å; W166-F218 VanDerWaalsContact CZ3-CZ 3.44Å; A170-F218 HydrophobicContact CB-CE1 3.92Å; A170-F218 HydrophobicContact CB-CZ 3.89Å; M171-F218 HydrophobicContact CG-CD1 4.3Å; M171-F218 HydrophobicContact CG-CE1 4.24Å; C213-F218 PolarHBondContact O-N 2.88Å; V214-F218 WeakPolarHBondContact O-CB 3.26Å; F218-Y221 PolarHBondContact O-N 3.49Å; F218-T222 WeakPolarHBondContact O-CB 3.33Å; F218-T222 PolarHBondContact O-N 3.12Å; F218-T222 PolarHBondContact O-OG1 2.87Å |
| 219 | P | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 178.9 | -20.7 | 35.5 | 0 | 0 | 0 | 111.7 | M171 V214 T222 V223 V236 Q240 | M171-P219 HydrophobicContact CG-CG 4.14Å; M171-P219 HydrophobicContact SD-CB 3.9Å; M171-P219 HydrophobicContact SD-CG 3.45Å; M171-P219 WeakPolarHBondContact SD-CG 3.27Å; V214-P219 WeakPolarHBondContact O-CD 3.49Å; P219-T222 PolarHBondContact O-N 3.33Å; P219-V223 WeakPolarHBondContact O-CB 3.48Å; P219-V223 WeakPolarHBondContact O-CG2 3.27Å; P219-V223 PolarHBondContact O-N 3.38Å; P219-V236 HydrophobicContact CB-CG1 3.95Å; P219-Q240 HydrophobicContact CB-CB 4.3Å; P219-Q240 HydrophobicContact CB-CG 4.2Å; P219-Q240 HydrophobicContact CG-CB 4.31Å; P219-Q240 HydrophobicContact CG-CG 3.93Å |
| 220 | I | 93.4 | Very high | 92.5 | Very high | 53 Ų | 53 | 49.8 Ų | 49.8 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 174.1 | -65.4 | 174.5 | 0 | 0 | 0 | 110 | G216 L217 T222 V223 V224 Y443 M447 | G216-I220 WeakPolarHBondContact O-CD1 3.43Å; G216-I220 VanDerWaalsContact O-CG1 3.28Å; G216-I220 WeakPolarHBondContact O-CG1 3.32Å; L217-I220 PolarHBondContact O-N 3.38Å; I220-T222 VanDerWaalsContact C-N 3.28Å; I220-T222 PolarHBondContact O-N 2.98Å; I220-V223 PolarHBondContact O-N 2.82Å; I220-V224 HydrophobicContact CG2-CG2 4.39Å; I220-V224 WeakPolarHBondContact O-CB 3.41Å; I220-V224 WeakPolarHBondContact O-CG2 3.38Å; I220-V224 PolarHBondContact O-N 2.69Å; I220-Y443 HydrophobicContact CD1-CE2 3.94Å; I220-Y443 WeakPolarHBondContact CD1-OH 3.5Å; I220-Y443 HydrophobicContact CG1-CE2 4.27Å; I220-Y443 WeakPolarHBondContact CG1-OH 3.48Å; I220-M447 HydrophobicContact CB-CE 4.25Å; I220-M447 HydrophobicContact CG1-CE 4.24Å; I220-M447 HydrophobicContact CG2-CE 3.81Å; I220-M447 HydrophobicContact CG2-SD 4.49Å |
| 221 | Y | 93.4 | Very high | 92.4 | Very high | 131 Ų | 131 | 48.1 Ų | 48.1 | 51% | 0.514 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.5 | -46.3 | 176.3 | 172 | -100 | 0 | 0 | 0 | 110.9 | L217 F218 V223 V224 H225 | L217-Y221 WeakPolarHBondContact O-CB 3.4Å; L217-Y221 PolarHBondContact O-N 3.38Å; F218-Y221 PolarHBondContact O-N 3.49Å; Y221-V223 PolarHBondContact O-N 3.4Å; Y221-V224 PolarHBondContact O-N 2.84Å; Y221-H225 HydrophobicContact CD2-CB 4.19Å; Y221-H225 HydrophobicContact CE1-CB 4.37Å; Y221-H225 HydrophobicContact CE2-CB 3.87Å; Y221-H225 AromaticContact CE2-CD2 3.99Å; Y221-H225 AromaticContact CE2-CG 3.93Å; Y221-H225 AromaticContact CZ-CG 3.76Å; Y221-H225 WeakPolarHBondContact O-CB 3.33Å; Y221-H225 PolarHBondContact O-N 3.03Å |
| 222 | T | 93.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | -179.7 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | T163 A167 F218 P219 I220 H226 | T163-T222 HydrophobicContact CG2-CG2 4.11Å; A167-T222 HydrophobicContact CB-CG2 3.87Å; F218-T222 WeakPolarHBondContact O-CB 3.33Å; F218-T222 PolarHBondContact O-N 3.12Å; F218-T222 PolarHBondContact O-OG1 2.87Å; P219-T222 PolarHBondContact O-N 3.33Å; I220-T222 VanDerWaalsContact C-N 3.28Å; I220-T222 PolarHBondContact O-N 2.98Å; T222-H226 VanDerWaalsContact O-CB 3.32Å; T222-H226 WeakPolarHBondContact O-CB 3.49Å; T222-H226 PolarHBondContact O-CD2 3.28Å; T222-H226 PolarHBondContact O-N 3.42Å; T222-H226 VanDerWaalsContact O-N 3.16Å |
| 223 | V | 93.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | -179.5 | 159 | 0 | 0 | 0 | 0 | 112 | P219 I220 Y221 Q227 L228 R233 V236 I237 M447 | P219-V223 WeakPolarHBondContact O-CB 3.48Å; P219-V223 WeakPolarHBondContact O-CG2 3.27Å; P219-V223 PolarHBondContact O-N 3.38Å; I220-V223 PolarHBondContact O-N 2.82Å; Y221-V223 PolarHBondContact O-N 3.4Å; V223-Q227 PolarHBondContact O-N 3.36Å; V223-L228 HydrophobicContact CG2-CD1 4.18Å; V223-L228 PolarHBondContact O-N 2.89Å; V223-R233 HydrophobicContact CG1-CB 4.11Å; V223-R233 HydrophobicContact CG1-CG 3.62Å; V223-R233 HydrophobicContact CG2-CB 4.48Å; V223-R233 HydrophobicContact CG2-CG 4.44Å; V223-V236 HydrophobicContact CG2-CB 4.1Å; V223-V236 HydrophobicContact CG2-CG1 4.06Å; V223-I237 HydrophobicContact CG2-CD1 4.07Å; V223-I237 HydrophobicContact CG2-CG1 4.24Å; V223-M447 HydrophobicContact CB-CE 4.36Å; V223-M447 HydrophobicContact CG1-CE 3.87Å |
| 224 | V | 90.3 | Very high | 92.6 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -77.6 | -51.8 | -176.4 | 176.6 | 0 | 0 | 0 | 0 | 111 | I220 Y221 Q227 M447 | I220-V224 HydrophobicContact CG2-CG2 4.39Å; I220-V224 WeakPolarHBondContact O-CB 3.41Å; I220-V224 WeakPolarHBondContact O-CG2 3.38Å; I220-V224 PolarHBondContact O-N 2.69Å; Y221-V224 PolarHBondContact O-N 2.84Å; V224-Q227 VanDerWaalsContact O-CD 3.26Å; V224-Q227 WeakPolarHBondContact O-CG 3.32Å; V224-Q227 PolarHBondContact O-N 2.98Å; V224-Q227 PolarHBondContact O-NE2 3.45Å; V224-M447 HydrophobicContact CG2-CE 3.84Å |
| 225 | H | 90.6 | Very high | 92.7 | Very high | 113 Ų | 113 | 44.3 Ų | 44.3 | 52% | 0.523 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.3 | -43.9 | -175.1 | -176.4 | -96.1 | 0 | 0 | 0 | 112.4 | Y221 Q227 | Y221-H225 HydrophobicContact CD2-CB 4.19Å; Y221-H225 HydrophobicContact CE1-CB 4.37Å; Y221-H225 HydrophobicContact CE2-CB 3.87Å; Y221-H225 AromaticContact CE2-CD2 3.99Å; Y221-H225 AromaticContact CE2-CG 3.93Å; Y221-H225 AromaticContact CZ-CG 3.76Å; Y221-H225 WeakPolarHBondContact O-CB 3.33Å; Y221-H225 PolarHBondContact O-N 3.03Å; H225-Q227 PolarHBondContact O-N 3.49Å |
| 226 | H | 89.1 | Confident | 92.8 | Very high | 71 Ų | 71 | 44.3 Ų | 44.3 | 33% | 0.329 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0.9 | 178.7 | -65 | -74.9 | 0 | 0 | 0 | 113.5 | K160 T163 T222 L228 | K160-H226 PolarHBondContact NZ-O 2.85Å; T163-H226 HydrophobicContact CG2-CB 4.26Å; T222-H226 VanDerWaalsContact O-CB 3.32Å; T222-H226 WeakPolarHBondContact O-CB 3.49Å; T222-H226 PolarHBondContact O-CD2 3.28Å; T222-H226 PolarHBondContact O-N 3.42Å; T222-H226 VanDerWaalsContact O-N 3.16Å; H226-L228 HydrophobicContact CB-CD2 4.21Å; H226-L228 HydrophobicContact CB-CG 4.4Å; H226-L228 PolarHBondContact O-N 3.03Å |
| 227 | Q | 88.1 | Confident | 93.1 | Very high | 117 Ų | 117 | 43.3 Ų | 43.3 | 55% | 0.547 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 60.7 | -179.1 | -64.6 | -67.2 | -9.1 | 0 | 0 | 111.1 | K160 V223 V224 H225 | K160-Q227 PolarHBondContact NZ-O 3.4Å; V223-Q227 PolarHBondContact O-N 3.36Å; V224-Q227 VanDerWaalsContact O-CD 3.26Å; V224-Q227 WeakPolarHBondContact O-CG 3.32Å; V224-Q227 PolarHBondContact O-N 2.98Å; V224-Q227 PolarHBondContact O-NE2 3.45Å; H225-Q227 PolarHBondContact O-N 3.49Å |
| 228 | L | 90.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | -68.6 | 148.9 | -179.7 | -64.3 | -179.7 | 0 | 0 | 0 | 110.7 | K160 T163 V164 V223 H226 R233 V236 | K160-L228 HydrophobicContact CB-CD2 3.71Å; K160-L228 HydrophobicContact CD-CD2 3.89Å; K160-L228 HydrophobicContact CG-CD2 4.46Å; T163-L228 HydrophobicContact CG2-CD2 4.26Å; V164-L228 HydrophobicContact CG2-CD1 4.09Å; V223-L228 HydrophobicContact CG2-CD1 4.18Å; V223-L228 PolarHBondContact O-N 2.89Å; H226-L228 HydrophobicContact CB-CD2 4.21Å; H226-L228 HydrophobicContact CB-CG 4.4Å; H226-L228 PolarHBondContact O-N 3.03Å; L228-R233 HydrophobicContact CB-CG 3.73Å; L228-R233 WeakPolarHBondContact O-CD 3.39Å; L228-R233 WeakPolarHBondContact O-CG 3.37Å; L228-R233 PolarHBondContact O-NE 3.49Å; L228-R233 PolarHBondContact O-NH2 3.05Å; L228-V236 HydrophobicContact CD1-CG2 4.29Å | ||
| 229 | P | 92.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | trans | -69.5 | 163.9 | 172.7 | -19.9 | 33.9 | 0 | 0 | 0 | 112.8 | Y156 A157 A231 S232 R233 | Y156-P229 WeakPolarHBondContact O-CB 3.34Å; Y156-P229 WeakPolarHBondContact O-CG 3.22Å; A157-P229 WeakPolarHBondContact O-CB 3.26Å; P229-A231 PolarHBondContact O-N 3.18Å; P229-S232 WeakPolarHBondContact O-CB 3.41Å; P229-S232 PolarHBondContact O-N 3.06Å; P229-R233 WeakPolarHBondContact O-CG 3.29Å; P229-R233 PolarHBondContact O-N 3.36Å | ||
| 230 | P | 90.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.3 | -49.6 | -166.6 | -29.5 | 37.6 | 0 | 0 | 0 | 115.5 | S232 R233 F234 G448 W503 | P230-S232 VanDerWaalsContact C-N 3.34Å; P230-S232 PolarHBondContact O-N 2.83Å; P230-R233 WeakPolarHBondContact O-CB 3.4Å; P230-R233 PolarHBondContact O-N 3.46Å; P230-R233 VanDerWaalsContact O-N 3.16Å; P230-F234 WeakPolarHBondContact O-CD2 3.46Å; P230-F234 PolarHBondContact O-N 3.41Å; P230-G448 WeakPolarHBondContact CA-O 3.29Å; P230-W503 HydrophobicContact CB-CH2 4.35Å; P230-W503 HydrophobicContact CB-CZ3 4.4Å; P230-W503 HydrophobicContact CG-CH2 3.11Å; P230-W503 HydrophobicContact CG-CZ2 3.79Å; P230-W503 HydrophobicContact CG-CZ3 3.54Å |
| 231 | A | 91.9 | Very high | 93.5 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 21% | 0.207 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A157 F158 P229 R233 F234 I235 | A157-A231 HydrophobicContact CB-CB 3.99Å; A157-A231 VanDerWaalsContact O-CB 3.31Å; A157-A231 WeakPolarHBondContact O-CB 3.46Å; A157-A231 PolarHBondContact O-N 3.35Å; F158-A231 HydrophobicContact CD1-CB 4.22Å; F158-A231 HydrophobicContact CD2-CB 4.48Å; F158-A231 HydrophobicContact CE1-CB 4.05Å; F158-A231 HydrophobicContact CE2-CB 4.31Å; F158-A231 HydrophobicContact CG-CB 4.44Å; F158-A231 HydrophobicContact CZ-CB 4.09Å; P229-A231 PolarHBondContact O-N 3.18Å; A231-R233 VanDerWaalsContact C-N 3.34Å; A231-R233 PolarHBondContact O-N 3.24Å; A231-F234 PolarHBondContact O-N 3.48Å; A231-I235 WeakPolarHBondContact O-CG1 3.25Å; A231-I235 PolarHBondContact O-N 3Å |
| 232 | S | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 171.4 | -68.7 | 0 | 0 | 0 | 0 | 112.9 | A157 G159 P229 P230 I235 V236 | A157-S232 PolarHBondContact O-N 3.35Å; G159-S232 PolarHBondContact O-OG 2.92Å; P229-S232 WeakPolarHBondContact O-CB 3.41Å; P229-S232 PolarHBondContact O-N 3.06Å; P230-S232 VanDerWaalsContact C-N 3.34Å; P230-S232 PolarHBondContact O-N 2.83Å; S232-I235 PolarHBondContact O-N 3.49Å; S232-V236 PolarHBondContact O-N 3.1Å |
| 233 | R | 94.9 | Very high | 93.9 | Very high | 25 Ų | 25 | 37.7 Ų | 37.7 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 173.3 | -66.5 | -176.9 | 171.3 | 158.2 | 0.2 | 111.3 | V223 L228 P229 P230 A231 I235 V236 I237 M447 G448 F449 G450 | V223-R233 HydrophobicContact CG1-CB 4.11Å; V223-R233 HydrophobicContact CG1-CG 3.62Å; V223-R233 HydrophobicContact CG2-CB 4.48Å; V223-R233 HydrophobicContact CG2-CG 4.44Å; L228-R233 HydrophobicContact CB-CG 3.73Å; L228-R233 WeakPolarHBondContact O-CD 3.39Å; L228-R233 WeakPolarHBondContact O-CG 3.37Å; L228-R233 PolarHBondContact O-NE 3.49Å; L228-R233 PolarHBondContact O-NH2 3.05Å; P229-R233 WeakPolarHBondContact O-CG 3.29Å; P229-R233 PolarHBondContact O-N 3.36Å; P230-R233 WeakPolarHBondContact O-CB 3.4Å; P230-R233 PolarHBondContact O-N 3.46Å; P230-R233 VanDerWaalsContact O-N 3.16Å; A231-R233 VanDerWaalsContact C-N 3.34Å; A231-R233 PolarHBondContact O-N 3.24Å; R233-I235 VanDerWaalsContact C-N 3.3Å; R233-I235 PolarHBondContact O-N 2.89Å; R233-V236 PolarHBondContact O-N 2.86Å; R233-I237 VanDerWaalsContact O-CG1 3.32Å; R233-I237 WeakPolarHBondContact O-CG1 3.32Å; R233-I237 PolarHBondContact O-N 2.83Å; R233-M447 VanDerWaalsContact CD-O 3.29Å; R233-M447 WeakPolarHBondContact CD-O 3.28Å; R233-G448 WeakPolarHBondContact CD-O 3.3Å; R233-F449 PolarHBondContact NH1-O 2.94Å; R233-G450 VanDerWaalsContact NH1-CA 3.28Å |
| 234 | F | 95.3 | Very high | 94.1 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 19% | 0.193 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -41.6 | 178.2 | -84.6 | -69.5 | 0 | 0 | 0 | 112.4 | P230 A231 V236 I237 L238 A444 L445 F449 | P230-F234 WeakPolarHBondContact O-CD2 3.46Å; P230-F234 PolarHBondContact O-N 3.41Å; A231-F234 PolarHBondContact O-N 3.48Å; F234-V236 PolarHBondContact O-N 3.32Å; F234-I237 PolarHBondContact O-N 2.92Å; F234-L238 HydrophobicContact CB-CD1 4.45Å; F234-L238 WeakPolarHBondContact O-CB 3.43Å; F234-L238 WeakPolarHBondContact O-CG 3.33Å; F234-L238 PolarHBondContact O-N 2.87Å; F234-A444 VanDerWaalsContact CE1-O 3.31Å; F234-A444 WeakPolarHBondContact CE1-O 3.41Å; F234-L445 HydrophobicContact CE1-CD2 4.03Å; F234-L445 HydrophobicContact CZ-CD2 3.99Å; F234-F449 HydrophobicContact CE2-CD1 4.26Å; F234-F449 HydrophobicContact CE2-CE1 4.1Å; F234-F449 HydrophobicContact CE2-CZ 4.27Å; F234-F449 HydrophobicContact CZ-CD2 4.28Å; F234-F449 HydrophobicContact CZ-CE1 4.4Å; F234-F449 HydrophobicContact CZ-CE2 4.1Å; F234-F449 HydrophobicContact CZ-CZ 4.15Å |
| 235 | I | 95.8 | Very high | 94.4 | Very high | 62 Ų | 62 | 39 Ų | 39 | 32% | 0.318 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.5 | -51 | 177.6 | -67.6 | 165.7 | 0 | 0 | 0 | 110.8 | F158 V164 A231 S232 R233 E239 | F158-I235 HydrophobicContact CD1-CD1 4.1Å; F158-I235 HydrophobicContact CE1-CD1 4.01Å; V164-I235 HydrophobicContact CG1-CB 4.3Å; V164-I235 HydrophobicContact CG1-CG2 3.82Å; A231-I235 WeakPolarHBondContact O-CG1 3.25Å; A231-I235 PolarHBondContact O-N 3Å; S232-I235 PolarHBondContact O-N 3.49Å; R233-I235 VanDerWaalsContact C-N 3.3Å; R233-I235 PolarHBondContact O-N 2.89Å; I235-E239 VanDerWaalsContact O-CB 3.28Å; I235-E239 WeakPolarHBondContact O-CB 3.38Å; I235-E239 VanDerWaalsContact O-CG 3.25Å; I235-E239 WeakPolarHBondContact O-CG 3.4Å; I235-E239 PolarHBondContact O-N 3.06Å |
| 236 | V | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | -177.5 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | V164 M171 P219 V223 L228 S232 R233 F234 E239 Q240 | V164-V236 HydrophobicContact CB-CG2 4.38Å; V164-V236 HydrophobicContact CG1-CG2 3.89Å; V164-V236 HydrophobicContact CG2-CG2 4.26Å; M171-V236 HydrophobicContact CE-CG1 3.9Å; P219-V236 HydrophobicContact CB-CG1 3.95Å; V223-V236 HydrophobicContact CG2-CB 4.1Å; V223-V236 HydrophobicContact CG2-CG1 4.06Å; L228-V236 HydrophobicContact CD1-CG2 4.29Å; S232-V236 PolarHBondContact O-N 3.1Å; R233-V236 PolarHBondContact O-N 2.86Å; F234-V236 PolarHBondContact O-N 3.32Å; V236-E239 PolarHBondContact O-N 3.42Å; V236-Q240 VanDerWaalsContact O-CB 3.32Å; V236-Q240 WeakPolarHBondContact O-CB 3.43Å; V236-Q240 PolarHBondContact O-N 3.48Å |
| 237 | I | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.9 | -39.7 | -175.5 | -59.6 | -63.9 | 0 | 0 | 0 | 112.1 | V223 R233 F234 Q240 I241 Y443 M447 | V223-I237 HydrophobicContact CG2-CD1 4.07Å; V223-I237 HydrophobicContact CG2-CG1 4.24Å; R233-I237 VanDerWaalsContact O-CG1 3.32Å; R233-I237 WeakPolarHBondContact O-CG1 3.32Å; R233-I237 PolarHBondContact O-N 2.83Å; F234-I237 PolarHBondContact O-N 2.92Å; I237-Q240 WeakPolarHBondContact O-CB 3.43Å; I237-Q240 PolarHBondContact O-N 3.34Å; I237-I241 HydrophobicContact CG2-CD1 4.12Å; I237-I241 VanDerWaalsContact O-CG1 3.32Å; I237-I241 WeakPolarHBondContact O-CG1 3.46Å; I237-I241 PolarHBondContact O-N 2.73Å; I237-Y443 HydrophobicContact CG2-CD1 4.23Å; I237-Y443 HydrophobicContact CG2-CE1 3.69Å; I237-M447 HydrophobicContact CD1-CB 3.83Å; I237-M447 HydrophobicContact CD1-CE 4.43Å; I237-M447 HydrophobicContact CD1-CG 4.21Å; I237-M447 HydrophobicContact CG1-CB 3.72Å; I237-M447 HydrophobicContact CG2-CB 4.29Å |
| 238 | L | 96.4 | Very high | 95.3 | Very high | 91 Ų | 91 | 29.1 Ų | 29.1 | 48% | 0.476 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 176.1 | -69.2 | 176.2 | 0 | 0 | 0 | 111.4 | F234 I241 R242 A444 | F234-L238 HydrophobicContact CB-CD1 4.45Å; F234-L238 WeakPolarHBondContact O-CB 3.43Å; F234-L238 WeakPolarHBondContact O-CG 3.33Å; F234-L238 PolarHBondContact O-N 2.87Å; L238-I241 PolarHBondContact O-N 3.21Å; L238-R242 WeakPolarHBondContact O-CB 3.32Å; L238-R242 PolarHBondContact O-N 3.41Å; L238-A444 HydrophobicContact CD2-CB 4.49Å |
| 239 | E | 96.6 | Very high | 95.5 | Very high | 41 Ų | 41 | 29 Ų | 29 | 19% | 0.192 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 174.6 | -75.2 | -68.3 | 117 | 0 | 0 | 112 | W168 M171 I235 V236 R242 F243 | W168-E239 PolarHBondContact NE1-OE2 3.38Å; M171-E239 HydrophobicContact CE-CB 4.46Å; I235-E239 VanDerWaalsContact O-CB 3.28Å; I235-E239 WeakPolarHBondContact O-CB 3.38Å; I235-E239 VanDerWaalsContact O-CG 3.25Å; I235-E239 WeakPolarHBondContact O-CG 3.4Å; I235-E239 PolarHBondContact O-N 3.06Å; V236-E239 PolarHBondContact O-N 3.42Å; E239-R242 VanDerWaalsContact CD-NE 3.31Å; E239-R242 WeakPolarHBondContact O-CB 3.16Å; E239-R242 PolarHBondContact O-N 3.4Å; E239-R242 IonicContact OE1-CZ 3.04Å; E239-R242 IonicContact OE1-NE 3.43Å; E239-R242 PolarHBondContact OE1-NE 2.99Å; E239-R242 IonicContact OE1-NH2 2.75Å; E239-R242 IonicContact OE2-CZ 3.47Å; E239-R242 VanDerWaalsContact OE2-CZ 3.29Å; E239-R242 IonicContact OE2-NE 3.87Å; E239-R242 PolarHBondContact OE2-NE 2.97Å; E239-R242 VanDerWaalsContact OE2-NE 3.12Å; E239-R242 IonicContact OE2-NH2 3.06Å; E239-R242 PolarHBondContact OE2-NH2 3.49Å; E239-F243 HydrophobicContact CB-CE2 4.26Å; E239-F243 WeakPolarHBondContact O-CB 3.38Å; E239-F243 WeakPolarHBondContact O-CD2 3.26Å; E239-F243 WeakPolarHBondContact O-CG 3.45Å; E239-F243 PolarHBondContact O-N 3.33Å |
| 240 | Q | 96.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.4 | -51.9 | 171.2 | 173.6 | -164.5 | -8.7 | 0 | 0 | 111.6 | M171 L215 P219 V236 I237 R242 F243 L244 Y443 | M171-Q240 HydrophobicContact SD-CB 3.95Å; L215-Q240 VanDerWaalsContact O-CD 3.22Å; L215-Q240 WeakPolarHBondContact O-CG 3.43Å; L215-Q240 PolarHBondContact O-NE2 2.69Å; P219-Q240 HydrophobicContact CB-CB 4.3Å; P219-Q240 HydrophobicContact CB-CG 4.2Å; P219-Q240 HydrophobicContact CG-CB 4.31Å; P219-Q240 HydrophobicContact CG-CG 3.93Å; V236-Q240 VanDerWaalsContact O-CB 3.32Å; V236-Q240 WeakPolarHBondContact O-CB 3.43Å; V236-Q240 PolarHBondContact O-N 3.48Å; I237-Q240 WeakPolarHBondContact O-CB 3.43Å; I237-Q240 PolarHBondContact O-N 3.34Å; Q240-R242 VanDerWaalsContact C-N 3.3Å; Q240-R242 PolarHBondContact O-N 3.44Å; Q240-F243 PolarHBondContact O-N 3.44Å; Q240-L244 WeakPolarHBondContact O-CB 3.43Å; Q240-L244 PolarHBondContact O-N 2.88Å; Q240-Y443 PolarHBondContact NE2-OH 3.09Å; Q240-Y443 PolarHBondContact OE1-OH 2.9Å |
| 241 | I | 97.1 | Very high | 95.7 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 14% | 0.138 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 178.4 | -66.7 | 163.4 | 0 | 0 | 0 | 110.1 | I237 L238 F243 L244 M245 V440 Y443 A444 | I237-I241 HydrophobicContact CG2-CD1 4.12Å; I237-I241 VanDerWaalsContact O-CG1 3.32Å; I237-I241 WeakPolarHBondContact O-CG1 3.46Å; I237-I241 PolarHBondContact O-N 2.73Å; L238-I241 PolarHBondContact O-N 3.21Å; I241-F243 PolarHBondContact O-N 3.47Å; I241-L244 WeakPolarHBondContact O-CB 3.4Å; I241-L244 PolarHBondContact O-N 3.31Å; I241-M245 HydrophobicContact CG2-CG 4.39Å; I241-M245 HydrophobicContact CG2-SD 3.9Å; I241-M245 VanDerWaalsContact O-CG 3.29Å; I241-M245 WeakPolarHBondContact O-CG 3.25Å; I241-M245 PolarHBondContact O-N 2.94Å; I241-V440 HydrophobicContact CD1-CG1 3.93Å; I241-V440 HydrophobicContact CG1-CG1 4.39Å; I241-V440 HydrophobicContact CG2-CG1 4.18Å; I241-Y443 HydrophobicContact CD1-CD1 4.17Å; I241-Y443 HydrophobicContact CD1-CE1 4.35Å; I241-Y443 HydrophobicContact CG1-CE1 4.37Å; I241-A444 HydrophobicContact CD1-CB 4.05Å |
| 242 | R | 97.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 32.3 Ų | 32.3 | 19% | 0.192 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -47.8 | 177.1 | -171.8 | -180 | 74.2 | 79.2 | 4.4 | 111.7 | L238 E239 Q240 M245 K246 L281 L286 | L238-R242 WeakPolarHBondContact O-CB 3.32Å; L238-R242 PolarHBondContact O-N 3.41Å; E239-R242 VanDerWaalsContact CD-NE 3.31Å; E239-R242 WeakPolarHBondContact O-CB 3.16Å; E239-R242 PolarHBondContact O-N 3.4Å; E239-R242 IonicContact OE1-CZ 3.04Å; E239-R242 IonicContact OE1-NE 3.43Å; E239-R242 PolarHBondContact OE1-NE 2.99Å; E239-R242 IonicContact OE1-NH2 2.75Å; E239-R242 IonicContact OE2-CZ 3.47Å; E239-R242 VanDerWaalsContact OE2-CZ 3.29Å; E239-R242 IonicContact OE2-NE 3.87Å; E239-R242 PolarHBondContact OE2-NE 2.97Å; E239-R242 VanDerWaalsContact OE2-NE 3.12Å; E239-R242 IonicContact OE2-NH2 3.06Å; E239-R242 PolarHBondContact OE2-NH2 3.49Å; Q240-R242 VanDerWaalsContact C-N 3.3Å; Q240-R242 PolarHBondContact O-N 3.44Å; R242-M245 PolarHBondContact O-N 3.07Å; R242-K246 WeakPolarHBondContact O-CB 3.28Å; R242-K246 WeakPolarHBondContact O-CG 3.12Å; R242-K246 PolarHBondContact O-N 3.19Å; R242-L281 PolarHBondContact NH1-O 3.34Å; R242-L286 HydrophobicContact CG-CD2 4.42Å |
| 243 | F | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 178.1 | -71.9 | -47.2 | 0 | 0 | 0 | 112.4 | W168 M171 F172 T175 L215 E239 Q240 I241 K246 T247 | W168-F243 HydrophobicContact CZ2-CZ 4.37Å; W168-F243 AromaticContact NE1-CE2 3.88Å; W168-F243 AromaticContact NE1-CZ 3.75Å; M171-F243 HydrophobicContact CB-CD2 3.97Å; M171-F243 HydrophobicContact CB-CE2 4.02Å; F172-F243 HydrophobicContact CB-CE2 4.47Å; F172-F243 HydrophobicContact CB-CZ 3.94Å; F172-F243 AromaticContact CD2-CE1 3.93Å; F172-F243 HydrophobicContact CD2-CE1 3.93Å; F172-F243 AromaticContact CD2-CZ 3.95Å; F172-F243 HydrophobicContact CD2-CZ 3.95Å; F172-F243 HydrophobicContact CG-CZ 4.45Å; T175-F243 HydrophobicContact CG2-CB 4.2Å; T175-F243 HydrophobicContact CG2-CD1 3.82Å; T175-F243 HydrophobicContact CG2-CG 4.3Å; L215-F243 HydrophobicContact CD1-CB 4.26Å; L215-F243 HydrophobicContact CD2-CB 4.32Å; E239-F243 HydrophobicContact CB-CE2 4.26Å; E239-F243 WeakPolarHBondContact O-CB 3.38Å; E239-F243 WeakPolarHBondContact O-CD2 3.26Å; E239-F243 WeakPolarHBondContact O-CG 3.45Å; E239-F243 PolarHBondContact O-N 3.33Å; Q240-F243 PolarHBondContact O-N 3.44Å; I241-F243 PolarHBondContact O-N 3.47Å; F243-K246 PolarHBondContact O-N 3.01Å; F243-T247 VanDerWaalsContact O-CB 3.28Å; F243-T247 WeakPolarHBondContact O-CB 3.32Å; F243-T247 PolarHBondContact O-N 3.37Å; F243-T247 PolarHBondContact O-OG1 3.47Å |
| 244 | L | 96.4 | Very high | 95.3 | Very high | 79 Ų | 79 | 33.2 Ų | 33.2 | 41% | 0.414 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.7 | -50.3 | 175.2 | -167.9 | 80.7 | 0 | 0 | 0 | 111.3 | Q211 L215 Q240 I241 K246 T247 Y248 | Q211-L244 HydrophobicContact CG-CD1 4.13Å; L215-L244 HydrophobicContact CB-CD1 4.49Å; Q240-L244 WeakPolarHBondContact O-CB 3.43Å; Q240-L244 PolarHBondContact O-N 2.88Å; I241-L244 WeakPolarHBondContact O-CB 3.4Å; I241-L244 PolarHBondContact O-N 3.31Å; L244-K246 PolarHBondContact O-N 3.41Å; L244-T247 PolarHBondContact O-N 3.29Å; L244-Y248 WeakPolarHBondContact O-CB 3.45Å; L244-Y248 PolarHBondContact O-N 3.25Å |
| 245 | M | 96.7 | Very high | 95 | Very high | 22 Ų | 22 | 32 Ų | 32 | 11% | 0.108 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 179.9 | -68.1 | 176 | 87.9 | 0 | 0 | 112 | I241 R242 S249 L286 V405 W408 | I241-M245 HydrophobicContact CG2-CG 4.39Å; I241-M245 HydrophobicContact CG2-SD 3.9Å; I241-M245 VanDerWaalsContact O-CG 3.29Å; I241-M245 WeakPolarHBondContact O-CG 3.25Å; I241-M245 PolarHBondContact O-N 2.94Å; R242-M245 PolarHBondContact O-N 3.07Å; M245-S249 WeakPolarHBondContact O-CB 3.45Å; M245-S249 PolarHBondContact O-N 2.92Å; M245-L286 HydrophobicContact CB-CD1 4.48Å; M245-L286 HydrophobicContact CB-CD2 4.16Å; M245-L286 HydrophobicContact CE-CD1 3.53Å; M245-L286 HydrophobicContact SD-CD1 3.86Å; M245-V405 HydrophobicContact CE-CG1 4.2Å; M245-W408 HydrophobicContact CB-CD2 4.35Å; M245-W408 HydrophobicContact CB-CZ2 4.14Å; M245-W408 HydrophobicContact CE-CB 3.93Å; M245-W408 HydrophobicContact CE-CD2 3.39Å; M245-W408 HydrophobicContact CE-CE3 3.39Å; M245-W408 HydrophobicContact CE-CG 3.63Å; M245-W408 HydrophobicContact CE-CZ3 4.09Å; M245-W408 HydrophobicContact CG-CD2 4.28Å; M245-W408 HydrophobicContact CG-CH2 4.37Å; M245-W408 HydrophobicContact CG-CZ2 4.06Å; M245-W408 PolarHBondContact O-NE1 3.41Å |
| 246 | K | 96.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.013 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67 | -43.2 | 177.9 | -75.1 | -161.9 | 175.7 | -162.8 | 0 | 112.6 | R242 F243 L244 Y248 S249 F250 F280 L281 C283 T285 L286 | R242-K246 WeakPolarHBondContact O-CB 3.28Å; R242-K246 WeakPolarHBondContact O-CG 3.12Å; R242-K246 PolarHBondContact O-N 3.19Å; F243-K246 PolarHBondContact O-N 3.01Å; L244-K246 PolarHBondContact O-N 3.41Å; K246-Y248 VanDerWaalsContact C-N 3.33Å; K246-Y248 PolarHBondContact O-N 3.3Å; K246-S249 PolarHBondContact O-N 2.98Å; K246-F250 WeakPolarHBondContact O-CB 3.49Å; K246-F250 PolarHBondContact O-N 3.21Å; K246-F280 HydrophobicContact CB-CE1 3.74Å; K246-F280 HydrophobicContact CB-CZ 3.96Å; K246-F280 HydrophobicContact CD-CE1 4.16Å; K246-F280 HydrophobicContact CD-CZ 4.14Å; K246-F280 HydrophobicContact CG-CE1 4Å; K246-F280 HydrophobicContact CG-CZ 3.8Å; K246-F280 PolarHBondContact NZ-O 3.05Å; K246-F280 WeakPolarHBondContact O-CE1 3.37Å; K246-L281 HydrophobicContact CB-CD2 4.3Å; K246-L281 HydrophobicContact CD-CD2 4.29Å; K246-L281 PolarHBondContact NZ-O 3.44Å; K246-C283 PolarHBondContact NZ-O 2.93Å; K246-T285 VanDerWaalsContact CE-O 3.27Å; K246-T285 WeakPolarHBondContact CE-O 3.44Å; K246-L286 HydrophobicContact CG-CD2 3.78Å |
| 247 | T | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | T175 P179 F207 F243 L244 S249 F250 I251 | T175-T247 WeakPolarHBondContact CG2-OG1 3.29Å; P179-T247 HydrophobicContact CB-CG2 3.79Å; P179-T247 HydrophobicContact CG-CG2 3.48Å; P179-T247 VanDerWaalsContact CG-CG2 3.48Å; F207-T247 HydrophobicContact CE2-CG2 4.35Å; F207-T247 HydrophobicContact CZ-CG2 3.62Å; F243-T247 VanDerWaalsContact O-CB 3.28Å; F243-T247 WeakPolarHBondContact O-CB 3.32Å; F243-T247 PolarHBondContact O-N 3.37Å; F243-T247 PolarHBondContact O-OG1 3.47Å; L244-T247 PolarHBondContact O-N 3.29Å; T247-S249 PolarHBondContact O-N 2.71Å; T247-F250 PolarHBondContact O-N 2.91Å; T247-I251 HydrophobicContact CG2-CD1 4.13Å; T247-I251 WeakPolarHBondContact O-CG1 3.49Å; T247-I251 PolarHBondContact O-N 2.87Å; T247-I251 VanDerWaalsContact O-N 3.16Å |
| 248 | Y | 94.7 | Very high | 93.5 | Very high | 92 Ų | 92 | 34.9 Ų | 34.9 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.2 | -48 | 176 | -175.2 | -83 | 0 | 0 | 0 | 111.8 | L244 K246 F250 I251 R252 W408 Y412 | L244-Y248 WeakPolarHBondContact O-CB 3.45Å; L244-Y248 PolarHBondContact O-N 3.25Å; K246-Y248 VanDerWaalsContact C-N 3.33Å; K246-Y248 PolarHBondContact O-N 3.3Å; Y248-F250 PolarHBondContact O-N 2.94Å; Y248-I251 PolarHBondContact O-N 2.94Å; Y248-R252 HydrophobicContact CD1-CB 4.32Å; Y248-R252 HydrophobicContact CE1-CB 3.98Å; Y248-R252 HydrophobicContact CE1-CG 4.18Å; Y248-R252 VanDerWaalsContact O-CB 3.27Å; Y248-R252 WeakPolarHBondContact O-CB 3.48Å; Y248-R252 PolarHBondContact O-N 2.94Å; Y248-W408 AromaticContact CD1-CZ2 3.81Å; Y248-W408 HydrophobicContact CD1-CZ2 3.81Å; Y248-W408 AromaticContact CG-CZ2 3.99Å; Y248-W408 HydrophobicContact CG-CZ2 3.99Å; Y248-Y412 HydrophobicContact CD1-CD2 4.41Å; Y248-Y412 HydrophobicContact CD1-CG 4.15Å; Y248-Y412 HydrophobicContact CE1-CD1 4.18Å; Y248-Y412 AromaticContact CE1-CG 3.9Å; Y248-Y412 HydrophobicContact CE1-CG 3.9Å |
| 249 | S | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 179.7 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | M245 K246 T247 I251 R252 E253 L286 I287 Y288 Y412 | M245-S249 WeakPolarHBondContact O-CB 3.45Å; M245-S249 PolarHBondContact O-N 2.92Å; K246-S249 PolarHBondContact O-N 2.98Å; T247-S249 PolarHBondContact O-N 2.71Å; S249-I251 PolarHBondContact O-N 3.27Å; S249-R252 PolarHBondContact O-N 2.9Å; S249-E253 WeakPolarHBondContact O-CB 3.39Å; S249-E253 WeakPolarHBondContact O-CG 3.23Å; S249-E253 PolarHBondContact O-N 3.3Å; S249-L286 WeakPolarHBondContact CB-O 3.11Å; S249-L286 PolarHBondContact OG-O 3.14Å; S249-I287 WeakPolarHBondContact OG-CA 3.34Å; S249-Y288 PolarHBondContact OG-N 2.51Å; S249-Y412 WeakPolarHBondContact OG-CE2 3.27Å; S249-Y412 PolarHBondContact OG-OH 3.48Å |
| 250 | F | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 178.9 | 173.9 | -110.8 | 0 | 0 | 0 | 112.3 | Y180 L183 K246 T247 Y248 T254 P272 Y277 F280 Y288 | Y180-F250 HydrophobicContact CD2-CZ 4.08Å; L183-F250 HydrophobicContact CD2-CD1 4.46Å; L183-F250 HydrophobicContact CD2-CE1 3.69Å; L183-F250 HydrophobicContact CD2-CZ 3.87Å; K246-F250 WeakPolarHBondContact O-CB 3.49Å; K246-F250 PolarHBondContact O-N 3.21Å; T247-F250 PolarHBondContact O-N 2.91Å; Y248-F250 PolarHBondContact O-N 2.94Å; F250-T254 VanDerWaalsContact O-CB 3.26Å; F250-T254 WeakPolarHBondContact O-CB 3.21Å; F250-T254 PolarHBondContact O-N 3.04Å; F250-T254 VanDerWaalsContact O-N 3.08Å; F250-T254 PolarHBondContact O-OG1 3.49Å; F250-P272 HydrophobicContact CE2-CB 4.28Å; F250-P272 HydrophobicContact CE2-CG 3.83Å; F250-P272 HydrophobicContact CZ-CG 3.84Å; F250-Y277 HydrophobicContact CB-CD2 4.19Å; F250-Y277 HydrophobicContact CB-CE2 3.62Å; F250-Y277 HydrophobicContact CD1-CD2 4.08Å; F250-Y277 AromaticContact CD1-CE2 3.67Å; F250-Y277 HydrophobicContact CD1-CE2 3.67Å; F250-Y277 AromaticContact CD1-CZ 3.99Å; F250-Y277 AromaticContact CD2-CD2 3.3Å; F250-Y277 HydrophobicContact CD2-CD2 3.3Å; F250-Y277 AromaticContact CD2-CE2 3.61Å; F250-Y277 HydrophobicContact CD2-CE2 3.61Å; F250-Y277 HydrophobicContact CD2-CG 4.15Å; F250-Y277 HydrophobicContact CE1-CD2 4.3Å; F250-Y277 HydrophobicContact CE1-CE2 4.22Å; F250-Y277 AromaticContact CE2-CD2 3.57Å; F250-Y277 HydrophobicContact CE2-CD2 3.57Å; F250-Y277 HydrophobicContact CE2-CE2 4.17Å; F250-Y277 AromaticContact CE2-CG 3.94Å; F250-Y277 HydrophobicContact CE2-CG 3.94Å; F250-Y277 AromaticContact CG-CD2 3.58Å; F250-Y277 HydrophobicContact CG-CD2 3.58Å; F250-Y277 AromaticContact CG-CE2 3.33Å; F250-Y277 HydrophobicContact CG-CE2 3.33Å; F250-Y277 HydrophobicContact CZ-CD2 4.06Å; F250-Y277 HydrophobicContact CZ-CE2 4.44Å; F250-Y277 HydrophobicContact CZ-CG 4.17Å; F250-F280 HydrophobicContact CB-CE1 4.45Å; F250-Y288 HydrophobicContact CB-CG 4.48Å; F250-Y288 AromaticContact CD2-CD1 3.74Å; F250-Y288 HydrophobicContact CD2-CD1 3.74Å; F250-Y288 AromaticContact CD2-CD2 3.97Å; F250-Y288 HydrophobicContact CD2-CD2 3.97Å; F250-Y288 AromaticContact CD2-CE1 3.66Å; F250-Y288 HydrophobicContact CD2-CE1 3.66Å; F250-Y288 AromaticContact CD2-CE2 3.9Å; F250-Y288 HydrophobicContact CD2-CE2 3.9Å; F250-Y288 AromaticContact CD2-CG 3.89Å; F250-Y288 HydrophobicContact CD2-CG 3.89Å; F250-Y288 AromaticContact CD2-CZ 3.75Å; F250-Y288 HydrophobicContact CE2-CD1 4.39Å; F250-Y288 AromaticContact CE2-CE1 3.85Å; F250-Y288 HydrophobicContact CE2-CE1 3.85Å; F250-Y288 HydrophobicContact CE2-CE2 4.22Å; F250-Y288 AromaticContact CE2-CZ 3.76Å |
| 251 | I | 92.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 179.5 | -66.2 | 171.4 | 0 | 0 | 0 | 110.4 | F207 T247 Y248 S249 E253 T254 A255 | F207-I251 HydrophobicContact CD1-CD1 3.92Å; F207-I251 HydrophobicContact CE1-CD1 3.15Å; F207-I251 HydrophobicContact CE2-CD1 3.88Å; F207-I251 HydrophobicContact CZ-CD1 3.15Å; T247-I251 HydrophobicContact CG2-CD1 4.13Å; T247-I251 WeakPolarHBondContact O-CG1 3.49Å; T247-I251 PolarHBondContact O-N 2.87Å; T247-I251 VanDerWaalsContact O-N 3.16Å; Y248-I251 PolarHBondContact O-N 2.94Å; S249-I251 PolarHBondContact O-N 3.27Å; I251-E253 PolarHBondContact O-N 3.29Å; I251-T254 PolarHBondContact O-N 2.82Å; I251-A255 WeakPolarHBondContact O-CB 3.46Å; I251-A255 PolarHBondContact O-N 3.4Å |
| 252 | R | 91.9 | Very high | 90.3 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 32% | 0.317 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -36 | -176.8 | -177.7 | 53.9 | 178.1 | -118.3 | 10 | 113.2 | Y248 S249 P256 Y412 D416 | Y248-R252 HydrophobicContact CD1-CB 4.32Å; Y248-R252 HydrophobicContact CE1-CB 3.98Å; Y248-R252 HydrophobicContact CE1-CG 4.18Å; Y248-R252 VanDerWaalsContact O-CB 3.27Å; Y248-R252 WeakPolarHBondContact O-CB 3.48Å; Y248-R252 PolarHBondContact O-N 2.94Å; S249-R252 PolarHBondContact O-N 2.9Å; R252-P256 WeakPolarHBondContact O-CD 3.17Å; R252-P256 WeakPolarHBondContact O-CG 3.48Å; R252-Y412 HydrophobicContact CB-CD1 4.29Å; R252-Y412 HydrophobicContact CB-CE1 4.18Å; R252-Y412 HydrophobicContact CG-CD1 3.69Å; R252-Y412 HydrophobicContact CG-CE1 3.78Å; R252-D416 IonicContact CZ-OD1 3.19Å; R252-D416 VanDerWaalsContact CZ-OD1 3.28Å; R252-D416 IonicContact CZ-OD2 3.51Å; R252-D416 IonicContact NE-OD1 3.06Å; R252-D416 IonicContact NE-OD2 3.88Å; R252-D416 PolarHBondContact NE-OD2 2.91Å; R252-D416 IonicContact NH1-OD1 3.94Å; R252-D416 IonicContact NH1-OD2 2.92Å; R252-D416 PolarHBondContact NH1-OD2 3.46Å; R252-D416 IonicContact NH2-OD1 2.77Å; R252-D416 PolarHBondContact NH2-OD1 2.85Å; R252-D416 IonicContact NH2-OD2 3.54Å; R252-D416 PolarHBondContact NH2-OD2 3.22Å; R252-D416 VanDerWaalsContact NH2-OD2 3.15Å |
| 253 | E | 90.8 | Very high | 89.1 | Confident | 36 Ų | 36 | 46 Ų | 46 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78.1 | -35.7 | 176.8 | -68 | -69.5 | 148.8 | 0 | 0 | 112.1 | S249 I251 Y288 R289 Y412 | S249-E253 WeakPolarHBondContact O-CB 3.39Å; S249-E253 WeakPolarHBondContact O-CG 3.23Å; S249-E253 PolarHBondContact O-N 3.3Å; I251-E253 PolarHBondContact O-N 3.29Å; E253-Y288 HydrophobicContact CB-CD1 4.09Å; E253-R289 IonicContact OE2-CZ 3.79Å; E253-R289 IonicContact OE2-NH1 2.63Å; E253-R289 PolarHBondContact OE2-NH1 3.04Å; E253-Y412 HydrophobicContact CG-CE1 4.37Å; E253-Y412 WeakPolarHBondContact CG-OH 3.34Å; E253-Y412 VanDerWaalsContact OE1-CE1 3.29Å; E253-Y412 WeakPolarHBondContact OE1-CE1 3.44Å; E253-Y412 PolarHBondContact OE1-OH 3.5Å |
| 254 | T | 89.9 | Confident | 87.8 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -85.8 | -38.2 | -173.6 | -48.8 | 0 | 0 | 0 | 0 | 113 | L183 F250 I251 V257 I258 P272 | L183-T254 HydrophobicContact CD2-CG2 3.53Å; F250-T254 VanDerWaalsContact O-CB 3.26Å; F250-T254 WeakPolarHBondContact O-CB 3.21Å; F250-T254 PolarHBondContact O-N 3.04Å; F250-T254 VanDerWaalsContact O-N 3.08Å; F250-T254 PolarHBondContact O-OG1 3.49Å; I251-T254 PolarHBondContact O-N 2.82Å; T254-V257 WeakPolarHBondContact O-CB 3.34Å; T254-V257 PolarHBondContact O-N 3.46Å; T254-V257 VanDerWaalsContact O-N 3.08Å; T254-I258 HydrophobicContact CG2-CD1 3.91Å; T254-I258 HydrophobicContact CG2-CG1 4.3Å; T254-I258 PolarHBondContact O-N 2.83Å; T254-I258 VanDerWaalsContact O-N 3.16Å; T254-P272 HydrophobicContact CG2-CG 3.68Å |
| 255 | A | 88.4 | Confident | 85.9 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -51.1 | -52.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | W186 I251 V257 I258 L259 | W186-A255 HydrophobicContact CH2-CB 4.09Å; W186-A255 HydrophobicContact CZ3-CB 4.27Å; I251-A255 WeakPolarHBondContact O-CB 3.46Å; I251-A255 PolarHBondContact O-N 3.4Å; A255-V257 PolarHBondContact O-N 2.92Å; A255-I258 PolarHBondContact O-N 2.95Å; A255-I258 VanDerWaalsContact O-N 3.11Å; A255-L259 HydrophobicContact CB-CD1 4.5Å; A255-L259 WeakPolarHBondContact O-CD1 3.39Å; A255-L259 PolarHBondContact O-N 3.47Å |
| 256 | P | 87.5 | Confident | 84.1 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -25.8 | -179.6 | 23.7 | -32.3 | 0 | 0 | 0 | 113.7 | R252 K260 | R252-P256 WeakPolarHBondContact O-CD 3.17Å; R252-P256 WeakPolarHBondContact O-CG 3.48Å; P256-K260 WeakPolarHBondContact O-CB 3.28Å; P256-K260 VanDerWaalsContact O-CG 3.26Å; P256-K260 WeakPolarHBondContact O-CG 3.49Å; P256-K260 PolarHBondContact O-N 3.45Å; P256-K260 VanDerWaalsContact O-N 3.12Å |
| 257 | V | 85.1 | Confident | 82.7 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 174.4 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | T254 A255 K260 N261 | T254-V257 WeakPolarHBondContact O-CB 3.34Å; T254-V257 PolarHBondContact O-N 3.46Å; T254-V257 VanDerWaalsContact O-N 3.08Å; A255-V257 PolarHBondContact O-N 2.92Å; V257-K260 PolarHBondContact O-N 2.94Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.45Å; V257-N261 VanDerWaalsContact O-CB 3.31Å; V257-N261 WeakPolarHBondContact O-CB 3.28Å; V257-N261 PolarHBondContact O-N 2.96Å; V257-N261 PolarHBondContact O-ND2 3.28Å |
| 258 | I | 85.1 | Confident | 81 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.046 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 176.9 | -63.6 | 170.2 | 0 | 0 | 0 | 111.3 | L183 W186 H191 T254 A255 K260 F271 | L183-I258 HydrophobicContact CD1-CD1 4.34Å; L183-I258 HydrophobicContact CD2-CD1 4.27Å; L183-I258 HydrophobicContact CG-CD1 4.02Å; W186-I258 HydrophobicContact CZ3-CB 4.29Å; W186-I258 HydrophobicContact CZ3-CD1 4.12Å; W186-I258 HydrophobicContact CZ3-CG2 4.13Å; H191-I258 PolarHBondContact NE2-O 3.19Å; H191-I258 VanDerWaalsContact NE2-O 3.15Å; T254-I258 HydrophobicContact CG2-CD1 3.91Å; T254-I258 HydrophobicContact CG2-CG1 4.3Å; T254-I258 PolarHBondContact O-N 2.83Å; T254-I258 VanDerWaalsContact O-N 3.16Å; A255-I258 PolarHBondContact O-N 2.95Å; A255-I258 VanDerWaalsContact O-N 3.11Å; I258-K260 PolarHBondContact O-N 3.13Å; I258-F271 HydrophobicContact CD1-CD1 4.15Å; I258-F271 HydrophobicContact CD1-CE1 4.24Å |
| 259 | L | 84.8 | Confident | 79.6 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 40% | 0.403 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.1 | -87.4 | 84.6 | 0 | 0 | 0 | 112.4 | W186 Y190 A255 | W186-L259 HydrophobicContact CH2-CD1 3.4Å; W186-L259 VanDerWaalsContact CH2-CD1 3.4Å; W186-L259 HydrophobicContact CZ2-CD1 3.9Å; Y190-L259 HydrophobicContact CE1-CG 3.99Å; Y190-L259 HydrophobicContact CE2-CG 4.44Å; A255-L259 HydrophobicContact CB-CD1 4.5Å; A255-L259 WeakPolarHBondContact O-CD1 3.39Å; A255-L259 PolarHBondContact O-N 3.47Å |
| 260 | K | 83.1 | Confident | 78.4 | Confident | 172 Ų | 172 | 81.4 Ų | 81.4 | 75% | 0.748 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -78 | -34.9 | -176.2 | -72.9 | 177.1 | -179.4 | -176.7 | 0 | 112.7 | P256 V257 I258 A262 | P256-K260 WeakPolarHBondContact O-CB 3.28Å; P256-K260 VanDerWaalsContact O-CG 3.26Å; P256-K260 WeakPolarHBondContact O-CG 3.49Å; P256-K260 PolarHBondContact O-N 3.45Å; P256-K260 VanDerWaalsContact O-N 3.12Å; V257-K260 PolarHBondContact O-N 2.94Å; I258-K260 PolarHBondContact O-N 3.13Å; K260-A262 PolarHBondContact O-N 3.28Å |
| 261 | N | 79.1 | Confident | 77.6 | Confident | 91 Ų | 91 | 83.5 Ų | 83.5 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | trans | -92.4 | 88.5 | -178 | -64.7 | -28.3 | 0 | 0 | 0 | 110.2 | H191 V257 | H191-N261 PolarHBondContact NE2-O 2.9Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.45Å; V257-N261 VanDerWaalsContact O-CB 3.31Å; V257-N261 WeakPolarHBondContact O-CB 3.28Å; V257-N261 PolarHBondContact O-N 2.96Å; V257-N261 PolarHBondContact O-ND2 3.28Å | ||
| 262 | A | 73.8 | Confident | 77 | Confident | 64 Ų | 64 | 81.8 Ų | 81.8 | 53% | 0.529 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -68 | 132.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K260 K264 | K260-A262 PolarHBondContact O-N 3.28Å; A262-K264 PolarHBondContact O-N 3.3Å |
| 263 | P | 72.1 | Confident | 76.8 | Confident | 52 Ų | 52 | 82 Ų | 82 | 34% | 0.338 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 132.4 | 174.8 | 24.8 | -31.1 | 0 | 0 | 0 | 109.2 | H191 E267 | H191-P263 HydrophobicContact CB-CG 4.41Å; H191-P263 WeakPolarHBondContact CD2-CD 3.38Å; P263-E267 WeakPolarHBondContact CB-O 3.49Å |
| 264 | K | 69.8 | Low | 76.8 | Confident | 150 Ų | 150 | 83.4 Ų | 83.4 | 65% | 0.652 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 154.1 | 169.7 | -65.6 | 179.9 | -178.6 | 174.7 | 0 | 108.9 | A262 G266 E267 | A262-K264 PolarHBondContact O-N 3.3Å; K264-G266 PolarHBondContact O-N 3.26Å; K264-E267 HydrophobicContact CB-CB 4.44Å; K264-E267 HydrophobicContact CB-CG 4.41Å; K264-E267 PolarHBondContact O-N 2.97Å |
| 265 | E | 56 | Low | 76.9 | Confident | 205 Ų | 205 | 86.7 Ų | 86.7 | 96% | 0.958 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 116.9 | 177.3 | -73 | -176 | 166.7 | 0 | 0 | 110.5 | ||
| 266 | G | 60.1 | Low | 77.1 | Confident | 90 Ų | 90 | 86.8 Ų | 86.8 | 93% | 0.928 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -3.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | K264 | K264-G266 PolarHBondContact O-N 3.26Š|
| 267 | E | 65.5 | Low | 77.4 | Confident | 120 Ų | 120 | 84.2 Ų | 84.2 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -99.8 | 134.5 | 175.2 | -73.2 | -177.4 | 172.6 | 0 | 0 | 111.9 | P263 K264 | P263-E267 WeakPolarHBondContact CB-O 3.49Å; K264-E267 HydrophobicContact CB-CB 4.44Å; K264-E267 HydrophobicContact CB-CG 4.41Å; K264-E267 PolarHBondContact O-N 2.97Å |
| 268 | N | 61.3 | Low | 77.9 | Confident | 152 Ų | 152 | 84.1 Ų | 84.1 | 81% | 0.813 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -68 | 144.5 | 172.6 | -73 | -32.5 | 0 | 0 | 0 | 110.7 | R270 | N268-R270 PolarHBondContact O-N 2.92Š|
| 269 | P | 65.2 | Low | 78.4 | Confident | 42 Ų | 42 | 85.2 Ų | 85.2 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 134.5 | 175.7 | 0.5 | 3.2 | 0 | 0 | 0 | 110.6 | F271 | P269-F271 HydrophobicContact CB-CD2 4.37Å; P269-F271 HydrophobicContact CB-CE1 4.37Å; P269-F271 HydrophobicContact CB-CE2 3.63Å; P269-F271 HydrophobicContact CB-CZ 3.63Å; P269-F271 HydrophobicContact CG-CE2 3.67Å; P269-F271 HydrophobicContact CG-CZ 3.78Å; P269-F271 WeakPolarHBondContact O-CD2 3.44Å; P269-F271 PolarHBondContact O-N 3.48Å |
| 270 | R | 69.8 | Low | 78.9 | Confident | 181 Ų | 181 | 81.5 Ų | 81.5 | 68% | 0.683 | 44% | 0.436 | S | S | * | . | trans | -80.1 | 103.6 | -179.7 | -173.6 | 175.8 | 172 | 174.2 | -2.8 | 109.9 | N268 E290 | N268-R270 PolarHBondContact O-N 2.92Å; R270-E290 IonicContact NH2-OE2 3.79Å | ||
| 271 | F | 77 | Confident | 79.5 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 20% | 0.202 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -96 | 153.5 | 173.8 | -61.2 | -70.4 | 0 | 0 | 0 | 111.7 | E184 I258 P269 | E184-F271 HydrophobicContact CG-CD2 4.29Å; E184-F271 HydrophobicContact CG-CE2 4.27Å; E184-F271 HydrophobicContact CG-CG 4.41Å; E184-F271 HydrophobicContact CG-CZ 4.38Å; I258-F271 HydrophobicContact CD1-CD1 4.15Å; I258-F271 HydrophobicContact CD1-CE1 4.24Å; P269-F271 HydrophobicContact CB-CD2 4.37Å; P269-F271 HydrophobicContact CB-CE1 4.37Å; P269-F271 HydrophobicContact CB-CE2 3.63Å; P269-F271 HydrophobicContact CB-CZ 3.63Å; P269-F271 HydrophobicContact CG-CE2 3.67Å; P269-F271 HydrophobicContact CG-CZ 3.78Å; P269-F271 WeakPolarHBondContact O-CD2 3.44Å; P269-F271 PolarHBondContact O-N 3.48Å |
| 272 | P | 81.2 | Confident | 80.3 | Confident | 5 Ų | 5 | 72.1 Ų | 72.1 | 3% | 0.032 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 140.7 | 171.3 | 27.5 | -35.7 | 0 | 0 | 0 | 110.4 | Y180 F250 T254 F274 Y288 | Y180-P272 WeakPolarHBondContact CE2-O 3.3Å; Y180-P272 PolarHBondContact OH-O 3.49Å; F250-P272 HydrophobicContact CE2-CB 4.28Å; F250-P272 HydrophobicContact CE2-CG 3.83Å; F250-P272 HydrophobicContact CZ-CG 3.84Å; T254-P272 HydrophobicContact CG2-CG 3.68Å; P272-F274 PolarHBondContact O-N 2.81Å; P272-Y288 HydrophobicContact CB-CE1 4.46Å; P272-Y288 VanDerWaalsContact CB-OH 3.23Å; P272-Y288 WeakPolarHBondContact CB-OH 3.29Å |
| 273 | T | 87.3 | Confident | 81.3 | Confident | 90 Ų | 90 | 69.2 Ų | 69.2 | 55% | 0.552 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 131.8 | 177.3 | -47 | 0 | 0 | 0 | 0 | 111 | S275 S276 Y277 | T273-S275 PolarHBondContact O-N 2.79Å; T273-S275 VanDerWaalsContact O-N 3.14Å; T273-S276 WeakPolarHBondContact O-CB 3.47Å; T273-S276 PolarHBondContact O-N 3.4Å; T273-Y277 PolarHBondContact O-N 3.24Å |
| 274 | F | 90.3 | Very high | 82.4 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 28% | 0.281 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -50.5 | -38.9 | 174.9 | -178.1 | -103.2 | 0 | 0 | 0 | 113.1 | L176 F177 Y180 P272 S276 Y277 L278 | L176-F274 HydrophobicContact CD1-CE1 4.47Å; L176-F274 HydrophobicContact CD1-CE2 3.72Å; L176-F274 HydrophobicContact CD1-CZ 3.57Å; L176-F274 HydrophobicContact CD2-CZ 4Å; L176-F274 HydrophobicContact CG-CE2 3.99Å; L176-F274 HydrophobicContact CG-CZ 3.74Å; F177-F274 HydrophobicContact CD1-CE2 4.26Å; F177-F274 HydrophobicContact CD1-CZ 4.33Å; F177-F274 HydrophobicContact CE1-CE2 4.28Å; F177-F274 AromaticContact CE1-CZ 3.9Å; F177-F274 HydrophobicContact CE1-CZ 3.9Å; Y180-F274 HydrophobicContact CD1-CD2 4.01Å; Y180-F274 HydrophobicContact CD2-CD2 4.08Å; Y180-F274 HydrophobicContact CE1-CB 4.41Å; Y180-F274 HydrophobicContact CE1-CD2 4.1Å; Y180-F274 HydrophobicContact CE2-CB 3.98Å; Y180-F274 HydrophobicContact CE2-CD2 4.15Å; Y180-F274 HydrophobicContact CG-CD2 4.01Å; P272-F274 PolarHBondContact O-N 2.81Å; F274-S276 VanDerWaalsContact C-N 3.35Å; F274-S276 PolarHBondContact O-N 3.45Å; F274-Y277 PolarHBondContact O-N 2.92Å; F274-L278 WeakPolarHBondContact O-CB 3.33Å; F274-L278 PolarHBondContact O-N 3.35Å |
| 275 | S | 91.9 | Very high | 83.6 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 176 | -174.9 | 0 | 0 | 0 | 0 | 113.1 | T273 Y279 | T273-S275 PolarHBondContact O-N 2.79Å; T273-S275 VanDerWaalsContact O-N 3.14Å; S275-Y279 VanDerWaalsContact O-CB 3.28Å; S275-Y279 WeakPolarHBondContact O-CB 3.44Å; S275-Y279 PolarHBondContact O-N 3.25Å |
| 276 | S | 92.4 | Very high | 85.6 | Confident | 20 Ų | 20 | 51 Ų | 51 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | T273 F274 F280 E290 | T273-S276 WeakPolarHBondContact O-CB 3.47Å; T273-S276 PolarHBondContact O-N 3.4Å; F274-S276 VanDerWaalsContact C-N 3.35Å; F274-S276 PolarHBondContact O-N 3.45Å; S276-F280 WeakPolarHBondContact O-CB 3.39Å; S276-F280 PolarHBondContact O-N 3.09Å; S276-E290 PolarHBondContact OG-O 3.44Å |
| 277 | Y | 94 | Very high | 87.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -48.3 | 174.7 | -177.4 | -125.6 | 0 | 0 | 0 | 112.2 | T175 L176 Y180 F250 T273 F274 Y279 F280 L281 | T175-Y277 WeakPolarHBondContact O-CE1 3.21Å; T175-Y277 PolarHBondContact O-OH 2.71Å; L176-Y277 HydrophobicContact CD1-CD1 4.42Å; L176-Y277 WeakPolarHBondContact O-CE1 3.35Å; Y180-Y277 HydrophobicContact CD2-CD1 4.19Å; F250-Y277 HydrophobicContact CB-CD2 4.19Å; F250-Y277 HydrophobicContact CB-CE2 3.62Å; F250-Y277 HydrophobicContact CD1-CD2 4.08Å; F250-Y277 AromaticContact CD1-CE2 3.67Å; F250-Y277 HydrophobicContact CD1-CE2 3.67Å; F250-Y277 AromaticContact CD1-CZ 3.99Å; F250-Y277 AromaticContact CD2-CD2 3.3Å; F250-Y277 HydrophobicContact CD2-CD2 3.3Å; F250-Y277 AromaticContact CD2-CE2 3.61Å; F250-Y277 HydrophobicContact CD2-CE2 3.61Å; F250-Y277 HydrophobicContact CD2-CG 4.15Å; F250-Y277 HydrophobicContact CE1-CD2 4.3Å; F250-Y277 HydrophobicContact CE1-CE2 4.22Å; F250-Y277 AromaticContact CE2-CD2 3.57Å; F250-Y277 HydrophobicContact CE2-CD2 3.57Å; F250-Y277 HydrophobicContact CE2-CE2 4.17Å; F250-Y277 AromaticContact CE2-CG 3.94Å; F250-Y277 HydrophobicContact CE2-CG 3.94Å; F250-Y277 AromaticContact CG-CD2 3.58Å; F250-Y277 HydrophobicContact CG-CD2 3.58Å; F250-Y277 AromaticContact CG-CE2 3.33Å; F250-Y277 HydrophobicContact CG-CE2 3.33Å; F250-Y277 HydrophobicContact CZ-CD2 4.06Å; F250-Y277 HydrophobicContact CZ-CE2 4.44Å; F250-Y277 HydrophobicContact CZ-CG 4.17Å; T273-Y277 PolarHBondContact O-N 3.24Å; F274-Y277 PolarHBondContact O-N 2.92Å; Y277-Y279 VanDerWaalsContact C-N 3.3Å; Y277-Y279 PolarHBondContact O-N 2.9Å; Y277-F280 HydrophobicContact CD2-CD1 4.12Å; Y277-F280 HydrophobicContact CE2-CD1 4.14Å; Y277-F280 WeakPolarHBondContact O-CB 3.35Å; Y277-F280 PolarHBondContact O-N 2.8Å; Y277-F280 VanDerWaalsContact O-N 3.09Å; Y277-L281 HydrophobicContact CE1-CD1 4.1Å; Y277-L281 HydrophobicContact CE1-CG 4.45Å; Y277-L281 HydrophobicContact CE2-CD2 3.98Å; Y277-L281 HydrophobicContact CE2-CG 4.28Å; Y277-L281 PolarHBondContact O-N 3.45Å |
| 278 | L | 95.6 | Very high | 88.6 | Confident | 59 Ų | 59 | 41.5 Ų | 41.5 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.4 | -43.6 | 175.4 | 177.3 | 62.6 | 0 | 0 | 0 | 111.4 | F172 L176 F274 L281 F282 | F172-L278 HydrophobicContact CZ-CD1 4.01Å; L176-L278 HydrophobicContact CD1-CB 4.14Å; L176-L278 HydrophobicContact CD1-CD1 3.67Å; L176-L278 HydrophobicContact CD1-CG 4.47Å; L176-L278 HydrophobicContact CD2-CD1 4.14Å; F274-L278 WeakPolarHBondContact O-CB 3.33Å; F274-L278 PolarHBondContact O-N 3.35Å; L278-L281 PolarHBondContact O-N 3.21Å; L278-F282 HydrophobicContact CD1-CD2 4.49Å; L278-F282 HydrophobicContact CD1-CE2 3.97Å; L278-F282 WeakPolarHBondContact O-CD2 3.33Å |
| 279 | Y | 95.8 | Very high | 90 | Very high | 31 Ų | 31 | 37.3 Ų | 37.3 | 12% | 0.122 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 174.4 | -179.6 | -103.5 | 0 | 0 | 0 | 111.5 | S275 Y277 L281 F282 C283 Y292 L377 | S275-Y279 VanDerWaalsContact O-CB 3.28Å; S275-Y279 WeakPolarHBondContact O-CB 3.44Å; S275-Y279 PolarHBondContact O-N 3.25Å; Y277-Y279 VanDerWaalsContact C-N 3.3Å; Y277-Y279 PolarHBondContact O-N 2.9Å; Y279-L281 VanDerWaalsContact C-N 3.3Å; Y279-L281 PolarHBondContact O-N 3.3Å; Y279-F282 PolarHBondContact O-N 3.49Å; Y279-C283 WeakPolarHBondContact CD1-SG 3.1Å; Y279-C283 WeakPolarHBondContact CE1-SG 3.24Å; Y279-C283 VanDerWaalsContact CZ-SG 3.56Å; Y279-C283 PolarHBondContact O-N 3.06Å; Y279-C283 VanDerWaalsContact O-N 3.08Å; Y279-C283 PolarHBondContact O-SG 2.89Å; Y279-Y292 HydrophobicContact CD1-CD2 4.05Å; Y279-Y292 HydrophobicContact CD1-CE2 4.48Å; Y279-Y292 AromaticContact CE1-CD2 3.82Å; Y279-Y292 HydrophobicContact CE1-CD2 3.82Å; Y279-Y292 HydrophobicContact CE1-CG 4.49Å; Y279-L377 HydrophobicContact CE2-CB 3.96Å; Y279-L377 HydrophobicContact CE2-CD2 4.37Å; Y279-L377 VanDerWaalsContact CE2-O 3.3Å; Y279-L377 WeakPolarHBondContact CE2-O 3.16Å; Y279-L377 PolarHBondContact OH-O 2.78Å |
| 280 | F | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.1 | -38.4 | 176.7 | 165.9 | -113.9 | 0 | 0 | 0 | 113 | K246 F250 S276 Y277 F282 C283 T285 Y288 Y292 | K246-F280 HydrophobicContact CB-CE1 3.74Å; K246-F280 HydrophobicContact CB-CZ 3.96Å; K246-F280 HydrophobicContact CD-CE1 4.16Å; K246-F280 HydrophobicContact CD-CZ 4.14Å; K246-F280 HydrophobicContact CG-CE1 4Å; K246-F280 HydrophobicContact CG-CZ 3.8Å; K246-F280 PolarHBondContact NZ-O 3.05Å; K246-F280 WeakPolarHBondContact O-CE1 3.37Å; F250-F280 HydrophobicContact CB-CE1 4.45Å; S276-F280 WeakPolarHBondContact O-CB 3.39Å; S276-F280 PolarHBondContact O-N 3.09Å; Y277-F280 HydrophobicContact CD2-CD1 4.12Å; Y277-F280 HydrophobicContact CE2-CD1 4.14Å; Y277-F280 WeakPolarHBondContact O-CB 3.35Å; Y277-F280 PolarHBondContact O-N 2.8Å; Y277-F280 VanDerWaalsContact O-N 3.09Å; F280-F282 PolarHBondContact O-N 3.06Å; F280-C283 PolarHBondContact O-N 3.11Å; F280-C283 VanDerWaalsContact O-N 3.12Å; F280-T285 HydrophobicContact CD2-CG2 4.41Å; F280-T285 HydrophobicContact CE2-CG2 4.39Å; F280-Y288 HydrophobicContact CB-CD2 3.75Å; F280-Y288 HydrophobicContact CB-CE2 4.04Å; F280-Y288 AromaticContact CD1-CD2 3.62Å; F280-Y288 HydrophobicContact CD1-CD2 3.62Å; F280-Y288 HydrophobicContact CD1-CE2 4.45Å; F280-Y288 HydrophobicContact CD1-CG 4.37Å; F280-Y288 HydrophobicContact CD2-CD2 4.12Å; F280-Y288 HydrophobicContact CE1-CD2 4.18Å; F280-Y288 AromaticContact CG-CD2 3.56Å; F280-Y288 HydrophobicContact CG-CD2 3.56Å; F280-Y288 HydrophobicContact CG-CE2 4.33Å; F280-Y292 HydrophobicContact CB-CE2 4.49Å; F280-Y292 WeakPolarHBondContact CD2-OH 3.47Å |
| 281 | L | 95.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -29.4 | 179.7 | -70.2 | -178 | 0 | 0 | 0 | 113.1 | F172 T175 L176 R242 K246 Y277 L278 Y279 | F172-L281 HydrophobicContact CE2-CB 4.47Å; F172-L281 HydrophobicContact CE2-CD1 4.15Å; T175-L281 HydrophobicContact CG2-CD1 4.38Å; T175-L281 HydrophobicContact CG2-CD2 3.76Å; L176-L281 HydrophobicContact CB-CD1 4.15Å; L176-L281 HydrophobicContact CD1-CD1 3.82Å; R242-L281 PolarHBondContact NH1-O 3.34Å; K246-L281 HydrophobicContact CB-CD2 4.3Å; K246-L281 HydrophobicContact CD-CD2 4.29Å; K246-L281 PolarHBondContact NZ-O 3.44Å; Y277-L281 HydrophobicContact CE1-CD1 4.1Å; Y277-L281 HydrophobicContact CE1-CG 4.45Å; Y277-L281 HydrophobicContact CE2-CD2 3.98Å; Y277-L281 HydrophobicContact CE2-CG 4.28Å; Y277-L281 PolarHBondContact O-N 3.45Å; L278-L281 PolarHBondContact O-N 3.21Å; Y279-L281 VanDerWaalsContact C-N 3.3Å; Y279-L281 PolarHBondContact O-N 3.3Å |
| 282 | F | 95.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 36.2 Ų | 36.2 | 28% | 0.281 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -95.2 | -20.6 | 175.1 | -67.2 | -77.7 | 0 | 0 | 0 | 114 | W168 F172 L278 Y279 F280 L377 | W168-F282 HydrophobicContact CH2-CE1 4.4Å; W168-F282 HydrophobicContact CZ2-CE1 4.46Å; F172-F282 HydrophobicContact CD2-CZ 4.37Å; F172-F282 HydrophobicContact CE1-CZ 4.4Å; F172-F282 HydrophobicContact CE2-CE1 4.35Å; F172-F282 AromaticContact CE2-CE2 3.68Å; F172-F282 HydrophobicContact CE2-CE2 3.68Å; F172-F282 AromaticContact CE2-CZ 3.48Å; F172-F282 HydrophobicContact CE2-CZ 3.48Å; F172-F282 VanDerWaalsContact CE2-CZ 3.48Å; F172-F282 AromaticContact CZ-CE2 3.6Å; F172-F282 HydrophobicContact CZ-CE2 3.6Å; F172-F282 AromaticContact CZ-CZ 3.51Å; F172-F282 HydrophobicContact CZ-CZ 3.51Å; L278-F282 HydrophobicContact CD1-CD2 4.49Å; L278-F282 HydrophobicContact CD1-CE2 3.97Å; L278-F282 WeakPolarHBondContact O-CD2 3.33Å; Y279-F282 PolarHBondContact O-N 3.49Å; F280-F282 PolarHBondContact O-N 3.06Å; F282-L377 HydrophobicContact CB-CD1 3.72Å; F282-L377 HydrophobicContact CB-CD2 4.03Å; F282-L377 WeakPolarHBondContact O-CD1 3.5Å |
| 283 | C | 95.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -57.5 | 142.7 | -179.5 | -76.5 | 0 | 0 | 0 | 0 | 113.4 | K246 Y279 F280 T285 | K246-C283 PolarHBondContact NZ-O 2.93Å; Y279-C283 WeakPolarHBondContact CD1-SG 3.1Å; Y279-C283 WeakPolarHBondContact CE1-SG 3.24Å; Y279-C283 VanDerWaalsContact CZ-SG 3.56Å; Y279-C283 PolarHBondContact O-N 3.06Å; Y279-C283 VanDerWaalsContact O-N 3.08Å; Y279-C283 PolarHBondContact O-SG 2.89Å; F280-C283 PolarHBondContact O-N 3.11Å; F280-C283 VanDerWaalsContact O-N 3.12Å; C283-T285 HydrophobicContact CB-CG2 4.01Å; C283-T285 PolarHBondContact O-N 3.08Å |
| 284 | P | 95.2 | Very high | 93.4 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -77.6 | 44 | 176.9 | 34.4 | -37.2 | 0 | 0 | 0 | 112.5 | L370 F379 F384 | P284-L370 HydrophobicContact CB-CB 4.09Å; P284-L370 HydrophobicContact CB-CD2 3.82Å; P284-L370 HydrophobicContact CB-CG 4.47Å; P284-F379 HydrophobicContact CG-CD1 3.64Å; P284-F379 HydrophobicContact CG-CE1 4.07Å; P284-F379 HydrophobicContact CG-CG 4.42Å; P284-F384 HydrophobicContact CB-CE1 3.74Å; P284-F384 HydrophobicContact CB-CZ 3.85Å; P284-F384 HydrophobicContact CG-CE1 3.72Å; P284-F384 HydrophobicContact CG-CZ 3.59Å; P284-F384 VanDerWaalsContact O-CE1 3.27Å; P284-F384 WeakPolarHBondContact O-CE1 3.29Å |
| 285 | T | 95.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | trans | -139.6 | 153.1 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | F102 K246 F280 C283 I287 Y292 F379 | F102-T285 HydrophobicContact CE1-CG2 4.34Å; F102-T285 HydrophobicContact CZ-CG2 4.47Å; K246-T285 VanDerWaalsContact CE-O 3.27Å; K246-T285 WeakPolarHBondContact CE-O 3.44Å; F280-T285 HydrophobicContact CD2-CG2 4.41Å; F280-T285 HydrophobicContact CE2-CG2 4.39Å; C283-T285 HydrophobicContact CB-CG2 4.01Å; C283-T285 PolarHBondContact O-N 3.08Å; T285-I287 PolarHBondContact OG1-N 2.93Å; T285-Y292 HydrophobicContact CG2-CE1 3.91Å; T285-F379 HydrophobicContact CG2-CE2 4.48Å; T285-F379 HydrophobicContact CG2-CZ 4.17Å | ||
| 286 | L | 96.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -105.4 | -0 | 177.8 | -64.8 | 174.4 | 0 | 0 | 0 | 112.9 | R242 M245 K246 S249 V404 V405 W408 | R242-L286 HydrophobicContact CG-CD2 4.42Å; M245-L286 HydrophobicContact CB-CD1 4.48Å; M245-L286 HydrophobicContact CB-CD2 4.16Å; M245-L286 HydrophobicContact CE-CD1 3.53Å; M245-L286 HydrophobicContact SD-CD1 3.86Å; K246-L286 HydrophobicContact CG-CD2 3.78Å; S249-L286 WeakPolarHBondContact CB-O 3.11Å; S249-L286 PolarHBondContact OG-O 3.14Å; L286-V404 HydrophobicContact CB-CG1 4.2Å; L286-V404 HydrophobicContact CD1-CG1 3.88Å; L286-V404 HydrophobicContact CG-CG1 3.64Å; L286-V405 HydrophobicContact CD1-CG2 3.99Å; L286-W408 HydrophobicContact CB-CB 4.03Å; L286-W408 HydrophobicContact CB-CG 4.15Å; L286-W408 HydrophobicContact CD1-CB 4.28Å |
| 287 | I | 94.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -104.4 | 118.4 | 177.7 | -65 | 174.2 | 0 | 0 | 0 | 109.4 | K100 F102 S249 T285 Y292 D407 Y411 Y412 | K100-I287 HydrophobicContact CB-CD1 4.07Å; K100-I287 HydrophobicContact CD-CD1 3.88Å; F102-I287 HydrophobicContact CE2-CG2 4.37Å; F102-I287 HydrophobicContact CZ-CB 4.15Å; F102-I287 HydrophobicContact CZ-CG2 4.32Å; S249-I287 WeakPolarHBondContact OG-CA 3.34Å; T285-I287 PolarHBondContact OG1-N 2.93Å; I287-Y292 PolarHBondContact O-OH 3.09Å; I287-D407 HydrophobicContact CD1-CB 3.74Å; I287-Y411 HydrophobicContact CD1-CD2 3.58Å; I287-Y411 HydrophobicContact CD1-CE2 4.06Å; I287-Y411 HydrophobicContact CD1-CG 4.45Å; I287-Y412 HydrophobicContact CG1-CE2 4.19Å |
| 288 | Y | 94.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | trans | -72.9 | 134.1 | 178.1 | -179.4 | -110.9 | 0 | 0 | 0 | 112 | S249 F250 E253 P272 F280 Y292 | S249-Y288 PolarHBondContact OG-N 2.51Å; F250-Y288 HydrophobicContact CB-CG 4.48Å; F250-Y288 AromaticContact CD2-CD1 3.74Å; F250-Y288 HydrophobicContact CD2-CD1 3.74Å; F250-Y288 AromaticContact CD2-CD2 3.97Å; F250-Y288 HydrophobicContact CD2-CD2 3.97Å; F250-Y288 AromaticContact CD2-CE1 3.66Å; F250-Y288 HydrophobicContact CD2-CE1 3.66Å; F250-Y288 AromaticContact CD2-CE2 3.9Å; F250-Y288 HydrophobicContact CD2-CE2 3.9Å; F250-Y288 AromaticContact CD2-CG 3.89Å; F250-Y288 HydrophobicContact CD2-CG 3.89Å; F250-Y288 AromaticContact CD2-CZ 3.75Å; F250-Y288 HydrophobicContact CE2-CD1 4.39Å; F250-Y288 AromaticContact CE2-CE1 3.85Å; F250-Y288 HydrophobicContact CE2-CE1 3.85Å; F250-Y288 HydrophobicContact CE2-CE2 4.22Å; F250-Y288 AromaticContact CE2-CZ 3.76Å; E253-Y288 HydrophobicContact CB-CD1 4.09Å; P272-Y288 HydrophobicContact CB-CE1 4.46Å; P272-Y288 VanDerWaalsContact CB-OH 3.23Å; P272-Y288 WeakPolarHBondContact CB-OH 3.29Å; F280-Y288 HydrophobicContact CB-CD2 3.75Å; F280-Y288 HydrophobicContact CB-CE2 4.04Å; F280-Y288 AromaticContact CD1-CD2 3.62Å; F280-Y288 HydrophobicContact CD1-CD2 3.62Å; F280-Y288 HydrophobicContact CD1-CE2 4.45Å; F280-Y288 HydrophobicContact CD1-CG 4.37Å; F280-Y288 HydrophobicContact CD2-CD2 4.12Å; F280-Y288 HydrophobicContact CE1-CD2 4.18Å; F280-Y288 AromaticContact CG-CD2 3.56Å; F280-Y288 HydrophobicContact CG-CD2 3.56Å; F280-Y288 HydrophobicContact CG-CE2 4.33Å; Y288-Y292 VanDerWaalsContact CA-OH 3.3Å; Y288-Y292 WeakPolarHBondContact CA-OH 3.49Å | ||
| 289 | R | 90.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | trans | -144.3 | 149.1 | 168.6 | -64.3 | -63.3 | -167.4 | -165.7 | 10.7 | 108.4 | G99 K100 F102 E253 F291 Y292 | G99-R289 VanDerWaalsContact CA-NH2 3.32Å; K100-R289 PolarHBondContact O-NE 2.97Å; K100-R289 PolarHBondContact O-NH2 3.32Å; F102-R289 HydrophobicContact CD2-CG 3.91Å; F102-R289 HydrophobicContact CE2-CG 3.49Å; F102-R289 VanDerWaalsContact CE2-CG 3.49Å; E253-R289 IonicContact OE2-CZ 3.79Å; E253-R289 IonicContact OE2-NH1 2.63Å; E253-R289 PolarHBondContact OE2-NH1 3.04Å; R289-F291 VanDerWaalsContact C-N 3.3Å; R289-F291 PolarHBondContact O-N 3.38Å; R289-Y292 HydrophobicContact CB-CD1 4.33Å; R289-Y292 HydrophobicContact CB-CE1 3.83Å; R289-Y292 HydrophobicContact CB-CE2 4.44Å; R289-Y292 HydrophobicContact CG-CE1 4.17Å; R289-Y292 PolarHBondContact N-OH 2.87Å; R289-Y292 WeakPolarHBondContact O-CE2 3.21Å | ||
| 290 | E | 85.2 | Confident | 93.7 | Very high | 60 Ų | 60 | 63.8 Ų | 63.8 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -66.1 | -34.8 | 175.7 | -68.9 | -172.4 | 177.1 | 0 | 0 | 112.4 | R270 S276 | R270-E290 IonicContact NH2-OE2 3.79Å; S276-E290 PolarHBondContact OG-O 3.44Å |
| 291 | F | 87.8 | Confident | 93.7 | Very high | 165 Ų | 165 | 72.2 Ų | 72.2 | 72% | 0.724 | 31% | 0.306 | S | S | * | . | trans | -127.4 | 132.8 | -177.7 | -59 | -80.3 | 0 | 0 | 0 | 110.8 | R289 | R289-F291 VanDerWaalsContact C-N 3.3Å; R289-F291 PolarHBondContact O-N 3.38Å | ||
| 292 | Y | 92.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 74.1 Ų | 74.1 | 8% | 0.078 | 31% | 0.313 | C | S | . | . | trans | -120.5 | 148.2 | 174.2 | -65.1 | -75.5 | 0 | 0 | 0 | 109.7 | F102 Y279 F280 T285 I287 Y288 R289 R294 F379 | F102-Y292 HydrophobicContact CD1-CD1 4.23Å; F102-Y292 HydrophobicContact CD1-CE1 4.46Å; F102-Y292 HydrophobicContact CD2-CD1 4.07Å; F102-Y292 HydrophobicContact CD2-CE1 4.13Å; F102-Y292 HydrophobicContact CE1-CD1 4.36Å; F102-Y292 HydrophobicContact CE1-CE1 4.14Å; F102-Y292 HydrophobicContact CE2-CD1 4.21Å; F102-Y292 AromaticContact CE2-CE1 3.8Å; F102-Y292 HydrophobicContact CE2-CE1 3.8Å; F102-Y292 HydrophobicContact CG-CD1 4.09Å; F102-Y292 HydrophobicContact CG-CE1 4.46Å; F102-Y292 HydrophobicContact CZ-CD1 4.34Å; F102-Y292 AromaticContact CZ-CE1 3.79Å; F102-Y292 HydrophobicContact CZ-CE1 3.79Å; Y279-Y292 HydrophobicContact CD1-CD2 4.05Å; Y279-Y292 HydrophobicContact CD1-CE2 4.48Å; Y279-Y292 AromaticContact CE1-CD2 3.82Å; Y279-Y292 HydrophobicContact CE1-CD2 3.82Å; Y279-Y292 HydrophobicContact CE1-CG 4.49Å; F280-Y292 HydrophobicContact CB-CE2 4.49Å; F280-Y292 WeakPolarHBondContact CD2-OH 3.47Å; T285-Y292 HydrophobicContact CG2-CE1 3.91Å; I287-Y292 PolarHBondContact O-OH 3.09Å; Y288-Y292 VanDerWaalsContact CA-OH 3.3Å; Y288-Y292 WeakPolarHBondContact CA-OH 3.49Å; R289-Y292 HydrophobicContact CB-CD1 4.33Å; R289-Y292 HydrophobicContact CB-CE1 3.83Å; R289-Y292 HydrophobicContact CB-CE2 4.44Å; R289-Y292 HydrophobicContact CG-CE1 4.17Å; R289-Y292 PolarHBondContact N-OH 2.87Å; R289-Y292 WeakPolarHBondContact O-CE2 3.21Å; Y292-R294 PolarHBondContact O-N 3.46Å; Y292-F379 HydrophobicContact CD1-CD2 4.42Å; Y292-F379 AromaticContact CD1-CE2 3.57Å; Y292-F379 HydrophobicContact CD1-CE2 3.57Å; Y292-F379 HydrophobicContact CD1-CZ 4.44Å; Y292-F379 HydrophobicContact CE1-CE2 4.27Å; Y292-F379 HydrophobicContact CG-CD2 4.25Å; Y292-F379 AromaticContact CG-CE2 3.84Å; Y292-F379 HydrophobicContact CG-CE2 3.84Å | ||
| 293 | P | 93.3 | Very high | 93.6 | Very high | 34 Ų | 34 | 71.7 Ų | 71.7 | 22% | 0.221 | 30% | 0.304 | C | S | . | . | trans | -62.9 | 133.2 | 172 | 29.8 | -35.5 | 0 | 0 | 0 | 109 | F102 A380 D381 | F102-P293 VanDerWaalsContact CB-CD 3.47Å; F102-P293 HydrophobicContact CB-CG 3.82Å; P293-A380 HydrophobicContact CB-CB 3.95Å; P293-A380 HydrophobicContact CG-CB 4.23Å; P293-A380 VanDerWaalsContact O-CB 3.24Å; P293-A380 WeakPolarHBondContact O-CB 3.38Å; P293-A380 PolarHBondContact O-N 3.36Å; P293-D381 HydrophobicContact CG-CB 4.36Å | ||
| 294 | R | 93.1 | Very high | 93.7 | Very high | 133 Ų | 133 | 74.6 Ų | 74.6 | 50% | 0.502 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -121.7 | 138.9 | -174.6 | -73.7 | -178.6 | 175.4 | 171.9 | 0.8 | 112.5 | Y292 R378 | Y292-R294 PolarHBondContact O-N 3.46Å; R294-R378 CarbonylContact C-O 3.52Å; R294-R378 WeakPolarHBondContact CA-O 3.47Å |
| 295 | N | 92.5 | Very high | 93.7 | Very high | 26 Ų | 26 | 77.8 Ų | 77.8 | 14% | 0.139 | 35% | 0.347 | C | S | . | . | trans | -71.9 | 148.8 | 172.4 | -71 | -6.2 | 0 | 0 | 0 | 110.9 | R378 A380 R382 | N295-R378 HydrophobicContact CB-CB 4.31Å; N295-R378 PolarHBondContact N-O 3.45Å; N295-A380 WeakPolarHBondContact OD1-CA 3.37Å; N295-A380 WeakPolarHBondContact OD1-CB 3.43Å; N295-R382 PolarHBondContact ND2-NH2 3.36Å | ||
| 296 | R | 92.6 | Very high | 93.8 | Very high | 246 Ų | 246 | 77.6 Ų | 77.6 | 93% | 0.928 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -64.9 | -41.5 | -179.2 | -66.7 | -177.4 | 176.4 | -179.6 | -1.9 | 113.3 | ||
| 297 | Q | 93.5 | Very high | 93.8 | Very high | 146 Ų | 146 | 80.5 Ų | 80.5 | 68% | 0.682 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -143.9 | 156.9 | -174.1 | 59.5 | -178.6 | -10.4 | 0 | 0 | 111.5 | ||
| 298 | I | 95.6 | Very high | 93.8 | Very high | 50 Ų | 50 | 82.4 Ų | 82.4 | 26% | 0.256 | 38% | 0.382 | S | S | . | . | trans | -89.6 | 123.4 | 174.7 | -58.8 | 173.7 | 0 | 0 | 0 | 108.5 | W300 V303 E375 R378 | I298-W300 HydrophobicContact CG2-CD2 4.24Å; I298-W300 HydrophobicContact CG2-CZ2 4.39Å; I298-W300 PolarHBondContact O-N 2.83Å; I298-V303 HydrophobicContact CG2-CG2 4.17Å; I298-E375 HydrophobicContact CG2-CG 4.31Å; I298-R378 HydrophobicContact CD1-CG 4.2Å; I298-R378 HydrophobicContact CG1-CG 3.54Å | ||
| 299 | R | 95.5 | Very high | 93.8 | Very high | 121 Ų | 121 | 83.9 Ų | 83.9 | 46% | 0.457 | 39% | 0.388 | S | S | . | . | trans | -88 | 88.1 | 176.7 | -62.4 | 173.2 | -66.5 | 172.7 | 2.6 | 109.9 | K301 Y302 V303 E375 | R299-K301 PolarHBondContact O-N 3.14Å; R299-Y302 WeakPolarHBondContact O-CA 3.41Å; R299-Y302 WeakPolarHBondContact O-CB 3.47Å; R299-Y302 PolarHBondContact O-N 2.95Å; R299-V303 PolarHBondContact O-N 3.11Å; R299-V303 VanDerWaalsContact O-N 3.1Å; R299-E375 WeakPolarHBondContact CB-OE1 3.43Å; R299-E375 IonicContact CZ-OE2 2.9Å; R299-E375 PolarHBondContact N-OE1 3.36Å; R299-E375 IonicContact NE-OE1 3.25Å; R299-E375 PolarHBondContact NE-OE1 3.34Å; R299-E375 IonicContact NE-OE2 3.81Å; R299-E375 PolarHBondContact NE-OE2 2.94Å; R299-E375 IonicContact NH2-OE2 3.28Å; R299-E375 PolarHBondContact NH2-OE2 3.16Å | ||
| 300 | W | 96.3 | Very high | 94.1 | Very high | 171 Ų | 171 | 82 Ų | 82 | 65% | 0.648 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.2 | -32.5 | -178 | -69.7 | 106.2 | 0 | 0 | 0 | 114.7 | I298 Y302 V303 A304 L376 | I298-W300 HydrophobicContact CG2-CD2 4.24Å; I298-W300 HydrophobicContact CG2-CZ2 4.39Å; I298-W300 PolarHBondContact O-N 2.83Å; W300-Y302 VanDerWaalsContact C-N 3.34Å; W300-Y302 PolarHBondContact O-N 2.92Å; W300-V303 HydrophobicContact CE3-CB 4.45Å; W300-V303 HydrophobicContact CE3-CG1 4.33Å; W300-V303 WeakPolarHBondContact O-CB 3.17Å; W300-V303 PolarHBondContact O-N 3.24Å; W300-A304 PolarHBondContact O-N 3.39Å; W300-L376 HydrophobicContact CZ3-CD2 4.21Å |
| 301 | K | 96.5 | Very high | 94.4 | Very high | 176 Ų | 176 | 84.5 Ų | 84.5 | 77% | 0.765 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 173.1 | -175.2 | 178.3 | 179.2 | 179.9 | 0 | 111.8 | R299 A304 V305 | R299-K301 PolarHBondContact O-N 3.14Å; K301-A304 PolarHBondContact O-N 3.33Å; K301-V305 WeakPolarHBondContact O-CB 3.31Å; K301-V305 VanDerWaalsContact O-CG2 3.28Å; K301-V305 WeakPolarHBondContact O-CG2 3.24Å; K301-V305 PolarHBondContact O-N 3.15Å |
| 302 | Y | 94.4 | Very high | 94.7 | Very high | 41 Ų | 41 | 77.8 Ų | 77.8 | 16% | 0.161 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 175.8 | -178.9 | -88.6 | 0 | 0 | 0 | 110.6 | D110 R299 W300 A304 V305 T306 N371 E375 | D110-Y302 PolarHBondContact OD2-OH 3.24Å; R299-Y302 WeakPolarHBondContact O-CA 3.41Å; R299-Y302 WeakPolarHBondContact O-CB 3.47Å; R299-Y302 PolarHBondContact O-N 2.95Å; W300-Y302 VanDerWaalsContact C-N 3.34Å; W300-Y302 PolarHBondContact O-N 2.92Å; Y302-A304 PolarHBondContact O-N 3.1Å; Y302-V305 PolarHBondContact O-N 3.28Å; Y302-T306 VanDerWaalsContact O-CB 3.27Å; Y302-T306 WeakPolarHBondContact O-CB 3.2Å; Y302-T306 PolarHBondContact O-N 2.91Å; Y302-T306 PolarHBondContact O-OG1 3.08Å; Y302-N371 HydrophobicContact CE1-CB 4.21Å; Y302-N371 WeakPolarHBondContact OH-CB 3.49Å; Y302-E375 HydrophobicContact CD1-CB 4.16Å; Y302-E375 HydrophobicContact CD1-CG 4.03Å; Y302-E375 HydrophobicContact CE1-CB 4.39Å |
| 303 | V | 96.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 77.3 Ų | 77.3 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.2 | -51.3 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | I298 R299 W300 T306 L307 L372 E375 L376 | I298-V303 HydrophobicContact CG2-CG2 4.17Å; R299-V303 PolarHBondContact O-N 3.11Å; R299-V303 VanDerWaalsContact O-N 3.1Å; W300-V303 HydrophobicContact CE3-CB 4.45Å; W300-V303 HydrophobicContact CE3-CG1 4.33Å; W300-V303 WeakPolarHBondContact O-CB 3.17Å; W300-V303 PolarHBondContact O-N 3.24Å; V303-T306 PolarHBondContact O-N 2.92Å; V303-L307 WeakPolarHBondContact O-CB 3.39Å; V303-L307 PolarHBondContact O-N 3.04Å; V303-L372 HydrophobicContact CB-CD1 4.34Å; V303-L372 HydrophobicContact CG1-CD1 3.67Å; V303-E375 HydrophobicContact CG2-CB 4.18Å; V303-E375 HydrophobicContact CG2-CG 3.66Å; V303-L376 HydrophobicContact CG1-CD2 3.91Å; V303-L376 HydrophobicContact CG1-CG 4.49Å; V303-L376 HydrophobicContact CG2-CD2 4.09Å |
| 304 | A | 96.6 | Very high | 94.7 | Very high | 65 Ų | 65 | 79.1 Ų | 79.1 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W300 K301 Y302 L307 G308 | W300-A304 PolarHBondContact O-N 3.39Å; K301-A304 PolarHBondContact O-N 3.33Å; Y302-A304 PolarHBondContact O-N 3.1Å; A304-L307 PolarHBondContact O-N 3.32Å; A304-G308 PolarHBondContact O-N 3.44Å |
| 305 | V | 95.8 | Very high | 94.6 | Very high | 75 Ų | 75 | 76.4 Ų | 76.4 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 111 | K301 Y302 L307 G308 K309 | K301-V305 WeakPolarHBondContact O-CB 3.31Å; K301-V305 VanDerWaalsContact O-CG2 3.28Å; K301-V305 WeakPolarHBondContact O-CG2 3.24Å; K301-V305 PolarHBondContact O-N 3.15Å; Y302-V305 PolarHBondContact O-N 3.28Å; V305-L307 VanDerWaalsContact C-N 3.34Å; V305-L307 PolarHBondContact O-N 3.35Å; V305-G308 PolarHBondContact O-N 3.05Å; V305-K309 WeakPolarHBondContact O-CG 3.13Å; V305-K309 PolarHBondContact O-N 2.99Å |
| 306 | T | 95.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 179.1 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | Y302 V303 K309 I310 C368 L372 | Y302-T306 VanDerWaalsContact O-CB 3.27Å; Y302-T306 WeakPolarHBondContact O-CB 3.2Å; Y302-T306 PolarHBondContact O-N 2.91Å; Y302-T306 PolarHBondContact O-OG1 3.08Å; V303-T306 PolarHBondContact O-N 2.92Å; T306-K309 WeakPolarHBondContact O-CB 3.31Å; T306-K309 PolarHBondContact O-N 3.19Å; T306-I310 HydrophobicContact CG2-CD1 4.38Å; T306-I310 WeakPolarHBondContact O-CG1 3.18Å; T306-I310 PolarHBondContact O-N 2.72Å; T306-C368 HydrophobicContact CG2-CB 3.92Å; T306-C368 WeakPolarHBondContact CG2-O 3.28Å; T306-L372 HydrophobicContact CG2-CB 4.07Å |
| 307 | L | 96.1 | Very high | 94.6 | Very high | 73 Ų | 73 | 64.7 Ų | 64.7 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 171.9 | -174.1 | 63.5 | 0 | 0 | 0 | 111.5 | V303 A304 V305 K309 I310 F311 L372 | V303-L307 WeakPolarHBondContact O-CB 3.39Å; V303-L307 PolarHBondContact O-N 3.04Å; A304-L307 PolarHBondContact O-N 3.32Å; V305-L307 VanDerWaalsContact C-N 3.34Å; V305-L307 PolarHBondContact O-N 3.35Å; L307-K309 VanDerWaalsContact C-N 3.32Å; L307-K309 PolarHBondContact O-N 2.83Å; L307-I310 PolarHBondContact O-N 2.9Å; L307-I310 VanDerWaalsContact O-N 3.17Å; L307-F311 HydrophobicContact CD1-CD2 4.24Å; L307-F311 HydrophobicContact CD1-CE2 3.7Å; L307-F311 HydrophobicContact CD1-CZ 4.39Å; L307-F311 HydrophobicContact CD2-CE2 4.12Å; L307-F311 HydrophobicContact CG-CD2 3.99Å; L307-F311 HydrophobicContact CG-CE2 3.61Å; L307-F311 VanDerWaalsContact O-CD2 3.24Å; L307-F311 WeakPolarHBondContact O-CD2 3.13Å; L307-F311 PolarHBondContact O-N 3.41Å; L307-L372 HydrophobicContact CD1-CD2 4.37Å |
| 308 | G | 95.5 | Very high | 94.5 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A304 V305 F311 G312 | A304-G308 PolarHBondContact O-N 3.44Å; V305-G308 PolarHBondContact O-N 3.05Å; G308-F311 PolarHBondContact O-N 3.41Å; G308-G312 PolarHBondContact O-N 3.33Å |
| 309 | K | 94.8 | Very high | 94.2 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 173.6 | -68.4 | 173.7 | -179.3 | 175.4 | 0 | 111.8 | V305 T306 L307 G312 C313 F363 | V305-K309 WeakPolarHBondContact O-CG 3.13Å; V305-K309 PolarHBondContact O-N 2.99Å; T306-K309 WeakPolarHBondContact O-CB 3.31Å; T306-K309 PolarHBondContact O-N 3.19Å; L307-K309 VanDerWaalsContact C-N 3.32Å; L307-K309 PolarHBondContact O-N 2.83Å; K309-G312 PolarHBondContact O-N 3.34Å; K309-C313 PolarHBondContact O-N 2.97Å; K309-C313 PolarHBondContact O-SG 3.16Å; K309-F363 HydrophobicContact CD-CZ 4.28Å |
| 310 | I | 95.4 | Very high | 93.9 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.138 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 178.6 | -68.9 | 159.1 | 0 | 0 | 0 | 110.7 | T306 L307 G312 C313 L314 C368 W369 L372 | T306-I310 HydrophobicContact CG2-CD1 4.38Å; T306-I310 WeakPolarHBondContact O-CG1 3.18Å; T306-I310 PolarHBondContact O-N 2.72Å; L307-I310 PolarHBondContact O-N 2.9Å; L307-I310 VanDerWaalsContact O-N 3.17Å; I310-G312 PolarHBondContact O-N 3.26Å; I310-C313 PolarHBondContact O-N 3.45Å; I310-L314 PolarHBondContact O-N 3.2Å; I310-C368 HydrophobicContact CD1-CB 4.18Å; I310-C368 HydrophobicContact CG1-CB 3.58Å; I310-W369 HydrophobicContact CD1-CE3 4.08Å; I310-L372 HydrophobicContact CD1-CB 4.3Å; I310-L372 HydrophobicContact CD1-CD2 3.7Å |
| 311 | F | 93.1 | Very high | 93.5 | Very high | 111 Ų | 111 | 46.3 Ų | 46.3 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.6 | -74.7 | -62.8 | 0 | 0 | 0 | 111.9 | L307 G308 C313 L314 F315 | L307-F311 HydrophobicContact CD1-CD2 4.24Å; L307-F311 HydrophobicContact CD1-CE2 3.7Å; L307-F311 HydrophobicContact CD1-CZ 4.39Å; L307-F311 HydrophobicContact CD2-CE2 4.12Å; L307-F311 HydrophobicContact CG-CD2 3.99Å; L307-F311 HydrophobicContact CG-CE2 3.61Å; L307-F311 VanDerWaalsContact O-CD2 3.24Å; L307-F311 WeakPolarHBondContact O-CD2 3.13Å; L307-F311 PolarHBondContact O-N 3.41Å; G308-F311 PolarHBondContact O-N 3.41Å; F311-C313 VanDerWaalsContact C-N 3.29Å; F311-C313 PolarHBondContact O-N 3.26Å; F311-L314 WeakPolarHBondContact O-CB 3.34Å; F311-L314 PolarHBondContact O-N 3.46Å; F311-L314 VanDerWaalsContact O-N 3.15Å; F311-F315 WeakPolarHBondContact O-CD2 3.49Å; F311-F315 PolarHBondContact O-N 3.04Å; F311-F315 VanDerWaalsContact O-N 3.08Å |
| 312 | G | 92.9 | Very high | 93 | Very high | 24 Ų | 24 | 39.7 Ų | 39.7 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.2 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G308 K309 I310 F315 Y316 | G308-G312 PolarHBondContact O-N 3.33Å; K309-G312 PolarHBondContact O-N 3.34Å; I310-G312 PolarHBondContact O-N 3.26Å; G312-F315 PolarHBondContact O-N 3.05Å; G312-Y316 WeakPolarHBondContact O-CB 3.22Å; G312-Y316 PolarHBondContact O-N 3.46Å |
| 313 | C | 94.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.4 | -36.8 | 175.7 | -64.6 | 0 | 0 | 0 | 0 | 112.7 | K309 I310 F311 Y316 G317 L360 A364 | K309-C313 PolarHBondContact O-N 2.97Å; K309-C313 PolarHBondContact O-SG 3.16Å; I310-C313 PolarHBondContact O-N 3.45Å; F311-C313 VanDerWaalsContact C-N 3.29Å; F311-C313 PolarHBondContact O-N 3.26Å; C313-Y316 PolarHBondContact O-N 3.23Å; C313-G317 PolarHBondContact O-N 3.46Å; C313-L360 HydrophobicContact CB-CD1 3.75Å; C313-L360 HydrophobicContact CB-CG 4.35Å; C313-L360 WeakPolarHBondContact O-CD2 2.97Å; C313-A364 HydrophobicContact CB-CB 3.66Å |
| 314 | L | 92.6 | Very high | 92 | Very high | 71 Ų | 71 | 42.2 Ų | 42.2 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 174.9 | -179 | 66.6 | 0 | 0 | 0 | 111 | F158 I310 F311 Y316 G317 Y318 | F158-L314 HydrophobicContact CE2-CD1 4.11Å; F158-L314 HydrophobicContact CZ-CD1 4.08Å; I310-L314 PolarHBondContact O-N 3.2Å; F311-L314 WeakPolarHBondContact O-CB 3.34Å; F311-L314 PolarHBondContact O-N 3.46Å; F311-L314 VanDerWaalsContact O-N 3.15Å; L314-Y316 VanDerWaalsContact C-N 3.35Å; L314-G317 PolarHBondContact O-N 2.9Å; L314-Y318 PolarHBondContact O-N 3.39Å |
| 315 | F | 90.8 | Very high | 91.4 | Very high | 77 Ų | 77 | 39.4 Ų | 39.4 | 34% | 0.338 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.6 | -36.7 | 175.9 | -71.4 | -65 | 0 | 0 | 0 | 112.5 | F151 L154 F311 G312 Y318 F319 | F151-F315 HydrophobicContact CD1-CE1 4.25Å; F151-F315 HydrophobicContact CE1-CD1 4.06Å; F151-F315 AromaticContact CE1-CE1 3.68Å; F151-F315 HydrophobicContact CE1-CE1 3.68Å; F151-F315 HydrophobicContact CZ-CE1 4.11Å; L154-F315 HydrophobicContact CD1-CD1 4.5Å; L154-F315 HydrophobicContact CD1-CE1 4.29Å; F311-F315 WeakPolarHBondContact O-CD2 3.49Å; F311-F315 PolarHBondContact O-N 3.04Å; F311-F315 VanDerWaalsContact O-N 3.08Å; G312-F315 PolarHBondContact O-N 3.05Å; F315-Y318 WeakPolarHBondContact O-CB 3.43Å; F315-Y318 PolarHBondContact O-N 3.03Å; F315-F319 HydrophobicContact CB-CE2 4.24Å; F315-F319 WeakPolarHBondContact O-CD2 3.4Å; F315-F319 WeakPolarHBondContact O-CG 3.49Å; F315-F319 PolarHBondContact O-N 2.88Å |
| 316 | Y | 92.4 | Very high | 90.8 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 174.3 | -157.3 | -17.9 | 0 | 0 | 0 | 110.9 | F125 V128 L129 F132 G312 C313 L314 Y318 F319 I320 M356 L360 | F125-Y316 HydrophobicContact CB-CE2 4.48Å; F125-Y316 HydrophobicContact CD1-CE2 4.1Å; F125-Y316 WeakPolarHBondContact O-CE2 3.39Å; V128-Y316 WeakPolarHBondContact CG1-OH 3.32Å; L129-Y316 HydrophobicContact CB-CD2 3.97Å; L129-Y316 HydrophobicContact CB-CE2 4.03Å; L129-Y316 HydrophobicContact CB-CG 4.36Å; L129-Y316 HydrophobicContact CD1-CD1 4.15Å; L129-Y316 HydrophobicContact CD1-CD2 4.19Å; L129-Y316 HydrophobicContact CD1-CG 3.78Å; L129-Y316 HydrophobicContact CD2-CD2 4.31Å; L129-Y316 HydrophobicContact CG-CD2 4.39Å; L129-Y316 HydrophobicContact CG-CG 4.46Å; F132-Y316 HydrophobicContact CD2-CD1 4.43Å; F132-Y316 AromaticContact CD2-CE1 3.78Å; F132-Y316 HydrophobicContact CD2-CE1 3.78Å; F132-Y316 AromaticContact CE2-CE1 3.81Å; F132-Y316 HydrophobicContact CE2-CE1 3.81Å; G312-Y316 WeakPolarHBondContact O-CB 3.22Å; G312-Y316 PolarHBondContact O-N 3.46Å; C313-Y316 PolarHBondContact O-N 3.23Å; L314-Y316 VanDerWaalsContact C-N 3.35Å; Y316-Y318 VanDerWaalsContact C-N 3.29Å; Y316-Y318 PolarHBondContact O-N 2.91Å; Y316-F319 PolarHBondContact O-N 3.31Å; Y316-I320 HydrophobicContact CD1-CD1 3.56Å; Y316-I320 HydrophobicContact CD1-CG1 3.77Å; Y316-I320 HydrophobicContact CE1-CD1 3.68Å; Y316-I320 HydrophobicContact CE1-CG1 3.83Å; Y316-I320 HydrophobicContact CG-CD1 4.43Å; Y316-I320 WeakPolarHBondContact O-CG1 3.44Å; Y316-I320 PolarHBondContact O-N 3.47Å; Y316-M356 HydrophobicContact CE1-CE 3.78Å; Y316-M356 WeakPolarHBondContact OH-CE 3.41Å; Y316-L360 HydrophobicContact CD2-CD1 4.03Å; Y316-L360 HydrophobicContact CG-CD1 4.19Å; Y316-L360 HydrophobicContact CG-CD2 4.2Å |
| 317 | G | 91.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | C313 L314 I320 L321 L360 | C313-G317 PolarHBondContact O-N 3.46Å; L314-G317 PolarHBondContact O-N 2.9Å; G317-I320 PolarHBondContact O-N 3.5Å; G317-L321 WeakPolarHBondContact O-CG 3.48Å; G317-L321 PolarHBondContact O-N 3.46Å; G317-L360 VanDerWaalsContact N-CD2 3.27Å |
| 318 | Y | 90.4 | Very high | 89.4 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56 | -52 | 173.1 | 171.4 | -100 | 0 | 0 | 0 | 112.6 | E150 F151 L153 L154 L314 F315 Y316 I320 L321 V322 | E150-Y318 PolarHBondContact O-OH 3.24Å; F151-Y318 HydrophobicContact CD1-CE1 4.35Å; L153-Y318 HydrophobicContact CB-CE2 4.06Å; L153-Y318 HydrophobicContact CD2-CD2 4.38Å; L153-Y318 HydrophobicContact CD2-CE2 4.24Å; L154-Y318 HydrophobicContact CD1-CD2 4.08Å; L154-Y318 HydrophobicContact CD1-CG 4.24Å; L154-Y318 HydrophobicContact CD2-CD2 4.08Å; L154-Y318 HydrophobicContact CG-CD2 3.65Å; L154-Y318 HydrophobicContact CG-CE2 4.12Å; L154-Y318 HydrophobicContact CG-CG 4.26Å; L314-Y318 PolarHBondContact O-N 3.39Å; F315-Y318 WeakPolarHBondContact O-CB 3.43Å; F315-Y318 PolarHBondContact O-N 3.03Å; Y316-Y318 VanDerWaalsContact C-N 3.29Å; Y316-Y318 PolarHBondContact O-N 2.91Å; Y318-I320 PolarHBondContact O-N 3.04Å; Y318-L321 PolarHBondContact O-N 2.76Å; Y318-V322 HydrophobicContact CD2-CG2 4.13Å; Y318-V322 HydrophobicContact CE1-CG2 4.24Å; Y318-V322 HydrophobicContact CE2-CG2 3.72Å; Y318-V322 WeakPolarHBondContact O-CG2 3.4Å; Y318-V322 PolarHBondContact O-N 3Å |
| 319 | F | 89.7 | Confident | 88.4 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -37.9 | -179.7 | -67.6 | -53.2 | 0 | 0 | 0 | 112.8 | L129 F132 C133 T136 F315 Y316 L321 V322 R323 | L129-F319 HydrophobicContact CD1-CD2 3.81Å; L129-F319 HydrophobicContact CD1-CE2 4.22Å; F132-F319 HydrophobicContact CB-CB 4.19Å; F132-F319 HydrophobicContact CB-CG 4.45Å; C133-F319 HydrophobicContact CB-CE2 4.11Å; C133-F319 HydrophobicContact CB-CZ 4.2Å; T136-F319 HydrophobicContact CG2-CD1 4.33Å; T136-F319 HydrophobicContact CG2-CE1 4Å; F315-F319 HydrophobicContact CB-CE2 4.24Å; F315-F319 WeakPolarHBondContact O-CD2 3.4Å; F315-F319 WeakPolarHBondContact O-CG 3.49Å; F315-F319 PolarHBondContact O-N 2.88Å; Y316-F319 PolarHBondContact O-N 3.31Å; F319-L321 VanDerWaalsContact C-N 3.32Å; F319-L321 PolarHBondContact O-N 3.25Å; F319-V322 PolarHBondContact O-N 3.21Å; F319-R323 VanDerWaalsContact O-CB 3.24Å; F319-R323 WeakPolarHBondContact O-CB 3.31Å; F319-R323 PolarHBondContact O-N 2.92Å |
| 320 | I | 90.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 174.1 | -69.9 | 162.4 | 0 | 0 | 0 | 110 | Y316 G317 Y318 L324 C325 P353 M356 L357 L360 | Y316-I320 HydrophobicContact CD1-CD1 3.56Å; Y316-I320 HydrophobicContact CD1-CG1 3.77Å; Y316-I320 HydrophobicContact CE1-CD1 3.68Å; Y316-I320 HydrophobicContact CE1-CG1 3.83Å; Y316-I320 HydrophobicContact CG-CD1 4.43Å; Y316-I320 WeakPolarHBondContact O-CG1 3.44Å; Y316-I320 PolarHBondContact O-N 3.47Å; G317-I320 PolarHBondContact O-N 3.5Å; Y318-I320 PolarHBondContact O-N 3.04Å; I320-L324 HydrophobicContact CG2-CD1 4.25Å; I320-L324 WeakPolarHBondContact O-CA 3.32Å; I320-L324 VanDerWaalsContact O-CB 3.26Å; I320-L324 WeakPolarHBondContact O-CB 3.43Å; I320-L324 PolarHBondContact O-N 2.88Å; I320-C325 PolarHBondContact O-N 2.92Å; I320-P353 HydrophobicContact CG2-CB 3.93Å; I320-M356 HydrophobicContact CD1-CB 3.86Å; I320-M356 HydrophobicContact CD1-CE 4.17Å; I320-M356 HydrophobicContact CG1-CE 4.21Å; I320-L357 HydrophobicContact CB-CD2 4.23Å; I320-L357 HydrophobicContact CD1-CD2 4.36Å; I320-L357 HydrophobicContact CG2-CD1 4.29Å; I320-L357 HydrophobicContact CG2-CD2 3.89Å; I320-L357 HydrophobicContact CG2-CG 3.8Å; I320-L360 HydrophobicContact CD1-CD2 3.97Å |
| 321 | L | 88 | Confident | 85.4 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -61.9 | -51.8 | 178.7 | -69.1 | 173 | 0 | 0 | 0 | 111.2 | G317 Y318 F319 C325 I326 L357 | G317-L321 WeakPolarHBondContact O-CG 3.48Å; G317-L321 PolarHBondContact O-N 3.46Å; Y318-L321 PolarHBondContact O-N 2.76Å; F319-L321 VanDerWaalsContact C-N 3.32Å; F319-L321 PolarHBondContact O-N 3.25Å; L321-C325 HydrophobicContact CD2-CB 4.29Å; L321-C325 WeakPolarHBondContact O-CB 3.2Å; L321-C325 PolarHBondContact O-N 3.14Å; L321-C325 VanDerWaalsContact O-N 3.16Å; L321-I326 WeakPolarHBondContact O-CG1 3.45Å; L321-I326 PolarHBondContact O-N 2.72Å; L321-L357 HydrophobicContact CD2-CD1 4.12Å |
| 322 | V | 85.1 | Confident | 83.2 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -67.4 | -39.6 | -175.2 | 173.9 | 0 | 0 | 0 | 0 | 112.9 | L153 Y318 F319 I326 P327 | L153-V322 HydrophobicContact CD2-CG2 3.87Å; Y318-V322 HydrophobicContact CD2-CG2 4.13Å; Y318-V322 HydrophobicContact CE1-CG2 4.24Å; Y318-V322 HydrophobicContact CE2-CG2 3.72Å; Y318-V322 WeakPolarHBondContact O-CG2 3.4Å; Y318-V322 PolarHBondContact O-N 3Å; F319-V322 PolarHBondContact O-N 3.21Å; V322-I326 HydrophobicContact CG2-CD1 4.24Å; V322-P327 WeakPolarHBondContact O-CD 3.4Å |
| 323 | R | 84.3 | Confident | 80.9 | Confident | 64 Ų | 64 | 53.9 Ų | 53.9 | 24% | 0.242 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -91.9 | -34.9 | -174.5 | -66.5 | -56 | -154.2 | 165.7 | 20.5 | 114.4 | S135 T136 V139 F319 P327 | S135-R323 PolarHBondContact O-NH2 3.12Å; S135-R323 PolarHBondContact OG-NH2 3.39Å; T136-R323 PolarHBondContact OG1-NE 2.84Å; T136-R323 VanDerWaalsContact OG1-NE 3.14Å; V139-R323 VanDerWaalsContact CB-NH2 3.25Å; F319-R323 VanDerWaalsContact O-CB 3.24Å; F319-R323 WeakPolarHBondContact O-CB 3.31Å; F319-R323 PolarHBondContact O-N 2.92Å; R323-P327 WeakPolarHBondContact O-CG 3.21Å |
| 324 | L | 86.3 | Confident | 78.6 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -108.2 | -35.6 | -171.7 | -55.6 | 179.2 | 0 | 0 | 0 | 112.5 | F132 I320 V328 P353 M356 | F132-L324 HydrophobicContact CZ-CD1 4.16Å; I320-L324 HydrophobicContact CG2-CD1 4.25Å; I320-L324 WeakPolarHBondContact O-CA 3.32Å; I320-L324 VanDerWaalsContact O-CB 3.26Å; I320-L324 WeakPolarHBondContact O-CB 3.43Å; I320-L324 PolarHBondContact O-N 2.88Å; L324-V328 VanDerWaalsContact O-CG2 3.28Å; L324-V328 WeakPolarHBondContact O-CG2 3.28Å; L324-P353 HydrophobicContact CB-CB 3.83Å; L324-P353 HydrophobicContact CB-CG 4.27Å; L324-P353 HydrophobicContact CD1-CB 4.35Å; L324-M356 HydrophobicContact CD1-SD 4.06Å |
| 325 | C | 84.7 | Confident | 76.5 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.034 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -88 | -55.9 | -179.3 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | I320 L321 V328 F329 | I320-C325 PolarHBondContact O-N 2.92Å; L321-C325 HydrophobicContact CD2-CB 4.29Å; L321-C325 WeakPolarHBondContact O-CB 3.2Å; L321-C325 PolarHBondContact O-N 3.14Å; L321-C325 VanDerWaalsContact O-N 3.16Å; C325-V328 PolarHBondContact O-N 3.44Å; C325-V328 VanDerWaalsContact O-N 3.13Å; C325-F329 WeakPolarHBondContact O-CD2 3.38Å |
| 326 | I | 83.2 | Confident | 74.7 | Confident | 42 Ų | 42 | 62 Ų | 62 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.9 | -46.6 | -172.8 | -65.6 | -177.9 | 0 | 0 | 0 | 112.6 | L153 L321 V322 V328 F329 R330 Y504 | L153-I326 HydrophobicContact CD2-CD1 4.21Å; L321-I326 WeakPolarHBondContact O-CG1 3.45Å; L321-I326 PolarHBondContact O-N 2.72Å; V322-I326 HydrophobicContact CG2-CD1 4.24Å; I326-V328 PolarHBondContact O-N 2.95Å; I326-F329 PolarHBondContact O-N 3.19Å; I326-F329 VanDerWaalsContact O-N 3.15Å; I326-R330 HydrophobicContact CG2-CB 4.4Å; I326-R330 WeakPolarHBondContact O-CB 3.07Å; I326-R330 PolarHBondContact O-N 2.94Å; I326-Y504 WeakPolarHBondContact CG1-OH 3.26Å |
| 327 | P | 82.7 | Confident | 73 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.2 | -22.8 | -176.9 | -23.7 | 37 | 0 | 0 | 0 | 114.3 | V322 R323 | V322-P327 WeakPolarHBondContact O-CD 3.4Å; R323-P327 WeakPolarHBondContact O-CG 3.21Å |
| 328 | V | 79.7 | Confident | 71.5 | Confident | 53 Ų | 53 | 70.1 Ų | 70.1 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.7 | -30.9 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | L324 C325 I326 A346 H349 | L324-V328 VanDerWaalsContact O-CG2 3.28Å; L324-V328 WeakPolarHBondContact O-CG2 3.28Å; C325-V328 PolarHBondContact O-N 3.44Å; C325-V328 VanDerWaalsContact O-N 3.13Å; I326-V328 PolarHBondContact O-N 2.95Å; V328-A346 HydrophobicContact CG1-CB 4.48Å; V328-H349 HydrophobicContact CG1-CB 4.3Å; V328-H349 HydrophobicContact CG2-CB 4.28Å |
| 329 | F | 73.8 | Confident | 70.6 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 6% | 0.057 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -110.4 | -16.1 | -174.3 | -59.7 | -70.6 | 0 | 0 | 0 | 114.4 | C325 I326 P331 A346 S350 C497 C500 Q501 Y504 | C325-F329 WeakPolarHBondContact O-CD2 3.38Å; I326-F329 PolarHBondContact O-N 3.19Å; I326-F329 VanDerWaalsContact O-N 3.15Å; F329-P331 WeakPolarHBondContact O-CD 3.1Å; F329-A346 HydrophobicContact CE1-CB 4.49Å; F329-S350 WeakPolarHBondContact CZ-OG 3.45Å; F329-C497 HydrophobicContact CE1-CB 4.49Å; F329-C497 HydrophobicContact CZ-CB 4.18Å; F329-C500 HydrophobicContact CD1-CB 4.29Å; F329-C500 HydrophobicContact CD2-CB 3.54Å; F329-C500 HydrophobicContact CE1-CB 4.32Å; F329-C500 HydrophobicContact CE2-CB 3.6Å; F329-C500 HydrophobicContact CG-CB 3.95Å; F329-C500 HydrophobicContact CZ-CB 4.03Å; F329-Q501 HydrophobicContact CD1-CB 4.42Å; F329-Q501 HydrophobicContact CE1-CB 4.49Å; F329-Y504 HydrophobicContact CB-CD2 3.47Å; F329-Y504 VanDerWaalsContact CB-CD2 3.47Å; F329-Y504 HydrophobicContact CB-CE2 3.52Å; F329-Y504 HydrophobicContact CB-CG 4.4Å; F329-Y504 HydrophobicContact CG-CD2 4.32Å; F329-Y504 HydrophobicContact CG-CE2 4.4Å |
| 330 | R | 70.3 | Confident | 70 | Confident | 179 Ų | 179 | 80.3 Ų | 80.3 | 68% | 0.675 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -65.3 | 121.4 | 169.7 | -165 | 173.1 | -169.1 | 167.9 | 2.4 | 106.6 | I326 A332 | I326-R330 HydrophobicContact CG2-CB 4.4Å; I326-R330 WeakPolarHBondContact O-CB 3.07Å; I326-R330 PolarHBondContact O-N 2.94Å; R330-A332 PolarHBondContact O-N 3.44Å |
| 331 | P | 55.7 | Low | 69.6 | Low | 52 Ų | 52 | 89.4 Ų | 89.4 | 34% | 0.338 | 46% | 0.458 | S | S | . | . | trans | -55.6 | 116.1 | -178.6 | -22.7 | 31.7 | 0 | 0 | 0 | 108.8 | F329 E333 | F329-P331 WeakPolarHBondContact O-CD 3.1Å; P331-E333 PolarHBondContact O-N 3.21Å | ||
| 332 | A | 48.1 | Very low | 69.2 | Low | 81 Ų | 81 | 89.3 Ų | 89.3 | 67% | 0.669 | 46% | 0.46 | S | S | * | . | trans | -72 | 78.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | R330 T334 | R330-A332 PolarHBondContact O-N 3.44Å; A332-T334 WeakPolarHBondContact O-CA 3.27Å; A332-T334 VanDerWaalsContact O-CB 3.26Å; A332-T334 WeakPolarHBondContact O-CB 3.37Å; A332-T334 PolarHBondContact O-N 3.32Å; A332-T334 PolarHBondContact O-OG1 2.88Å | ||
| 333 | E | 45.1 | Very low | 69 | Low | 194 Ų | 194 | 90.1 Ų | 90.1 | 91% | 0.907 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 49.2 | 6.1 | 165 | -62.6 | -176 | 165.1 | 0 | 0 | 117.8 | P331 | P331-E333 PolarHBondContact O-N 3.21Š|
| 334 | T | 45 | Very low | 69.1 | Low | 85 Ų | 85 | 90.4 Ų | 90.4 | 52% | 0.521 | 47% | 0.47 | S | S | . | . | trans | -127.9 | 94.8 | -165.1 | -40.3 | 0 | 0 | 0 | 0 | 106.4 | A332 Q336 | A332-T334 WeakPolarHBondContact O-CA 3.27Å; A332-T334 VanDerWaalsContact O-CB 3.26Å; A332-T334 WeakPolarHBondContact O-CB 3.37Å; A332-T334 PolarHBondContact O-N 3.32Å; A332-T334 PolarHBondContact O-OG1 2.88Å; T334-Q336 HydrophobicContact CG2-CB 4.41Å; T334-Q336 HydrophobicContact CG2-CG 3.87Å; T334-Q336 PolarHBondContact O-N 3.35Å | ||
| 335 | N | 50.2 | Low | 69.1 | Low | 107 Ų | 107 | 92.1 Ų | 92.1 | 57% | 0.572 | 48% | 0.479 | S | S | * | . | trans | -63.6 | 48.7 | 174.8 | -66.5 | -32 | 0 | 0 | 0 | 112.4 | ||||
| 336 | Q | 52 | Low | 69.1 | Low | 139 Ų | 139 | 92.2 Ų | 92.2 | 65% | 0.65 | 48% | 0.481 | S | S | * | . | trans | -93.5 | 135.3 | 176 | -81.3 | -177.8 | 16.8 | 0 | 0 | 110.3 | T334 F338 | T334-Q336 HydrophobicContact CG2-CB 4.41Å; T334-Q336 HydrophobicContact CG2-CG 3.87Å; T334-Q336 PolarHBondContact O-N 3.35Å; Q336-F338 PolarHBondContact O-N 2.94Å | ||
| 337 | P | 56.3 | Low | 69.4 | Low | 115 Ų | 115 | 91.2 Ų | 91.2 | 75% | 0.747 | 48% | 0.476 | S | S | * | . | trans | -58.3 | 141.8 | 171.2 | 25.9 | -33 | 0 | 0 | 0 | 109.3 | S339 | P337-S339 PolarHBondContact O-N 3.5Š| ||
| 338 | F | 61.5 | Low | 69.8 | Low | 80 Ų | 80 | 93.3 Ų | 93.3 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | trans | -57.1 | 101.8 | 179.1 | -96.9 | -89.4 | 0 | 0 | 0 | 110.2 | Q336 T342 Q501 | Q336-F338 PolarHBondContact O-N 2.94Å; F338-T342 HydrophobicContact CD1-CG2 3.9Å; F338-T342 HydrophobicContact CE1-CG2 3.9Å; F338-Q501 HydrophobicContact CE2-CG 4.32Å; F338-Q501 HydrophobicContact CZ-CG 4.44Å | ||
| 339 | S | 71.6 | Confident | 70.3 | Confident | 67 Ų | 67 | 96.5 Ų | 96.5 | 47% | 0.469 | 49% | 0.489 | S | S | . | . | trans | -66.2 | 149.9 | 169.8 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | P337 R341 T342 M343 | P337-S339 PolarHBondContact O-N 3.5Å; S339-R341 PolarHBondContact O-N 2.8Å; S339-T342 WeakPolarHBondContact O-CB 3.48Å; S339-T342 PolarHBondContact O-N 3.39Å; S339-M343 PolarHBondContact O-N 2.93Å | ||
| 340 | K | 76.4 | Confident | 71.1 | Confident | 178 Ų | 178 | 95.9 Ų | 95.9 | 77% | 0.774 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -50.6 | -36.1 | 175 | -64.3 | 179.3 | -177.7 | 176.9 | 0 | 111.6 | V344 | K340-V344 WeakPolarHBondContact O-CG2 3.05Å; K340-V344 PolarHBondContact O-N 3.03Å; K340-V344 VanDerWaalsContact O-N 3.14Å |
| 341 | R | 80.8 | Confident | 72.2 | Confident | 193 Ų | 193 | 89 Ų | 89 | 73% | 0.728 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.8 | -47.8 | 175.5 | -178.4 | -179.5 | 176.6 | -173.8 | -1.1 | 112.1 | S339 M343 V344 L345 | S339-R341 PolarHBondContact O-N 2.8Å; R341-M343 VanDerWaalsContact C-N 3.34Å; R341-M343 PolarHBondContact O-N 3.48Å; R341-V344 PolarHBondContact O-N 2.88Å; R341-L345 HydrophobicContact CG-CD1 4.12Å; R341-L345 WeakPolarHBondContact O-CG 3.38Å; R341-L345 PolarHBondContact O-N 3.25Å |
| 342 | T | 80.5 | Confident | 74 | Confident | 66 Ų | 66 | 91.4 Ų | 91.4 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | -179.6 | -49.3 | 0 | 0 | 0 | 0 | 111.3 | F338 S339 L345 A346 | F338-T342 HydrophobicContact CD1-CG2 3.9Å; F338-T342 HydrophobicContact CE1-CG2 3.9Å; S339-T342 WeakPolarHBondContact O-CB 3.48Å; S339-T342 PolarHBondContact O-N 3.39Å; T342-L345 PolarHBondContact O-N 3.45Å; T342-A346 WeakPolarHBondContact O-CB 3.32Å; T342-A346 PolarHBondContact O-N 3.4Å |
| 343 | M | 80.6 | Confident | 76.1 | Confident | 54 Ų | 54 | 87.8 Ų | 87.8 | 27% | 0.266 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.3 | -176 | -174.1 | 64.3 | 0 | 0 | 111.8 | S339 R341 L345 A346 V347 W525 | S339-M343 PolarHBondContact O-N 2.93Å; R341-M343 VanDerWaalsContact C-N 3.34Å; R341-M343 PolarHBondContact O-N 3.48Å; M343-L345 VanDerWaalsContact C-N 3.35Å; M343-L345 PolarHBondContact O-N 2.93Å; M343-A346 PolarHBondContact O-N 2.87Å; M343-V347 WeakPolarHBondContact O-CG2 3.4Å; M343-V347 PolarHBondContact O-N 3.5Å; M343-W525 HydrophobicContact SD-CH2 3.65Å; M343-W525 HydrophobicContact SD-CZ2 4.48Å; M343-W525 HydrophobicContact SD-CZ3 4.34Å |
| 344 | V | 86.3 | Confident | 78.4 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 42% | 0.424 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | K340 R341 V347 F348 | K340-V344 WeakPolarHBondContact O-CG2 3.05Å; K340-V344 PolarHBondContact O-N 3.03Å; K340-V344 VanDerWaalsContact O-N 3.14Å; R341-V344 PolarHBondContact O-N 2.88Å; V344-V347 PolarHBondContact O-N 3.3Å; V344-F348 HydrophobicContact CG1-CD2 3.77Å; V344-F348 HydrophobicContact CG1-CE2 3.49Å; V344-F348 VanDerWaalsContact CG1-CE2 3.49Å; V344-F348 WeakPolarHBondContact O-CD2 3.45Å; V344-F348 PolarHBondContact O-N 2.75Å; V344-F348 VanDerWaalsContact O-N 3.11Å |
| 345 | L | 86.4 | Confident | 80.7 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 42% | 0.419 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.2 | -70 | 171.6 | 0 | 0 | 0 | 111.9 | R341 T342 M343 V347 F348 H349 | R341-L345 HydrophobicContact CG-CD1 4.12Å; R341-L345 WeakPolarHBondContact O-CG 3.38Å; R341-L345 PolarHBondContact O-N 3.25Å; T342-L345 PolarHBondContact O-N 3.45Å; M343-L345 VanDerWaalsContact C-N 3.35Å; M343-L345 PolarHBondContact O-N 2.93Å; L345-V347 VanDerWaalsContact C-N 3.32Å; L345-V347 PolarHBondContact O-N 2.94Å; L345-F348 PolarHBondContact O-N 3.29Å; L345-H349 PolarHBondContact O-CD2 3.43Å; L345-H349 PolarHBondContact O-N 2.97Å |
| 346 | A | 85.6 | Confident | 82.8 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V328 F329 T342 M343 H349 S350 | V328-A346 HydrophobicContact CG1-CB 4.48Å; F329-A346 HydrophobicContact CE1-CB 4.49Å; T342-A346 WeakPolarHBondContact O-CB 3.32Å; T342-A346 PolarHBondContact O-N 3.4Å; M343-A346 PolarHBondContact O-N 2.87Å; A346-H349 PolarHBondContact O-N 3.24Å; A346-S350 VanDerWaalsContact O-CB 3.28Å; A346-S350 WeakPolarHBondContact O-CB 3.34Å; A346-S350 PolarHBondContact O-N 3.39Å; A346-S350 PolarHBondContact O-OG 3.03Å |
| 347 | V | 89.5 | Confident | 84.8 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 13% | 0.127 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -49.4 | 173.4 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | M343 V344 L345 H349 S350 I351 L490 V494 C497 | M343-V347 WeakPolarHBondContact O-CG2 3.4Å; M343-V347 PolarHBondContact O-N 3.5Å; V344-V347 PolarHBondContact O-N 3.3Å; L345-V347 VanDerWaalsContact C-N 3.32Å; L345-V347 PolarHBondContact O-N 2.94Å; V347-H349 PolarHBondContact O-N 3.39Å; V347-S350 PolarHBondContact O-N 3.37Å; V347-S350 VanDerWaalsContact O-N 3.09Å; V347-I351 WeakPolarHBondContact O-CG1 3.25Å; V347-I351 PolarHBondContact O-N 3.45Å; V347-L490 HydrophobicContact CG1-CD1 4.37Å; V347-V494 HydrophobicContact CG1-CG2 3.86Å; V347-C497 HydrophobicContact CG2-CB 4.02Å |
| 348 | F | 90.3 | Very high | 86.6 | Confident | 125 Ų | 125 | 61.9 Ų | 61.9 | 55% | 0.548 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 179.5 | -77.9 | -67.6 | 0 | 0 | 0 | 113 | V344 L345 S350 I351 | V344-F348 HydrophobicContact CG1-CD2 3.77Å; V344-F348 HydrophobicContact CG1-CE2 3.49Å; V344-F348 VanDerWaalsContact CG1-CE2 3.49Å; V344-F348 WeakPolarHBondContact O-CD2 3.45Å; V344-F348 PolarHBondContact O-N 2.75Å; V344-F348 VanDerWaalsContact O-N 3.11Å; L345-F348 PolarHBondContact O-N 3.29Å; F348-S350 PolarHBondContact O-N 2.94Å; F348-I351 HydrophobicContact CD1-CD1 3.71Å; F348-I351 HydrophobicContact CE1-CD1 4.29Å; F348-I351 PolarHBondContact O-N 3.42Å |
| 349 | H | 89.7 | Confident | 88.2 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.5 | -26.3 | 174.7 | -73.2 | -62 | 0 | 0 | 0 | 112.6 | V328 L345 A346 V347 P353 | V328-H349 HydrophobicContact CG1-CB 4.3Å; V328-H349 HydrophobicContact CG2-CB 4.28Å; L345-H349 PolarHBondContact O-CD2 3.43Å; L345-H349 PolarHBondContact O-N 2.97Å; A346-H349 PolarHBondContact O-N 3.24Å; V347-H349 PolarHBondContact O-N 3.39Å; H349-P353 WeakPolarHBondContact O-CD 3.27Å |
| 350 | S | 91.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -84.7 | -12.2 | 179 | -58.1 | 0 | 0 | 0 | 0 | 114.5 | F329 A346 V347 F348 P353 G354 | F329-S350 WeakPolarHBondContact CZ-OG 3.45Å; A346-S350 VanDerWaalsContact O-CB 3.28Å; A346-S350 WeakPolarHBondContact O-CB 3.34Å; A346-S350 PolarHBondContact O-N 3.39Å; A346-S350 PolarHBondContact O-OG 3.03Å; V347-S350 PolarHBondContact O-N 3.37Å; V347-S350 VanDerWaalsContact O-N 3.09Å; F348-S350 PolarHBondContact O-N 2.94Å; S350-P353 WeakPolarHBondContact O-CD 3.41Å; S350-P353 WeakPolarHBondContact O-CG 3.31Å; S350-G354 PolarHBondContact O-N 3.43Å |
| 351 | I | 93.9 | Very high | 90.1 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 17% | 0.169 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | -180 | -70 | 171 | 0 | 0 | 0 | 110.9 | V347 F348 G354 I355 F489 | V347-I351 WeakPolarHBondContact O-CG1 3.25Å; V347-I351 PolarHBondContact O-N 3.45Å; F348-I351 HydrophobicContact CD1-CD1 3.71Å; F348-I351 HydrophobicContact CE1-CD1 4.29Å; F348-I351 PolarHBondContact O-N 3.42Å; I351-G354 PolarHBondContact O-N 3.22Å; I351-I355 WeakPolarHBondContact O-CG2 3.32Å; I351-I355 PolarHBondContact O-N 3.45Å; I351-F489 HydrophobicContact CG2-CB 3.84Å; I351-F489 HydrophobicContact CG2-CG 4.49Å |
| 352 | L | 92 | Very high | 90.8 | Very high | 104 Ų | 104 | 44.9 Ų | 44.9 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.2 | -54.4 | -178.9 | -180 | 64.7 | 0 | 0 | 0 | 112.6 | G354 I355 M356 | L352-G354 VanDerWaalsContact C-N 3.27Å; L352-G354 PolarHBondContact O-N 3.08Å; L352-I355 VanDerWaalsContact O-CG2 3.24Å; L352-I355 WeakPolarHBondContact O-CG2 3.25Å; L352-I355 PolarHBondContact O-N 3.06Å; L352-M356 HydrophobicContact CD1-CG 4.31Å; L352-M356 HydrophobicContact CD1-SD 4.06Å; L352-M356 HydrophobicContact CG-SD 4.06Å; L352-M356 VanDerWaalsContact O-CG 3.25Å; L352-M356 WeakPolarHBondContact O-CG 3.24Å; L352-M356 PolarHBondContact O-N 3.18Å |
| 353 | P | 92.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -35.8 | 176.2 | 22.5 | -31.6 | 0 | 0 | 0 | 112.1 | I320 L324 H349 S350 M356 L357 | I320-P353 HydrophobicContact CG2-CB 3.93Å; L324-P353 HydrophobicContact CB-CB 3.83Å; L324-P353 HydrophobicContact CB-CG 4.27Å; L324-P353 HydrophobicContact CD1-CB 4.35Å; H349-P353 WeakPolarHBondContact O-CD 3.27Å; S350-P353 WeakPolarHBondContact O-CD 3.41Å; S350-P353 WeakPolarHBondContact O-CG 3.31Å; P353-M356 PolarHBondContact O-N 2.9Å; P353-L357 WeakPolarHBondContact O-CB 3.45Å; P353-L357 VanDerWaalsContact O-CG 3.27Å; P353-L357 WeakPolarHBondContact O-CG 3.31Å; P353-L357 PolarHBondContact O-N 3.26Å |
| 354 | G | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S350 I351 L352 L357 L358 | S350-G354 PolarHBondContact O-N 3.43Å; I351-G354 PolarHBondContact O-N 3.22Å; L352-G354 VanDerWaalsContact C-N 3.27Å; L352-G354 PolarHBondContact O-N 3.08Å; G354-L357 PolarHBondContact O-N 3.26Å; G354-L358 PolarHBondContact O-N 2.86Å |
| 355 | I | 94.5 | Very high | 92.7 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -37.5 | 177.3 | -172.7 | 60 | 0 | 0 | 0 | 112.2 | I351 L352 L357 L358 L359 W485 F489 | I351-I355 WeakPolarHBondContact O-CG2 3.32Å; I351-I355 PolarHBondContact O-N 3.45Å; L352-I355 VanDerWaalsContact O-CG2 3.24Å; L352-I355 WeakPolarHBondContact O-CG2 3.25Å; L352-I355 PolarHBondContact O-N 3.06Å; I355-L357 VanDerWaalsContact C-N 3.35Å; I355-L357 PolarHBondContact O-N 3.38Å; I355-L358 HydrophobicContact CD1-CB 4.4Å; I355-L358 HydrophobicContact CD1-CD2 3.95Å; I355-L358 PolarHBondContact O-N 2.92Å; I355-L359 HydrophobicContact CD1-CD1 4.45Å; I355-L359 HydrophobicContact CD1-CG 4.15Å; I355-L359 HydrophobicContact CG1-CD1 4.09Å; I355-L359 HydrophobicContact CG1-CG 4.26Å; I355-L359 WeakPolarHBondContact O-CG 3.4Å; I355-L359 PolarHBondContact O-N 3.43Å; I355-W485 HydrophobicContact CD1-CZ3 4.17Å; I355-F489 HydrophobicContact CB-CD1 4.08Å; I355-F489 HydrophobicContact CB-CE1 4.23Å; I355-F489 HydrophobicContact CD1-CD1 3.71Å; I355-F489 HydrophobicContact CD1-CE1 3.57Å; I355-F489 HydrophobicContact CG1-CD1 3.73Å; I355-F489 HydrophobicContact CG1-CE1 3.45Å; I355-F489 VanDerWaalsContact CG1-CE1 3.45Å; I355-F489 HydrophobicContact CG1-CZ 4.4Å |
| 356 | M | 93 | Very high | 93.1 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 176.3 | -70.1 | -179.7 | 71.6 | 0 | 0 | 111.1 | F132 Y316 I320 L324 L352 P353 L360 | F132-M356 HydrophobicContact CE2-CE 3.92Å; F132-M356 HydrophobicContact CZ-CE 4.43Å; Y316-M356 HydrophobicContact CE1-CE 3.78Å; Y316-M356 WeakPolarHBondContact OH-CE 3.41Å; I320-M356 HydrophobicContact CD1-CB 3.86Å; I320-M356 HydrophobicContact CD1-CE 4.17Å; I320-M356 HydrophobicContact CG1-CE 4.21Å; L324-M356 HydrophobicContact CD1-SD 4.06Å; L352-M356 HydrophobicContact CD1-CG 4.31Å; L352-M356 HydrophobicContact CD1-SD 4.06Å; L352-M356 HydrophobicContact CG-SD 4.06Å; L352-M356 VanDerWaalsContact O-CG 3.25Å; L352-M356 WeakPolarHBondContact O-CG 3.24Å; L352-M356 PolarHBondContact O-N 3.18Å; P353-M356 PolarHBondContact O-N 2.9Å; M356-L360 WeakPolarHBondContact O-CB 3.42Å; M356-L360 PolarHBondContact O-N 3.05Å |
| 357 | L | 93.8 | Very high | 93.6 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 174.4 | -72.3 | 171.8 | 0 | 0 | 0 | 111.8 | I320 L321 P353 G354 I355 L360 C361 V496 | I320-L357 HydrophobicContact CB-CD2 4.23Å; I320-L357 HydrophobicContact CD1-CD2 4.36Å; I320-L357 HydrophobicContact CG2-CD1 4.29Å; I320-L357 HydrophobicContact CG2-CD2 3.89Å; I320-L357 HydrophobicContact CG2-CG 3.8Å; L321-L357 HydrophobicContact CD2-CD1 4.12Å; P353-L357 WeakPolarHBondContact O-CB 3.45Å; P353-L357 VanDerWaalsContact O-CG 3.27Å; P353-L357 WeakPolarHBondContact O-CG 3.31Å; P353-L357 PolarHBondContact O-N 3.26Å; G354-L357 PolarHBondContact O-N 3.26Å; I355-L357 VanDerWaalsContact C-N 3.35Å; I355-L357 PolarHBondContact O-N 3.38Å; L357-L360 PolarHBondContact O-N 3.49Å; L357-C361 VanDerWaalsContact O-CB 3.24Å; L357-C361 WeakPolarHBondContact O-CB 3.36Å; L357-C361 PolarHBondContact O-N 2.98Å; L357-C361 PolarHBondContact O-SG 2.9Å; L357-V496 HydrophobicContact CD1-CG2 4.45Å |
| 358 | L | 94.3 | Very high | 93.9 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 12% | 0.115 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -51 | 177.3 | 177.9 | 67.7 | 0 | 0 | 0 | 111.7 | G354 I355 L360 C361 F362 W401 L488 Q492 | G354-L358 PolarHBondContact O-N 2.86Å; I355-L358 HydrophobicContact CD1-CB 4.4Å; I355-L358 HydrophobicContact CD1-CD2 3.95Å; I355-L358 PolarHBondContact O-N 2.92Å; L358-L360 VanDerWaalsContact C-N 3.34Å; L358-C361 PolarHBondContact O-N 3.47Å; L358-F362 WeakPolarHBondContact O-CB 3.18Å; L358-F362 PolarHBondContact O-N 3.36Å; L358-W401 HydrophobicContact CD1-CH2 3.52Å; L358-W401 HydrophobicContact CD1-CZ2 3.65Å; L358-W401 HydrophobicContact CD2-CH2 4.19Å; L358-W401 HydrophobicContact CG-CH2 3.71Å; L358-W401 HydrophobicContact CG-CZ2 4.35Å; L358-W401 HydrophobicContact CG-CZ3 4.49Å; L358-L488 HydrophobicContact CD2-CD1 3.92Å; L358-L488 HydrophobicContact CD2-CD2 3.83Å; L358-L488 HydrophobicContact CD2-CG 3.9Å; L358-Q492 HydrophobicContact CB-CG 4.19Å; L358-Q492 HydrophobicContact CD2-CG 3.82Å; L358-Q492 HydrophobicContact CG-CG 4.49Å |
| 359 | L | 94.5 | Very high | 94.3 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.7 | -39.8 | -179.9 | -68.6 | 176.3 | 0 | 0 | 0 | 111.7 | F125 I355 F362 F363 W388 | F125-L359 HydrophobicContact CZ-CD1 4.48Å; I355-L359 HydrophobicContact CD1-CD1 4.45Å; I355-L359 HydrophobicContact CD1-CG 4.15Å; I355-L359 HydrophobicContact CG1-CD1 4.09Å; I355-L359 HydrophobicContact CG1-CG 4.26Å; I355-L359 WeakPolarHBondContact O-CG 3.4Å; I355-L359 PolarHBondContact O-N 3.43Å; L359-F362 PolarHBondContact O-N 3.28Å; L359-F363 WeakPolarHBondContact O-CB 3.33Å; L359-F363 PolarHBondContact O-N 3.48Å; L359-W388 HydrophobicContact CD2-CH2 3.72Å; L359-W388 HydrophobicContact CD2-CZ2 4.05Å |
| 360 | L | 94.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.4 | -45.8 | 177.8 | -175.2 | 68.1 | 0 | 0 | 0 | 111.6 | C313 Y316 G317 I320 M356 L357 L358 F362 F363 A364 | C313-L360 HydrophobicContact CB-CD1 3.75Å; C313-L360 HydrophobicContact CB-CG 4.35Å; C313-L360 WeakPolarHBondContact O-CD2 2.97Å; Y316-L360 HydrophobicContact CD2-CD1 4.03Å; Y316-L360 HydrophobicContact CG-CD1 4.19Å; Y316-L360 HydrophobicContact CG-CD2 4.2Å; G317-L360 VanDerWaalsContact N-CD2 3.27Å; I320-L360 HydrophobicContact CD1-CD2 3.97Å; M356-L360 WeakPolarHBondContact O-CB 3.42Å; M356-L360 PolarHBondContact O-N 3.05Å; L357-L360 PolarHBondContact O-N 3.49Å; L358-L360 VanDerWaalsContact C-N 3.34Å; L360-F362 VanDerWaalsContact C-N 3.35Å; L360-F362 PolarHBondContact O-N 3.41Å; L360-F363 PolarHBondContact O-N 2.96Å; L360-A364 WeakPolarHBondContact O-CB 3.41Å; L360-A364 PolarHBondContact O-N 3.48Å |
| 361 | C | 94.3 | Very high | 94.8 | Very high | 79 Ų | 79 | 32.8 Ų | 32.8 | 53% | 0.534 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.7 | -75.1 | 0 | 0 | 0 | 0 | 111.5 | L357 L358 F365 | L357-C361 VanDerWaalsContact O-CB 3.24Å; L357-C361 WeakPolarHBondContact O-CB 3.36Å; L357-C361 PolarHBondContact O-N 2.98Å; L357-C361 PolarHBondContact O-SG 2.9Å; L358-C361 PolarHBondContact O-N 3.47Å; C361-F365 VanDerWaalsContact O-CB 3.26Å; C361-F365 WeakPolarHBondContact O-CB 3.49Å; C361-F365 PolarHBondContact O-N 3.31Å |
| 362 | F | 96 | Very high | 94.9 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -56.7 | -52.3 | 172.4 | 168.7 | -92.9 | 0 | 0 | 0 | 111.3 | L358 L359 L360 L366 H367 Y385 W388 W401 | L358-F362 WeakPolarHBondContact O-CB 3.18Å; L358-F362 PolarHBondContact O-N 3.36Å; L359-F362 PolarHBondContact O-N 3.28Å; L360-F362 VanDerWaalsContact C-N 3.35Å; L360-F362 PolarHBondContact O-N 3.41Å; F362-L366 HydrophobicContact CD2-CB 4.25Å; F362-L366 HydrophobicContact CD2-CD1 3.45Å; F362-L366 VanDerWaalsContact CD2-CD1 3.45Å; F362-L366 HydrophobicContact CD2-CG 4.45Å; F362-L366 HydrophobicContact CE2-CB 4.28Å; F362-L366 HydrophobicContact CE2-CD1 3.84Å; F362-L366 HydrophobicContact CG-CD1 4.43Å; F362-L366 WeakPolarHBondContact O-CB 3.31Å; F362-L366 PolarHBondContact O-N 3.25Å; F362-H367 PolarHBondContact O-N 2.92Å; F362-Y385 HydrophobicContact CE2-CD1 4.14Å; F362-Y385 HydrophobicContact CE2-CD2 4.1Å; F362-Y385 AromaticContact CE2-CG 3.79Å; F362-Y385 HydrophobicContact CE2-CG 3.79Å; F362-Y385 HydrophobicContact CZ-CD1 4.03Å; F362-Y385 AromaticContact CZ-CD2 3.53Å; F362-Y385 HydrophobicContact CZ-CD2 3.53Å; F362-Y385 HydrophobicContact CZ-CE1 4.29Å; F362-Y385 AromaticContact CZ-CE2 3.78Å; F362-Y385 HydrophobicContact CZ-CE2 3.78Å; F362-Y385 AromaticContact CZ-CG 3.66Å; F362-Y385 HydrophobicContact CZ-CG 3.66Å; F362-W388 HydrophobicContact CD1-CZ2 4.36Å; F362-W388 HydrophobicContact CD2-CZ2 4.44Å; F362-W388 AromaticContact CD2-NE1 3.6Å; F362-W388 AromaticContact CE1-NE1 3.71Å; F362-W388 AromaticContact CE2-CD1 3.66Å; F362-W388 AromaticContact CE2-NE1 3.04Å; F362-W388 HydrophobicContact CG-CZ2 4.36Å; F362-W388 AromaticContact CZ-CD1 3.87Å; F362-W388 AromaticContact CZ-NE1 3.11Å; F362-W401 HydrophobicContact CB-CH2 3.61Å; F362-W401 HydrophobicContact CB-CZ2 3.89Å; F362-W401 HydrophobicContact CB-CZ3 4.42Å; F362-W401 HydrophobicContact CD2-CD2 4.37Å; F362-W401 HydrophobicContact CD2-CE3 4.24Å; F362-W401 AromaticContact CD2-CH2 3.85Å; F362-W401 HydrophobicContact CD2-CH2 3.85Å; F362-W401 AromaticContact CD2-CZ2 3.98Å; F362-W401 HydrophobicContact CD2-CZ2 3.98Å; F362-W401 HydrophobicContact CD2-CZ3 4.02Å; F362-W401 HydrophobicContact CG-CH2 4Å; F362-W401 HydrophobicContact CG-CZ2 4.37Å; F362-W401 HydrophobicContact CG-CZ3 4.38Å |
| 363 | F | 95.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 29.5 Ų | 29.5 | 13% | 0.127 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -67.5 | -41.9 | -177.7 | -178.7 | -103.3 | 0 | 0 | 0 | 112.8 | L109 F113 Y122 K309 L359 L360 H367 C368 | L109-F363 HydrophobicContact CD2-CD2 3.51Å; L109-F363 HydrophobicContact CD2-CE2 3.55Å; F113-F363 AromaticContact CE2-CE2 3.73Å; F113-F363 HydrophobicContact CE2-CE2 3.73Å; F113-F363 HydrophobicContact CE2-CZ 4.35Å; F113-F363 HydrophobicContact CZ-CD2 4.49Å; F113-F363 AromaticContact CZ-CE2 3.68Å; F113-F363 HydrophobicContact CZ-CE2 3.68Å; F113-F363 HydrophobicContact CZ-CZ 4.37Å; Y122-F363 HydrophobicContact CD2-CZ 4.33Å; Y122-F363 HydrophobicContact CE2-CE1 4.17Å; Y122-F363 AromaticContact CE2-CZ 3.74Å; Y122-F363 HydrophobicContact CE2-CZ 3.74Å; K309-F363 HydrophobicContact CD-CZ 4.28Å; L359-F363 WeakPolarHBondContact O-CB 3.33Å; L359-F363 PolarHBondContact O-N 3.48Å; L360-F363 PolarHBondContact O-N 2.96Å; F363-H367 HydrophobicContact CD2-CB 4.27Å; F363-H367 AromaticContact CD2-CD2 3.77Å; F363-H367 AromaticContact CE2-CD2 3.31Å; F363-H367 WeakPolarHBondContact CE2-CD2 3.33Å; F363-H367 AromaticContact CE2-NE2 3.94Å; F363-H367 AromaticContact CZ-CD2 3.94Å; F363-H367 WeakPolarHBondContact O-CB 3.25Å; F363-C368 VanDerWaalsContact CE1-SG 3.5Å; F363-C368 PolarHBondContact O-N 3.38Å; F363-C368 PolarHBondContact O-SG 3.47Å |
| 364 | A | 96 | Very high | 95.3 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 17% | 0.174 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -68.8 | -46.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | C313 L360 C368 W369 | C313-A364 HydrophobicContact CB-CB 3.66Å; L360-A364 WeakPolarHBondContact O-CB 3.41Å; L360-A364 PolarHBondContact O-N 3.48Å; A364-C368 WeakPolarHBondContact O-CB 3.35Å; A364-W369 WeakPolarHBondContact O-CB 3.21Å; A364-W369 PolarHBondContact O-N 2.95Å |
| 365 | F | 95 | Very high | 95.4 | Very high | 108 Ų | 108 | 29.3 Ų | 29.3 | 47% | 0.474 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -87.6 | -62.9 | -175.3 | -173.6 | -106.1 | 0 | 0 | 0 | 112.4 | C361 H367 W369 L370 | C361-F365 VanDerWaalsContact O-CB 3.26Å; C361-F365 WeakPolarHBondContact O-CB 3.49Å; C361-F365 PolarHBondContact O-N 3.31Å; F365-H367 PolarHBondContact O-N 3.49Å; F365-W369 HydrophobicContact CD2-CB 4.29Å; F365-W369 AromaticContact CD2-CD1 3.94Å; F365-W369 HydrophobicContact CD2-CG 4.21Å; F365-W369 AromaticContact CE2-CD1 3.76Å; F365-W369 HydrophobicContact CE2-CG 4.46Å; F365-W369 WeakPolarHBondContact O-CB 3.39Å; F365-W369 PolarHBondContact O-N 3.25Å; F365-L370 PolarHBondContact O-N 3.21Å; F365-L370 VanDerWaalsContact O-N 3.13Å |
| 366 | L | 95.5 | Very high | 95.5 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -69.6 | -34.2 | -172 | -71.9 | 164.7 | 0 | 0 | 0 | 112.8 | F362 L370 Y385 N402 | F362-L366 HydrophobicContact CD2-CB 4.25Å; F362-L366 HydrophobicContact CD2-CD1 3.45Å; F362-L366 VanDerWaalsContact CD2-CD1 3.45Å; F362-L366 HydrophobicContact CD2-CG 4.45Å; F362-L366 HydrophobicContact CE2-CB 4.28Å; F362-L366 HydrophobicContact CE2-CD1 3.84Å; F362-L366 HydrophobicContact CG-CD1 4.43Å; F362-L366 WeakPolarHBondContact O-CB 3.31Å; F362-L366 PolarHBondContact O-N 3.25Å; L366-L370 HydrophobicContact CD2-CD1 3.95Å; L366-Y385 HydrophobicContact CB-CD1 4.02Å; L366-Y385 HydrophobicContact CB-CE1 4.47Å; L366-N402 HydrophobicContact CD1-CB 4.28Å; L366-N402 HydrophobicContact CD2-CB 4.08Å |
| 367 | H | 95.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -91.3 | -67.1 | 176.1 | 179.3 | 71.1 | 0 | 0 | 0 | 111.9 | L109 D110 F113 F362 F363 F365 N371 Y385 | L109-H367 HydrophobicContact CD2-CB 4.37Å; D110-H367 IonicContact OD1-CE1 3.3Å; D110-H367 PolarHBondContact OD1-CE1 2.95Å; D110-H367 IonicContact OD1-NE2 3.93Å; F113-H367 AromaticContact CE2-NE2 3.97Å; F362-H367 PolarHBondContact O-N 2.92Å; F363-H367 HydrophobicContact CD2-CB 4.27Å; F363-H367 AromaticContact CD2-CD2 3.77Å; F363-H367 AromaticContact CE2-CD2 3.31Å; F363-H367 WeakPolarHBondContact CE2-CD2 3.33Å; F363-H367 AromaticContact CE2-NE2 3.94Å; F363-H367 AromaticContact CZ-CD2 3.94Å; F363-H367 WeakPolarHBondContact O-CB 3.25Å; F365-H367 PolarHBondContact O-N 3.49Å; H367-N371 PolarHBondContact ND1-ND2 3.49Å; H367-N371 WeakPolarHBondContact O-CB 3.32Å; H367-N371 PolarHBondContact O-N 3.45Å; H367-N371 VanDerWaalsContact O-N 3.12Å; H367-N371 PolarHBondContact O-ND2 3.03Å; H367-Y385 HydrophobicContact CB-CE1 3.96Å; H367-Y385 AromaticContact ND1-CZ 3.94Å; H367-Y385 PolarHBondContact ND1-OH 3.24Å |
| 368 | C | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -70.2 | -50.6 | -169.6 | -59.1 | 0 | 0 | 0 | 0 | 113 | T306 I310 F363 A364 N371 L372 | T306-C368 HydrophobicContact CG2-CB 3.92Å; T306-C368 WeakPolarHBondContact CG2-O 3.28Å; I310-C368 HydrophobicContact CD1-CB 4.18Å; I310-C368 HydrophobicContact CG1-CB 3.58Å; F363-C368 VanDerWaalsContact CE1-SG 3.5Å; F363-C368 PolarHBondContact O-N 3.38Å; F363-C368 PolarHBondContact O-SG 3.47Å; A364-C368 WeakPolarHBondContact O-CB 3.35Å; C368-N371 PolarHBondContact O-N 3.07Å; C368-L372 VanDerWaalsContact O-CB 3.31Å; C368-L372 WeakPolarHBondContact O-CB 3.2Å; C368-L372 PolarHBondContact O-N 3.48Å |
| 369 | W | 96.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 35.1 Ų | 35.1 | 39% | 0.394 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -65.6 | -48.6 | -176.5 | -175.9 | -97.5 | 0 | 0 | 0 | 112.4 | I310 A364 F365 N371 L372 F373 | I310-W369 HydrophobicContact CD1-CE3 4.08Å; A364-W369 WeakPolarHBondContact O-CB 3.21Å; A364-W369 PolarHBondContact O-N 2.95Å; F365-W369 HydrophobicContact CD2-CB 4.29Å; F365-W369 AromaticContact CD2-CD1 3.94Å; F365-W369 HydrophobicContact CD2-CG 4.21Å; F365-W369 AromaticContact CE2-CD1 3.76Å; F365-W369 HydrophobicContact CE2-CG 4.46Å; F365-W369 WeakPolarHBondContact O-CB 3.39Å; F365-W369 PolarHBondContact O-N 3.25Å; W369-N371 PolarHBondContact O-N 3.27Å; W369-L372 WeakPolarHBondContact O-CB 3.41Å; W369-L372 PolarHBondContact O-N 2.91Å; W369-F373 HydrophobicContact CD2-CD2 4.24Å; W369-F373 AromaticContact CD2-CE2 3.93Å; W369-F373 HydrophobicContact CD2-CE2 3.93Å; W369-F373 AromaticContact CE2-CD2 3.9Å; W369-F373 AromaticContact CE2-CE2 3.34Å; W369-F373 HydrophobicContact CE3-CE2 4.41Å; W369-F373 HydrophobicContact CG-CD2 4.44Å; W369-F373 AromaticContact CH2-CE2 3.87Å; W369-F373 HydrophobicContact CH2-CE2 3.87Å; W369-F373 HydrophobicContact CH2-CZ 4.4Å; W369-F373 HydrophobicContact CZ2-CD2 4.32Å; W369-F373 AromaticContact CZ2-CE2 3.33Å; W369-F373 HydrophobicContact CZ2-CE2 3.33Å; W369-F373 AromaticContact CZ2-CZ 3.86Å; W369-F373 HydrophobicContact CZ2-CZ 3.86Å; W369-F373 HydrophobicContact CZ3-CE2 4.37Å; W369-F373 AromaticContact NE1-CD2 3.85Å; W369-F373 AromaticContact NE1-CE2 3.67Å; W369-F373 WeakPolarHBondContact O-CD2 3.32Å; W369-F373 PolarHBondContact O-N 3Å; W369-F373 VanDerWaalsContact O-N 3.1Å |
| 370 | L | 96.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 9% | 0.094 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.1 | -36 | 178.6 | -62.5 | -175.8 | 0 | 0 | 0 | 112.7 | P284 F365 L366 G374 F384 V404 | P284-L370 HydrophobicContact CB-CB 4.09Å; P284-L370 HydrophobicContact CB-CD2 3.82Å; P284-L370 HydrophobicContact CB-CG 4.47Å; F365-L370 PolarHBondContact O-N 3.21Å; F365-L370 VanDerWaalsContact O-N 3.13Å; L366-L370 HydrophobicContact CD2-CD1 3.95Å; L370-G374 PolarHBondContact O-N 2.7Å; L370-F384 HydrophobicContact CB-CD1 4.34Å; L370-F384 HydrophobicContact CB-CD2 3.53Å; L370-F384 HydrophobicContact CB-CE1 4.38Å; L370-F384 HydrophobicContact CB-CE2 3.58Å; L370-F384 HydrophobicContact CB-CG 3.93Å; L370-F384 HydrophobicContact CB-CZ 4.03Å; L370-F384 HydrophobicContact CD1-CB 3.74Å; L370-F384 HydrophobicContact CD1-CD1 4.01Å; L370-F384 HydrophobicContact CD1-CD2 4.13Å; L370-F384 HydrophobicContact CD1-CG 3.68Å; L370-F384 HydrophobicContact CG-CD2 4.5Å; L370-F384 HydrophobicContact CG-CG 4.48Å; L370-V404 HydrophobicContact CD1-CG2 4.36Å |
| 371 | N | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.8 | -32.5 | 173.5 | -81.8 | -64.3 | 0 | 0 | 0 | 113.3 | S107 Y302 H367 C368 W369 G374 E375 R382 | S107-N371 PolarHBondContact OG-ND2 3.33Å; S107-N371 PolarHBondContact OG-OD1 3.17Å; S107-N371 VanDerWaalsContact OG-OD1 3.08Å; Y302-N371 HydrophobicContact CE1-CB 4.21Å; Y302-N371 WeakPolarHBondContact OH-CB 3.49Å; H367-N371 PolarHBondContact ND1-ND2 3.49Å; H367-N371 WeakPolarHBondContact O-CB 3.32Å; H367-N371 PolarHBondContact O-N 3.45Å; H367-N371 VanDerWaalsContact O-N 3.12Å; H367-N371 PolarHBondContact O-ND2 3.03Å; C368-N371 PolarHBondContact O-N 3.07Å; W369-N371 PolarHBondContact O-N 3.27Å; N371-G374 PolarHBondContact O-N 3.38Å; N371-E375 WeakPolarHBondContact O-CB 3.06Å; N371-E375 PolarHBondContact O-N 3.36Å; N371-R382 WeakPolarHBondContact OD1-CD 3.14Å |
| 372 | L | 96.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 6% | 0.058 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.3 | -53.7 | 173 | 177.7 | 67.1 | 0 | 0 | 0 | 110.1 | V303 T306 L307 I310 C368 W369 G374 E375 L376 | V303-L372 HydrophobicContact CB-CD1 4.34Å; V303-L372 HydrophobicContact CG1-CD1 3.67Å; T306-L372 HydrophobicContact CG2-CB 4.07Å; L307-L372 HydrophobicContact CD1-CD2 4.37Å; I310-L372 HydrophobicContact CD1-CB 4.3Å; I310-L372 HydrophobicContact CD1-CD2 3.7Å; C368-L372 VanDerWaalsContact O-CB 3.31Å; C368-L372 WeakPolarHBondContact O-CB 3.2Å; C368-L372 PolarHBondContact O-N 3.48Å; W369-L372 WeakPolarHBondContact O-CB 3.41Å; W369-L372 PolarHBondContact O-N 2.91Å; L372-G374 VanDerWaalsContact C-N 3.3Å; L372-G374 PolarHBondContact O-N 3.44Å; L372-E375 PolarHBondContact O-N 2.91Å; L372-L376 HydrophobicContact CD1-CD1 4.12Å; L372-L376 HydrophobicContact CD1-CG 4.4Å; L372-L376 HydrophobicContact CG-CD1 4Å; L372-L376 WeakPolarHBondContact O-CB 3.4Å; L372-L376 VanDerWaalsContact O-CG 3.3Å; L372-L376 WeakPolarHBondContact O-CG 3.17Å; L372-L376 PolarHBondContact O-N 2.98Å |
| 373 | F | 96.2 | Very high | 95.4 | Very high | 57 Ų | 57 | 30.4 Ų | 30.4 | 25% | 0.25 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64 | -36.5 | 176 | -83.8 | -93.5 | 0 | 0 | 0 | 112.1 | W369 E375 L377 | W369-F373 HydrophobicContact CD2-CD2 4.24Å; W369-F373 AromaticContact CD2-CE2 3.93Å; W369-F373 HydrophobicContact CD2-CE2 3.93Å; W369-F373 AromaticContact CE2-CD2 3.9Å; W369-F373 AromaticContact CE2-CE2 3.34Å; W369-F373 HydrophobicContact CE3-CE2 4.41Å; W369-F373 HydrophobicContact CG-CD2 4.44Å; W369-F373 AromaticContact CH2-CE2 3.87Å; W369-F373 HydrophobicContact CH2-CE2 3.87Å; W369-F373 HydrophobicContact CH2-CZ 4.4Å; W369-F373 HydrophobicContact CZ2-CD2 4.32Å; W369-F373 AromaticContact CZ2-CE2 3.33Å; W369-F373 HydrophobicContact CZ2-CE2 3.33Å; W369-F373 AromaticContact CZ2-CZ 3.86Å; W369-F373 HydrophobicContact CZ2-CZ 3.86Å; W369-F373 HydrophobicContact CZ3-CE2 4.37Å; W369-F373 AromaticContact NE1-CD2 3.85Å; W369-F373 AromaticContact NE1-CE2 3.67Å; W369-F373 WeakPolarHBondContact O-CD2 3.32Å; W369-F373 PolarHBondContact O-N 3Å; W369-F373 VanDerWaalsContact O-N 3.1Å; F373-E375 PolarHBondContact O-N 3.47Å; F373-L377 HydrophobicContact CD1-CD1 4.45Å; F373-L377 VanDerWaalsContact O-CB 3.26Å; F373-L377 WeakPolarHBondContact O-CB 3.21Å; F373-L377 VanDerWaalsContact O-CG 3.31Å; F373-L377 WeakPolarHBondContact O-CG 2.95Å; F373-L377 PolarHBondContact O-N 3.42Å |
| 374 | G | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L370 N371 L372 R378 F379 | L370-G374 PolarHBondContact O-N 2.7Å; N371-G374 PolarHBondContact O-N 3.38Å; L372-G374 VanDerWaalsContact C-N 3.3Å; L372-G374 PolarHBondContact O-N 3.44Å; G374-R378 CarbonylContact O-C 3.45Å; G374-R378 PolarHBondContact O-N 3.45Å; G374-F379 PolarHBondContact O-N 2.75Å |
| 375 | E | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.6 | -47.3 | 176.8 | -170.3 | 70.6 | -145.1 | 0 | 0 | 112 | I298 R299 Y302 V303 N371 L372 F373 L377 R378 R382 | I298-E375 HydrophobicContact CG2-CG 4.31Å; R299-E375 WeakPolarHBondContact CB-OE1 3.43Å; R299-E375 IonicContact CZ-OE2 2.9Å; R299-E375 PolarHBondContact N-OE1 3.36Å; R299-E375 IonicContact NE-OE1 3.25Å; R299-E375 PolarHBondContact NE-OE1 3.34Å; R299-E375 IonicContact NE-OE2 3.81Å; R299-E375 PolarHBondContact NE-OE2 2.94Å; R299-E375 IonicContact NH2-OE2 3.28Å; R299-E375 PolarHBondContact NH2-OE2 3.16Å; Y302-E375 HydrophobicContact CD1-CB 4.16Å; Y302-E375 HydrophobicContact CD1-CG 4.03Å; Y302-E375 HydrophobicContact CE1-CB 4.39Å; V303-E375 HydrophobicContact CG2-CB 4.18Å; V303-E375 HydrophobicContact CG2-CG 3.66Å; N371-E375 WeakPolarHBondContact O-CB 3.06Å; N371-E375 PolarHBondContact O-N 3.36Å; L372-E375 PolarHBondContact O-N 2.91Å; F373-E375 PolarHBondContact O-N 3.47Å; E375-L377 VanDerWaalsContact C-N 3.3Å; E375-L377 PolarHBondContact O-N 2.91Å; E375-R378 PolarHBondContact O-N 3.38Å; E375-R382 IonicContact OE2-CZ 2.85Å; E375-R382 VanDerWaalsContact OE2-CZ 3.26Å; E375-R382 IonicContact OE2-NH1 2.84Å; E375-R382 PolarHBondContact OE2-NH1 3.18Å; E375-R382 IonicContact OE2-NH2 3.27Å; E375-R382 PolarHBondContact OE2-NH2 3.32Å |
| 376 | L | 96.2 | Very high | 95.3 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 34% | 0.34 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -60.5 | -39.2 | -179.4 | -71.9 | 174.1 | 0 | 0 | 0 | 112.3 | W300 V303 L372 R378 | W300-L376 HydrophobicContact CZ3-CD2 4.21Å; V303-L376 HydrophobicContact CG1-CD2 3.91Å; V303-L376 HydrophobicContact CG1-CG 4.49Å; V303-L376 HydrophobicContact CG2-CD2 4.09Å; L372-L376 HydrophobicContact CD1-CD1 4.12Å; L372-L376 HydrophobicContact CD1-CG 4.4Å; L372-L376 HydrophobicContact CG-CD1 4Å; L372-L376 WeakPolarHBondContact O-CB 3.4Å; L372-L376 VanDerWaalsContact O-CG 3.3Å; L372-L376 WeakPolarHBondContact O-CG 3.17Å; L372-L376 PolarHBondContact O-N 2.98Å; L376-R378 VanDerWaalsContact C-N 3.31Å |
| 377 | L | 95.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 19% | 0.194 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -3.8 | 178.6 | -64 | 169 | 0 | 0 | 0 | 113 | Y279 F282 F373 E375 F379 | Y279-L377 HydrophobicContact CE2-CB 3.96Å; Y279-L377 HydrophobicContact CE2-CD2 4.37Å; Y279-L377 VanDerWaalsContact CE2-O 3.3Å; Y279-L377 WeakPolarHBondContact CE2-O 3.16Å; Y279-L377 PolarHBondContact OH-O 2.78Å; F282-L377 HydrophobicContact CB-CD1 3.72Å; F282-L377 HydrophobicContact CB-CD2 4.03Å; F282-L377 WeakPolarHBondContact O-CD1 3.5Å; F373-L377 HydrophobicContact CD1-CD1 4.45Å; F373-L377 VanDerWaalsContact O-CB 3.26Å; F373-L377 WeakPolarHBondContact O-CB 3.21Å; F373-L377 VanDerWaalsContact O-CG 3.31Å; F373-L377 WeakPolarHBondContact O-CG 2.95Å; F373-L377 PolarHBondContact O-N 3.42Å; E375-L377 VanDerWaalsContact C-N 3.3Å; E375-L377 PolarHBondContact O-N 2.91Å; L377-F379 PolarHBondContact O-N 3.3Å |
| 378 | R | 95.4 | Very high | 95.1 | Very high | 115 Ų | 115 | 30.6 Ų | 30.6 | 43% | 0.434 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 32.1 | -170.5 | -59.1 | 176.6 | -77.2 | -177.2 | -6.6 | 112.8 | R294 N295 I298 G374 E375 L376 | R294-R378 CarbonylContact C-O 3.52Å; R294-R378 WeakPolarHBondContact CA-O 3.47Å; N295-R378 HydrophobicContact CB-CB 4.31Å; N295-R378 PolarHBondContact N-O 3.45Å; I298-R378 HydrophobicContact CD1-CG 4.2Å; I298-R378 HydrophobicContact CG1-CG 3.54Å; G374-R378 CarbonylContact O-C 3.45Å; G374-R378 PolarHBondContact O-N 3.45Å; E375-R378 PolarHBondContact O-N 3.38Å; L376-R378 VanDerWaalsContact C-N 3.31Å |
| 379 | F | 95.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -78.4 | 125.8 | 173.8 | -177.3 | -111.1 | 0 | 0 | 0 | 110.8 | F102 P284 T285 Y292 G374 L377 D381 F384 | F102-F379 HydrophobicContact CD1-CE2 4.32Å; F102-F379 AromaticContact CD1-CZ 3.91Å; F102-F379 HydrophobicContact CD1-CZ 3.91Å; F102-F379 HydrophobicContact CE1-CZ 4.05Å; P284-F379 HydrophobicContact CG-CD1 3.64Å; P284-F379 HydrophobicContact CG-CE1 4.07Å; P284-F379 HydrophobicContact CG-CG 4.42Å; T285-F379 HydrophobicContact CG2-CE2 4.48Å; T285-F379 HydrophobicContact CG2-CZ 4.17Å; Y292-F379 HydrophobicContact CD1-CD2 4.42Å; Y292-F379 AromaticContact CD1-CE2 3.57Å; Y292-F379 HydrophobicContact CD1-CE2 3.57Å; Y292-F379 HydrophobicContact CD1-CZ 4.44Å; Y292-F379 HydrophobicContact CE1-CE2 4.27Å; Y292-F379 HydrophobicContact CG-CD2 4.25Å; Y292-F379 AromaticContact CG-CE2 3.84Å; Y292-F379 HydrophobicContact CG-CE2 3.84Å; G374-F379 PolarHBondContact O-N 2.75Å; L377-F379 PolarHBondContact O-N 3.3Å; F379-D381 WeakPolarHBondContact CD1-O 3.48Å; F379-D381 HydrophobicContact CE1-CB 4.02Å; F379-D381 WeakPolarHBondContact CE1-O 3.33Å; F379-D381 HydrophobicContact CE2-CB 4.49Å; F379-D381 HydrophobicContact CZ-CB 3.83Å; F379-F384 HydrophobicContact CE1-CE1 4.18Å |
| 380 | A | 92.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | trans | -94.8 | -19.5 | -169 | 0 | 0 | 0 | 0 | 0 | 115.1 | E104 R105 P293 N295 R382 | E104-A380 HydrophobicContact CB-CB 4.15Å; E104-A380 HydrophobicContact CG-CB 4.08Å; R105-A380 PolarHBondContact N-O 3.45Å; R105-A380 VanDerWaalsContact N-O 3.11Å; P293-A380 HydrophobicContact CB-CB 3.95Å; P293-A380 HydrophobicContact CG-CB 4.23Å; P293-A380 VanDerWaalsContact O-CB 3.24Å; P293-A380 WeakPolarHBondContact O-CB 3.38Å; P293-A380 PolarHBondContact O-N 3.36Å; N295-A380 WeakPolarHBondContact OD1-CA 3.37Å; N295-A380 WeakPolarHBondContact OD1-CB 3.43Å; A380-R382 PolarHBondContact O-N 3.22Å | ||
| 381 | D | 93.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -86.4 | 96.9 | 178.4 | -175.9 | -3.5 | 0 | 0 | 0 | 110.9 | F102 L103 R105 P293 F379 M383 | F102-D381 HydrophobicContact CB-CB 4.31Å; F102-D381 HydrophobicContact CD1-CB 3.96Å; F102-D381 WeakPolarHBondContact CD1-OD2 3.37Å; L103-D381 VanDerWaalsContact O-CA 3.25Å; L103-D381 WeakPolarHBondContact O-CA 3.39Å; L103-D381 VanDerWaalsContact O-CB 3.24Å; L103-D381 WeakPolarHBondContact O-CB 3.32Å; R105-D381 IonicContact CZ-OD1 3.52Å; R105-D381 IonicContact CZ-OD2 3.15Å; R105-D381 IonicContact NE-OD1 3.9Å; R105-D381 PolarHBondContact NE-OD1 3.44Å; R105-D381 IonicContact NE-OD2 2.87Å; R105-D381 IonicContact NH2-OD1 3.4Å; R105-D381 PolarHBondContact NH2-OD1 2.97Å; R105-D381 IonicContact NH2-OD2 2.7Å; R105-D381 PolarHBondContact NH2-OD2 2.95Å; P293-D381 HydrophobicContact CG-CB 4.36Å; F379-D381 WeakPolarHBondContact CD1-O 3.48Å; F379-D381 HydrophobicContact CE1-CB 4.02Å; F379-D381 WeakPolarHBondContact CE1-O 3.33Å; F379-D381 HydrophobicContact CE2-CB 4.49Å; F379-D381 HydrophobicContact CZ-CB 3.83Å; D381-M383 PolarHBondContact OD1-N 2.81Å |
| 382 | R | 93.1 | Very high | 93.7 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | trans | -102.9 | 21.7 | -174.2 | -56.4 | 177 | 177.6 | -153.2 | -1.3 | 114.5 | R105 S107 N295 N371 E375 A380 F384 | R105-R382 VanDerWaalsContact O-CB 3.31Å; R105-R382 WeakPolarHBondContact O-CB 3.43Å; R105-R382 PolarHBondContact O-N 3.46Å; S107-R382 WeakPolarHBondContact CA-O 3.17Å; S107-R382 WeakPolarHBondContact OG-CB 3.49Å; S107-R382 PolarHBondContact OG-O 2.96Å; N295-R382 PolarHBondContact ND2-NH2 3.36Å; N371-R382 WeakPolarHBondContact OD1-CD 3.14Å; E375-R382 IonicContact OE2-CZ 2.85Å; E375-R382 VanDerWaalsContact OE2-CZ 3.26Å; E375-R382 IonicContact OE2-NH1 2.84Å; E375-R382 PolarHBondContact OE2-NH1 3.18Å; E375-R382 IonicContact OE2-NH2 3.27Å; E375-R382 PolarHBondContact OE2-NH2 3.32Å; A380-R382 PolarHBondContact O-N 3.22Å; R382-F384 VanDerWaalsContact C-N 3.34Å; R382-F384 HydrophobicContact CB-CE2 4.16Å; R382-F384 HydrophobicContact CB-CZ 4.42Å; R382-F384 PolarHBondContact O-N 3.26Å; R382-F384 VanDerWaalsContact O-N 3.1Å | ||
| 383 | M | 93.1 | Very high | 93.2 | Very high | 50 Ų | 50 | 32.1 Ų | 32.1 | 25% | 0.246 | 15% | 0.151 | C | C | . | . | trans | -85.1 | 78.5 | 173.4 | -174.6 | -174.7 | -79.4 | 0 | 0 | 110.6 | R105 D381 K386 | R105-M383 HydrophobicContact CG-CB 4.39Å; R105-M383 VanDerWaalsContact NH1-CE 3.27Å; R105-M383 PolarHBondContact NH1-SD 2.83Å; D381-M383 PolarHBondContact OD1-N 2.81Å; M383-K386 HydrophobicContact CG-CG 4.32Å; M383-K386 HydrophobicContact SD-CD 4.38Å; M383-K386 WeakPolarHBondContact SD-CE 3.43Å; M383-K386 HydrophobicContact SD-CG 4.12Å | ||
| 384 | F | 94.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -84 | -20.4 | 175.2 | -51.2 | -53.8 | 0 | 0 | 0 | 113 | P284 L370 F379 R382 V403 V404 | P284-F384 HydrophobicContact CB-CE1 3.74Å; P284-F384 HydrophobicContact CB-CZ 3.85Å; P284-F384 HydrophobicContact CG-CE1 3.72Å; P284-F384 HydrophobicContact CG-CZ 3.59Å; P284-F384 VanDerWaalsContact O-CE1 3.27Å; P284-F384 WeakPolarHBondContact O-CE1 3.29Å; L370-F384 HydrophobicContact CB-CD1 4.34Å; L370-F384 HydrophobicContact CB-CD2 3.53Å; L370-F384 HydrophobicContact CB-CE1 4.38Å; L370-F384 HydrophobicContact CB-CE2 3.58Å; L370-F384 HydrophobicContact CB-CG 3.93Å; L370-F384 HydrophobicContact CB-CZ 4.03Å; L370-F384 HydrophobicContact CD1-CB 3.74Å; L370-F384 HydrophobicContact CD1-CD1 4.01Å; L370-F384 HydrophobicContact CD1-CD2 4.13Å; L370-F384 HydrophobicContact CD1-CG 3.68Å; L370-F384 HydrophobicContact CG-CD2 4.5Å; L370-F384 HydrophobicContact CG-CG 4.48Å; F379-F384 HydrophobicContact CE1-CE1 4.18Å; R382-F384 VanDerWaalsContact C-N 3.34Å; R382-F384 HydrophobicContact CB-CE2 4.16Å; R382-F384 HydrophobicContact CB-CZ 4.42Å; R382-F384 PolarHBondContact O-N 3.26Å; R382-F384 VanDerWaalsContact O-N 3.1Å; F384-V403 WeakPolarHBondContact O-CB 3.43Å; F384-V403 PolarHBondContact O-N 3.36Å; F384-V404 HydrophobicContact CB-CG2 4.12Å; F384-V404 HydrophobicContact CD1-CG2 3.68Å; F384-V404 HydrophobicContact CG-CG2 4.35Å |
| 385 | Y | 95.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | trans | -152.3 | 164.8 | 178.8 | 54.7 | -90.1 | 0 | 0 | 0 | 109.4 | L108 L109 F362 L366 H367 T400 W401 | L108-Y385 HydrophobicContact CB-CE2 4.28Å; L109-Y385 HydrophobicContact CB-CE2 4.02Å; L109-Y385 WeakPolarHBondContact CB-OH 2.91Å; F362-Y385 HydrophobicContact CE2-CD1 4.14Å; F362-Y385 HydrophobicContact CE2-CD2 4.1Å; F362-Y385 AromaticContact CE2-CG 3.79Å; F362-Y385 HydrophobicContact CE2-CG 3.79Å; F362-Y385 HydrophobicContact CZ-CD1 4.03Å; F362-Y385 AromaticContact CZ-CD2 3.53Å; F362-Y385 HydrophobicContact CZ-CD2 3.53Å; F362-Y385 HydrophobicContact CZ-CE1 4.29Å; F362-Y385 AromaticContact CZ-CE2 3.78Å; F362-Y385 HydrophobicContact CZ-CE2 3.78Å; F362-Y385 AromaticContact CZ-CG 3.66Å; F362-Y385 HydrophobicContact CZ-CG 3.66Å; L366-Y385 HydrophobicContact CB-CD1 4.02Å; L366-Y385 HydrophobicContact CB-CE1 4.47Å; H367-Y385 HydrophobicContact CB-CE1 3.96Å; H367-Y385 AromaticContact ND1-CZ 3.94Å; H367-Y385 PolarHBondContact ND1-OH 3.24Å; Y385-T400 WeakPolarHBondContact CA-O 3.38Å; Y385-W401 VanDerWaalsContact CB-O 3.26Å; Y385-W401 WeakPolarHBondContact CB-O 3.24Å | ||
| 386 | K | 93.9 | Very high | 91.8 | Very high | 91 Ų | 91 | 32.8 Ų | 32.8 | 40% | 0.396 | 16% | 0.157 | S | C | . | . | trans | -119.4 | -168.3 | 171.4 | -62.9 | -178.9 | -179.1 | 175.7 | 0 | 109.8 | M383 W388 T400 V403 | M383-K386 HydrophobicContact CG-CG 4.32Å; M383-K386 HydrophobicContact SD-CD 4.38Å; M383-K386 WeakPolarHBondContact SD-CE 3.43Å; M383-K386 HydrophobicContact SD-CG 4.12Å; K386-W388 PolarHBondContact O-N 3.32Å; K386-T400 HydrophobicContact CB-CG2 3.91Å; K386-T400 HydrophobicContact CD-CG2 4.2Å; K386-T400 PolarHBondContact N-O 3.09Å; K386-V403 HydrophobicContact CG-CG2 4.26Å | ||
| 387 | D | 92.8 | Very high | 91.5 | Very high | 70 Ų | 70 | 30.6 Ų | 30.6 | 37% | 0.374 | 14% | 0.144 | S | C | . | . | trans | -73 | 58.7 | 179.8 | 60.1 | -35.7 | 0 | 0 | 0 | 112.8 | L108 W389 N390 | L108-D387 HydrophobicContact CD2-CB 3.96Å; L108-D387 VanDerWaalsContact CD2-N 3.34Å; D387-W389 HydrophobicContact CB-CZ2 3.93Å; D387-W389 PolarHBondContact O-N 2.93Å; D387-W389 VanDerWaalsContact O-N 3.13Å; D387-N390 PolarHBondContact O-N 2.94Å; D387-N390 PolarHBondContact OD2-ND2 2.99Å | ||
| 388 | W | 93.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -59.6 | -27.5 | -176.5 | 63 | -97.5 | 0 | 0 | 0 | 113.1 | L359 F362 K386 N390 S391 Y397 T400 W401 W485 L488 | L359-W388 HydrophobicContact CD2-CH2 3.72Å; L359-W388 HydrophobicContact CD2-CZ2 4.05Å; F362-W388 HydrophobicContact CD1-CZ2 4.36Å; F362-W388 HydrophobicContact CD2-CZ2 4.44Å; F362-W388 AromaticContact CD2-NE1 3.6Å; F362-W388 AromaticContact CE1-NE1 3.71Å; F362-W388 AromaticContact CE2-CD1 3.66Å; F362-W388 AromaticContact CE2-NE1 3.04Å; F362-W388 HydrophobicContact CG-CZ2 4.36Å; F362-W388 AromaticContact CZ-CD1 3.87Å; F362-W388 AromaticContact CZ-NE1 3.11Å; K386-W388 PolarHBondContact O-N 3.32Å; W388-N390 PolarHBondContact O-N 2.85Å; W388-S391 WeakPolarHBondContact O-CB 3.21Å; W388-S391 PolarHBondContact O-N 2.87Å; W388-S391 VanDerWaalsContact O-N 3.09Å; W388-S391 PolarHBondContact O-OG 3.48Å; W388-Y397 HydrophobicContact CB-CD2 4.37Å; W388-Y397 HydrophobicContact CD2-CE2 4.38Å; W388-Y397 AromaticContact CE3-CD2 3.97Å; W388-Y397 HydrophobicContact CE3-CD2 3.97Å; W388-Y397 AromaticContact CE3-CE2 3.64Å; W388-Y397 HydrophobicContact CE3-CE2 3.64Å; W388-Y397 HydrophobicContact CZ3-CE2 4.18Å; W388-T400 VanDerWaalsContact CA-OG1 3.29Å; W388-T400 WeakPolarHBondContact CA-OG1 3.41Å; W388-T400 VanDerWaalsContact CB-OG1 3.28Å; W388-T400 WeakPolarHBondContact CB-OG1 3.35Å; W388-W401 HydrophobicContact CB-CB 4.46Å; W388-W401 AromaticContact CD2-CE3 3.42Å; W388-W401 HydrophobicContact CD2-CE3 3.42Å; W388-W401 VanDerWaalsContact CD2-CE3 3.42Å; W388-W401 AromaticContact CD2-CZ3 3.7Å; W388-W401 HydrophobicContact CD2-CZ3 3.7Å; W388-W401 AromaticContact CE2-CE3 3.54Å; W388-W401 AromaticContact CE2-CZ3 3.42Å; W388-W401 VanDerWaalsContact CE2-CZ3 3.42Å; W388-W401 AromaticContact CE3-CE3 3.7Å; W388-W401 HydrophobicContact CE3-CE3 3.7Å; W388-W401 AromaticContact CE3-CZ3 3.8Å; W388-W401 HydrophobicContact CE3-CZ3 3.8Å; W388-W401 AromaticContact CG-CE3 3.86Å; W388-W401 HydrophobicContact CG-CE3 3.86Å; W388-W401 HydrophobicContact CH2-CE3 4.21Å; W388-W401 HydrophobicContact CH2-CH2 4.41Å; W388-W401 AromaticContact CH2-CZ3 3.46Å; W388-W401 HydrophobicContact CH2-CZ3 3.46Å; W388-W401 VanDerWaalsContact CH2-CZ3 3.46Å; W388-W401 AromaticContact CZ2-CE3 3.96Å; W388-W401 HydrophobicContact CZ2-CE3 3.96Å; W388-W401 HydrophobicContact CZ2-CH2 4.2Å; W388-W401 AromaticContact CZ2-CZ3 3.32Å; W388-W401 HydrophobicContact CZ2-CZ3 3.32Å; W388-W401 HydrophobicContact CZ3-CE3 4.08Å; W388-W401 AromaticContact CZ3-CZ3 3.69Å; W388-W401 HydrophobicContact CZ3-CZ3 3.69Å; W388-W401 AromaticContact NE1-CE3 3.92Å; W388-W485 AromaticContact CH2-CH2 3.51Å; W388-W485 HydrophobicContact CH2-CH2 3.51Å; W388-W485 HydrophobicContact CH2-CZ2 4.29Å; W388-W485 HydrophobicContact CH2-CZ3 4.19Å; W388-W485 AromaticContact CZ3-CH2 3.39Å; W388-W485 HydrophobicContact CZ3-CH2 3.39Å; W388-W485 AromaticContact CZ3-CZ2 3.88Å; W388-W485 HydrophobicContact CZ3-CZ2 3.88Å; W388-W485 AromaticContact CZ3-CZ3 3.99Å; W388-W485 HydrophobicContact CZ3-CZ3 3.99Å; W388-L488 HydrophobicContact CZ3-CD2 4.27Å |
| 389 | W | 92.3 | Very high | 91 | Very high | 54 Ų | 54 | 30.3 Ų | 30.3 | 21% | 0.205 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -64.7 | -24.2 | 176.9 | 52.5 | 85.3 | 0 | 0 | 0 | 113.6 | L108 L109 L112 D387 S391 N481 W485 | L108-W389 HydrophobicContact CD2-CH2 3.79Å; L108-W389 HydrophobicContact CD2-CZ2 4.1Å; L108-W389 HydrophobicContact CG-CH2 4.4Å; L109-W389 HydrophobicContact CD1-CH2 4.19Å; L109-W389 HydrophobicContact CD1-CZ3 4.43Å; L112-W389 HydrophobicContact CD2-CH2 4.27Å; L112-W389 HydrophobicContact CD2-CZ2 3.65Å; D387-W389 HydrophobicContact CB-CZ2 3.93Å; D387-W389 PolarHBondContact O-N 2.93Å; D387-W389 VanDerWaalsContact O-N 3.13Å; W389-S391 VanDerWaalsContact C-N 3.3Å; W389-N481 PolarHBondContact O-ND2 3.44Å; W389-W485 HydrophobicContact CB-CH2 4.41Å; W389-W485 HydrophobicContact CB-CZ2 3.64Å; W389-W485 PolarHBondContact O-NE1 3.28Å |
| 390 | N | 90.7 | Very high | 90.9 | Very high | 94 Ų | 94 | 30.5 Ų | 30.5 | 50% | 0.503 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -87.8 | 4 | 175.7 | -69 | -26.2 | 0 | 0 | 0 | 112.9 | D387 W388 T392 | D387-N390 PolarHBondContact O-N 2.94Å; D387-N390 PolarHBondContact OD2-ND2 2.99Å; W388-N390 PolarHBondContact O-N 2.85Å; N390-T392 PolarHBondContact O-N 2.95Å |
| 391 | S | 87.9 | Confident | 90.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -67 | 129.5 | -176 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | W388 W389 N396 Y397 N481 | W388-S391 WeakPolarHBondContact O-CB 3.21Å; W388-S391 PolarHBondContact O-N 2.87Å; W388-S391 VanDerWaalsContact O-N 3.09Å; W388-S391 PolarHBondContact O-OG 3.48Å; W389-S391 VanDerWaalsContact C-N 3.3Å; S391-N396 PolarHBondContact OG-ND2 3.45Å; S391-Y397 PolarHBondContact OG-N 2.86Å; S391-N481 PolarHBondContact O-ND2 3.16Å | ||
| 392 | T | 86.6 | Confident | 91 | Very high | 17 Ų | 17 | 34 Ų | 34 | 10% | 0.104 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -92 | -12.3 | 173.3 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | N390 Q476 F480 | N390-T392 PolarHBondContact O-N 2.95Å; T392-Q476 PolarHBondContact OG1-OE1 3.36Å; T392-F480 WeakPolarHBondContact O-CB 3.32Å |
| 393 | S | 86.9 | Confident | 91.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -132.2 | 152.8 | 178.2 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | A395 N396 Y397 M471 D473 | S393-A395 VanDerWaalsContact C-N 3.26Å; S393-A395 PolarHBondContact O-N 2.98Å; S393-N396 PolarHBondContact O-N 3.21Å; S393-N396 VanDerWaalsContact OG-CB 3.31Å; S393-N396 WeakPolarHBondContact OG-CB 3.39Å; S393-N396 PolarHBondContact OG-N 2.77Å; S393-Y397 PolarHBondContact O-N 3.24Å; S393-M471 VanDerWaalsContact CB-O 3.28Å; S393-M471 WeakPolarHBondContact CB-O 3.44Å; S393-D473 WeakPolarHBondContact CB-OD1 3.43Å; S393-D473 PolarHBondContact OG-OD1 3.33Å |
| 394 | F | 85.3 | Confident | 91.3 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.6 | -31.7 | 172.4 | -85.5 | -85.7 | 0 | 0 | 0 | 112 | N396 Y397 Y398 F467 M471 M484 C487 | F394-N396 PolarHBondContact O-N 3.43Å; F394-Y397 HydrophobicContact CD1-CD1 4.5Å; F394-Y397 WeakPolarHBondContact O-CB 3.18Å; F394-Y397 PolarHBondContact O-N 3.5Å; F394-Y398 HydrophobicContact CB-CD2 4.48Å; F394-Y398 HydrophobicContact CB-CE2 4.09Å; F394-Y398 HydrophobicContact CD1-CE2 4.28Å; F394-Y398 WeakPolarHBondContact O-CD2 3.48Å; F394-Y398 PolarHBondContact O-N 2.95Å; F394-F467 HydrophobicContact CB-CB 4.33Å; F394-F467 HydrophobicContact CD2-CB 3.43Å; F394-F467 VanDerWaalsContact CD2-CB 3.43Å; F394-F467 HydrophobicContact CD2-CD2 4.24Å; F394-F467 HydrophobicContact CD2-CG 4.05Å; F394-F467 HydrophobicContact CE1-CD2 4.27Å; F394-F467 HydrophobicContact CE2-CB 3.77Å; F394-F467 AromaticContact CE2-CD2 3.74Å; F394-F467 HydrophobicContact CE2-CD2 3.74Å; F394-F467 HydrophobicContact CE2-CE2 4.49Å; F394-F467 AromaticContact CE2-CG 3.83Å; F394-F467 HydrophobicContact CE2-CG 3.83Å; F394-F467 HydrophobicContact CG-CB 3.86Å; F394-F467 HydrophobicContact CZ-CB 4.48Å; F394-F467 AromaticContact CZ-CD2 3.76Å; F394-F467 HydrophobicContact CZ-CD2 3.76Å; F394-F467 HydrophobicContact CZ-CE2 4.32Å; F394-F467 HydrophobicContact CZ-CG 4.33Å; F394-M471 HydrophobicContact CD2-SD 3.63Å; F394-M471 HydrophobicContact CE2-SD 3.64Å; F394-M484 HydrophobicContact CE1-CG 4.5Å; F394-M484 HydrophobicContact CE2-CG 4.26Å; F394-M484 HydrophobicContact CZ-CG 4.22Å; F394-C487 HydrophobicContact CE2-CB 4.27Å; F394-C487 HydrophobicContact CZ-CB 3.73Å |
| 395 | A | 85.3 | Confident | 91.3 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | S393 R399 N468 | S393-A395 VanDerWaalsContact C-N 3.26Å; S393-A395 PolarHBondContact O-N 2.98Å; A395-R399 VanDerWaalsContact O-CG 3.25Å; A395-R399 WeakPolarHBondContact O-CG 3.49Å; A395-R399 PolarHBondContact O-N 2.9Å; A395-N468 VanDerWaalsContact CB-OD1 3.24Å; A395-N468 WeakPolarHBondContact CB-OD1 3.22Å |
| 396 | N | 88 | Confident | 91.2 | Very high | 51 Ų | 51 | 36.4 Ų | 36.4 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 176.5 | -167.3 | 60.2 | 0 | 0 | 0 | 111.9 | S391 S393 F394 Y398 R399 T400 | S391-N396 PolarHBondContact OG-ND2 3.45Å; S393-N396 PolarHBondContact O-N 3.21Å; S393-N396 VanDerWaalsContact OG-CB 3.31Å; S393-N396 WeakPolarHBondContact OG-CB 3.39Å; S393-N396 PolarHBondContact OG-N 2.77Å; F394-N396 PolarHBondContact O-N 3.43Å; N396-Y398 PolarHBondContact O-N 3.48Å; N396-R399 PolarHBondContact O-N 2.87Å; N396-T400 WeakPolarHBondContact O-CB 3.31Å; N396-T400 VanDerWaalsContact O-CG2 3.3Å; N396-T400 WeakPolarHBondContact O-CG2 3.33Å; N396-T400 PolarHBondContact O-N 3.16Å; N396-T400 VanDerWaalsContact O-N 3.1Å; N396-T400 PolarHBondContact O-OG1 2.77Å |
| 397 | Y | 90.5 | Very high | 91.2 | Very high | 18 Ų | 18 | 33.1 Ų | 33.1 | 7% | 0.071 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.1 | -51.1 | 175 | 171 | -98.6 | 0 | 0 | 0 | 111.9 | W388 S391 S393 F394 R399 T400 W401 M484 L488 | W388-Y397 HydrophobicContact CB-CD2 4.37Å; W388-Y397 HydrophobicContact CD2-CE2 4.38Å; W388-Y397 AromaticContact CE3-CD2 3.97Å; W388-Y397 HydrophobicContact CE3-CD2 3.97Å; W388-Y397 AromaticContact CE3-CE2 3.64Å; W388-Y397 HydrophobicContact CE3-CE2 3.64Å; W388-Y397 HydrophobicContact CZ3-CE2 4.18Å; S391-Y397 PolarHBondContact OG-N 2.86Å; S393-Y397 PolarHBondContact O-N 3.24Å; F394-Y397 HydrophobicContact CD1-CD1 4.5Å; F394-Y397 WeakPolarHBondContact O-CB 3.18Å; F394-Y397 PolarHBondContact O-N 3.5Å; Y397-R399 VanDerWaalsContact C-N 3.28Å; Y397-R399 PolarHBondContact O-N 2.93Å; Y397-T400 PolarHBondContact O-N 3.22Å; Y397-T400 VanDerWaalsContact O-N 3.13Å; Y397-T400 PolarHBondContact O-OG1 3.32Å; Y397-W401 HydrophobicContact CE2-CB 4.35Å; Y397-W401 HydrophobicContact CE2-CD2 4.22Å; Y397-W401 AromaticContact CE2-CE3 3.58Å; Y397-W401 HydrophobicContact CE2-CE3 3.58Å; Y397-W401 HydrophobicContact CE2-CZ3 4.25Å; Y397-W401 AromaticContact CZ-CE3 3.81Å; Y397-W401 WeakPolarHBondContact O-CB 3.41Å; Y397-W401 PolarHBondContact O-N 3.02Å; Y397-M484 HydrophobicContact CD2-SD 4.36Å; Y397-L488 HydrophobicContact CE2-CD2 4.44Å |
| 398 | Y | 88.9 | Confident | 91.4 | Very high | 52 Ų | 52 | 31.6 Ų | 31.6 | 20% | 0.204 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.8 | -32.6 | 179.9 | -68.7 | -56.8 | 0 | 0 | 0 | 113.4 | F394 N396 F434 F460 | F394-Y398 HydrophobicContact CB-CD2 4.48Å; F394-Y398 HydrophobicContact CB-CE2 4.09Å; F394-Y398 HydrophobicContact CD1-CE2 4.28Å; F394-Y398 WeakPolarHBondContact O-CD2 3.48Å; F394-Y398 PolarHBondContact O-N 2.95Å; N396-Y398 PolarHBondContact O-N 3.48Å; Y398-F434 AromaticContact CD2-CE1 3.74Å; Y398-F434 HydrophobicContact CD2-CE1 3.74Å; Y398-F434 AromaticContact CD2-CZ 3.85Å; Y398-F434 HydrophobicContact CD2-CZ 3.85Å; Y398-F434 AromaticContact CE2-CE1 3.64Å; Y398-F434 HydrophobicContact CE2-CE1 3.64Å; Y398-F434 HydrophobicContact CE2-CZ 4.09Å; Y398-F434 HydrophobicContact CG-CE1 4.37Å; Y398-F460 HydrophobicContact CE1-CD1 4.28Å; Y398-F460 AromaticContact CE1-CE1 3.69Å; Y398-F460 HydrophobicContact CE1-CE1 3.69Å; Y398-F460 HydrophobicContact CE1-CZ 4.42Å |
| 399 | R | 89.6 | Confident | 91.5 | Very high | 95 Ų | 95 | 32.6 Ų | 32.6 | 36% | 0.358 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -72.6 | -27.1 | 176.8 | -66 | 170.1 | -159.6 | 146.7 | 4.4 | 113.5 | A395 N396 Y397 H406 D473 | A395-R399 VanDerWaalsContact O-CG 3.25Å; A395-R399 WeakPolarHBondContact O-CG 3.49Å; A395-R399 PolarHBondContact O-N 2.9Å; N396-R399 PolarHBondContact O-N 2.87Å; Y397-R399 VanDerWaalsContact C-N 3.28Å; Y397-R399 PolarHBondContact O-N 2.93Å; R399-H406 WeakPolarHBondContact CG-NE2 3.29Å; R399-D473 IonicContact CZ-OD2 2.71Å; R399-D473 IonicContact NH1-OD2 3.95Å; R399-D473 PolarHBondContact NH1-OD2 3.48Å; R399-D473 IonicContact NH2-OD2 2.66Å; R399-D473 PolarHBondContact NH2-OD2 2.87Å |
| 400 | T | 93.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -109.1 | -23.9 | -167.5 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | Y385 K386 W388 N396 Y397 | Y385-T400 WeakPolarHBondContact CA-O 3.38Å; K386-T400 HydrophobicContact CB-CG2 3.91Å; K386-T400 HydrophobicContact CD-CG2 4.2Å; K386-T400 PolarHBondContact N-O 3.09Å; W388-T400 VanDerWaalsContact CA-OG1 3.29Å; W388-T400 WeakPolarHBondContact CA-OG1 3.41Å; W388-T400 VanDerWaalsContact CB-OG1 3.28Å; W388-T400 WeakPolarHBondContact CB-OG1 3.35Å; N396-T400 WeakPolarHBondContact O-CB 3.31Å; N396-T400 VanDerWaalsContact O-CG2 3.3Å; N396-T400 WeakPolarHBondContact O-CG2 3.33Å; N396-T400 PolarHBondContact O-N 3.16Å; N396-T400 VanDerWaalsContact O-N 3.1Å; N396-T400 PolarHBondContact O-OG1 2.77Å; Y397-T400 PolarHBondContact O-N 3.22Å; Y397-T400 VanDerWaalsContact O-N 3.13Å; Y397-T400 PolarHBondContact O-OG1 3.32Å |
| 401 | W | 93.7 | Very high | 91.5 | Very high | 45 Ų | 45 | 32.3 Ų | 32.3 | 17% | 0.17 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -55.6 | -178.8 | 172.6 | -95.6 | 0 | 0 | 0 | 113.2 | L358 F362 Y385 W388 Y397 | L358-W401 HydrophobicContact CD1-CH2 3.52Å; L358-W401 HydrophobicContact CD1-CZ2 3.65Å; L358-W401 HydrophobicContact CD2-CH2 4.19Å; L358-W401 HydrophobicContact CG-CH2 3.71Å; L358-W401 HydrophobicContact CG-CZ2 4.35Å; L358-W401 HydrophobicContact CG-CZ3 4.49Å; F362-W401 HydrophobicContact CB-CH2 3.61Å; F362-W401 HydrophobicContact CB-CZ2 3.89Å; F362-W401 HydrophobicContact CB-CZ3 4.42Å; F362-W401 HydrophobicContact CD2-CD2 4.37Å; F362-W401 HydrophobicContact CD2-CE3 4.24Å; F362-W401 AromaticContact CD2-CH2 3.85Å; F362-W401 HydrophobicContact CD2-CH2 3.85Å; F362-W401 AromaticContact CD2-CZ2 3.98Å; F362-W401 HydrophobicContact CD2-CZ2 3.98Å; F362-W401 HydrophobicContact CD2-CZ3 4.02Å; F362-W401 HydrophobicContact CG-CH2 4Å; F362-W401 HydrophobicContact CG-CZ2 4.37Å; F362-W401 HydrophobicContact CG-CZ3 4.38Å; Y385-W401 VanDerWaalsContact CB-O 3.26Å; Y385-W401 WeakPolarHBondContact CB-O 3.24Å; W388-W401 HydrophobicContact CB-CB 4.46Å; W388-W401 AromaticContact CD2-CE3 3.42Å; W388-W401 HydrophobicContact CD2-CE3 3.42Å; W388-W401 VanDerWaalsContact CD2-CE3 3.42Å; W388-W401 AromaticContact CD2-CZ3 3.7Å; W388-W401 HydrophobicContact CD2-CZ3 3.7Å; W388-W401 AromaticContact CE2-CE3 3.54Å; W388-W401 AromaticContact CE2-CZ3 3.42Å; W388-W401 VanDerWaalsContact CE2-CZ3 3.42Å; W388-W401 AromaticContact CE3-CE3 3.7Å; W388-W401 HydrophobicContact CE3-CE3 3.7Å; W388-W401 AromaticContact CE3-CZ3 3.8Å; W388-W401 HydrophobicContact CE3-CZ3 3.8Å; W388-W401 AromaticContact CG-CE3 3.86Å; W388-W401 HydrophobicContact CG-CE3 3.86Å; W388-W401 HydrophobicContact CH2-CE3 4.21Å; W388-W401 HydrophobicContact CH2-CH2 4.41Å; W388-W401 AromaticContact CH2-CZ3 3.46Å; W388-W401 HydrophobicContact CH2-CZ3 3.46Å; W388-W401 VanDerWaalsContact CH2-CZ3 3.46Å; W388-W401 AromaticContact CZ2-CE3 3.96Å; W388-W401 HydrophobicContact CZ2-CE3 3.96Å; W388-W401 HydrophobicContact CZ2-CH2 4.2Å; W388-W401 AromaticContact CZ2-CZ3 3.32Å; W388-W401 HydrophobicContact CZ2-CZ3 3.32Å; W388-W401 HydrophobicContact CZ3-CE3 4.08Å; W388-W401 AromaticContact CZ3-CZ3 3.69Å; W388-W401 HydrophobicContact CZ3-CZ3 3.69Å; W388-W401 AromaticContact NE1-CE3 3.92Å; Y397-W401 HydrophobicContact CE2-CB 4.35Å; Y397-W401 HydrophobicContact CE2-CD2 4.22Å; Y397-W401 AromaticContact CE2-CE3 3.58Å; Y397-W401 HydrophobicContact CE2-CE3 3.58Å; Y397-W401 HydrophobicContact CE2-CZ3 4.25Å; Y397-W401 AromaticContact CZ-CE3 3.81Å; Y397-W401 WeakPolarHBondContact O-CB 3.41Å; Y397-W401 PolarHBondContact O-N 3.02Å |
| 402 | N | 95.9 | Very high | 91.7 | Very high | 32 Ų | 32 | 32.7 Ų | 32.7 | 17% | 0.171 | 15% | 0.149 | C | C | . | . | trans | -135 | 88.4 | 178.6 | -179.3 | -11.3 | 0 | 0 | 0 | 108.7 | L366 V404 V405 H406 | L366-N402 HydrophobicContact CD1-CB 4.28Å; L366-N402 HydrophobicContact CD2-CB 4.08Å; N402-V404 PolarHBondContact O-N 2.82Å; N402-V404 WeakPolarHBondContact OD1-CB 3.26Å; N402-V404 PolarHBondContact OD1-N 3.43Å; N402-V405 VanDerWaalsContact ND2-CG2 3.33Å; N402-V405 WeakPolarHBondContact ND2-CG2 3.15Å; N402-V405 PolarHBondContact O-N 2.94Å; N402-V405 PolarHBondContact OD1-N 3.33Å; N402-V405 VanDerWaalsContact OD1-N 3.13Å; N402-H406 WeakPolarHBondContact O-CB 3.26Å; N402-H406 PolarHBondContact O-N 3.36Å | ||
| 403 | V | 95.1 | Very high | 92 | Very high | 8 Ų | 8 | 33 Ų | 33 | 5% | 0.048 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -31.6 | -177.8 | 174 | 0 | 0 | 0 | 0 | 110.7 | F384 K386 D407 | F384-V403 WeakPolarHBondContact O-CB 3.43Å; F384-V403 PolarHBondContact O-N 3.36Å; K386-V403 HydrophobicContact CG-CG2 4.26Å; V403-D407 VanDerWaalsContact CG1-OD2 3.29Å; V403-D407 WeakPolarHBondContact CG1-OD2 3.37Å; V403-D407 VanDerWaalsContact O-CB 3.22Å; V403-D407 WeakPolarHBondContact O-CB 3.41Å; V403-D407 PolarHBondContact O-N 3.29Å |
| 404 | V | 95.8 | Very high | 92.2 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -49 | -178.7 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | L286 L370 F384 N402 W408 | L286-V404 HydrophobicContact CB-CG1 4.2Å; L286-V404 HydrophobicContact CD1-CG1 3.88Å; L286-V404 HydrophobicContact CG-CG1 3.64Å; L370-V404 HydrophobicContact CD1-CG2 4.36Å; F384-V404 HydrophobicContact CB-CG2 4.12Å; F384-V404 HydrophobicContact CD1-CG2 3.68Å; F384-V404 HydrophobicContact CG-CG2 4.35Å; N402-V404 PolarHBondContact O-N 2.82Å; N402-V404 WeakPolarHBondContact OD1-CB 3.26Å; N402-V404 PolarHBondContact OD1-N 3.43Å; V404-W408 PolarHBondContact O-N 3.42Å |
| 405 | V | 96.2 | Very high | 92.4 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 26% | 0.261 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -75.6 | -40.2 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111 | M245 L286 N402 D407 W408 L409 | M245-V405 HydrophobicContact CE-CG1 4.2Å; L286-V405 HydrophobicContact CD1-CG2 3.99Å; N402-V405 VanDerWaalsContact ND2-CG2 3.33Å; N402-V405 WeakPolarHBondContact ND2-CG2 3.15Å; N402-V405 PolarHBondContact O-N 2.94Å; N402-V405 PolarHBondContact OD1-N 3.33Å; N402-V405 VanDerWaalsContact OD1-N 3.13Å; V405-D407 VanDerWaalsContact C-N 3.35Å; V405-D407 PolarHBondContact O-N 3.29Å; V405-W408 PolarHBondContact O-N 3.41Å; V405-L409 HydrophobicContact CG1-CD1 3.9Å; V405-L409 HydrophobicContact CG1-CG 4.31Å; V405-L409 WeakPolarHBondContact O-CG 3.42Å; V405-L409 PolarHBondContact O-N 3.32Å |
| 406 | H | 93.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 176.8 | 171.6 | -87.8 | 0 | 0 | 0 | 111.7 | R399 N402 W408 L409 Y410 | R399-H406 WeakPolarHBondContact CG-NE2 3.29Å; N402-H406 WeakPolarHBondContact O-CB 3.26Å; N402-H406 PolarHBondContact O-N 3.36Å; H406-W408 VanDerWaalsContact C-N 3.31Å; H406-W408 PolarHBondContact O-N 2.93Å; H406-L409 PolarHBondContact O-N 3.49Å; H406-Y410 VanDerWaalsContact O-CB 3.29Å; H406-Y410 WeakPolarHBondContact O-CB 3.18Å; H406-Y410 PolarHBondContact O-N 3.35Å |
| 407 | D | 93.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | -179.2 | -71.9 | -11.4 | 0 | 0 | 0 | 111 | K100 I287 V403 V405 Y410 Y411 | K100-D407 VanDerWaalsContact CD-OD2 3.32Å; K100-D407 WeakPolarHBondContact CD-OD2 2.97Å; K100-D407 VanDerWaalsContact CE-OD2 3.22Å; K100-D407 WeakPolarHBondContact CE-OD2 3.34Å; K100-D407 IonicContact NZ-OD2 3.26Å; K100-D407 PolarHBondContact NZ-OD2 3.12Å; I287-D407 HydrophobicContact CD1-CB 3.74Å; V403-D407 VanDerWaalsContact CG1-OD2 3.29Å; V403-D407 WeakPolarHBondContact CG1-OD2 3.37Å; V403-D407 VanDerWaalsContact O-CB 3.22Å; V403-D407 WeakPolarHBondContact O-CB 3.41Å; V403-D407 PolarHBondContact O-N 3.29Å; V405-D407 VanDerWaalsContact C-N 3.35Å; V405-D407 PolarHBondContact O-N 3.29Å; D407-Y410 PolarHBondContact O-N 2.97Å; D407-Y411 HydrophobicContact CB-CD2 4.26Å; D407-Y411 HydrophobicContact CB-CE2 4.44Å; D407-Y411 WeakPolarHBondContact O-CB 3.4Å; D407-Y411 WeakPolarHBondContact O-CD2 3.4Å; D407-Y411 PolarHBondContact O-N 2.9Å |
| 408 | W | 96.1 | Very high | 92.6 | Very high | 37 Ų | 37 | 39.9 Ų | 39.9 | 14% | 0.14 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -49.5 | 174.3 | -171.9 | 97.1 | 0 | 0 | 0 | 111.4 | M245 Y248 L286 V404 V405 H406 Y410 Y412 | M245-W408 HydrophobicContact CB-CD2 4.35Å; M245-W408 HydrophobicContact CB-CZ2 4.14Å; M245-W408 HydrophobicContact CE-CB 3.93Å; M245-W408 HydrophobicContact CE-CD2 3.39Å; M245-W408 HydrophobicContact CE-CE3 3.39Å; M245-W408 HydrophobicContact CE-CG 3.63Å; M245-W408 HydrophobicContact CE-CZ3 4.09Å; M245-W408 HydrophobicContact CG-CD2 4.28Å; M245-W408 HydrophobicContact CG-CH2 4.37Å; M245-W408 HydrophobicContact CG-CZ2 4.06Å; M245-W408 PolarHBondContact O-NE1 3.41Å; Y248-W408 AromaticContact CD1-CZ2 3.81Å; Y248-W408 HydrophobicContact CD1-CZ2 3.81Å; Y248-W408 AromaticContact CG-CZ2 3.99Å; Y248-W408 HydrophobicContact CG-CZ2 3.99Å; L286-W408 HydrophobicContact CB-CB 4.03Å; L286-W408 HydrophobicContact CB-CG 4.15Å; L286-W408 HydrophobicContact CD1-CB 4.28Å; V404-W408 PolarHBondContact O-N 3.42Å; V405-W408 PolarHBondContact O-N 3.41Å; H406-W408 VanDerWaalsContact C-N 3.31Å; H406-W408 PolarHBondContact O-N 2.93Å; W408-Y410 VanDerWaalsContact C-N 3.3Å; W408-Y410 PolarHBondContact O-N 2.94Å; W408-Y412 HydrophobicContact CB-CD2 4.45Å; W408-Y412 AromaticContact CD1-CD2 3.38Å; W408-Y412 AromaticContact CD1-CE2 3.59Å; W408-Y412 AromaticContact CD2-CD2 3.98Å; W408-Y412 HydrophobicContact CD2-CD2 3.98Å; W408-Y412 AromaticContact CE2-CD2 3.84Å; W408-Y412 AromaticContact CG-CD2 3.72Å; W408-Y412 HydrophobicContact CG-CD2 3.72Å; W408-Y412 HydrophobicContact CG-CE2 4.25Å; W408-Y412 AromaticContact NE1-CD2 3.47Å; W408-Y412 AromaticContact NE1-CE2 3.87Å; W408-Y412 VanDerWaalsContact O-CB 3.32Å; W408-Y412 WeakPolarHBondContact O-CB 3.33Å; W408-Y412 PolarHBondContact O-N 2.97Å |
| 409 | L | 94.9 | Very high | 92.6 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -63.2 | -35.7 | 178.1 | -72 | 172.5 | 0 | 0 | 0 | 112.3 | V405 H406 G413 Y414 V433 | V405-L409 HydrophobicContact CG1-CD1 3.9Å; V405-L409 HydrophobicContact CG1-CG 4.31Å; V405-L409 WeakPolarHBondContact O-CG 3.42Å; V405-L409 PolarHBondContact O-N 3.32Å; H406-L409 PolarHBondContact O-N 3.49Å; L409-G413 CarbonylContact O-C 3.47Å; L409-G413 WeakPolarHBondContact O-CA 3.3Å; L409-G413 PolarHBondContact O-N 3.37Å; L409-Y414 PolarHBondContact O-N 3.37Å; L409-V433 HydrophobicContact CB-CG1 3.88Å; L409-V433 HydrophobicContact CD1-CG1 4.37Å; L409-V433 HydrophobicContact CD2-CG1 4.21Å; L409-V433 HydrophobicContact CG-CG1 4.38Å |
| 410 | Y | 92.5 | Very high | 92.5 | Very high | 101 Ų | 101 | 48.3 Ų | 48.3 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -70.8 | -51.7 | 178.5 | 176.5 | -99.3 | 0 | 0 | 0 | 112 | H406 D407 W408 Y414 R415 | H406-Y410 VanDerWaalsContact O-CB 3.29Å; H406-Y410 WeakPolarHBondContact O-CB 3.18Å; H406-Y410 PolarHBondContact O-N 3.35Å; D407-Y410 PolarHBondContact O-N 2.97Å; W408-Y410 VanDerWaalsContact C-N 3.3Å; W408-Y410 PolarHBondContact O-N 2.94Å; Y410-Y414 AromaticContact CD2-CD1 3.9Å; Y410-Y414 HydrophobicContact CD2-CD1 3.9Å; Y410-Y414 AromaticContact CE2-CD1 3.75Å; Y410-Y414 HydrophobicContact CE2-CD1 3.75Å; Y410-Y414 HydrophobicContact CE2-CE1 4.11Å; Y410-Y414 WeakPolarHBondContact O-CB 3.39Å; Y410-R415 WeakPolarHBondContact O-CB 3.28Å; Y410-R415 PolarHBondContact O-N 3.44Å |
| 411 | Y | 91.7 | Very high | 92.1 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -74.3 | -34.6 | -175.2 | -78.5 | -69.5 | 0 | 0 | 0 | 113.3 | K100 I287 D407 R415 | K100-Y411 WeakPolarHBondContact CA-OH 3.26Å; K100-Y411 HydrophobicContact CB-CE2 3.74Å; K100-Y411 PolarHBondContact N-OH 3.42Å; I287-Y411 HydrophobicContact CD1-CD2 3.58Å; I287-Y411 HydrophobicContact CD1-CE2 4.06Å; I287-Y411 HydrophobicContact CD1-CG 4.45Å; D407-Y411 HydrophobicContact CB-CD2 4.26Å; D407-Y411 HydrophobicContact CB-CE2 4.44Å; D407-Y411 WeakPolarHBondContact O-CB 3.4Å; D407-Y411 WeakPolarHBondContact O-CD2 3.4Å; D407-Y411 PolarHBondContact O-N 2.9Å; Y411-R415 PolarHBondContact O-NE 3.19Å |
| 412 | Y | 92.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -109.2 | -28.2 | -174.3 | -58.8 | -46 | 0 | 0 | 0 | 114.3 | Y248 S249 R252 E253 I287 W408 D416 | Y248-Y412 HydrophobicContact CD1-CD2 4.41Å; Y248-Y412 HydrophobicContact CD1-CG 4.15Å; Y248-Y412 HydrophobicContact CE1-CD1 4.18Å; Y248-Y412 AromaticContact CE1-CG 3.9Å; Y248-Y412 HydrophobicContact CE1-CG 3.9Å; S249-Y412 WeakPolarHBondContact OG-CE2 3.27Å; S249-Y412 PolarHBondContact OG-OH 3.48Å; R252-Y412 HydrophobicContact CB-CD1 4.29Å; R252-Y412 HydrophobicContact CB-CE1 4.18Å; R252-Y412 HydrophobicContact CG-CD1 3.69Å; R252-Y412 HydrophobicContact CG-CE1 3.78Å; E253-Y412 HydrophobicContact CG-CE1 4.37Å; E253-Y412 WeakPolarHBondContact CG-OH 3.34Å; E253-Y412 VanDerWaalsContact OE1-CE1 3.29Å; E253-Y412 WeakPolarHBondContact OE1-CE1 3.44Å; E253-Y412 PolarHBondContact OE1-OH 3.5Å; I287-Y412 HydrophobicContact CG1-CE2 4.19Å; W408-Y412 HydrophobicContact CB-CD2 4.45Å; W408-Y412 AromaticContact CD1-CD2 3.38Å; W408-Y412 AromaticContact CD1-CE2 3.59Å; W408-Y412 AromaticContact CD2-CD2 3.98Å; W408-Y412 HydrophobicContact CD2-CD2 3.98Å; W408-Y412 AromaticContact CE2-CD2 3.84Å; W408-Y412 AromaticContact CG-CD2 3.72Å; W408-Y412 HydrophobicContact CG-CD2 3.72Å; W408-Y412 HydrophobicContact CG-CE2 4.25Å; W408-Y412 AromaticContact NE1-CD2 3.47Å; W408-Y412 AromaticContact NE1-CE2 3.87Å; W408-Y412 VanDerWaalsContact O-CB 3.32Å; W408-Y412 WeakPolarHBondContact O-CB 3.33Å; W408-Y412 PolarHBondContact O-N 2.97Å; Y412-D416 WeakPolarHBondContact CA-OD2 3.23Å; Y412-D416 WeakPolarHBondContact O-CB 3.29Å |
| 413 | G | 91.4 | Very high | 91 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 24% | 0.237 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -86.2 | -68.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L409 F417 | L409-G413 CarbonylContact O-C 3.47Å; L409-G413 WeakPolarHBondContact O-CA 3.3Å; L409-G413 PolarHBondContact O-N 3.37Å; G413-F417 WeakPolarHBondContact O-CB 3.43Å; G413-F417 PolarHBondContact O-N 2.99Å; G413-F417 VanDerWaalsContact O-N 3.13Å |
| 414 | Y | 91.3 | Very high | 90.2 | Very high | 56 Ų | 56 | 67.3 Ų | 67.3 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -67.1 | -53.9 | -171.3 | 179.3 | -106.7 | 0 | 0 | 0 | 112.6 | L409 Y410 D416 F417 L418 A429 M430 | L409-Y414 PolarHBondContact O-N 3.37Å; Y410-Y414 AromaticContact CD2-CD1 3.9Å; Y410-Y414 HydrophobicContact CD2-CD1 3.9Å; Y410-Y414 AromaticContact CE2-CD1 3.75Å; Y410-Y414 HydrophobicContact CE2-CD1 3.75Å; Y410-Y414 HydrophobicContact CE2-CE1 4.11Å; Y410-Y414 WeakPolarHBondContact O-CB 3.39Å; Y414-D416 PolarHBondContact O-N 2.86Å; Y414-F417 PolarHBondContact O-N 3.48Å; Y414-L418 HydrophobicContact CD1-CD1 3.85Å; Y414-L418 HydrophobicContact CE1-CD1 3.27Å; Y414-L418 HydrophobicContact CE1-CG 4.23Å; Y414-L418 HydrophobicContact CE2-CD1 4.08Å; Y414-L418 HydrophobicContact CE2-CG 4.26Å; Y414-L418 HydrophobicContact CG-CD1 4.46Å; Y414-L418 VanDerWaalsContact CZ-CD1 3.41Å; Y414-L418 WeakPolarHBondContact O-CB 3.17Å; Y414-L418 WeakPolarHBondContact O-CG 3.08Å; Y414-L418 PolarHBondContact O-N 3.38Å; Y414-A429 HydrophobicContact CD2-CB 3.75Å; Y414-A429 HydrophobicContact CE2-CB 3.75Å; Y414-M430 HydrophobicContact CE2-CB 4.38Å |
| 415 | R | 89.5 | Confident | 89.6 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | -175.1 | -172.4 | 179.1 | 67.1 | 164.8 | 1.1 | 112.4 | Y410 Y411 L418 W419 | Y410-R415 WeakPolarHBondContact O-CB 3.28Å; Y410-R415 PolarHBondContact O-N 3.44Å; Y411-R415 PolarHBondContact O-NE 3.19Å; R415-L418 WeakPolarHBondContact O-CB 3.49Å; R415-L418 PolarHBondContact O-N 3.48Å; R415-W419 WeakPolarHBondContact O-CB 3.39Å; R415-W419 PolarHBondContact O-N 2.8Å |
| 416 | D | 90.4 | Very high | 89 | Confident | 17 Ų | 17 | 74 Ų | 74 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.1 | -38.1 | -180 | -66 | -18.8 | 0 | 0 | 0 | 111.8 | R252 Y412 Y414 L418 W419 L420 | R252-D416 IonicContact CZ-OD1 3.19Å; R252-D416 VanDerWaalsContact CZ-OD1 3.28Å; R252-D416 IonicContact CZ-OD2 3.51Å; R252-D416 IonicContact NE-OD1 3.06Å; R252-D416 IonicContact NE-OD2 3.88Å; R252-D416 PolarHBondContact NE-OD2 2.91Å; R252-D416 IonicContact NH1-OD1 3.94Å; R252-D416 IonicContact NH1-OD2 2.92Å; R252-D416 PolarHBondContact NH1-OD2 3.46Å; R252-D416 IonicContact NH2-OD1 2.77Å; R252-D416 PolarHBondContact NH2-OD1 2.85Å; R252-D416 IonicContact NH2-OD2 3.54Å; R252-D416 PolarHBondContact NH2-OD2 3.22Å; R252-D416 VanDerWaalsContact NH2-OD2 3.15Å; Y412-D416 WeakPolarHBondContact CA-OD2 3.23Å; Y412-D416 WeakPolarHBondContact O-CB 3.29Å; Y414-D416 PolarHBondContact O-N 2.86Å; D416-L418 VanDerWaalsContact C-N 3.35Å; D416-W419 PolarHBondContact O-N 2.88Å; D416-L420 WeakPolarHBondContact O-CB 3.26Å; D416-L420 PolarHBondContact O-N 3.47Å |
| 417 | F | 89.3 | Confident | 88.6 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 31% | 0.307 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 171.5 | -172.2 | -79.2 | 0 | 0 | 0 | 111.8 | G413 Y414 W419 L420 S421 A428 A429 | G413-F417 WeakPolarHBondContact O-CB 3.43Å; G413-F417 PolarHBondContact O-N 2.99Å; G413-F417 VanDerWaalsContact O-N 3.13Å; Y414-F417 PolarHBondContact O-N 3.48Å; F417-W419 VanDerWaalsContact C-N 3.31Å; F417-W419 PolarHBondContact O-N 3.42Å; F417-L420 PolarHBondContact O-N 2.94Å; F417-S421 WeakPolarHBondContact O-CB 3.38Å; F417-S421 PolarHBondContact O-N 3.45Å; F417-S421 PolarHBondContact O-OG 3.35Å; F417-A428 HydrophobicContact CE1-CB 4.32Å; F417-A429 HydrophobicContact CB-CB 4.45Å; F417-A429 VanDerWaalsContact CD1-CA 3.43Å; F417-A429 HydrophobicContact CD1-CB 3.39Å; F417-A429 HydrophobicContact CE1-CB 3.97Å; F417-A429 HydrophobicContact CG-CB 4.23Å |
| 418 | L | 89.1 | Confident | 88.3 | Confident | 22 Ų | 22 | 76.2 Ų | 76.2 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 173.2 | -81.3 | -177.2 | 0 | 0 | 0 | 112.1 | Y414 R415 D416 S421 N422 R423 R426 A429 | Y414-L418 HydrophobicContact CD1-CD1 3.85Å; Y414-L418 HydrophobicContact CE1-CD1 3.27Å; Y414-L418 HydrophobicContact CE1-CG 4.23Å; Y414-L418 HydrophobicContact CE2-CD1 4.08Å; Y414-L418 HydrophobicContact CE2-CG 4.26Å; Y414-L418 HydrophobicContact CG-CD1 4.46Å; Y414-L418 VanDerWaalsContact CZ-CD1 3.41Å; Y414-L418 WeakPolarHBondContact O-CB 3.17Å; Y414-L418 WeakPolarHBondContact O-CG 3.08Å; Y414-L418 PolarHBondContact O-N 3.38Å; R415-L418 WeakPolarHBondContact O-CB 3.49Å; R415-L418 PolarHBondContact O-N 3.48Å; D416-L418 VanDerWaalsContact C-N 3.35Å; L418-S421 WeakPolarHBondContact CA-OG 3.46Å; L418-S421 PolarHBondContact O-N 3.29Å; L418-S421 PolarHBondContact O-OG 2.91Å; L418-N422 PolarHBondContact O-N 2.87Å; L418-R423 WeakPolarHBondContact O-CA 3.36Å; L418-R423 PolarHBondContact O-N 2.87Å; L418-R426 HydrophobicContact CD2-CB 4.33Å; L418-R426 HydrophobicContact CD2-CG 3.9Å; L418-A429 HydrophobicContact CD2-CB 3.81Å; L418-A429 HydrophobicContact CG-CB 3.96Å |
| 419 | W | 87.6 | Confident | 87.9 | Confident | 189 Ų | 189 | 74.5 Ų | 74.5 | 72% | 0.716 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 176.1 | 179 | 84.9 | 0 | 0 | 0 | 110.9 | R415 D416 F417 S421 N422 | R415-W419 WeakPolarHBondContact O-CB 3.39Å; R415-W419 PolarHBondContact O-N 2.8Å; D416-W419 PolarHBondContact O-N 2.88Å; F417-W419 VanDerWaalsContact C-N 3.31Å; F417-W419 PolarHBondContact O-N 3.42Å; W419-S421 VanDerWaalsContact C-N 3.32Å; W419-S421 PolarHBondContact O-N 3.4Å; W419-N422 PolarHBondContact O-N 3.23Å; W419-N422 VanDerWaalsContact O-N 3.12Å |
| 420 | L | 87.6 | Confident | 87.5 | Confident | 136 Ų | 136 | 75.8 Ų | 75.8 | 71% | 0.712 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62 | -37.1 | 177.3 | -174.2 | 66.2 | 0 | 0 | 0 | 112.8 | D416 F417 N422 | D416-L420 WeakPolarHBondContact O-CB 3.26Å; D416-L420 PolarHBondContact O-N 3.47Å; F417-L420 PolarHBondContact O-N 2.94Å; L420-N422 VanDerWaalsContact C-N 3.26Å; L420-N422 PolarHBondContact O-N 3.01Å |
| 421 | S | 85.1 | Confident | 87.3 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 15% | 0.154 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 11.5 | 178 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | F417 L418 W419 R423 R424 | F417-S421 WeakPolarHBondContact O-CB 3.38Å; F417-S421 PolarHBondContact O-N 3.45Å; F417-S421 PolarHBondContact O-OG 3.35Å; L418-S421 WeakPolarHBondContact CA-OG 3.46Å; L418-S421 PolarHBondContact O-N 3.29Å; L418-S421 PolarHBondContact O-OG 2.91Å; W419-S421 VanDerWaalsContact C-N 3.32Å; W419-S421 PolarHBondContact O-N 3.4Å; S421-R423 PolarHBondContact O-N 3.21Å; S421-R423 VanDerWaalsContact O-N 3.14Å; S421-R424 WeakPolarHBondContact O-CB 3.14Å; S421-R424 PolarHBondContact O-N 2.82Å; S421-R424 VanDerWaalsContact O-N 3.08Å |
| 422 | N | 84.1 | Confident | 87.3 | Confident | 121 Ų | 121 | 73.6 Ų | 73.6 | 65% | 0.647 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 39.3 | -176.2 | -157.6 | 15 | 0 | 0 | 0 | 113.1 | L418 W419 L420 R424 | L418-N422 PolarHBondContact O-N 2.87Å; W419-N422 PolarHBondContact O-N 3.23Å; W419-N422 VanDerWaalsContact O-N 3.12Å; L420-N422 VanDerWaalsContact C-N 3.26Å; L420-N422 PolarHBondContact O-N 3.01Å; N422-R424 PolarHBondContact O-N 3.38Å; N422-R424 VanDerWaalsContact O-N 3.11Å |
| 423 | R | 82.1 | Confident | 87.2 | Confident | 150 Ų | 150 | 74.4 Ų | 74.4 | 57% | 0.566 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 13.5 | -179.5 | -56.6 | 179.3 | 175 | 178.9 | -0.5 | 115.7 | L418 S421 | L418-R423 WeakPolarHBondContact O-CA 3.36Å; L418-R423 PolarHBondContact O-N 2.87Å; S421-R423 PolarHBondContact O-N 3.21Å; S421-R423 VanDerWaalsContact O-N 3.14Å |
| 424 | R | 79.6 | Confident | 87.1 | Confident | 197 Ų | 197 | 74.8 Ų | 74.8 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | trans | -77.2 | -37.5 | -177.9 | -68.1 | -176.9 | 177 | 173.1 | -2 | 113.4 | S421 N422 | S421-R424 WeakPolarHBondContact O-CB 3.14Å; S421-R424 PolarHBondContact O-N 2.82Å; S421-R424 VanDerWaalsContact O-N 3.08Å; N422-R424 PolarHBondContact O-N 3.38Å; N422-R424 VanDerWaalsContact O-N 3.11Å | ||
| 425 | F | 83.4 | Confident | 87.1 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | trans | -110.9 | 67 | -169.5 | -61.6 | -68.9 | 0 | 0 | 0 | 113.5 | T427 A428 A429 | F425-T427 PolarHBondContact O-N 3.14Å; F425-A428 HydrophobicContact CB-CB 3.88Å; F425-A428 PolarHBondContact O-N 2.86Å; F425-A429 WeakPolarHBondContact O-CB 3.16Å; F425-A429 PolarHBondContact O-N 3.42Å | ||
| 426 | R | 83.6 | Confident | 87.3 | Confident | 71 Ų | 71 | 76.3 Ų | 76.3 | 27% | 0.268 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | -178.5 | -63.2 | -176.1 | -177.6 | 179.9 | 2 | 113.9 | D64 L418 A429 M430 | D64-R426 IonicContact OD1-CZ 3.22Å; D64-R426 IonicContact OD1-NH1 2.78Å; D64-R426 PolarHBondContact OD1-NH1 3.23Å; D64-R426 IonicContact OD1-NH2 2.9Å; D64-R426 PolarHBondContact OD1-NH2 3.32Å; D64-R426 IonicContact OD2-NH1 3.29Å; D64-R426 IonicContact OD2-NH2 2.68Å; L418-R426 HydrophobicContact CD2-CB 4.33Å; L418-R426 HydrophobicContact CD2-CG 3.9Å; R426-A429 PolarHBondContact O-N 2.85Å; R426-M430 PolarHBondContact O-N 3.38Å |
| 427 | T | 84.9 | Confident | 87.5 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 178.4 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | F425 A429 M430 L431 F469 | F425-T427 PolarHBondContact O-N 3.14Å; T427-A429 VanDerWaalsContact C-N 3.33Å; T427-A429 PolarHBondContact O-N 3.41Å; T427-M430 PolarHBondContact O-N 3.39Å; T427-L431 HydrophobicContact CG2-CD1 4.18Å; T427-L431 HydrophobicContact CG2-CG 4.49Å; T427-L431 WeakPolarHBondContact O-CG 3.32Å; T427-L431 PolarHBondContact O-N 2.93Å; T427-F469 HydrophobicContact CG2-CE1 4.49Å; T427-F469 HydrophobicContact CG2-CZ 3.94Å |
| 428 | A | 87.6 | Confident | 87.6 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 35% | 0.347 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F417 F425 M430 L431 S432 | F417-A428 HydrophobicContact CE1-CB 4.32Å; F425-A428 HydrophobicContact CB-CB 3.88Å; F425-A428 PolarHBondContact O-N 2.86Å; A428-M430 VanDerWaalsContact C-N 3.35Å; A428-M430 PolarHBondContact O-N 3.21Å; A428-L431 PolarHBondContact O-N 3.48Å; A428-S432 WeakPolarHBondContact O-CB 3.26Å; A428-S432 PolarHBondContact O-N 2.86Å |
| 429 | A | 87.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y414 F417 L418 F425 R426 T427 V433 | Y414-A429 HydrophobicContact CD2-CB 3.75Å; Y414-A429 HydrophobicContact CE2-CB 3.75Å; F417-A429 HydrophobicContact CB-CB 4.45Å; F417-A429 VanDerWaalsContact CD1-CA 3.43Å; F417-A429 HydrophobicContact CD1-CB 3.39Å; F417-A429 HydrophobicContact CE1-CB 3.97Å; F417-A429 HydrophobicContact CG-CB 4.23Å; L418-A429 HydrophobicContact CD2-CB 3.81Å; L418-A429 HydrophobicContact CG-CB 3.96Å; F425-A429 WeakPolarHBondContact O-CB 3.16Å; F425-A429 PolarHBondContact O-N 3.42Å; R426-A429 PolarHBondContact O-N 2.85Å; T427-A429 VanDerWaalsContact C-N 3.33Å; T427-A429 PolarHBondContact O-N 3.41Å; A429-V433 WeakPolarHBondContact O-CG2 3.19Å; A429-V433 PolarHBondContact O-N 3.5Å |
| 430 | M | 86.6 | Confident | 88.3 | Confident | 53 Ų | 53 | 69.4 Ų | 69.4 | 26% | 0.261 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.1 | -52.7 | 176.1 | -173.8 | -147.2 | -65.9 | 0 | 0 | 111 | Y414 R426 T427 A428 S432 V433 F434 N468 F469 | Y414-M430 HydrophobicContact CE2-CB 4.38Å; R426-M430 PolarHBondContact O-N 3.38Å; T427-M430 PolarHBondContact O-N 3.39Å; A428-M430 VanDerWaalsContact C-N 3.35Å; A428-M430 PolarHBondContact O-N 3.21Å; M430-S432 VanDerWaalsContact C-N 3.31Å; M430-S432 PolarHBondContact O-N 3.46Å; M430-V433 PolarHBondContact O-N 2.98Å; M430-F434 HydrophobicContact CG-CD2 3.93Å; M430-F434 HydrophobicContact CG-CE2 3.8Å; M430-F434 WeakPolarHBondContact O-CD2 3.15Å; M430-F434 PolarHBondContact O-N 3.46Å; M430-F434 VanDerWaalsContact O-N 3.08Å; M430-F434 HydrophobicContact SD-CD2 4.43Å; M430-F434 HydrophobicContact SD-CE2 4.1Å; M430-N468 PolarHBondContact SD-ND2 2.85Å; M430-F469 HydrophobicContact SD-CZ 4.34Å |
| 431 | L | 88.7 | Confident | 88.6 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 29% | 0.293 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | -179.2 | -71.5 | 175.2 | 0 | 0 | 0 | 112.3 | T427 A428 V433 F434 I435 V465 F469 | T427-L431 HydrophobicContact CG2-CD1 4.18Å; T427-L431 HydrophobicContact CG2-CG 4.49Å; T427-L431 WeakPolarHBondContact O-CG 3.32Å; T427-L431 PolarHBondContact O-N 2.93Å; A428-L431 PolarHBondContact O-N 3.48Å; L431-V433 PolarHBondContact O-N 3.29Å; L431-F434 PolarHBondContact O-N 3.37Å; L431-I435 VanDerWaalsContact O-CG1 3.29Å; L431-I435 WeakPolarHBondContact O-CG1 3.21Å; L431-I435 PolarHBondContact O-N 3.17Å; L431-V465 HydrophobicContact CD2-CB 4.49Å; L431-V465 HydrophobicContact CD2-CG1 3.55Å; L431-V465 HydrophobicContact CD2-CG2 4.02Å; L431-F469 HydrophobicContact CD2-CE2 4.22Å |
| 432 | S | 90.5 | Very high | 89 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 28% | 0.28 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -54.8 | -49.5 | 174.2 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | A428 M430 F434 I435 V436 | A428-S432 WeakPolarHBondContact O-CB 3.26Å; A428-S432 PolarHBondContact O-N 2.86Å; M430-S432 VanDerWaalsContact C-N 3.31Å; M430-S432 PolarHBondContact O-N 3.46Å; S432-F434 VanDerWaalsContact C-N 3.34Å; S432-F434 PolarHBondContact O-N 3.19Å; S432-I435 PolarHBondContact O-N 2.91Å; S432-V436 VanDerWaalsContact O-CG2 3.32Å; S432-V436 WeakPolarHBondContact O-CG2 3.42Å; S432-V436 PolarHBondContact O-N 2.79Å |
| 433 | V | 91.6 | Very high | 89.5 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | L409 A429 M430 L431 S437 | L409-V433 HydrophobicContact CB-CG1 3.88Å; L409-V433 HydrophobicContact CD1-CG1 4.37Å; L409-V433 HydrophobicContact CD2-CG1 4.21Å; L409-V433 HydrophobicContact CG-CG1 4.38Å; A429-V433 WeakPolarHBondContact O-CG2 3.19Å; A429-V433 PolarHBondContact O-N 3.5Å; M430-V433 PolarHBondContact O-N 2.98Å; L431-V433 PolarHBondContact O-N 3.29Å; V433-S437 VanDerWaalsContact O-CB 3.31Å; V433-S437 WeakPolarHBondContact O-CB 3.45Å; V433-S437 PolarHBondContact O-N 3.25Å |
| 434 | F | 89.5 | Confident | 90.1 | Very high | 32 Ų | 32 | 56 Ų | 56 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.5 | -88.3 | -78.6 | 0 | 0 | 0 | 112.3 | Y398 M430 L431 S432 S437 A438 V465 N468 | Y398-F434 AromaticContact CD2-CE1 3.74Å; Y398-F434 HydrophobicContact CD2-CE1 3.74Å; Y398-F434 AromaticContact CD2-CZ 3.85Å; Y398-F434 HydrophobicContact CD2-CZ 3.85Å; Y398-F434 AromaticContact CE2-CE1 3.64Å; Y398-F434 HydrophobicContact CE2-CE1 3.64Å; Y398-F434 HydrophobicContact CE2-CZ 4.09Å; Y398-F434 HydrophobicContact CG-CE1 4.37Å; M430-F434 HydrophobicContact CG-CD2 3.93Å; M430-F434 HydrophobicContact CG-CE2 3.8Å; M430-F434 WeakPolarHBondContact O-CD2 3.15Å; M430-F434 PolarHBondContact O-N 3.46Å; M430-F434 VanDerWaalsContact O-N 3.08Å; M430-F434 HydrophobicContact SD-CD2 4.43Å; M430-F434 HydrophobicContact SD-CE2 4.1Å; L431-F434 PolarHBondContact O-N 3.37Å; S432-F434 VanDerWaalsContact C-N 3.34Å; S432-F434 PolarHBondContact O-N 3.19Å; F434-S437 PolarHBondContact O-N 2.97Å; F434-A438 WeakPolarHBondContact O-CB 3.49Å; F434-A438 PolarHBondContact O-N 3Å; F434-V465 HydrophobicContact CB-CG2 4.31Å; F434-V465 HydrophobicContact CG-CG2 4.43Å; F434-N468 WeakPolarHBondContact CE2-ND2 3.26Å |
| 435 | I | 91.6 | Very high | 90.8 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 178.9 | -68.7 | 165.1 | 0 | 0 | 0 | 110.2 | L431 S432 S437 A438 V439 | L431-I435 VanDerWaalsContact O-CG1 3.29Å; L431-I435 WeakPolarHBondContact O-CG1 3.21Å; L431-I435 PolarHBondContact O-N 3.17Å; S432-I435 PolarHBondContact O-N 2.91Å; I435-S437 VanDerWaalsContact C-N 3.3Å; I435-S437 PolarHBondContact O-N 2.99Å; I435-A438 PolarHBondContact O-N 2.97Å; I435-V439 HydrophobicContact CG2-CG2 4.36Å; I435-V439 WeakPolarHBondContact O-CG2 3.3Å; I435-V439 PolarHBondContact O-N 3.41Å |
| 436 | V | 93.6 | Very high | 91.2 | Very high | 72 Ų | 72 | 42.8 Ų | 42.8 | 44% | 0.436 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | S432 V439 V440 | S432-V436 VanDerWaalsContact O-CG2 3.32Å; S432-V436 WeakPolarHBondContact O-CG2 3.42Å; S432-V436 PolarHBondContact O-N 2.79Å; V436-V439 PolarHBondContact O-N 3.14Å; V436-V440 VanDerWaalsContact O-CG2 3.31Å; V436-V440 WeakPolarHBondContact O-CG2 3.27Å; V436-V440 PolarHBondContact O-N 3.13Å |
| 437 | S | 93.1 | Very high | 91.6 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -48 | 175.8 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | V433 F434 I435 V439 V440 H441 | V433-S437 VanDerWaalsContact O-CB 3.31Å; V433-S437 WeakPolarHBondContact O-CB 3.45Å; V433-S437 PolarHBondContact O-N 3.25Å; F434-S437 PolarHBondContact O-N 2.97Å; I435-S437 VanDerWaalsContact C-N 3.3Å; I435-S437 PolarHBondContact O-N 2.99Å; S437-V439 PolarHBondContact O-N 3.37Å; S437-V440 PolarHBondContact O-N 2.69Å; S437-H441 PolarHBondContact O-N 3.34Å; S437-H441 PolarHBondContact O-ND1 3.38Å; S437-H441 PolarHBondContact OG-CE1 3.31Å; S437-H441 VanDerWaalsContact OG-CE1 3.3Å; S437-H441 PolarHBondContact OG-ND1 2.75Å |
| 438 | A | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F434 I435 H441 E442 F457 F460 A461 | F434-A438 WeakPolarHBondContact O-CB 3.49Å; F434-A438 PolarHBondContact O-N 3Å; I435-A438 PolarHBondContact O-N 2.97Å; A438-H441 PolarHBondContact O-N 3.08Å; A438-E442 WeakPolarHBondContact O-CB 3.2Å; A438-E442 PolarHBondContact O-N 3.06Å; A438-F457 HydrophobicContact CB-CD2 3.8Å; A438-F457 HydrophobicContact CB-CE2 4.15Å; A438-F460 HydrophobicContact CB-CB 3.83Å; A438-A461 HydrophobicContact CB-CB 4.31Å |
| 439 | V | 94.8 | Very high | 92 | Very high | 76 Ų | 76 | 37.6 Ų | 37.6 | 46% | 0.461 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | I435 V436 S437 E442 Y443 F457 | I435-V439 HydrophobicContact CG2-CG2 4.36Å; I435-V439 WeakPolarHBondContact O-CG2 3.3Å; I435-V439 PolarHBondContact O-N 3.41Å; V436-V439 PolarHBondContact O-N 3.14Å; S437-V439 PolarHBondContact O-N 3.37Å; V439-E442 PolarHBondContact O-N 2.98Å; V439-Y443 VanDerWaalsContact O-CB 3.26Å; V439-Y443 WeakPolarHBondContact O-CB 3.37Å; V439-Y443 PolarHBondContact O-N 3.32Å; V439-F457 HydrophobicContact CG2-CD2 4.18Å; V439-F457 HydrophobicContact CG2-CE2 3.85Å |
| 440 | V | 95.3 | Very high | 92 | Very high | 56 Ų | 56 | 39 Ų | 39 | 34% | 0.339 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.9 | -38 | 179.3 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | I241 V436 S437 Y443 A444 | I241-V440 HydrophobicContact CD1-CG1 3.93Å; I241-V440 HydrophobicContact CG1-CG1 4.39Å; I241-V440 HydrophobicContact CG2-CG1 4.18Å; V436-V440 VanDerWaalsContact O-CG2 3.31Å; V436-V440 WeakPolarHBondContact O-CG2 3.27Å; V436-V440 PolarHBondContact O-N 3.13Å; S437-V440 PolarHBondContact O-N 2.69Å; V440-Y443 PolarHBondContact O-N 3.2Å; V440-A444 WeakPolarHBondContact O-CB 3.26Å; V440-A444 PolarHBondContact O-N 3.01Å |
| 441 | H | 94 | Very high | 92 | Very high | 70 Ų | 70 | 36.7 Ų | 36.7 | 32% | 0.324 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 174.6 | -74.3 | 82.3 | 0 | 0 | 0 | 111.5 | S437 A438 Y443 A444 L445 M456 | S437-H441 PolarHBondContact O-N 3.34Å; S437-H441 PolarHBondContact O-ND1 3.38Å; S437-H441 PolarHBondContact OG-CE1 3.31Å; S437-H441 VanDerWaalsContact OG-CE1 3.3Å; S437-H441 PolarHBondContact OG-ND1 2.75Å; A438-H441 PolarHBondContact O-N 3.08Å; H441-Y443 VanDerWaalsContact C-N 3.34Å; H441-A444 PolarHBondContact O-N 3.29Å; H441-L445 WeakPolarHBondContact O-CG 3.16Å; H441-L445 PolarHBondContact O-N 3.3Å; H441-M456 HydrophobicContact CB-CE 3.86Å; H441-M456 HydrophobicContact CB-CG 3.87Å |
| 442 | E | 94.5 | Very high | 92 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.2 | -172.9 | 59.4 | -140.6 | 0 | 0 | 111.3 | A438 V439 A444 L445 A446 F452 Y453 P454 M456 F457 Y499 | A438-E442 WeakPolarHBondContact O-CB 3.2Å; A438-E442 PolarHBondContact O-N 3.06Å; V439-E442 PolarHBondContact O-N 2.98Å; E442-A444 VanDerWaalsContact C-N 3.35Å; E442-A444 PolarHBondContact O-N 2.98Å; E442-L445 PolarHBondContact O-N 3.19Å; E442-A446 WeakPolarHBondContact O-CB 3.38Å; E442-A446 PolarHBondContact O-N 3.42Å; E442-F452 HydrophobicContact CG-CD2 4.47Å; E442-F452 HydrophobicContact CG-CE2 3.85Å; E442-Y453 VanDerWaalsContact OE1-C 3.27Å; E442-P454 VanDerWaalsContact CD-CA 3.47Å; E442-P454 WeakPolarHBondContact OE1-CA 3.47Å; E442-P454 WeakPolarHBondContact OE2-CA 3.28Å; E442-M456 WeakPolarHBondContact OE2-CB 3.28Å; E442-M456 PolarHBondContact OE2-N 3.24Å; E442-F457 HydrophobicContact CB-CB 4.11Å; E442-F457 HydrophobicContact CG-CB 4.18Å; E442-F457 PolarHBondContact OE2-N 3.02Å; E442-F457 VanDerWaalsContact OE2-N 3.08Å; E442-Y499 PolarHBondContact OE2-OH 3.11Å |
| 443 | Y | 94.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 36.8 Ų | 36.8 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 174.3 | 169.7 | -106.7 | 0 | 0 | 0 | 112.2 | I220 I237 Q240 I241 V439 V440 H441 A446 M447 | I220-Y443 HydrophobicContact CD1-CE2 3.94Å; I220-Y443 WeakPolarHBondContact CD1-OH 3.5Å; I220-Y443 HydrophobicContact CG1-CE2 4.27Å; I220-Y443 WeakPolarHBondContact CG1-OH 3.48Å; I237-Y443 HydrophobicContact CG2-CD1 4.23Å; I237-Y443 HydrophobicContact CG2-CE1 3.69Å; Q240-Y443 PolarHBondContact NE2-OH 3.09Å; Q240-Y443 PolarHBondContact OE1-OH 2.9Å; I241-Y443 HydrophobicContact CD1-CD1 4.17Å; I241-Y443 HydrophobicContact CD1-CE1 4.35Å; I241-Y443 HydrophobicContact CG1-CE1 4.37Å; V439-Y443 VanDerWaalsContact O-CB 3.26Å; V439-Y443 WeakPolarHBondContact O-CB 3.37Å; V439-Y443 PolarHBondContact O-N 3.32Å; V440-Y443 PolarHBondContact O-N 3.2Å; H441-Y443 VanDerWaalsContact C-N 3.34Å; Y443-A446 PolarHBondContact O-N 2.97Å; Y443-M447 HydrophobicContact CD2-CG 3.74Å; Y443-M447 HydrophobicContact CE2-CG 3.39Å; Y443-M447 HydrophobicContact CE2-SD 4.23Å; Y443-M447 WeakPolarHBondContact O-CB 3.44Å; Y443-M447 WeakPolarHBondContact O-CG 3.43Å; Y443-M447 PolarHBondContact O-N 2.94Å |
| 444 | A | 94.9 | Very high | 91.8 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | F234 L238 I241 V440 H441 E442 G448 | F234-A444 VanDerWaalsContact CE1-O 3.31Å; F234-A444 WeakPolarHBondContact CE1-O 3.41Å; L238-A444 HydrophobicContact CD2-CB 4.49Å; I241-A444 HydrophobicContact CD1-CB 4.05Å; V440-A444 WeakPolarHBondContact O-CB 3.26Å; V440-A444 PolarHBondContact O-N 3.01Å; H441-A444 PolarHBondContact O-N 3.29Å; E442-A444 VanDerWaalsContact C-N 3.35Å; E442-A444 PolarHBondContact O-N 2.98Å; A444-G448 WeakPolarHBondContact O-CA 3.17Å; A444-G448 PolarHBondContact O-N 3.49Å |
| 445 | L | 93.4 | Very high | 91.8 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 18% | 0.183 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.5 | -43.6 | 177.6 | -65.6 | 178.4 | 0 | 0 | 0 | 111.8 | F234 H441 E442 M447 G448 F449 M456 Y499 | F234-L445 HydrophobicContact CE1-CD2 4.03Å; F234-L445 HydrophobicContact CZ-CD2 3.99Å; H441-L445 WeakPolarHBondContact O-CG 3.16Å; H441-L445 PolarHBondContact O-N 3.3Å; E442-L445 PolarHBondContact O-N 3.19Å; L445-M447 PolarHBondContact O-N 3.48Å; L445-G448 PolarHBondContact O-N 2.97Å; L445-F449 HydrophobicContact CB-CD2 4.32Å; L445-F449 HydrophobicContact CB-CE2 4.42Å; L445-F449 HydrophobicContact CD2-CE2 3.96Å; L445-F449 VanDerWaalsContact O-CD2 3.29Å; L445-F449 WeakPolarHBondContact O-CD2 3.47Å; L445-F449 PolarHBondContact O-N 2.9Å; L445-M456 HydrophobicContact CD1-CB 3.54Å; L445-M456 HydrophobicContact CD1-CG 3.67Å; L445-M456 HydrophobicContact CD1-SD 4.34Å; L445-Y499 HydrophobicContact CB-CE1 4.47Å; L445-Y499 HydrophobicContact CD1-CE2 3.8Å |
| 446 | A | 92 | Very high | 91.7 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E442 Y443 G450 F451 F452 | E442-A446 WeakPolarHBondContact O-CB 3.38Å; E442-A446 PolarHBondContact O-N 3.42Å; Y443-A446 PolarHBondContact O-N 2.97Å; A446-G450 CarbonylContact O-C 3.51Å; A446-G450 WeakPolarHBondContact O-CA 3.15Å; A446-G450 PolarHBondContact O-N 3.01Å; A446-F451 WeakPolarHBondContact CA-O 3.45Å; A446-F451 WeakPolarHBondContact CB-O 3.47Å; A446-F451 PolarHBondContact O-N 3.33Å; A446-F451 VanDerWaalsContact O-N 3.14Å; A446-F452 HydrophobicContact CB-CD2 4.2Å |
| 447 | M | 91.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 14% | 0.143 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.8 | -31.1 | 174.8 | -64.8 | -55.6 | -55.1 | 0 | 0 | 112.6 | I220 V223 V224 R233 I237 Y443 L445 | I220-M447 HydrophobicContact CB-CE 4.25Å; I220-M447 HydrophobicContact CG1-CE 4.24Å; I220-M447 HydrophobicContact CG2-CE 3.81Å; I220-M447 HydrophobicContact CG2-SD 4.49Å; V223-M447 HydrophobicContact CB-CE 4.36Å; V223-M447 HydrophobicContact CG1-CE 3.87Å; V224-M447 HydrophobicContact CG2-CE 3.84Å; R233-M447 VanDerWaalsContact CD-O 3.29Å; R233-M447 WeakPolarHBondContact CD-O 3.28Å; I237-M447 HydrophobicContact CD1-CB 3.83Å; I237-M447 HydrophobicContact CD1-CE 4.43Å; I237-M447 HydrophobicContact CD1-CG 4.21Å; I237-M447 HydrophobicContact CG1-CB 3.72Å; I237-M447 HydrophobicContact CG2-CB 4.29Å; Y443-M447 HydrophobicContact CD2-CG 3.74Å; Y443-M447 HydrophobicContact CE2-CG 3.39Å; Y443-M447 HydrophobicContact CE2-SD 4.23Å; Y443-M447 WeakPolarHBondContact O-CB 3.44Å; Y443-M447 WeakPolarHBondContact O-CG 3.43Å; Y443-M447 PolarHBondContact O-N 2.94Å; L445-M447 PolarHBondContact O-N 3.48Å |
| 448 | G | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.3 | -47.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P230 R233 A444 L445 | P230-G448 WeakPolarHBondContact CA-O 3.29Å; R233-G448 WeakPolarHBondContact CD-O 3.3Å; A444-G448 WeakPolarHBondContact O-CA 3.17Å; A444-G448 PolarHBondContact O-N 3.49Å; L445-G448 PolarHBondContact O-N 2.97Å |
| 449 | F | 90.1 | Very high | 91.2 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 22% | 0.219 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -82.7 | -24.6 | 175.7 | -63.9 | -58.9 | 0 | 0 | 0 | 112.7 | R233 F234 L445 F451 Y499 W503 | R233-F449 PolarHBondContact NH1-O 2.94Å; F234-F449 HydrophobicContact CE2-CD1 4.26Å; F234-F449 HydrophobicContact CE2-CE1 4.1Å; F234-F449 HydrophobicContact CE2-CZ 4.27Å; F234-F449 HydrophobicContact CZ-CD2 4.28Å; F234-F449 HydrophobicContact CZ-CE1 4.4Å; F234-F449 HydrophobicContact CZ-CE2 4.1Å; F234-F449 HydrophobicContact CZ-CZ 4.15Å; L445-F449 HydrophobicContact CB-CD2 4.32Å; L445-F449 HydrophobicContact CB-CE2 4.42Å; L445-F449 HydrophobicContact CD2-CE2 3.96Å; L445-F449 VanDerWaalsContact O-CD2 3.29Å; L445-F449 WeakPolarHBondContact O-CD2 3.47Å; L445-F449 PolarHBondContact O-N 2.9Å; F449-F451 HydrophobicContact CB-CD1 3.91Å; F449-F451 HydrophobicContact CB-CE1 3.59Å; F449-F451 HydrophobicContact CB-CE2 4.35Å; F449-F451 HydrophobicContact CB-CG 4.45Å; F449-F451 HydrophobicContact CB-CZ 3.81Å; F449-F451 HydrophobicContact CG-CE1 4.35Å; F449-F451 HydrophobicContact CG-CZ 4.22Å; F449-Y499 AromaticContact CD2-CD1 3.92Å; F449-Y499 HydrophobicContact CD2-CD1 3.92Å; F449-Y499 HydrophobicContact CD2-CE1 4.41Å; F449-Y499 HydrophobicContact CD2-CG 4.46Å; F449-Y499 AromaticContact CE2-CD1 3.95Å; F449-Y499 HydrophobicContact CE2-CD1 3.95Å; F449-Y499 HydrophobicContact CE2-CG 4.05Å; F449-W503 HydrophobicContact CB-CE3 4.22Å; F449-W503 HydrophobicContact CB-CZ3 4.4Å; F449-W503 AromaticContact CD1-CE3 3.95Å; F449-W503 HydrophobicContact CD1-CE3 3.95Å; F449-W503 HydrophobicContact CD1-CZ3 4.35Å; F449-W503 VanDerWaalsContact O-CZ3 3.27Å; F449-W503 WeakPolarHBondContact O-CZ3 3.25Å |
| 450 | G | 87.1 | Confident | 90.6 | Very high | 31 Ų | 31 | 34.8 Ų | 34.8 | 32% | 0.32 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 19.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R233 A446 | R233-G450 VanDerWaalsContact NH1-CA 3.28Å; A446-G450 CarbonylContact O-C 3.51Å; A446-G450 WeakPolarHBondContact O-CA 3.15Å; A446-G450 PolarHBondContact O-N 3.01Å |
| 451 | F | 86.6 | Confident | 90.1 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -144.5 | 154.7 | 173.5 | 58 | -106.9 | 0 | 0 | 0 | 111.1 | A446 F449 Y499 E502 W503 Q506 | A446-F451 WeakPolarHBondContact CA-O 3.45Å; A446-F451 WeakPolarHBondContact CB-O 3.47Å; A446-F451 PolarHBondContact O-N 3.33Å; A446-F451 VanDerWaalsContact O-N 3.14Å; F449-F451 HydrophobicContact CB-CD1 3.91Å; F449-F451 HydrophobicContact CB-CE1 3.59Å; F449-F451 HydrophobicContact CB-CE2 4.35Å; F449-F451 HydrophobicContact CB-CG 4.45Å; F449-F451 HydrophobicContact CB-CZ 3.81Å; F449-F451 HydrophobicContact CG-CE1 4.35Å; F449-F451 HydrophobicContact CG-CZ 4.22Å; F451-Y499 AromaticContact CE2-CD1 3.88Å; F451-Y499 HydrophobicContact CE2-CD1 3.88Å; F451-Y499 HydrophobicContact CE2-CE1 4.35Å; F451-Y499 HydrophobicContact CZ-CD1 4.22Å; F451-E502 HydrophobicContact CD1-CG 4.5Å; F451-E502 HydrophobicContact CD2-CG 3.7Å; F451-E502 HydrophobicContact CE1-CG 4.24Å; F451-E502 HydrophobicContact CE2-CB 3.9Å; F451-E502 HydrophobicContact CE2-CG 3.45Å; F451-E502 VanDerWaalsContact CE2-CG 3.45Å; F451-E502 HydrophobicContact CG-CG 4.25Å; F451-E502 HydrophobicContact CZ-CB 3.91Å; F451-E502 HydrophobicContact CZ-CG 3.75Å; F451-W503 HydrophobicContact CE1-CB 4.1Å; F451-W503 AromaticContact CE1-CE3 3.87Å; F451-W503 HydrophobicContact CE1-CE3 3.87Å; F451-W503 HydrophobicContact CZ-CB 4.37Å; F451-Q506 VanDerWaalsContact CD1-CD 3.49Å; F451-Q506 VanDerWaalsContact CD1-OE1 3.23Å |
| 452 | F | 88.4 | Confident | 89.6 | Confident | 76 Ų | 76 | 34 Ų | 34 | 33% | 0.333 | 19% | 0.188 | S | C | . | . | trans | -95.8 | 115.3 | 178.3 | -177.2 | -107.7 | 0 | 0 | 0 | 110.7 | E442 A446 P454 L520 | E442-F452 HydrophobicContact CG-CD2 4.47Å; E442-F452 HydrophobicContact CG-CE2 3.85Å; A446-F452 HydrophobicContact CB-CD2 4.2Å; F452-P454 HydrophobicContact CE1-CB 4.15Å; F452-P454 HydrophobicContact CE1-CG 3.89Å; F452-P454 HydrophobicContact CE2-CB 4.41Å; F452-P454 HydrophobicContact CZ-CB 3.81Å; F452-P454 HydrophobicContact CZ-CG 4.08Å; F452-L520 HydrophobicContact CB-CD2 4.23Å; F452-L520 HydrophobicContact CD1-CD2 3.55Å; F452-L520 HydrophobicContact CE1-CD2 4.11Å; F452-L520 HydrophobicContact CG-CD2 4.01Å | ||
| 453 | Y | 88.2 | Confident | 89.1 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | trans | -142 | 97.9 | 173.1 | -170.4 | -146.6 | 0 | 0 | 0 | 110.8 | E442 V455 L498 Y499 E502 P522 W525 | E442-Y453 VanDerWaalsContact OE1-C 3.27Å; Y453-V455 HydrophobicContact CD1-CG2 3.57Å; Y453-V455 HydrophobicContact CD2-CG2 4.19Å; Y453-V455 HydrophobicContact CE1-CG2 3.41Å; Y453-V455 VanDerWaalsContact CE1-CG2 3.41Å; Y453-V455 HydrophobicContact CE2-CG2 3.98Å; Y453-V455 HydrophobicContact CG-CG2 3.96Å; Y453-V455 PolarHBondContact O-N 2.87Å; Y453-L498 HydrophobicContact CE1-CB 3.75Å; Y453-L498 HydrophobicContact CE1-CG 4.48Å; Y453-Y499 PolarHBondContact O-OH 2.97Å; Y453-E502 HydrophobicContact CD1-CB 4.15Å; Y453-E502 HydrophobicContact CD1-CG 4.41Å; Y453-P522 HydrophobicContact CD2-CB 3.72Å; Y453-P522 HydrophobicContact CD2-CG 4.22Å; Y453-P522 HydrophobicContact CE2-CB 3.78Å; Y453-P522 HydrophobicContact CE2-CG 4.07Å; Y453-W525 PolarHBondContact OH-NE1 2.94Å | ||
| 454 | P | 89 | Confident | 88.5 | Confident | 44 Ų | 44 | 36 Ų | 36 | 29% | 0.286 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 36.8 | -161.9 | 31.6 | -37.2 | 0 | 0 | 0 | 115.7 | E442 F452 F457 C458 | E442-P454 VanDerWaalsContact CD-CA 3.47Å; E442-P454 WeakPolarHBondContact OE1-CA 3.47Å; E442-P454 WeakPolarHBondContact OE2-CA 3.28Å; F452-P454 HydrophobicContact CE1-CB 4.15Å; F452-P454 HydrophobicContact CE1-CG 3.89Å; F452-P454 HydrophobicContact CE2-CB 4.41Å; F452-P454 HydrophobicContact CZ-CB 3.81Å; F452-P454 HydrophobicContact CZ-CG 4.08Å; P454-F457 HydrophobicContact CB-CB 4.25Å; P454-C458 WeakPolarHBondContact O-CB 3.35Å; P454-C458 PolarHBondContact O-N 2.95Å; P454-C458 PolarHBondContact O-SG 2.85Å |
| 455 | V | 90.3 | Very high | 87.8 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | Y453 C458 L459 V494 L498 Y499 | Y453-V455 HydrophobicContact CD1-CG2 3.57Å; Y453-V455 HydrophobicContact CD2-CG2 4.19Å; Y453-V455 HydrophobicContact CE1-CG2 3.41Å; Y453-V455 VanDerWaalsContact CE1-CG2 3.41Å; Y453-V455 HydrophobicContact CE2-CG2 3.98Å; Y453-V455 HydrophobicContact CG-CG2 3.96Å; Y453-V455 PolarHBondContact O-N 2.87Å; V455-C458 PolarHBondContact O-N 2.85Å; V455-L459 HydrophobicContact CG1-CD1 3.84Å; V455-L459 HydrophobicContact CG1-CG 4.35Å; V455-L459 WeakPolarHBondContact O-CB 3.38Å; V455-L459 VanDerWaalsContact O-CG 3.28Å; V455-L459 WeakPolarHBondContact O-CG 3.33Å; V455-L459 PolarHBondContact O-N 3.22Å; V455-V494 HydrophobicContact CG1-CG1 4.3Å; V455-L498 HydrophobicContact CB-CD1 4.45Å; V455-L498 HydrophobicContact CG1-CB 4.5Å; V455-L498 HydrophobicContact CG1-CD1 3.81Å; V455-L498 HydrophobicContact CG2-CB 4.14Å; V455-L498 HydrophobicContact CG2-CD1 3.71Å; V455-Y499 HydrophobicContact CB-CE2 4.22Å |
| 456 | M | 89.3 | Confident | 87.4 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 179.7 | -175.9 | 66.1 | 163.2 | 0 | 0 | 111.4 | H441 E442 L445 C458 L459 F460 Q495 Y499 | H441-M456 HydrophobicContact CB-CE 3.86Å; H441-M456 HydrophobicContact CB-CG 3.87Å; E442-M456 WeakPolarHBondContact OE2-CB 3.28Å; E442-M456 PolarHBondContact OE2-N 3.24Å; L445-M456 HydrophobicContact CD1-CB 3.54Å; L445-M456 HydrophobicContact CD1-CG 3.67Å; L445-M456 HydrophobicContact CD1-SD 4.34Å; M456-C458 PolarHBondContact O-N 3.38Å; M456-L459 PolarHBondContact O-N 3.06Å; M456-F460 HydrophobicContact CE-CD2 3.62Å; M456-F460 HydrophobicContact CE-CE2 3.04Å; M456-F460 HydrophobicContact CE-CZ 3.71Å; M456-F460 HydrophobicContact CG-CD2 4.2Å; M456-F460 PolarHBondContact O-N 2.97Å; M456-F460 HydrophobicContact SD-CD2 3.52Å; M456-F460 VanDerWaalsContact SD-CD2 3.52Å; M456-F460 HydrophobicContact SD-CE2 3.4Å; M456-F460 WeakPolarHBondContact SD-CE2 3.31Å; M456-Q495 PolarHBondContact SD-NE2 3.46Å; M456-Y499 HydrophobicContact CB-CE2 4.46Å; M456-Y499 WeakPolarHBondContact CB-OH 3.21Å; M456-Y499 PolarHBondContact N-OH 3.41Å |
| 457 | F | 91.2 | Very high | 86.9 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 30% | 0.298 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56 | -50.3 | 172.5 | 179.8 | -96 | 0 | 0 | 0 | 111.9 | A438 V439 E442 P454 L459 F460 A461 | A438-F457 HydrophobicContact CB-CD2 3.8Å; A438-F457 HydrophobicContact CB-CE2 4.15Å; V439-F457 HydrophobicContact CG2-CD2 4.18Å; V439-F457 HydrophobicContact CG2-CE2 3.85Å; E442-F457 HydrophobicContact CB-CB 4.11Å; E442-F457 HydrophobicContact CG-CB 4.18Å; E442-F457 PolarHBondContact OE2-N 3.02Å; E442-F457 VanDerWaalsContact OE2-N 3.08Å; P454-F457 HydrophobicContact CB-CB 4.25Å; F457-L459 PolarHBondContact O-N 3.38Å; F457-F460 PolarHBondContact O-N 3.44Å; F457-A461 HydrophobicContact CD1-CB 4.45Å; F457-A461 HydrophobicContact CE1-CB 4.14Å; F457-A461 HydrophobicContact CE2-CB 4.23Å; F457-A461 HydrophobicContact CZ-CB 4.02Å; F457-A461 WeakPolarHBondContact O-CB 3.23Å; F457-A461 PolarHBondContact O-N 3.29Å |
| 458 | C | 90.4 | Very high | 86.4 | Confident | 58 Ų | 58 | 39.2 Ų | 39.2 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 179.3 | -73.3 | 0 | 0 | 0 | 0 | 112.6 | P454 V455 M456 F460 V462 | P454-C458 WeakPolarHBondContact O-CB 3.35Å; P454-C458 PolarHBondContact O-N 2.95Å; P454-C458 PolarHBondContact O-SG 2.85Å; V455-C458 PolarHBondContact O-N 2.85Å; M456-C458 PolarHBondContact O-N 3.38Å; C458-F460 PolarHBondContact O-N 2.94Å; C458-V462 VanDerWaalsContact O-CB 3.26Å; C458-V462 WeakPolarHBondContact O-CB 3.46Å; C458-V462 PolarHBondContact O-N 3.32Å |
| 459 | L | 87.6 | Confident | 85.7 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -62.3 | -42.4 | 177.2 | -73.1 | 173.1 | 0 | 0 | 0 | 112.1 | V455 M456 F457 F463 G464 V494 Q495 | V455-L459 HydrophobicContact CG1-CD1 3.84Å; V455-L459 HydrophobicContact CG1-CG 4.35Å; V455-L459 WeakPolarHBondContact O-CB 3.38Å; V455-L459 VanDerWaalsContact O-CG 3.28Å; V455-L459 WeakPolarHBondContact O-CG 3.33Å; V455-L459 PolarHBondContact O-N 3.22Å; M456-L459 PolarHBondContact O-N 3.06Å; F457-L459 PolarHBondContact O-N 3.38Å; L459-F463 HydrophobicContact CD2-CD2 4.02Å; L459-F463 HydrophobicContact CD2-CE2 4.38Å; L459-F463 WeakPolarHBondContact O-CB 3.45Å; L459-F463 PolarHBondContact O-N 3.42Å; L459-G464 PolarHBondContact O-N 2.88Å; L459-V494 HydrophobicContact CD1-CG1 4.49Å; L459-Q495 HydrophobicContact CD1-CG 3.4Å; L459-Q495 VanDerWaalsContact CD1-CG 3.4Å |
| 460 | F | 82 | Confident | 85.1 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -78.2 | -47.7 | 179.1 | -90.1 | -101.3 | 0 | 0 | 0 | 113.3 | Y398 A438 M456 F457 C458 G464 V465 | Y398-F460 HydrophobicContact CE1-CD1 4.28Å; Y398-F460 AromaticContact CE1-CE1 3.69Å; Y398-F460 HydrophobicContact CE1-CE1 3.69Å; Y398-F460 HydrophobicContact CE1-CZ 4.42Å; A438-F460 HydrophobicContact CB-CB 3.83Å; M456-F460 HydrophobicContact CE-CD2 3.62Å; M456-F460 HydrophobicContact CE-CE2 3.04Å; M456-F460 HydrophobicContact CE-CZ 3.71Å; M456-F460 HydrophobicContact CG-CD2 4.2Å; M456-F460 PolarHBondContact O-N 2.97Å; M456-F460 HydrophobicContact SD-CD2 3.52Å; M456-F460 VanDerWaalsContact SD-CD2 3.52Å; M456-F460 HydrophobicContact SD-CE2 3.4Å; M456-F460 WeakPolarHBondContact SD-CE2 3.31Å; F457-F460 PolarHBondContact O-N 3.44Å; C458-F460 PolarHBondContact O-N 2.94Å; F460-G464 WeakPolarHBondContact O-CA 3.43Å; F460-G464 PolarHBondContact O-N 2.79Å; F460-V465 PolarHBondContact O-N 3.15Å |
| 461 | A | 84.8 | Confident | 84.3 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 17% | 0.165 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -76.6 | -36.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A438 F457 V465 | A438-A461 HydrophobicContact CB-CB 4.31Å; F457-A461 HydrophobicContact CD1-CB 4.45Å; F457-A461 HydrophobicContact CE1-CB 4.14Å; F457-A461 HydrophobicContact CE2-CB 4.23Å; F457-A461 HydrophobicContact CZ-CB 4.02Å; F457-A461 WeakPolarHBondContact O-CB 3.23Å; F457-A461 PolarHBondContact O-N 3.29Å; A461-V465 VanDerWaalsContact O-CB 3.26Å; A461-V465 WeakPolarHBondContact O-CB 3.26Å; A461-V465 WeakPolarHBondContact O-CG2 3.15Å |
| 462 | V | 84.7 | Confident | 83.6 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -91 | -63.7 | -179.7 | -176 | 0 | 0 | 0 | 0 | 109.8 | C458 A466 | C458-V462 VanDerWaalsContact O-CB 3.26Å; C458-V462 WeakPolarHBondContact O-CB 3.46Å; C458-V462 PolarHBondContact O-N 3.32Å; V462-A466 VanDerWaalsContact O-CB 3.23Å; V462-A466 WeakPolarHBondContact O-CB 3.28Å; V462-A466 PolarHBondContact O-N 2.97Å |
| 463 | F | 83.1 | Confident | 82.6 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 47% | 0.465 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -72.7 | -41.4 | -174.5 | -63.9 | -85 | 0 | 0 | 0 | 111.8 | L459 V465 A466 F467 | L459-F463 HydrophobicContact CD2-CD2 4.02Å; L459-F463 HydrophobicContact CD2-CE2 4.38Å; L459-F463 WeakPolarHBondContact O-CB 3.45Å; L459-F463 PolarHBondContact O-N 3.42Å; F463-V465 VanDerWaalsContact C-N 3.34Å; F463-V465 PolarHBondContact O-N 3.2Å; F463-A466 PolarHBondContact O-N 3.16Å; F463-F467 HydrophobicContact CB-CD2 4.21Å; F463-F467 HydrophobicContact CB-CE2 3.84Å; F463-F467 HydrophobicContact CB-CZ 4.37Å; F463-F467 HydrophobicContact CD1-CE2 4.45Å; F463-F467 HydrophobicContact CD1-CZ 4.19Å; F463-F467 VanDerWaalsContact O-CB 3.32Å; F463-F467 WeakPolarHBondContact O-CB 3.38Å; F463-F467 WeakPolarHBondContact O-CD2 3.27Å; F463-F467 WeakPolarHBondContact O-CG 3.23Å; F463-F467 PolarHBondContact O-N 2.94Å |
| 464 | G | 81.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -59.8 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L459 F460 N468 | L459-G464 PolarHBondContact O-N 2.88Å; F460-G464 WeakPolarHBondContact O-CA 3.43Å; F460-G464 PolarHBondContact O-N 2.79Å; G464-N468 VanDerWaalsContact O-CB 3.25Å; G464-N468 WeakPolarHBondContact O-CB 3.45Å; G464-N468 PolarHBondContact O-N 2.9Å |
| 465 | V | 81.9 | Confident | 80.4 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70 | -46.8 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | L431 F434 F460 A461 F463 F467 N468 F469 | L431-V465 HydrophobicContact CD2-CB 4.49Å; L431-V465 HydrophobicContact CD2-CG1 3.55Å; L431-V465 HydrophobicContact CD2-CG2 4.02Å; F434-V465 HydrophobicContact CB-CG2 4.31Å; F434-V465 HydrophobicContact CG-CG2 4.43Å; F460-V465 PolarHBondContact O-N 3.15Å; A461-V465 VanDerWaalsContact O-CB 3.26Å; A461-V465 WeakPolarHBondContact O-CB 3.26Å; A461-V465 WeakPolarHBondContact O-CG2 3.15Å; F463-V465 VanDerWaalsContact C-N 3.34Å; F463-V465 PolarHBondContact O-N 3.2Å; V465-F467 VanDerWaalsContact C-N 3.32Å; V465-F467 PolarHBondContact O-N 3.41Å; V465-N468 PolarHBondContact O-N 3.46Å; V465-F469 HydrophobicContact CG1-CD2 3.82Å; V465-F469 HydrophobicContact CG1-CE2 3.67Å; V465-F469 VanDerWaalsContact O-CD2 3.26Å; V465-F469 WeakPolarHBondContact O-CD2 3.3Å; V465-F469 PolarHBondContact O-N 3.48Å; V465-F469 VanDerWaalsContact O-N 3.14Å |
| 466 | A | 83.6 | Confident | 79.4 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V462 F463 F469 A470 | V462-A466 VanDerWaalsContact O-CB 3.23Å; V462-A466 WeakPolarHBondContact O-CB 3.28Å; V462-A466 PolarHBondContact O-N 2.97Å; F463-A466 PolarHBondContact O-N 3.16Å; A466-F469 PolarHBondContact O-N 3.06Å; A466-A470 WeakPolarHBondContact O-CB 3.48Å; A466-A470 PolarHBondContact O-N 3.18Å |
| 467 | F | 82.4 | Confident | 79 | Confident | 58 Ų | 58 | 60.3 Ų | 60.3 | 25% | 0.254 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70 | -34.3 | 178.4 | -64.1 | -34.4 | 0 | 0 | 0 | 113.2 | F394 F463 V465 F469 A470 M471 C487 | F394-F467 HydrophobicContact CB-CB 4.33Å; F394-F467 HydrophobicContact CD2-CB 3.43Å; F394-F467 VanDerWaalsContact CD2-CB 3.43Å; F394-F467 HydrophobicContact CD2-CD2 4.24Å; F394-F467 HydrophobicContact CD2-CG 4.05Å; F394-F467 HydrophobicContact CE1-CD2 4.27Å; F394-F467 HydrophobicContact CE2-CB 3.77Å; F394-F467 AromaticContact CE2-CD2 3.74Å; F394-F467 HydrophobicContact CE2-CD2 3.74Å; F394-F467 HydrophobicContact CE2-CE2 4.49Å; F394-F467 AromaticContact CE2-CG 3.83Å; F394-F467 HydrophobicContact CE2-CG 3.83Å; F394-F467 HydrophobicContact CG-CB 3.86Å; F394-F467 HydrophobicContact CZ-CB 4.48Å; F394-F467 AromaticContact CZ-CD2 3.76Å; F394-F467 HydrophobicContact CZ-CD2 3.76Å; F394-F467 HydrophobicContact CZ-CE2 4.32Å; F394-F467 HydrophobicContact CZ-CG 4.33Å; F463-F467 HydrophobicContact CB-CD2 4.21Å; F463-F467 HydrophobicContact CB-CE2 3.84Å; F463-F467 HydrophobicContact CB-CZ 4.37Å; F463-F467 HydrophobicContact CD1-CE2 4.45Å; F463-F467 HydrophobicContact CD1-CZ 4.19Å; F463-F467 VanDerWaalsContact O-CB 3.32Å; F463-F467 WeakPolarHBondContact O-CB 3.38Å; F463-F467 WeakPolarHBondContact O-CD2 3.27Å; F463-F467 WeakPolarHBondContact O-CG 3.23Å; F463-F467 PolarHBondContact O-N 2.94Å; V465-F467 VanDerWaalsContact C-N 3.32Å; V465-F467 PolarHBondContact O-N 3.41Å; F467-F469 VanDerWaalsContact C-N 3.29Å; F467-F469 PolarHBondContact O-N 3.08Å; F467-A470 PolarHBondContact O-N 3.41Å; F467-M471 WeakPolarHBondContact O-CB 3.5Å; F467-M471 PolarHBondContact O-N 3.11Å; F467-C487 HydrophobicContact CE2-CB 4.23Å |
| 468 | N | 80.3 | Confident | 78.9 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 175.1 | -170.7 | 29.8 | 0 | 0 | 0 | 111.9 | A395 M430 F434 G464 V465 | A395-N468 VanDerWaalsContact CB-OD1 3.24Å; A395-N468 WeakPolarHBondContact CB-OD1 3.22Å; M430-N468 PolarHBondContact SD-ND2 2.85Å; F434-N468 WeakPolarHBondContact CE2-ND2 3.26Å; G464-N468 VanDerWaalsContact O-CB 3.25Å; G464-N468 WeakPolarHBondContact O-CB 3.45Å; G464-N468 PolarHBondContact O-N 2.9Å; V465-N468 PolarHBondContact O-N 3.46Å |
| 469 | F | 77.9 | Confident | 78.8 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 45% | 0.452 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -80.1 | -40 | 174.3 | -72.5 | -68.2 | 0 | 0 | 0 | 113.3 | T427 M430 L431 V465 A466 F467 T472 | T427-F469 HydrophobicContact CG2-CE1 4.49Å; T427-F469 HydrophobicContact CG2-CZ 3.94Å; M430-F469 HydrophobicContact SD-CZ 4.34Å; L431-F469 HydrophobicContact CD2-CE2 4.22Å; V465-F469 HydrophobicContact CG1-CD2 3.82Å; V465-F469 HydrophobicContact CG1-CE2 3.67Å; V465-F469 VanDerWaalsContact O-CD2 3.26Å; V465-F469 WeakPolarHBondContact O-CD2 3.3Å; V465-F469 PolarHBondContact O-N 3.48Å; V465-F469 VanDerWaalsContact O-N 3.14Å; A466-F469 PolarHBondContact O-N 3.06Å; F467-F469 VanDerWaalsContact C-N 3.29Å; F467-F469 PolarHBondContact O-N 3.08Å; F469-T472 PolarHBondContact O-OG1 3.29Å |
| 470 | A | 76.4 | Confident | 78.8 | Confident | 61 Ų | 61 | 63.5 Ų | 63.5 | 50% | 0.504 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.3 | -36.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A466 F467 | A466-A470 WeakPolarHBondContact O-CB 3.48Å; A466-A470 PolarHBondContact O-N 3.18Å; F467-A470 PolarHBondContact O-N 3.41Å |
| 471 | M | 71.8 | Confident | 79.3 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 5% | 0.054 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -105.8 | 72.4 | -178.2 | -61.7 | 178.1 | 83.3 | 0 | 0 | 110.3 | S393 F394 F467 F480 I483 M484 | S393-M471 VanDerWaalsContact CB-O 3.28Å; S393-M471 WeakPolarHBondContact CB-O 3.44Å; F394-M471 HydrophobicContact CD2-SD 3.63Å; F394-M471 HydrophobicContact CE2-SD 3.64Å; F467-M471 WeakPolarHBondContact O-CB 3.5Å; F467-M471 PolarHBondContact O-N 3.11Å; M471-F480 HydrophobicContact CE-CB 3.99Å; M471-F480 HydrophobicContact CE-CD1 3.68Å; M471-F480 HydrophobicContact CE-CG 4.34Å; M471-F480 WeakPolarHBondContact CE-O 3.21Å; M471-F480 HydrophobicContact CG-CD1 4.34Å; M471-I483 HydrophobicContact CE-CB 3.82Å; M471-I483 HydrophobicContact CE-CG2 3.57Å; M471-I483 HydrophobicContact SD-CG2 4.04Å; M471-M484 HydrophobicContact CE-CB 4.48Å |
| 472 | T | 70.3 | Confident | 79.6 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | trans | -68.4 | 145.2 | -179.5 | -42.3 | 0 | 0 | 0 | 0 | 112.5 | F469 K474 R475 | F469-T472 PolarHBondContact O-OG1 3.29Å; T472-K474 HydrophobicContact CG2-CG 4.37Å; T472-K474 PolarHBondContact O-N 2.98Å; T472-R475 PolarHBondContact O-N 3.47Å; T472-R475 VanDerWaalsContact O-N 3.09Å | ||
| 473 | D | 67.1 | Low | 79.9 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 20% | 0.203 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -15.8 | 178.7 | -69.5 | -11.6 | 0 | 0 | 0 | 115.3 | S393 R399 R475 Q476 | S393-D473 WeakPolarHBondContact CB-OD1 3.43Å; S393-D473 PolarHBondContact OG-OD1 3.33Å; R399-D473 IonicContact CZ-OD2 2.71Å; R399-D473 IonicContact NH1-OD2 3.95Å; R399-D473 PolarHBondContact NH1-OD2 3.48Å; R399-D473 IonicContact NH2-OD2 2.66Å; R399-D473 PolarHBondContact NH2-OD2 2.87Å; D473-R475 VanDerWaalsContact C-N 3.3Å; D473-R475 PolarHBondContact O-N 3.15Å; D473-Q476 PolarHBondContact O-NE2 3.03Å |
| 474 | K | 64.2 | Low | 80.3 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 46% | 0.457 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -19.5 | 178.6 | -62.8 | -168.9 | 179.2 | -166.1 | 0 | 113.7 | T472 Q476 | T472-K474 HydrophobicContact CG2-CG 4.37Å; T472-K474 PolarHBondContact O-N 2.98Å; K474-Q476 PolarHBondContact O-N 3.05Å |
| 475 | R | 67 | Low | 80.8 | Confident | 138 Ų | 138 | 63.6 Ų | 63.6 | 52% | 0.521 | 34% | 0.341 | S | S | . | . | trans | -95.6 | 87.9 | -176.3 | -60.3 | -170 | -177.4 | 177 | -3.7 | 110.1 | T472 D473 S477 F480 | T472-R475 PolarHBondContact O-N 3.47Å; T472-R475 VanDerWaalsContact O-N 3.09Å; D473-R475 VanDerWaalsContact C-N 3.3Å; D473-R475 PolarHBondContact O-N 3.15Å; R475-S477 PolarHBondContact O-N 3.4Å; R475-F480 HydrophobicContact CB-CD1 4.47Å; R475-F480 HydrophobicContact CB-CD2 3.78Å; R475-F480 HydrophobicContact CB-CE1 4.28Å; R475-F480 HydrophobicContact CB-CE2 3.56Å; R475-F480 HydrophobicContact CB-CG 4.28Å; R475-F480 HydrophobicContact CB-CZ 3.86Å; R475-F480 HydrophobicContact CG-CE2 4.24Å; R475-F480 HydrophobicContact CG-CZ 4.16Å | ||
| 476 | Q | 70.4 | Confident | 81.3 | Confident | 129 Ų | 129 | 65 Ų | 65 | 60% | 0.603 | 36% | 0.356 | S | S | * | . | trans | -86.2 | 17.3 | -178.4 | -64.4 | -63.6 | -21.4 | 0 | 0 | 114.1 | T392 D473 K474 | T392-Q476 PolarHBondContact OG1-OE1 3.36Å; D473-Q476 PolarHBondContact O-NE2 3.03Å; K474-Q476 PolarHBondContact O-N 3.05Å | ||
| 477 | S | 81.4 | Confident | 81.7 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | trans | -71.2 | 139 | 179.6 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | R475 V479 F480 | R475-S477 PolarHBondContact O-N 3.4Å; S477-V479 PolarHBondContact O-N 2.94Å; S477-V479 PolarHBondContact OG-N 3.3Å; S477-F480 PolarHBondContact O-N 3.47Å | ||
| 478 | P | 87.4 | Confident | 82.2 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 66% | 0.656 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -54 | -26 | 175.1 | -26.2 | 34.1 | 0 | 0 | 0 | 113.8 | F480 N481 V482 | P478-F480 PolarHBondContact O-N 2.86Å; P478-N481 WeakPolarHBondContact O-CB 3.36Å; P478-N481 PolarHBondContact O-N 3.3Å; P478-V482 PolarHBondContact O-N 2.76Å |
| 479 | V | 89.1 | Confident | 82.8 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 53% | 0.527 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.4 | -36.9 | 175.9 | 179 | 0 | 0 | 0 | 0 | 111.4 | S477 N481 V482 I483 | S477-V479 PolarHBondContact O-N 2.94Å; S477-V479 PolarHBondContact OG-N 3.3Å; V479-N481 VanDerWaalsContact C-N 3.31Å; V479-N481 PolarHBondContact O-N 3.46Å; V479-V482 PolarHBondContact O-N 2.98Å; V479-I483 HydrophobicContact CG1-CD1 3.95Å; V479-I483 HydrophobicContact CG1-CG1 4.43Å; V479-I483 WeakPolarHBondContact O-CG1 3.49Å; V479-I483 PolarHBondContact O-N 2.87Å |
| 480 | F | 87.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.5 | -29 | 179.1 | -69.6 | -86.2 | 0 | 0 | 0 | 112.6 | T392 M471 R475 S477 P478 M484 | T392-F480 WeakPolarHBondContact O-CB 3.32Å; M471-F480 HydrophobicContact CE-CB 3.99Å; M471-F480 HydrophobicContact CE-CD1 3.68Å; M471-F480 HydrophobicContact CE-CG 4.34Å; M471-F480 WeakPolarHBondContact CE-O 3.21Å; M471-F480 HydrophobicContact CG-CD1 4.34Å; R475-F480 HydrophobicContact CB-CD1 4.47Å; R475-F480 HydrophobicContact CB-CD2 3.78Å; R475-F480 HydrophobicContact CB-CE1 4.28Å; R475-F480 HydrophobicContact CB-CE2 3.56Å; R475-F480 HydrophobicContact CB-CG 4.28Å; R475-F480 HydrophobicContact CB-CZ 3.86Å; R475-F480 HydrophobicContact CG-CE2 4.24Å; R475-F480 HydrophobicContact CG-CZ 4.16Å; S477-F480 PolarHBondContact O-N 3.47Å; P478-F480 PolarHBondContact O-N 2.86Å; F480-M484 VanDerWaalsContact O-CB 3.31Å; F480-M484 WeakPolarHBondContact O-CB 3.23Å; F480-M484 PolarHBondContact O-N 2.75Å |
| 481 | N | 91.4 | Very high | 84.3 | Confident | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 171.3 | -175.7 | -95.8 | 0 | 0 | 0 | 110.9 | W389 S391 P478 V479 I483 M484 W485 | W389-N481 PolarHBondContact O-ND2 3.44Å; S391-N481 PolarHBondContact O-ND2 3.16Å; P478-N481 WeakPolarHBondContact O-CB 3.36Å; P478-N481 PolarHBondContact O-N 3.3Å; V479-N481 VanDerWaalsContact C-N 3.31Å; V479-N481 PolarHBondContact O-N 3.46Å; N481-I483 PolarHBondContact O-N 2.89Å; N481-M484 WeakPolarHBondContact O-CB 3.44Å; N481-M484 PolarHBondContact O-N 3.34Å; N481-W485 VanDerWaalsContact O-CD1 3.23Å; N481-W485 PolarHBondContact O-N 3.48Å; N481-W485 VanDerWaalsContact OD1-CD1 3.24Å; N481-W485 PolarHBondContact OD1-NE1 2.97Å |
| 482 | V | 92.1 | Very high | 85.3 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | P478 V479 M484 W485 A486 | P478-V482 PolarHBondContact O-N 2.76Å; V479-V482 PolarHBondContact O-N 2.98Å; V482-M484 VanDerWaalsContact C-N 3.33Å; V482-M484 PolarHBondContact O-N 3.5Å; V482-W485 PolarHBondContact O-N 2.95Å; V482-A486 WeakPolarHBondContact O-CB 3.43Å; V482-A486 PolarHBondContact O-N 3.05Å |
| 483 | I | 91 | Very high | 86.4 | Confident | 71 Ų | 71 | 59.8 Ų | 59.8 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 176.3 | -67.7 | 167.7 | 0 | 0 | 0 | 110.5 | M471 V479 N481 W485 A486 C487 | M471-I483 HydrophobicContact CE-CB 3.82Å; M471-I483 HydrophobicContact CE-CG2 3.57Å; M471-I483 HydrophobicContact SD-CG2 4.04Å; V479-I483 HydrophobicContact CG1-CD1 3.95Å; V479-I483 HydrophobicContact CG1-CG1 4.43Å; V479-I483 WeakPolarHBondContact O-CG1 3.49Å; V479-I483 PolarHBondContact O-N 2.87Å; N481-I483 PolarHBondContact O-N 2.89Å; I483-W485 PolarHBondContact O-N 3.06Å; I483-A486 PolarHBondContact O-N 3.31Å; I483-C487 WeakPolarHBondContact O-CB 3.14Å; I483-C487 PolarHBondContact O-N 2.81Å; I483-C487 PolarHBondContact O-SG 3.36Å; I483-C487 VanDerWaalsContact O-SG 3.35Å |
| 484 | M | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59 | -48.3 | 177.9 | -176.3 | -78.6 | -67 | 0 | 0 | 111.1 | F394 Y397 M471 F480 N481 V482 A486 C487 L488 | F394-M484 HydrophobicContact CE1-CG 4.5Å; F394-M484 HydrophobicContact CE2-CG 4.26Å; F394-M484 HydrophobicContact CZ-CG 4.22Å; Y397-M484 HydrophobicContact CD2-SD 4.36Å; M471-M484 HydrophobicContact CE-CB 4.48Å; F480-M484 VanDerWaalsContact O-CB 3.31Å; F480-M484 WeakPolarHBondContact O-CB 3.23Å; F480-M484 PolarHBondContact O-N 2.75Å; N481-M484 WeakPolarHBondContact O-CB 3.44Å; N481-M484 PolarHBondContact O-N 3.34Å; V482-M484 VanDerWaalsContact C-N 3.33Å; V482-M484 PolarHBondContact O-N 3.5Å; M484-A486 PolarHBondContact O-N 2.91Å; M484-C487 PolarHBondContact O-N 2.87Å; M484-L488 WeakPolarHBondContact O-CB 3.34Å; M484-L488 PolarHBondContact O-N 3Å |
| 485 | W | 93.3 | Very high | 88.9 | Confident | 50 Ų | 50 | 56 Ų | 56 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 176.1 | -81.9 | 112.4 | 0 | 0 | 0 | 112.9 | I355 W388 W389 N481 V482 I483 C487 L488 F489 | I355-W485 HydrophobicContact CD1-CZ3 4.17Å; W388-W485 AromaticContact CH2-CH2 3.51Å; W388-W485 HydrophobicContact CH2-CH2 3.51Å; W388-W485 HydrophobicContact CH2-CZ2 4.29Å; W388-W485 HydrophobicContact CH2-CZ3 4.19Å; W388-W485 AromaticContact CZ3-CH2 3.39Å; W388-W485 HydrophobicContact CZ3-CH2 3.39Å; W388-W485 AromaticContact CZ3-CZ2 3.88Å; W388-W485 HydrophobicContact CZ3-CZ2 3.88Å; W388-W485 AromaticContact CZ3-CZ3 3.99Å; W388-W485 HydrophobicContact CZ3-CZ3 3.99Å; W389-W485 HydrophobicContact CB-CH2 4.41Å; W389-W485 HydrophobicContact CB-CZ2 3.64Å; W389-W485 PolarHBondContact O-NE1 3.28Å; N481-W485 VanDerWaalsContact O-CD1 3.23Å; N481-W485 PolarHBondContact O-N 3.48Å; N481-W485 VanDerWaalsContact OD1-CD1 3.24Å; N481-W485 PolarHBondContact OD1-NE1 2.97Å; V482-W485 PolarHBondContact O-N 2.95Å; I483-W485 PolarHBondContact O-N 3.06Å; W485-C487 PolarHBondContact O-N 3.42Å; W485-L488 HydrophobicContact CE3-CD2 3.9Å; W485-L488 HydrophobicContact CZ3-CD2 3.83Å; W485-L488 PolarHBondContact O-N 3.33Å; W485-F489 HydrophobicContact CD2-CE1 4.43Å; W485-F489 HydrophobicContact CE3-CD1 4.17Å; W485-F489 AromaticContact CE3-CE1 3.39Å; W485-F489 HydrophobicContact CE3-CE1 3.39Å; W485-F489 AromaticContact CE3-CZ 3.91Å; W485-F489 HydrophobicContact CE3-CZ 3.91Å; W485-F489 AromaticContact CZ3-CE1 3.82Å; W485-F489 HydrophobicContact CZ3-CE1 3.82Å; W485-F489 HydrophobicContact CZ3-CZ 4.48Å; W485-F489 WeakPolarHBondContact O-CB 3.41Å; W485-F489 WeakPolarHBondContact O-CD1 3.19Å; W485-F489 VanDerWaalsContact O-CG 3.23Å; W485-F489 WeakPolarHBondContact O-CG 3.14Å; W485-F489 PolarHBondContact O-N 3.4Å |
| 486 | A | 92.9 | Very high | 90 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V482 I483 M484 F489 L490 | V482-A486 WeakPolarHBondContact O-CB 3.43Å; V482-A486 PolarHBondContact O-N 3.05Å; I483-A486 PolarHBondContact O-N 3.31Å; M484-A486 PolarHBondContact O-N 2.91Å; A486-F489 PolarHBondContact O-N 3.33Å; A486-L490 WeakPolarHBondContact O-CB 3.38Å; A486-L490 PolarHBondContact O-N 3.49Å |
| 487 | C | 91.7 | Very high | 91 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 174.7 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | F394 F467 I483 M484 W485 G491 | F394-C487 HydrophobicContact CE2-CB 4.27Å; F394-C487 HydrophobicContact CZ-CB 3.73Å; F467-C487 HydrophobicContact CE2-CB 4.23Å; I483-C487 WeakPolarHBondContact O-CB 3.14Å; I483-C487 PolarHBondContact O-N 2.81Å; I483-C487 PolarHBondContact O-SG 3.36Å; I483-C487 VanDerWaalsContact O-SG 3.35Å; M484-C487 PolarHBondContact O-N 2.87Å; W485-C487 PolarHBondContact O-N 3.42Å; C487-G491 PolarHBondContact O-N 3Å |
| 488 | L | 91.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -45 | 177.1 | -171.1 | 66.3 | 0 | 0 | 0 | 111.2 | L358 W388 Y397 M484 W485 G491 Q492 | L358-L488 HydrophobicContact CD2-CD1 3.92Å; L358-L488 HydrophobicContact CD2-CD2 3.83Å; L358-L488 HydrophobicContact CD2-CG 3.9Å; W388-L488 HydrophobicContact CZ3-CD2 4.27Å; Y397-L488 HydrophobicContact CE2-CD2 4.44Å; M484-L488 WeakPolarHBondContact O-CB 3.34Å; M484-L488 PolarHBondContact O-N 3Å; W485-L488 HydrophobicContact CE3-CD2 3.9Å; W485-L488 HydrophobicContact CZ3-CD2 3.83Å; W485-L488 PolarHBondContact O-N 3.33Å; L488-G491 PolarHBondContact O-N 3.47Å; L488-Q492 WeakPolarHBondContact O-CB 3.38Å; L488-Q492 VanDerWaalsContact O-CG 3.3Å; L488-Q492 WeakPolarHBondContact O-CG 3.43Å; L488-Q492 PolarHBondContact O-N 3.14Å |
| 489 | F | 94.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 38.6 Ų | 38.6 | 33% | 0.333 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 176.5 | -71 | -2.5 | 0 | 0 | 0 | 111.6 | I351 I355 W485 A486 Q492 G493 | I351-F489 HydrophobicContact CG2-CB 3.84Å; I351-F489 HydrophobicContact CG2-CG 4.49Å; I355-F489 HydrophobicContact CB-CD1 4.08Å; I355-F489 HydrophobicContact CB-CE1 4.23Å; I355-F489 HydrophobicContact CD1-CD1 3.71Å; I355-F489 HydrophobicContact CD1-CE1 3.57Å; I355-F489 HydrophobicContact CG1-CD1 3.73Å; I355-F489 HydrophobicContact CG1-CE1 3.45Å; I355-F489 VanDerWaalsContact CG1-CE1 3.45Å; I355-F489 HydrophobicContact CG1-CZ 4.4Å; W485-F489 HydrophobicContact CD2-CE1 4.43Å; W485-F489 HydrophobicContact CE3-CD1 4.17Å; W485-F489 AromaticContact CE3-CE1 3.39Å; W485-F489 HydrophobicContact CE3-CE1 3.39Å; W485-F489 AromaticContact CE3-CZ 3.91Å; W485-F489 HydrophobicContact CE3-CZ 3.91Å; W485-F489 AromaticContact CZ3-CE1 3.82Å; W485-F489 HydrophobicContact CZ3-CE1 3.82Å; W485-F489 HydrophobicContact CZ3-CZ 4.48Å; W485-F489 WeakPolarHBondContact O-CB 3.41Å; W485-F489 WeakPolarHBondContact O-CD1 3.19Å; W485-F489 VanDerWaalsContact O-CG 3.23Å; W485-F489 WeakPolarHBondContact O-CG 3.14Å; W485-F489 PolarHBondContact O-N 3.4Å; A486-F489 PolarHBondContact O-N 3.33Å; F489-Q492 PolarHBondContact O-N 3.05Å; F489-G493 PolarHBondContact O-N 3.47Å |
| 490 | L | 93.1 | Very high | 91.4 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 47% | 0.466 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 178 | -176 | 60.7 | 0 | 0 | 0 | 111.4 | V347 A486 Q492 G493 V494 | V347-L490 HydrophobicContact CG1-CD1 4.37Å; A486-L490 WeakPolarHBondContact O-CB 3.38Å; A486-L490 PolarHBondContact O-N 3.49Å; L490-Q492 PolarHBondContact O-N 2.77Å; L490-G493 PolarHBondContact O-N 3.35Å; L490-V494 HydrophobicContact CD1-CG2 4.43Å; L490-V494 WeakPolarHBondContact O-CG2 3.4Å; L490-V494 PolarHBondContact O-N 3.1Å |
| 491 | G | 92.4 | Very high | 91.3 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 17% | 0.165 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C487 L488 V494 Q495 | C487-G491 PolarHBondContact O-N 3Å; L488-G491 PolarHBondContact O-N 3.47Å; G491-V494 PolarHBondContact O-N 3.42Å; G491-Q495 VanDerWaalsContact O-CG 3.28Å; G491-Q495 WeakPolarHBondContact O-CG 3.28Å; G491-Q495 PolarHBondContact O-N 3.42Å |
| 492 | Q | 92.9 | Very high | 91 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 15% | 0.145 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | 176.4 | -69.4 | -58.2 | -36.5 | 0 | 0 | 112.4 | L358 L488 F489 L490 Q495 V496 | L358-Q492 HydrophobicContact CB-CG 4.19Å; L358-Q492 HydrophobicContact CD2-CG 3.82Å; L358-Q492 HydrophobicContact CG-CG 4.49Å; L488-Q492 WeakPolarHBondContact O-CB 3.38Å; L488-Q492 VanDerWaalsContact O-CG 3.3Å; L488-Q492 WeakPolarHBondContact O-CG 3.43Å; L488-Q492 PolarHBondContact O-N 3.14Å; F489-Q492 PolarHBondContact O-N 3.05Å; L490-Q492 PolarHBondContact O-N 2.77Å; Q492-Q495 PolarHBondContact O-N 3.49Å; Q492-V496 PolarHBondContact O-N 3.46Å |
| 493 | G | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F489 L490 C497 | F489-G493 PolarHBondContact O-N 3.47Å; L490-G493 PolarHBondContact O-N 3.35Å; G493-C497 WeakPolarHBondContact O-CB 3.34Å; G493-C497 PolarHBondContact O-N 2.92Å |
| 494 | V | 92.4 | Very high | 90.3 | Very high | 34 Ų | 34 | 29.8 Ų | 29.8 | 21% | 0.206 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | V347 V455 L459 L490 G491 L498 | V347-V494 HydrophobicContact CG1-CG2 3.86Å; V455-V494 HydrophobicContact CG1-CG1 4.3Å; L459-V494 HydrophobicContact CD1-CG1 4.49Å; L490-V494 HydrophobicContact CD1-CG2 4.43Å; L490-V494 WeakPolarHBondContact O-CG2 3.4Å; L490-V494 PolarHBondContact O-N 3.1Å; G491-V494 PolarHBondContact O-N 3.42Å; V494-L498 HydrophobicContact CG1-CD1 3.61Å; V494-L498 HydrophobicContact CG1-CG 4.22Å; V494-L498 VanDerWaalsContact O-CB 3.23Å; V494-L498 WeakPolarHBondContact O-CB 3.47Å; V494-L498 VanDerWaalsContact O-CG 3.31Å; V494-L498 WeakPolarHBondContact O-CG 3.43Å; V494-L498 PolarHBondContact O-N 3Å |
| 495 | Q | 91.8 | Very high | 89.8 | Confident | 29 Ų | 29 | 30 Ų | 30 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -56.6 | 178.5 | -74.5 | 172.9 | 9.3 | 0 | 0 | 111.6 | M456 L459 G491 Q492 C497 L498 Y499 | M456-Q495 PolarHBondContact SD-NE2 3.46Å; L459-Q495 HydrophobicContact CD1-CG 3.4Å; L459-Q495 VanDerWaalsContact CD1-CG 3.4Å; G491-Q495 VanDerWaalsContact O-CG 3.28Å; G491-Q495 WeakPolarHBondContact O-CG 3.28Å; G491-Q495 PolarHBondContact O-N 3.42Å; Q492-Q495 PolarHBondContact O-N 3.49Å; Q495-C497 VanDerWaalsContact C-N 3.3Å; Q495-C497 PolarHBondContact O-N 3.07Å; Q495-L498 PolarHBondContact O-N 2.9Å; Q495-Y499 HydrophobicContact CB-CD2 4.42Å; Q495-Y499 WeakPolarHBondContact O-CB 3.36Å; Q495-Y499 WeakPolarHBondContact O-CD2 3.36Å; Q495-Y499 PolarHBondContact O-N 3.49Å |
| 496 | V | 90.9 | Very high | 89.2 | Confident | 20 Ų | 20 | 30.1 Ų | 30.1 | 12% | 0.121 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | -178.6 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | L357 Q492 C500 | L357-V496 HydrophobicContact CD1-CG2 4.45Å; Q492-V496 PolarHBondContact O-N 3.46Å; V496-C500 WeakPolarHBondContact O-CB 3.33Å; V496-C500 PolarHBondContact O-N 2.59Å; V496-C500 PolarHBondContact O-SG 2.94Å |
| 497 | C | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -52 | -179.4 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | F329 V347 G493 Q495 Q501 | F329-C497 HydrophobicContact CE1-CB 4.49Å; F329-C497 HydrophobicContact CZ-CB 4.18Å; V347-C497 HydrophobicContact CG2-CB 4.02Å; G493-C497 WeakPolarHBondContact O-CB 3.34Å; G493-C497 PolarHBondContact O-N 2.92Å; Q495-C497 VanDerWaalsContact C-N 3.3Å; Q495-C497 PolarHBondContact O-N 3.07Å; C497-Q501 VanDerWaalsContact O-CB 3.23Å; C497-Q501 WeakPolarHBondContact O-CB 3.37Å; C497-Q501 PolarHBondContact O-N 3.49Å |
| 498 | L | 89.6 | Confident | 87.9 | Confident | 23 Ų | 23 | 34.8 Ų | 34.8 | 12% | 0.12 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70 | -41.8 | -174.1 | -73.8 | -174.3 | 0 | 0 | 0 | 112.2 | Y453 V455 V494 Q495 E502 | Y453-L498 HydrophobicContact CE1-CB 3.75Å; Y453-L498 HydrophobicContact CE1-CG 4.48Å; V455-L498 HydrophobicContact CB-CD1 4.45Å; V455-L498 HydrophobicContact CG1-CB 4.5Å; V455-L498 HydrophobicContact CG1-CD1 3.81Å; V455-L498 HydrophobicContact CG2-CB 4.14Å; V455-L498 HydrophobicContact CG2-CD1 3.71Å; V494-L498 HydrophobicContact CG1-CD1 3.61Å; V494-L498 HydrophobicContact CG1-CG 4.22Å; V494-L498 VanDerWaalsContact O-CB 3.23Å; V494-L498 WeakPolarHBondContact O-CB 3.47Å; V494-L498 VanDerWaalsContact O-CG 3.31Å; V494-L498 WeakPolarHBondContact O-CG 3.43Å; V494-L498 PolarHBondContact O-N 3Å; Q495-L498 PolarHBondContact O-N 2.9Å; L498-E502 WeakPolarHBondContact O-CB 3.23Å; L498-E502 PolarHBondContact O-N 2.69Å |
| 499 | Y | 90.2 | Very high | 87.2 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.1 | -39.9 | 176.7 | -76.6 | -68.1 | 0 | 0 | 0 | 112.5 | E442 L445 F449 F451 Y453 V455 M456 Q495 W503 | E442-Y499 PolarHBondContact OE2-OH 3.11Å; L445-Y499 HydrophobicContact CB-CE1 4.47Å; L445-Y499 HydrophobicContact CD1-CE2 3.8Å; F449-Y499 AromaticContact CD2-CD1 3.92Å; F449-Y499 HydrophobicContact CD2-CD1 3.92Å; F449-Y499 HydrophobicContact CD2-CE1 4.41Å; F449-Y499 HydrophobicContact CD2-CG 4.46Å; F449-Y499 AromaticContact CE2-CD1 3.95Å; F449-Y499 HydrophobicContact CE2-CD1 3.95Å; F449-Y499 HydrophobicContact CE2-CG 4.05Å; F451-Y499 AromaticContact CE2-CD1 3.88Å; F451-Y499 HydrophobicContact CE2-CD1 3.88Å; F451-Y499 HydrophobicContact CE2-CE1 4.35Å; F451-Y499 HydrophobicContact CZ-CD1 4.22Å; Y453-Y499 PolarHBondContact O-OH 2.97Å; V455-Y499 HydrophobicContact CB-CE2 4.22Å; M456-Y499 HydrophobicContact CB-CE2 4.46Å; M456-Y499 WeakPolarHBondContact CB-OH 3.21Å; M456-Y499 PolarHBondContact N-OH 3.41Å; Q495-Y499 HydrophobicContact CB-CD2 4.42Å; Q495-Y499 WeakPolarHBondContact O-CB 3.36Å; Q495-Y499 WeakPolarHBondContact O-CD2 3.36Å; Q495-Y499 PolarHBondContact O-N 3.49Å; Y499-W503 VanDerWaalsContact O-CB 3.26Å; Y499-W503 WeakPolarHBondContact O-CB 3.08Å; Y499-W503 PolarHBondContact O-N 2.98Å |
| 500 | C | 87.4 | Confident | 86.2 | Confident | 29 Ų | 29 | 36.2 Ų | 36.2 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 175.6 | -73.4 | 0 | 0 | 0 | 0 | 111.6 | F329 V496 E502 W503 Y504 | F329-C500 HydrophobicContact CD1-CB 4.29Å; F329-C500 HydrophobicContact CD2-CB 3.54Å; F329-C500 HydrophobicContact CE1-CB 4.32Å; F329-C500 HydrophobicContact CE2-CB 3.6Å; F329-C500 HydrophobicContact CG-CB 3.95Å; F329-C500 HydrophobicContact CZ-CB 4.03Å; V496-C500 WeakPolarHBondContact O-CB 3.33Å; V496-C500 PolarHBondContact O-N 2.59Å; V496-C500 PolarHBondContact O-SG 2.94Å; C500-E502 PolarHBondContact O-N 2.03Å; C500-W503 WeakPolarHBondContact O-CB 3.43Å; C500-W503 PolarHBondContact O-N 2.82Å; C500-Y504 WeakPolarHBondContact O-CD2 3.14Å; C500-Y504 PolarHBondContact O-N 3.07Å |
| 501 | Q | 85.1 | Confident | 85 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 178.3 | -174.7 | -179.3 | -12.8 | 0 | 0 | 111.8 | F329 F338 C497 Y504 A505 | F329-Q501 HydrophobicContact CD1-CB 4.42Å; F329-Q501 HydrophobicContact CE1-CB 4.49Å; F338-Q501 HydrophobicContact CE2-CG 4.32Å; F338-Q501 HydrophobicContact CZ-CG 4.44Å; C497-Q501 VanDerWaalsContact O-CB 3.23Å; C497-Q501 WeakPolarHBondContact O-CB 3.37Å; C497-Q501 PolarHBondContact O-N 3.49Å; Q501-Y504 PolarHBondContact O-N 3.22Å; Q501-A505 WeakPolarHBondContact O-CB 3.26Å; Q501-A505 PolarHBondContact O-N 3.45Å |
| 502 | E | 86.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.1 | -176.3 | 59.9 | -158.4 | 0 | 0 | 111.2 | F451 Y453 L498 C500 Y504 A505 Q506 R523 S524 | F451-E502 HydrophobicContact CD1-CG 4.5Å; F451-E502 HydrophobicContact CD2-CG 3.7Å; F451-E502 HydrophobicContact CE1-CG 4.24Å; F451-E502 HydrophobicContact CE2-CB 3.9Å; F451-E502 HydrophobicContact CE2-CG 3.45Å; F451-E502 VanDerWaalsContact CE2-CG 3.45Å; F451-E502 HydrophobicContact CG-CG 4.25Å; F451-E502 HydrophobicContact CZ-CB 3.91Å; F451-E502 HydrophobicContact CZ-CG 3.75Å; Y453-E502 HydrophobicContact CD1-CB 4.15Å; Y453-E502 HydrophobicContact CD1-CG 4.41Å; L498-E502 WeakPolarHBondContact O-CB 3.23Å; L498-E502 PolarHBondContact O-N 2.69Å; C500-E502 PolarHBondContact O-N 2.03Å; E502-Y504 PolarHBondContact O-N 3.14Å; E502-A505 PolarHBondContact O-N 2.73Å; E502-A505 VanDerWaalsContact O-N 3.16Å; E502-Q506 WeakPolarHBondContact O-CG 3.26Å; E502-Q506 PolarHBondContact O-N 3.48Å; E502-Q506 PolarHBondContact OE1-NE2 3.16Å; E502-R523 VanDerWaalsContact CD-N 3.33Å; E502-R523 PolarHBondContact OE1-N 3.12Å; E502-R523 PolarHBondContact OE2-N 2.99Å; E502-S524 VanDerWaalsContact OE2-CB 3.23Å; E502-S524 WeakPolarHBondContact OE2-CB 3.41Å; E502-S524 PolarHBondContact OE2-N 3.3Å; E502-S524 PolarHBondContact OE2-OG 3.35Å |
| 503 | W | 86.1 | Confident | 82 | Confident | 57 Ų | 57 | 40.5 Ų | 40.5 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -47.7 | 176.1 | 177.6 | -87.4 | 0 | 0 | 0 | 112.3 | P230 F449 F451 Y499 C500 Q506 I507 | P230-W503 HydrophobicContact CB-CH2 4.35Å; P230-W503 HydrophobicContact CB-CZ3 4.4Å; P230-W503 HydrophobicContact CG-CH2 3.11Å; P230-W503 HydrophobicContact CG-CZ2 3.79Å; P230-W503 HydrophobicContact CG-CZ3 3.54Å; F449-W503 HydrophobicContact CB-CE3 4.22Å; F449-W503 HydrophobicContact CB-CZ3 4.4Å; F449-W503 AromaticContact CD1-CE3 3.95Å; F449-W503 HydrophobicContact CD1-CE3 3.95Å; F449-W503 HydrophobicContact CD1-CZ3 4.35Å; F449-W503 VanDerWaalsContact O-CZ3 3.27Å; F449-W503 WeakPolarHBondContact O-CZ3 3.25Å; F451-W503 HydrophobicContact CE1-CB 4.1Å; F451-W503 AromaticContact CE1-CE3 3.87Å; F451-W503 HydrophobicContact CE1-CE3 3.87Å; F451-W503 HydrophobicContact CZ-CB 4.37Å; Y499-W503 VanDerWaalsContact O-CB 3.26Å; Y499-W503 WeakPolarHBondContact O-CB 3.08Å; Y499-W503 PolarHBondContact O-N 2.98Å; C500-W503 WeakPolarHBondContact O-CB 3.43Å; C500-W503 PolarHBondContact O-N 2.82Å; W503-Q506 PolarHBondContact O-N 2.91Å; W503-I507 HydrophobicContact CZ2-CD1 4.39Å; W503-I507 VanDerWaalsContact NE1-CD1 3.3Å; W503-I507 WeakPolarHBondContact O-CG1 3.45Å; W503-I507 PolarHBondContact O-N 3.09Å |
| 504 | Y | 81.6 | Confident | 80.7 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 18% | 0.18 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 176.4 | -80.3 | -72.8 | 0 | 0 | 0 | 112.5 | I326 F329 C500 Q501 E502 Q506 I507 H508 | I326-Y504 WeakPolarHBondContact CG1-OH 3.26Å; F329-Y504 HydrophobicContact CB-CD2 3.47Å; F329-Y504 VanDerWaalsContact CB-CD2 3.47Å; F329-Y504 HydrophobicContact CB-CE2 3.52Å; F329-Y504 HydrophobicContact CB-CG 4.4Å; F329-Y504 HydrophobicContact CG-CD2 4.32Å; F329-Y504 HydrophobicContact CG-CE2 4.4Å; C500-Y504 WeakPolarHBondContact O-CD2 3.14Å; C500-Y504 PolarHBondContact O-N 3.07Å; Q501-Y504 PolarHBondContact O-N 3.22Å; E502-Y504 PolarHBondContact O-N 3.14Å; Y504-Q506 VanDerWaalsContact C-N 3.25Å; Y504-Q506 PolarHBondContact O-N 2.98Å; Y504-I507 PolarHBondContact O-N 2.87Å; Y504-H508 PolarHBondContact O-N 2.78Å; Y504-H508 VanDerWaalsContact O-N 3.16Å; Y504-H508 PolarHBondContact O-ND1 3.06Å |
| 505 | A | 80.4 | Confident | 79.7 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q501 E502 H508 C509 R523 | Q501-A505 WeakPolarHBondContact O-CB 3.26Å; Q501-A505 PolarHBondContact O-N 3.45Å; E502-A505 PolarHBondContact O-N 2.73Å; E502-A505 VanDerWaalsContact O-N 3.16Å; A505-H508 PolarHBondContact O-N 2.82Å; A505-C509 WeakPolarHBondContact O-CB 3.48Å; A505-C509 PolarHBondContact O-N 3.35Å; A505-R523 HydrophobicContact CB-CB 4.32Å |
| 506 | Q | 80.8 | Confident | 78.4 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.8 | -32.2 | 177.7 | -68.6 | -166.3 | 9.6 | 0 | 0 | 114.1 | F451 E502 W503 Y504 C509 R523 | F451-Q506 VanDerWaalsContact CD1-CD 3.49Å; F451-Q506 VanDerWaalsContact CD1-OE1 3.23Å; E502-Q506 WeakPolarHBondContact O-CG 3.26Å; E502-Q506 PolarHBondContact O-N 3.48Å; E502-Q506 PolarHBondContact OE1-NE2 3.16Å; W503-Q506 PolarHBondContact O-N 2.91Å; Y504-Q506 VanDerWaalsContact C-N 3.25Å; Y504-Q506 PolarHBondContact O-N 2.98Å; Q506-C509 CarbonylContact O-C 3.51Å; Q506-R523 HydrophobicContact CG-CG 4.48Å |
| 507 | I | 80.8 | Confident | 77.2 | Confident | 98 Ų | 98 | 63.1 Ų | 63.1 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 174.6 | -68.3 | 169.6 | 0 | 0 | 0 | 110.6 | W503 Y504 | W503-I507 HydrophobicContact CZ2-CD1 4.39Å; W503-I507 VanDerWaalsContact NE1-CD1 3.3Å; W503-I507 WeakPolarHBondContact O-CG1 3.45Å; W503-I507 PolarHBondContact O-N 3.09Å; Y504-I507 PolarHBondContact O-N 2.87Å |
| 508 | H | 76.4 | Confident | 76 | Confident | 88 Ų | 88 | 66 Ų | 66 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80.7 | -31.1 | -177 | -64.8 | 90.7 | 0 | 0 | 0 | 113.1 | Y504 A505 P510 Y529 | Y504-H508 PolarHBondContact O-N 2.78Å; Y504-H508 VanDerWaalsContact O-N 3.16Å; Y504-H508 PolarHBondContact O-ND1 3.06Å; A505-H508 PolarHBondContact O-N 2.82Å; H508-P510 WeakPolarHBondContact O-CD 3.29Å; H508-Y529 HydrophobicContact CB-CD1 4.24Å; H508-Y529 HydrophobicContact CB-CE1 3.99Å; H508-Y529 AromaticContact CG-CE1 3.9Å |
| 509 | C | 76.9 | Confident | 74.9 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -119.4 | 82 | 177.8 | -75.8 | 0 | 0 | 0 | 0 | 110.2 | A505 Q506 R523 C527 | A505-C509 WeakPolarHBondContact O-CB 3.48Å; A505-C509 PolarHBondContact O-N 3.35Å; Q506-C509 CarbonylContact O-C 3.51Å; C509-R523 PolarHBondContact O-NH1 3.23Å; C509-C527 HydrophobicContact CB-CB 3.82Å; C509-C527 WeakPolarHBondContact CB-SG 3.41Å; C509-C527 WeakPolarHBondContact SG-CB 3.32Å; C509-C527 CovalentContact SG-SG 2.03Å; C509-C527 PolarHBondContact SG-SG 3.43Å |
| 510 | P | 73.4 | Confident | 73.9 | Confident | 91 Ų | 91 | 73 Ų | 73 | 59% | 0.591 | 40% | 0.4 | S | S | * | . | trans | -66.5 | 158.3 | 178.2 | 27.2 | -33.9 | 0 | 0 | 0 | 112.4 | H508 R523 | H508-P510 WeakPolarHBondContact O-CD 3.29Å; P510-R523 PolarHBondContact O-NH1 3.17Å | ||
| 511 | P | 66.4 | Low | 73 | Confident | 91 Ų | 91 | 76.1 Ų | 76.1 | 59% | 0.591 | 41% | 0.413 | S | S | * | . | trans | -59.3 | 139.3 | 178.7 | -18.1 | 29.2 | 0 | 0 | 0 | 112.7 | R523 | P511-R523 VanDerWaalsContact CA-NH2 3.3Š| ||
| 512 | A | 60.2 | Low | 72.4 | Confident | 104 Ų | 104 | 77 Ų | 77 | 86% | 0.86 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -92.5 | -16 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | E518 | A512-E518 PolarHBondContact N-OE2 3.14Å; A512-E518 VanDerWaalsContact N-OE2 3.11Å |
| 513 | G | 63.6 | Low | 71.7 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 32% | 0.32 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -158.1 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S515 E518 | G513-S515 PolarHBondContact O-N 3.01Å; G513-E518 PolarHBondContact N-OE1 2.96Å; G513-E518 PolarHBondContact N-OE2 3.35Å; G513-E518 VanDerWaalsContact N-OE2 3.07Å |
| 514 | D | 63.4 | Low | 70.9 | Confident | 182 Ų | 182 | 76.5 Ų | 76.5 | 97% | 0.973 | 42% | 0.421 | S | S | * | . | trans | -86.1 | 20 | -177.5 | -68.2 | -27 | 0 | 0 | 0 | 113.6 | L516 | D514-L516 PolarHBondContact O-N 3.49Š| ||
| 515 | S | 71.1 | Confident | 70.3 | Confident | 56 Ų | 56 | 82 Ų | 82 | 39% | 0.392 | 44% | 0.441 | S | S | . | . | trans | -71.5 | 132.6 | -175.5 | 72.9 | 0 | 0 | 0 | 0 | 111.1 | G513 W517 E518 | G513-S515 PolarHBondContact O-N 3.01Å; S515-W517 PolarHBondContact O-N 3.04Å; S515-E518 WeakPolarHBondContact O-CB 3.46Å; S515-E518 PolarHBondContact O-N 3.49Å; S515-E518 WeakPolarHBondContact OG-CB 3.47Å; S515-E518 VanDerWaalsContact OG-CG 3.25Å; S515-E518 WeakPolarHBondContact OG-CG 3.42Å; S515-E518 PolarHBondContact OG-N 3.4Å; S515-E518 PolarHBondContact OG-OE1 3.12Å | ||
| 516 | L | 65.3 | Low | 69.5 | Low | 140 Ų | 140 | 86.1 Ų | 86.1 | 73% | 0.733 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -55.5 | -27.4 | 175.7 | -73.8 | 172.9 | 0 | 0 | 0 | 112.4 | D514 L519 L520 | D514-L516 PolarHBondContact O-N 3.49Å; L516-L519 PolarHBondContact O-N 2.92Å; L516-L520 WeakPolarHBondContact O-CG 3.38Å; L516-L520 PolarHBondContact O-N 3.01Å |
| 517 | W | 64.8 | Low | 68.8 | Low | 179 Ų | 179 | 84.7 Ų | 84.7 | 68% | 0.678 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.9 | -33.5 | 177.4 | -155.1 | -117.1 | 0 | 0 | 0 | 112.7 | S515 L519 L520 M521 | S515-W517 PolarHBondContact O-N 3.04Å; W517-L519 VanDerWaalsContact C-N 3.26Å; W517-L519 PolarHBondContact O-N 3.47Å; W517-L520 PolarHBondContact O-N 3.12Å; W517-M521 HydrophobicContact CD2-CG 4.35Å; W517-M521 HydrophobicContact CG-CG 4.32Å; W517-M521 HydrophobicContact CZ2-SD 4.2Å; W517-M521 WeakPolarHBondContact O-CB 3.39Å; W517-M521 VanDerWaalsContact O-CG 3.28Å; W517-M521 WeakPolarHBondContact O-CG 3.43Å; W517-M521 PolarHBondContact O-N 3.45Å |
| 518 | E | 66.4 | Low | 67.7 | Low | 62 Ų | 62 | 84 Ų | 84 | 29% | 0.29 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.6 | -20.4 | 174.7 | -84 | 175.9 | -116.1 | 0 | 0 | 113.8 | A512 G513 S515 R523 | A512-E518 PolarHBondContact N-OE2 3.14Å; A512-E518 VanDerWaalsContact N-OE2 3.11Å; G513-E518 PolarHBondContact N-OE1 2.96Å; G513-E518 PolarHBondContact N-OE2 3.35Å; G513-E518 VanDerWaalsContact N-OE2 3.07Å; S515-E518 WeakPolarHBondContact O-CB 3.46Å; S515-E518 PolarHBondContact O-N 3.49Å; S515-E518 WeakPolarHBondContact OG-CB 3.47Å; S515-E518 VanDerWaalsContact OG-CG 3.25Å; S515-E518 WeakPolarHBondContact OG-CG 3.42Å; S515-E518 PolarHBondContact OG-N 3.4Å; S515-E518 PolarHBondContact OG-OE1 3.12Å; E518-R523 PolarHBondContact O-NH2 3.49Å; E518-R523 IonicContact OE2-NH2 2.66Å |
| 519 | L | 65.8 | Low | 66.8 | Low | 99 Ų | 99 | 82.9 Ų | 82.9 | 52% | 0.518 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -85.5 | -30 | 175.2 | -172.8 | 67.5 | 0 | 0 | 0 | 112.5 | L516 W517 | L516-L519 PolarHBondContact O-N 2.92Å; W517-L519 VanDerWaalsContact C-N 3.26Å; W517-L519 PolarHBondContact O-N 3.47Å |
| 520 | L | 69.2 | Low | 65.1 | Low | 80 Ų | 80 | 90 Ų | 90 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -90.2 | -22.5 | -177.2 | -69.6 | 170.8 | 0 | 0 | 0 | 113.4 | F452 L516 W517 | F452-L520 HydrophobicContact CB-CD2 4.23Å; F452-L520 HydrophobicContact CD1-CD2 3.55Å; F452-L520 HydrophobicContact CE1-CD2 4.11Å; F452-L520 HydrophobicContact CG-CD2 4.01Å; L516-L520 WeakPolarHBondContact O-CG 3.38Å; L516-L520 PolarHBondContact O-N 3.01Å; W517-L520 PolarHBondContact O-N 3.12Å |
| 521 | M | 69.7 | Low | 63.4 | Low | 95 Ų | 95 | 95 Ų | 95 | 47% | 0.468 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -87.9 | 121 | -179.3 | -75.1 | -65.7 | -62.3 | 0 | 0 | 111.3 | W517 R523 | W517-M521 HydrophobicContact CD2-CG 4.35Å; W517-M521 HydrophobicContact CG-CG 4.32Å; W517-M521 HydrophobicContact CZ2-SD 4.2Å; W517-M521 WeakPolarHBondContact O-CB 3.39Å; W517-M521 VanDerWaalsContact O-CG 3.28Å; W517-M521 WeakPolarHBondContact O-CG 3.43Å; W517-M521 PolarHBondContact O-N 3.45Å; M521-R523 PolarHBondContact O-N 3.14Å |
| 522 | P | 70.6 | Confident | 63.2 | Low | 29 Ų | 29 | 95.3 Ų | 95.3 | 19% | 0.188 | 52% | 0.518 | C | S | . | . | trans | -66.3 | 134.4 | 177.2 | 27.7 | -33.7 | 0 | 0 | 0 | 110.6 | Y453 | Y453-P522 HydrophobicContact CD2-CB 3.72Å; Y453-P522 HydrophobicContact CD2-CG 4.22Å; Y453-P522 HydrophobicContact CE2-CB 3.78Å; Y453-P522 HydrophobicContact CE2-CG 4.07Å | ||
| 523 | R | 72.5 | Confident | 63.4 | Low | 31 Ų | 31 | 94.8 Ų | 94.8 | 12% | 0.117 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -89 | -18.5 | -174.9 | -59.8 | -165.8 | -179 | -140.6 | -12.5 | 113.1 | E502 A505 Q506 C509 P510 P511 E518 M521 W525 S526 C527 | E502-R523 VanDerWaalsContact CD-N 3.33Å; E502-R523 PolarHBondContact OE1-N 3.12Å; E502-R523 PolarHBondContact OE2-N 2.99Å; A505-R523 HydrophobicContact CB-CB 4.32Å; Q506-R523 HydrophobicContact CG-CG 4.48Å; C509-R523 PolarHBondContact O-NH1 3.23Å; P510-R523 PolarHBondContact O-NH1 3.17Å; P511-R523 VanDerWaalsContact CA-NH2 3.3Å; E518-R523 PolarHBondContact O-NH2 3.49Å; E518-R523 IonicContact OE2-NH2 2.66Å; M521-R523 PolarHBondContact O-N 3.14Å; R523-W525 PolarHBondContact O-N 3.2Å; R523-S526 PolarHBondContact O-N 3.29Å; R523-S526 VanDerWaalsContact O-N 3.12Å; R523-S526 PolarHBondContact O-OG 3.14Å; R523-C527 VanDerWaalsContact O-CB 3.26Å; R523-C527 WeakPolarHBondContact O-CB 3.28Å; R523-C527 PolarHBondContact O-N 3.2Å |
| 524 | S | 70 | Confident | 63.3 | Low | 17 Ų | 17 | 98.3 Ų | 98.3 | 12% | 0.119 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -56.2 | -20.8 | 178.9 | 65.6 | 0 | 0 | 0 | 0 | 114 | E502 | E502-S524 VanDerWaalsContact OE2-CB 3.23Å; E502-S524 WeakPolarHBondContact OE2-CB 3.41Å; E502-S524 PolarHBondContact OE2-N 3.3Å; E502-S524 PolarHBondContact OE2-OG 3.35Å |
| 525 | W | 69.4 | Low | 63.3 | Low | 160 Ų | 160 | 93.4 Ų | 93.4 | 61% | 0.606 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -102.8 | -17.6 | -177.3 | -55.4 | 91.5 | 0 | 0 | 0 | 114 | M343 Y453 R523 | M343-W525 HydrophobicContact SD-CH2 3.65Å; M343-W525 HydrophobicContact SD-CZ2 4.48Å; M343-W525 HydrophobicContact SD-CZ3 4.34Å; Y453-W525 PolarHBondContact OH-NE1 2.94Å; R523-W525 PolarHBondContact O-N 3.2Å |
| 526 | S | 62.7 | Low | 62.9 | Low | 90 Ų | 90 | 95.8 Ų | 95.8 | 63% | 0.629 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -23.8 | -172.4 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | R523 S528 | R523-S526 PolarHBondContact O-N 3.29Å; R523-S526 VanDerWaalsContact O-N 3.12Å; R523-S526 PolarHBondContact O-OG 3.14Å; S526-S528 PolarHBondContact O-N 3.37Å |
| 527 | C | 65.6 | Low | 62.7 | Low | 25 Ų | 25 | 92.8 Ų | 92.8 | 17% | 0.169 | 47% | 0.472 | C | S | . | . | trans | -69.3 | 102.1 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | C509 R523 | C509-C527 HydrophobicContact CB-CB 3.82Å; C509-C527 WeakPolarHBondContact CB-SG 3.41Å; C509-C527 WeakPolarHBondContact SG-CB 3.32Å; C509-C527 CovalentContact SG-SG 2.03Å; C509-C527 PolarHBondContact SG-SG 3.43Å; R523-C527 VanDerWaalsContact O-CB 3.26Å; R523-C527 WeakPolarHBondContact O-CB 3.28Å; R523-C527 PolarHBondContact O-N 3.2Å | ||
| 528 | S | 57.9 | Low | 62.5 | Low | 82 Ų | 82 | 86.6 Ų | 86.6 | 57% | 0.573 | 46% | 0.458 | S | S | * | . | trans | -80.3 | 121.8 | 158.5 | 56.5 | 0 | 0 | 0 | 0 | 107.3 | S526 Q530 | S526-S528 PolarHBondContact O-N 3.37Å; S528-Q530 VanDerWaalsContact C-N 3.34Å; S528-Q530 PolarHBondContact O-N 2.83Å | ||
| 529 | Y | 56.9 | Low | 62.2 | Low | 66 Ų | 66 | 88.5 Ų | 88.5 | 26% | 0.259 | 47% | 0.471 | S | S | . | . | trans | -58.3 | 99.5 | 173.4 | -64.6 | -80.7 | 0 | 0 | 0 | 107.8 | H508 | H508-Y529 HydrophobicContact CB-CD1 4.24Å; H508-Y529 HydrophobicContact CB-CE1 3.99Å; H508-Y529 AromaticContact CG-CE1 3.9Å | ||
| 530 | Q | 43.1 | Very low | 62 | Low | 179 Ų | 179 | 87.7 Ų | 87.7 | 84% | 0.836 | 47% | 0.467 | S | S | * | . | trans | -70.3 | 143.6 | 175.8 | -79.2 | -175.5 | -20.2 | 0 | 0 | 108.9 | S528 | S528-Q530 VanDerWaalsContact C-N 3.34Å; S528-Q530 PolarHBondContact O-N 2.83Å | ||
| 531 | T | 35.8 | Very low | 61.3 | Low | 198 Ų | 198 | 88.4 Ų | 88.4 | 100% | 1.215 | 47% | 0.471 | S | S | * | . | trans | -70.2 | 0 | -162.7 | -18.6 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 531 of 531 residues in 428.4 ms
(Link to these results)