| 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 | 40.2 | Very low | 37.5 | Very low | 249 Ų | 249 | 145.3 Ų | 145.3 | 100% | 1.227 | 82% | 0.823 | S | S | * | * | 0 | 98.2 | 0 | -143.3 | 167.5 | -172.8 | 0 | 0 | 105.9 | |||||
| 2 | A | 36.2 | Very low | 37.4 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 140.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 3 | P | 37.9 | Very low | 36.8 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.5 | 174 | 28.4 | -31.1 | 0 | 0 | 0 | 110.6 | ||
| 4 | R | 40.6 | Very low | 36.3 | Very low | 236 Ų | 236 | 133.2 Ų | 133.2 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.1 | -179.8 | -69.4 | 177.8 | 172 | 137.9 | -3.3 | 111 | ||
| 5 | P | 39.1 | Very low | 36.3 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 134.3 | 175 | 29.6 | -32.2 | 0 | 0 | 0 | 110.4 | ||
| 6 | L | 37 | Very low | 36.2 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 89% | 0.885 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 127.9 | 167.9 | -71.6 | 162.7 | 0 | 0 | 0 | 108.5 | ||
| 7 | G | 39.3 | Very low | 36.1 | Very low | 49 Ų | 49 | 119.4 Ų | 119.4 | 51% | 0.505 | 73% | 0.731 | S | S | . | * | trans | -75.1 | 178 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L9 | G7-L9 PolarHBondContact O-N 3.42Š| ||
| 8 | P | 37.8 | Very low | 36.5 | Very low | 123 Ų | 123 | 116.4 Ų | 116.4 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -67.4 | 4.4 | -163.9 | -11.7 | 23.5 | 0 | 0 | 0 | 117.1 | V10 | P8-V10 PolarHBondContact O-N 3.41Š|
| 9 | L | 35.6 | Very low | 36.7 | Very low | 140 Ų | 140 | 115.4 Ų | 115.4 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -76.9 | -17.5 | -171.1 | -104.3 | 99.7 | 0 | 0 | 0 | 114.9 | G7 | G7-L9 PolarHBondContact O-N 3.42Š|
| 10 | V | 33.6 | Very low | 36.8 | Very low | 118 Ų | 118 | 115.1 Ų | 115.1 | 72% | 0.715 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -78.2 | -21.4 | -176.5 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | P8 | P8-V10 PolarHBondContact O-N 3.41Š|
| 11 | L | 35.6 | Very low | 37.1 | Very low | 163 Ų | 163 | 111.6 Ų | 111.6 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -83 | -14.8 | 176 | -90.1 | 155.2 | 0 | 0 | 0 | 113.8 | ||
| 12 | A | 35.9 | Very low | 37.6 | Very low | 69 Ų | 69 | 102.1 Ų | 102.1 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -82.9 | -17.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 13 | L | 29.2 | Very low | 38.3 | Very low | 137 Ų | 137 | 100.4 Ų | 100.4 | 72% | 0.717 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -87.6 | -24.5 | -175.7 | -77.8 | 161 | 0 | 0 | 0 | 113.8 | ||
| 14 | G | 31 | Very low | 39 | Very low | 61 Ų | 61 | 99.8 Ų | 99.8 | 63% | 0.629 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.1 | -31.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 15 | G | 35.1 | Very low | 39.5 | Very low | 47 Ų | 47 | 94.3 Ų | 94.3 | 49% | 0.485 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -80.9 | -28.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V19 | G15-V19 WeakPolarHBondContact O-CG2 3.24Å |
| 16 | A | 35.8 | Very low | 40.5 | Very low | 47 Ų | 47 | 90 Ų | 90 | 39% | 0.388 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -75.1 | -29.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L20 | A16-L20 WeakPolarHBondContact O-CB 3.46Å; A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 3.37Å; A16-L20 VanDerWaalsContact O-N 3.07Å |
| 17 | A | 34.2 | Very low | 41.2 | Very low | 71 Ų | 71 | 86.6 Ų | 86.6 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70 | -37.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G21 | A17-G21 PolarHBondContact O-N 3.14Å |
| 18 | A | 42.7 | Very low | 41.8 | Very low | 66 Ų | 66 | 92 Ų | 92 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71 | -36.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S22 | A18-S22 WeakPolarHBondContact O-CB 3.2Å; A18-S22 PolarHBondContact O-N 3.23Å; A18-S22 VanDerWaalsContact O-N 3.12Å; A18-S22 PolarHBondContact O-OG 3.24Å |
| 19 | V | 40.1 | Very low | 42.7 | Very low | 96 Ų | 96 | 90.5 Ų | 90.5 | 58% | 0.582 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -74 | -41.3 | -179.8 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | G15 S22 V23 | G15-V19 WeakPolarHBondContact O-CG2 3.24Å; V19-S22 PolarHBondContact O-N 2.97Å; V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.36Å; V19-V23 PolarHBondContact O-N 3.31Å; V19-V23 VanDerWaalsContact O-N 3.09Å |
| 20 | L | 39.9 | Very low | 43.8 | Very low | 110 Ų | 110 | 88.6 Ų | 88.6 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.2 | -38.9 | 175.2 | -76.1 | 167.3 | 0 | 0 | 0 | 112.3 | A16 S22 V23 L24 | A16-L20 WeakPolarHBondContact O-CB 3.46Å; A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 3.37Å; A16-L20 VanDerWaalsContact O-N 3.07Å; L20-S22 VanDerWaalsContact C-N 3.33Å; L20-S22 PolarHBondContact O-N 2.68Å; L20-V23 PolarHBondContact O-N 3.33Å; L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 PolarHBondContact O-N 3.3Å |
| 21 | G | 42.5 | Very low | 44.3 | Very low | 41 Ų | 41 | 92.2 Ų | 92.2 | 42% | 0.423 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A17 F25 | A17-G21 PolarHBondContact O-N 3.14Å; G21-F25 VanDerWaalsContact O-CB 3.26Å; G21-F25 WeakPolarHBondContact O-CB 3.47Å; G21-F25 PolarHBondContact O-N 3.41Å |
| 22 | S | 50.1 | Low | 44.8 | Very low | 51 Ų | 51 | 91.7 Ų | 91.7 | 36% | 0.357 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70 | -40.8 | 178.8 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | A18 V19 L20 F25 I26 F112 | A18-S22 WeakPolarHBondContact O-CB 3.2Å; A18-S22 PolarHBondContact O-N 3.23Å; A18-S22 VanDerWaalsContact O-N 3.12Å; A18-S22 PolarHBondContact O-OG 3.24Å; V19-S22 PolarHBondContact O-N 2.97Å; L20-S22 VanDerWaalsContact C-N 3.33Å; L20-S22 PolarHBondContact O-N 2.68Å; S22-F25 PolarHBondContact O-N 3.03Å; S22-I26 WeakPolarHBondContact O-CG1 3.23Å; S22-I26 PolarHBondContact O-N 3.13Å; S22-F112 VanDerWaalsContact C-CZ 3.45Å; S22-F112 WeakPolarHBondContact O-CZ 3.45Å |
| 23 | V | 52.1 | Low | 44.8 | Very low | 57 Ų | 57 | 91.2 Ų | 91.2 | 35% | 0.345 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | V19 L20 L27 F112 | V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.36Å; V19-V23 PolarHBondContact O-N 3.31Å; V19-V23 VanDerWaalsContact O-N 3.09Å; L20-V23 PolarHBondContact O-N 3.33Å; V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.47Å; V23-L27 WeakPolarHBondContact O-CB 3.47Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.39Å; V23-L27 PolarHBondContact O-N 3.13Å; V23-F112 HydrophobicContact CB-CE1 4.5Å; V23-F112 HydrophobicContact CG2-CE1 3.74Å; V23-F112 HydrophobicContact CG2-CZ 3.97Å |
| 24 | L | 51 | Low | 45.7 | Very low | 117 Ų | 117 | 96.4 Ų | 96.4 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 172.5 | -109.1 | 93.3 | 0 | 0 | 0 | 112 | L20 L27 W28 | L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 PolarHBondContact O-N 3.3Å; L24-L27 PolarHBondContact O-N 3.44Å; L24-W28 WeakPolarHBondContact O-CB 3.4Å; L24-W28 PolarHBondContact O-N 2.98Å |
| 25 | F | 53.1 | Low | 45.8 | Very low | 120 Ų | 120 | 96.8 Ų | 96.8 | 53% | 0.526 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 178 | 179.6 | -100.2 | 0 | 0 | 0 | 111.9 | G21 S22 W28 K29 | G21-F25 VanDerWaalsContact O-CB 3.26Å; G21-F25 WeakPolarHBondContact O-CB 3.47Å; G21-F25 PolarHBondContact O-N 3.41Å; S22-F25 PolarHBondContact O-N 3.03Å; F25-W28 HydrophobicContact CD2-CE3 4.14Å; F25-W28 HydrophobicContact CD2-CZ3 4.4Å; F25-W28 HydrophobicContact CE2-CE3 4.24Å; F25-W28 HydrophobicContact CE2-CZ3 4.1Å; F25-W28 PolarHBondContact O-N 3.11Å; F25-K29 WeakPolarHBondContact O-CB 3.49Å; F25-K29 PolarHBondContact O-N 2.76Å |
| 26 | I | 58 | Low | 46.1 | Very low | 38 Ų | 38 | 100.7 Ų | 100.7 | 20% | 0.195 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -71 | -39.6 | 176.6 | -63.7 | -171.7 | 0 | 0 | 0 | 111.3 | S22 W28 K29 T30 F112 | S22-I26 WeakPolarHBondContact O-CG1 3.23Å; S22-I26 PolarHBondContact O-N 3.13Å; I26-W28 VanDerWaalsContact C-N 3.26Å; I26-W28 PolarHBondContact O-N 3.23Å; I26-K29 PolarHBondContact O-N 2.89Å; I26-T30 HydrophobicContact CG2-CG2 4.35Å; I26-T30 WeakPolarHBondContact O-CB 3.35Å; I26-T30 WeakPolarHBondContact O-CG2 3.14Å; I26-T30 PolarHBondContact O-N 2.96Å; I26-T30 PolarHBondContact O-OG1 3.33Å; I26-F112 HydrophobicContact CB-CZ 4.49Å; I26-F112 HydrophobicContact CD1-CD1 3.92Å; I26-F112 HydrophobicContact CD1-CD2 3.71Å; I26-F112 HydrophobicContact CD1-CE1 3.61Å; I26-F112 HydrophobicContact CD1-CE2 3.35Å; I26-F112 HydrophobicContact CD1-CG 3.98Å; I26-F112 HydrophobicContact CD1-CZ 3.31Å; I26-F112 HydrophobicContact CG1-CE1 4.41Å; I26-F112 HydrophobicContact CG1-CE2 4.21Å; I26-F112 HydrophobicContact CG1-CZ 3.94Å |
| 27 | L | 51.8 | Low | 46.6 | Very low | 98 Ų | 98 | 107.2 Ų | 107.2 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.7 | -36.1 | 171.9 | -74.1 | 172.5 | 0 | 0 | 0 | 111.7 | V23 L24 T30 Y31 | V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.47Å; V23-L27 WeakPolarHBondContact O-CB 3.47Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.39Å; V23-L27 PolarHBondContact O-N 3.13Å; L24-L27 PolarHBondContact O-N 3.44Å; L27-T30 VanDerWaalsContact CA-OG1 3.3Å; L27-T30 WeakPolarHBondContact CA-OG1 3.37Å; L27-T30 PolarHBondContact O-OG1 3.37Å; L27-T30 VanDerWaalsContact O-OG1 3.09Å; L27-Y31 WeakPolarHBondContact O-CB 3.48Å; L27-Y31 PolarHBondContact O-N 3.43Å |
| 28 | W | 53.1 | Low | 46.5 | Very low | 161 Ų | 161 | 114.6 Ų | 114.6 | 61% | 0.61 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.3 | -47.7 | 175.4 | 179 | 70.8 | 0 | 0 | 0 | 112.1 | L24 F25 I26 T30 Y31 F32 | L24-W28 WeakPolarHBondContact O-CB 3.4Å; L24-W28 PolarHBondContact O-N 2.98Å; F25-W28 HydrophobicContact CD2-CE3 4.14Å; F25-W28 HydrophobicContact CD2-CZ3 4.4Å; F25-W28 HydrophobicContact CE2-CE3 4.24Å; F25-W28 HydrophobicContact CE2-CZ3 4.1Å; F25-W28 PolarHBondContact O-N 3.11Å; I26-W28 VanDerWaalsContact C-N 3.26Å; I26-W28 PolarHBondContact O-N 3.23Å; W28-T30 VanDerWaalsContact C-N 3.31Å; W28-T30 PolarHBondContact O-N 3.06Å; W28-Y31 PolarHBondContact O-N 3.03Å; W28-F32 AromaticContact CD1-CD2 3.52Å; W28-F32 HydrophobicContact CG-CD2 4.37Å; W28-F32 WeakPolarHBondContact O-CB 3.42Å; W28-F32 PolarHBondContact O-N 2.92Å |
| 29 | K | 55.8 | Low | 45.9 | Very low | 93 Ų | 93 | 121.4 Ų | 121.4 | 40% | 0.404 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -57 | -43.6 | 174.3 | -168.4 | 179.5 | 178.5 | 179.8 | 0 | 110.8 | F25 I26 G33 E79 | F25-K29 WeakPolarHBondContact O-CB 3.49Å; F25-K29 PolarHBondContact O-N 2.76Å; I26-K29 PolarHBondContact O-N 2.89Å; K29-G33 WeakPolarHBondContact O-CA 3.38Å; K29-G33 PolarHBondContact O-N 3.47Å; K29-E79 IonicContact NZ-OE1 2.65Å; K29-E79 PolarHBondContact NZ-OE1 3Å |
| 30 | T | 60.3 | Low | 45.3 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.1 | -32.7 | 179.9 | 49 | 0 | 0 | 0 | 0 | 114.7 | I26 L27 W28 | I26-T30 HydrophobicContact CG2-CG2 4.35Å; I26-T30 WeakPolarHBondContact O-CB 3.35Å; I26-T30 WeakPolarHBondContact O-CG2 3.14Å; I26-T30 PolarHBondContact O-N 2.96Å; I26-T30 PolarHBondContact O-OG1 3.33Å; L27-T30 VanDerWaalsContact CA-OG1 3.3Å; L27-T30 WeakPolarHBondContact CA-OG1 3.37Å; L27-T30 PolarHBondContact O-OG1 3.37Å; L27-T30 VanDerWaalsContact O-OG1 3.09Å; W28-T30 VanDerWaalsContact C-N 3.31Å; W28-T30 PolarHBondContact O-N 3.06Å |
| 31 | Y | 42.8 | Very low | 45 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 76% | 0.761 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -92.8 | -28.4 | -179.6 | -104.4 | -95.9 | 0 | 0 | 0 | 115 | L27 W28 | L27-Y31 WeakPolarHBondContact O-CB 3.48Å; L27-Y31 PolarHBondContact O-N 3.43Å; W28-Y31 PolarHBondContact O-N 3.03Å |
| 32 | F | 45.6 | Very low | 44.5 | Very low | 152 Ų | 152 | 137 Ų | 137 | 67% | 0.667 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -118.6 | -4.3 | -170.7 | -65.3 | -81.6 | 0 | 0 | 0 | 114.5 | W28 R34 | W28-F32 AromaticContact CD1-CD2 3.52Å; W28-F32 HydrophobicContact CG-CD2 4.37Å; W28-F32 WeakPolarHBondContact O-CB 3.42Å; W28-F32 PolarHBondContact O-N 2.92Å; F32-R34 VanDerWaalsContact C-N 3.26Å; F32-R34 PolarHBondContact O-N 3.22Å |
| 33 | G | 37.2 | Very low | 43.6 | Very low | 59 Ų | 59 | 137.7 Ų | 137.7 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | trans | -76.2 | 44.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | K29 | K29-G33 WeakPolarHBondContact O-CA 3.38Å; K29-G33 PolarHBondContact O-N 3.47Å | ||
| 34 | R | 47.8 | Very low | 42.7 | Very low | 246 Ų | 246 | 143.2 Ų | 143.2 | 93% | 0.928 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -160.8 | 95.9 | 159.6 | -111.6 | 176.2 | -162.9 | 149.5 | 8.4 | 112.6 | F32 | F32-R34 VanDerWaalsContact C-N 3.26Å; F32-R34 PolarHBondContact O-N 3.22Å |
| 35 | G | 33.3 | Very low | 41.7 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 175.6 | 140.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 36 | P | 41.4 | Very low | 40.7 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 84% | 0.844 | 70% | 0.702 | S | S | * | * | trans | -75.7 | 136 | -177.4 | 30.5 | -31.5 | 0 | 0 | 0 | 111.8 | ||||
| 37 | E | 46.8 | Very low | 39.5 | Very low | 184 Ų | 184 | 156.5 Ų | 156.5 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | 34.5 | 126.2 | 162.1 | -81.2 | 178.5 | 148.6 | 0 | 0 | 120.1 | ||||
| 38 | R | 30.6 | Very low | 38.6 | Very low | 226 Ų | 226 | 156 Ų | 156 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -145.2 | 111.6 | 135.9 | -68.4 | -164 | -171.4 | 153.1 | 8.1 | 113 | W40 | R38-W40 PolarHBondContact O-N 3.45Š| ||
| 39 | R | 30.7 | Very low | 37.7 | Very low | 209 Ų | 209 | 153.1 Ų | 153.1 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | trans | -19.6 | 117.2 | 146.3 | -174.2 | 174.5 | 73.6 | 153.1 | 5.5 | 114.1 | D41 | R39-D41 IonicContact CZ-OD2 3.45Å; R39-D41 IonicContact NE-OD2 2.97Å; R39-D41 IonicContact NH1-OD2 3.73Å; R39-D41 PolarHBondContact NH1-OD2 3.19Å; R39-D41 IonicContact NH2-OD2 3.71Å | ||
| 40 | W | 28.5 | Very low | 36.7 | Very low | 247 Ų | 247 | 158.3 Ų | 158.3 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -95.3 | 93.8 | 155.7 | -95.8 | -84.3 | 0 | 0 | 0 | 109.1 | R38 | R38-W40 PolarHBondContact O-N 3.45Š| ||
| 41 | D | 32.8 | Very low | 35.5 | Very low | 93 Ų | 93 | 158.2 Ų | 158.2 | 50% | 0.497 | 80% | 0.801 | S | S | . | * | trans | -73.8 | 130.4 | 156.1 | -101.8 | -40.3 | 0 | 0 | 0 | 108.8 | R39 | R39-D41 IonicContact CZ-OD2 3.45Å; R39-D41 IonicContact NE-OD2 2.97Å; R39-D41 IonicContact NH1-OD2 3.73Å; R39-D41 PolarHBondContact NH1-OD2 3.19Å; R39-D41 IonicContact NH2-OD2 3.71Å | ||
| 42 | R | 31.8 | Very low | 35.2 | Very low | 233 Ų | 233 | 153.2 Ų | 153.2 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | 72.1 | 118.1 | 146.4 | -137.7 | -173.9 | -60.6 | -179 | 0 | 118.9 | ||||
| 43 | G | 31.5 | Very low | 34.9 | Very low | 67 Ų | 67 | 158 Ų | 158 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | 114.6 | 111.4 | 126.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 44 | E | 33.2 | Very low | 35 | Very low | 172 Ų | 172 | 161.6 Ų | 161.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 89 | 102.3 | 147.4 | -54.9 | -175.9 | -176.9 | 0 | 0 | 119.4 | ||||
| 45 | A | 30.7 | Very low | 34.6 | Very low | 92 Ų | 92 | 154.6 Ų | 154.6 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -131.5 | 88.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | W47 | A45-W47 PolarHBondContact O-N 3.29Š| ||
| 46 | W | 32.1 | Very low | 34.9 | Very low | 216 Ų | 216 | 160.9 Ų | 160.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | 14.5 | 83.4 | 127.3 | -61.1 | 78 | 0 | 0 | 0 | 117.9 | |||||
| 47 | W | 32.4 | Very low | 35 | Very low | 247 Ų | 247 | 164.6 Ų | 164.6 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -142.9 | 111.3 | 137.5 | -67.4 | 106.5 | 0 | 0 | 0 | 109.2 | A45 | A45-W47 PolarHBondContact O-N 3.29Š| ||
| 48 | G | 33.5 | Very low | 35.1 | Very low | 88 Ų | 88 | 163.4 Ų | 163.4 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -74.2 | 122.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 49 | A | 33.8 | Very low | 35.8 | Very low | 99 Ų | 99 | 162.1 Ų | 162.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -148.4 | 131.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 50 | E | 34 | Very low | 36.6 | Very low | 202 Ų | 202 | 160.7 Ų | 160.7 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 146.4 | -173.7 | -164.4 | 163 | 162 | 0 | 0 | 112.4 | A52 | E50-A52 PolarHBondContact O-N 3.47Š|
| 51 | A | 36.1 | Very low | 37.6 | Very low | 97 Ų | 97 | 153.1 Ų | 153.1 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 52 | A | 36.5 | Very low | 38.4 | Very low | 90 Ų | 90 | 153 Ų | 153 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 123.7 | 154 | 0 | 0 | 0 | 0 | 0 | 108.1 | E50 L54 | E50-A52 PolarHBondContact O-N 3.47Å; A52-L54 PolarHBondContact O-N 3.45Å |
| 53 | R | 37.6 | Very low | 39.4 | Very low | 251 Ų | 251 | 150.2 Ų | 150.2 | 95% | 0.947 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 119 | -175.7 | -71.6 | 177.5 | -176.4 | 142.9 | 1.1 | 111.5 | ||
| 54 | L | 40.8 | Very low | 40.5 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 147.3 | 166.5 | -62.2 | 169.5 | 0 | 0 | 0 | 109.1 | A52 | A52-L54 PolarHBondContact O-N 3.45Š|
| 55 | P | 38.4 | Very low | 41.3 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 149.8 | 168.9 | 24.6 | -30.5 | 0 | 0 | 0 | 110.4 | W57 | P55-W57 VanDerWaalsContact O-CD1 3.24Å; P55-W57 PolarHBondContact O-N 3.01Å; P55-W57 VanDerWaalsContact O-N 3.13Å |
| 56 | E | 38.8 | Very low | 42.2 | Very low | 200 Ų | 200 | 156 Ų | 156 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 116.3 | 171.7 | -86.5 | 173.8 | 156.9 | 0 | 0 | 108.2 | ||
| 57 | W | 44.1 | Very low | 43.1 | Very low | 209 Ų | 209 | 152 Ų | 152 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 123.3 | 171 | -62.9 | 81.1 | 0 | 0 | 0 | 106.7 | P55 E59 | P55-W57 VanDerWaalsContact O-CD1 3.24Å; P55-W57 PolarHBondContact O-N 3.01Å; P55-W57 VanDerWaalsContact O-N 3.13Å; W57-E59 PolarHBondContact O-N 3.35Å |
| 58 | D | 49.9 | Very low | 44 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 139.1 | 163.5 | -80.1 | -40.7 | 0 | 0 | 0 | 108.1 | W60 | D58-W60 PolarHBondContact O-N 3.4Š|
| 59 | E | 44.5 | Very low | 44.9 | Very low | 200 Ų | 200 | 153.1 Ų | 153.1 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | trans | -47.9 | 109.1 | -179.2 | -82.6 | 174.9 | 146.1 | 0 | 0 | 109.8 | W57 D61 | W57-E59 PolarHBondContact O-N 3.35Å; E59-D61 PolarHBondContact O-N 3.24Å; E59-D61 VanDerWaalsContact O-N 3.14Å | ||
| 60 | W | 47.9 | Very low | 45.6 | Very low | 178 Ų | 178 | 153.8 Ų | 153.8 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | trans | -60.1 | 114.4 | 173.7 | 175.2 | 75.1 | 0 | 0 | 0 | 108.3 | D58 P62 E65 | D58-W60 PolarHBondContact O-N 3.4Å; W60-P62 HydrophobicContact CE3-CB 4.24Å; W60-P62 HydrophobicContact CH2-CB 3.89Å; W60-P62 HydrophobicContact CZ3-CB 3.71Å; W60-P62 WeakPolarHBondContact O-CD 3.28Å; W60-E65 PolarHBondContact NE1-OE2 2.97Å | ||
| 61 | D | 49 | Very low | 46.5 | Very low | 88 Ų | 88 | 148.2 Ų | 148.2 | 47% | 0.471 | 76% | 0.758 | S | S | . | * | trans | -78.8 | 113.6 | 172.6 | -166.2 | -16.8 | 0 | 0 | 0 | 108.2 | E59 E63 D64 | E59-D61 PolarHBondContact O-N 3.24Å; E59-D61 VanDerWaalsContact O-N 3.14Å; D61-E63 PolarHBondContact O-N 3.35Å; D61-E63 PolarHBondContact OD1-N 2.94Å; D61-D64 PolarHBondContact O-N 3.26Å | ||
| 62 | P | 50.5 | Low | 47.4 | Very low | 92 Ų | 92 | 151.3 Ų | 151.3 | 60% | 0.597 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -1.1 | -176.9 | 26.2 | -33.5 | 0 | 0 | 0 | 114.4 | W60 | W60-P62 HydrophobicContact CE3-CB 4.24Å; W60-P62 HydrophobicContact CH2-CB 3.89Å; W60-P62 HydrophobicContact CZ3-CB 3.71Å; W60-P62 WeakPolarHBondContact O-CD 3.28Å |
| 63 | E | 52.8 | Low | 48.4 | Very low | 173 Ų | 173 | 155 Ų | 155 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -4.9 | 179.5 | -65.9 | -171.2 | 176.2 | 0 | 0 | 114.8 | D61 | D61-E63 PolarHBondContact O-N 3.35Å; D61-E63 PolarHBondContact OD1-N 2.94Å |
| 64 | D | 53 | Low | 50 | Low | 131 Ų | 131 | 152.2 Ų | 152.2 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -107.9 | 4.9 | -172 | -86.5 | -22.1 | 0 | 0 | 0 | 116.2 | D61 | D61-D64 PolarHBondContact O-N 3.26Š|
| 65 | E | 51.3 | Low | 51.8 | Low | 131 Ų | 131 | 149.1 Ų | 149.1 | 61% | 0.612 | 74% | 0.744 | S | S | * | * | trans | -131.4 | 60.2 | 176.3 | -72.4 | 179.9 | 169.7 | 0 | 0 | 112.1 | W60 D67 | W60-E65 PolarHBondContact NE1-OE2 2.97Å; E65-D67 PolarHBondContact O-N 2.83Å | ||
| 66 | E | 49.5 | Very low | 54.2 | Low | 190 Ų | 190 | 150.4 Ų | 150.4 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | -85.7 | 47.2 | 141.8 | -76.8 | -174.1 | 174.4 | 0 | 0 | 108.9 | E68 | E66-E68 PolarHBondContact O-N 2.6Š| ||
| 67 | D | 50.5 | Low | 56.7 | Low | 132 Ų | 132 | 146.9 Ų | 146.9 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | -70.1 | 93.2 | 155.1 | -79.9 | -28.9 | 0 | 0 | 0 | 104.6 | E65 E69 | E65-D67 PolarHBondContact O-N 2.83Å; D67-E69 PolarHBondContact O-N 2.92Å | ||
| 68 | E | 50.6 | Low | 59.2 | Low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | -48.9 | 97.6 | 159.4 | -71.9 | -178.6 | 169.3 | 0 | 0 | 105.8 | E66 P70 | E66-E68 PolarHBondContact O-N 2.6Å; E68-P70 VanDerWaalsContact O-CD 3.29Å; E68-P70 WeakPolarHBondContact O-CD 3.43Å | ||
| 69 | E | 54 | Low | 61.4 | Low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 67% | 0.669 | S | S | * | * | trans | -47.8 | 115 | 161.9 | -79.9 | -167.9 | 158.8 | 0 | 0 | 103.5 | D67 A71 | D67-E69 PolarHBondContact O-N 2.92Å; E69-A71 PolarHBondContact O-N 3.06Å | ||
| 70 | P | 46.8 | Very low | 64 | Low | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | trans | -56.5 | 114.6 | -176.2 | 21.4 | -30.8 | 0 | 0 | 0 | 104 | E68 L72 | E68-P70 VanDerWaalsContact O-CD 3.29Å; E68-P70 WeakPolarHBondContact O-CD 3.43Å; P70-L72 VanDerWaalsContact C-N 3.33Å; P70-L72 PolarHBondContact O-N 3.36Å | ||
| 71 | A | 54.6 | Low | 66.4 | Low | 85 Ų | 85 | 116.6 Ų | 116.6 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | trans | -48.4 | 111.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 103.9 | E69 E73 | E69-A71 PolarHBondContact O-N 3.06Å; A71-E73 PolarHBondContact O-N 3.34Å | ||
| 72 | L | 53.3 | Low | 68.7 | Low | 162 Ų | 162 | 112.4 Ų | 112.4 | 85% | 0.848 | 57% | 0.57 | S | S | * | * | trans | -59.8 | 96.8 | 171.2 | -73.2 | 170.7 | 0 | 0 | 0 | 101.8 | P70 E74 | P70-L72 VanDerWaalsContact C-N 3.33Å; P70-L72 PolarHBondContact O-N 3.36Å; L72-E74 PolarHBondContact O-N 2.68Å | ||
| 73 | E | 59.5 | Low | 71 | Confident | 168 Ų | 168 | 108 Ų | 108 | 79% | 0.785 | 54% | 0.541 | S | S | * | . | trans | -50.8 | 113.2 | 179.2 | -76.8 | -177.5 | 162.9 | 0 | 0 | 103.9 | A71 L75 | A71-E73 PolarHBondContact O-N 3.34Å; E73-L75 PolarHBondContact O-N 2.77Å | ||
| 74 | E | 70.5 | Confident | 73.1 | Confident | 193 Ų | 193 | 99.8 Ų | 99.8 | 90% | 0.902 | 50% | 0.503 | S | S | * | . | trans | -60 | 101.5 | 178.2 | -75.1 | -172.5 | 158.2 | 0 | 0 | 104.7 | L72 E76 | L72-E74 PolarHBondContact O-N 2.68Å; E74-E76 PolarHBondContact O-N 2.98Å | ||
| 75 | L | 78.9 | Confident | 75.3 | Confident | 71 Ų | 71 | 94 Ų | 94 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 137 | -178 | -68 | 179.1 | 0 | 0 | 0 | 107.6 | E73 Q77 | E73-L75 PolarHBondContact O-N 2.77Å; L75-Q77 PolarHBondContact O-N 3.44Å |
| 76 | E | 89.1 | Confident | 77.4 | Confident | 125 Ų | 125 | 90 Ų | 90 | 58% | 0.584 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 134.6 | 175.3 | -70.2 | -171.1 | 169.5 | 0 | 0 | 109.2 | E74 R78 F122 E123 | E74-E76 PolarHBondContact O-N 2.98Å; E76-R78 IonicContact OE2-CZ 3.68Å; E76-R78 IonicContact OE2-NE 2.83Å; E76-R78 IonicContact OE2-NH2 3.82Å; E76-R78 PolarHBondContact OE2-NH2 2.82Å; E76-F122 HydrophobicContact CB-CB 4.4Å; E76-F122 WeakPolarHBondContact O-CA 3.29Å; E76-F122 VanDerWaalsContact O-CB 3.24Å; E76-F122 WeakPolarHBondContact O-CB 3.47Å; E76-E123 PolarHBondContact O-N 3.47Å |
| 77 | Q | 90.8 | Very high | 79.5 | Confident | 127 Ų | 127 | 83.3 Ų | 83.3 | 59% | 0.593 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 131.7 | 178.7 | -71.9 | 177.8 | 14.1 | 0 | 0 | 109.5 | L75 E123 | L75-Q77 PolarHBondContact O-N 3.44Å; Q77-E123 WeakPolarHBondContact CA-O 3.28Å |
| 78 | R | 96.2 | Very high | 81.7 | Confident | 65 Ų | 65 | 77.1 Ų | 77.1 | 25% | 0.245 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.9 | 177.5 | -62.5 | -61.8 | 176.9 | 165.4 | -0.9 | 109.3 | E76 F122 E123 V124 D125 D147 L243 | E76-R78 IonicContact OE2-CZ 3.68Å; E76-R78 IonicContact OE2-NE 2.83Å; E76-R78 IonicContact OE2-NH2 3.82Å; E76-R78 PolarHBondContact OE2-NH2 2.82Å; R78-F122 HydrophobicContact CB-CD2 4.09Å; R78-F122 HydrophobicContact CB-CE2 4.44Å; R78-F122 HydrophobicContact CG-CB 4.23Å; R78-F122 HydrophobicContact CG-CD2 3.59Å; R78-F122 HydrophobicContact CG-CE2 4.1Å; R78-F122 HydrophobicContact CG-CG 4Å; R78-E123 PolarHBondContact N-O 2.97Å; R78-V124 CarbonylContact O-C 3.57Å; R78-V124 WeakPolarHBondContact O-CA 3.41Å; R78-D125 PolarHBondContact O-N 3.39Å; R78-D147 VanDerWaalsContact CA-OD2 3.27Å; R78-D147 WeakPolarHBondContact CA-OD2 2.84Å; R78-D147 IonicContact NH1-OD1 3.52Å; R78-L243 HydrophobicContact CB-CB 4.4Å; R78-L243 HydrophobicContact CB-CD1 4.08Å; R78-L243 HydrophobicContact CB-CD2 4Å; R78-L243 HydrophobicContact CB-CG 4.37Å; R78-L243 HydrophobicContact CG-CB 4.3Å |
| 79 | E | 96.3 | Very high | 83.8 | Confident | 44 Ų | 44 | 69.2 Ų | 69.2 | 21% | 0.206 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.5 | -175.4 | -69.2 | -166.3 | 179.9 | 0 | 0 | 110.9 | K29 V146 D147 V148 | K29-E79 IonicContact NZ-OE1 2.65Å; K29-E79 PolarHBondContact NZ-OE1 3Å; E79-V146 HydrophobicContact CB-CB 4.29Å; E79-V146 HydrophobicContact CB-CG1 4.16Å; E79-D147 PolarHBondContact N-OD2 3.14Å; E79-D147 PolarHBondContact O-N 2.99Å; E79-V148 PolarHBondContact O-N 3.05Å |
| 80 | V | 98 | Very high | 85.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 118.2 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | V82 V124 D125 L126 L127 V148 V150 L239 L243 | V80-V82 HydrophobicContact CG1-CG2 4.43Å; V80-V124 HydrophobicContact CG2-CG1 3.8Å; V80-D125 PolarHBondContact N-O 2.9Å; V80-L126 HydrophobicContact CB-CD2 3.65Å; V80-L126 HydrophobicContact CG1-CD2 3.9Å; V80-L126 HydrophobicContact CG2-CD2 4.09Å; V80-L127 PolarHBondContact O-N 3.31Å; V80-V148 WeakPolarHBondContact CA-O 3.26Å; V80-V148 HydrophobicContact CG2-CB 4.47Å; V80-V150 HydrophobicContact CG1-CB 4.41Å; V80-V150 HydrophobicContact CG1-CG2 3.59Å; V80-L239 HydrophobicContact CG1-CD2 4.27Å; V80-L243 HydrophobicContact CG2-CD1 3.74Å; V80-L243 HydrophobicContact CG2-CD2 4.31Å |
| 81 | L | 98.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126.7 | 176.6 | -168.4 | 66.3 | 0 | 0 | 0 | 110.7 | L83 L127 I129 F142 V143 V146 V148 L149 V150 | L81-L83 HydrophobicContact CD1-CD2 4.34Å; L81-L83 HydrophobicContact CD2-CD1 3.62Å; L81-L83 HydrophobicContact CD2-CD2 4.3Å; L81-L83 HydrophobicContact CD2-CG 3.9Å; L81-L83 HydrophobicContact CG-CD1 4.17Å; L81-L83 HydrophobicContact CG-CD2 4.11Å; L81-L83 HydrophobicContact CG-CG 3.86Å; L81-L127 HydrophobicContact CD1-CB 4.3Å; L81-L127 HydrophobicContact CD1-CD2 3.97Å; L81-L127 HydrophobicContact CD1-CG 4.08Å; L81-I129 HydrophobicContact CD1-CG1 4.1Å; L81-F142 HydrophobicContact CD1-CB 3.77Å; L81-F142 HydrophobicContact CD2-CB 3.93Å; L81-F142 WeakPolarHBondContact CD2-O 3.49Å; L81-V143 HydrophobicContact CD2-CG2 4.14Å; L81-V146 HydrophobicContact CB-CB 4.26Å; L81-V146 HydrophobicContact CB-CG1 4.08Å; L81-V146 HydrophobicContact CB-CG2 3.97Å; L81-V148 PolarHBondContact N-O 3.06Å; L81-L149 HydrophobicContact CB-CD1 4.28Å; L81-L149 HydrophobicContact CD2-CD1 4.26Å; L81-L149 HydrophobicContact CG-CD1 4.38Å; L81-V150 PolarHBondContact O-N 2.83Å |
| 82 | V | 98.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 106.3 | 178.4 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | V80 K90 F93 L94 L127 E128 I129 V150 V152 | V80-V82 HydrophobicContact CG1-CG2 4.43Å; V82-K90 HydrophobicContact CG1-CB 4.16Å; V82-K90 HydrophobicContact CG1-CD 4.44Å; V82-K90 HydrophobicContact CG1-CG 4.18Å; V82-F93 HydrophobicContact CG1-CD1 4.08Å; V82-F93 HydrophobicContact CG2-CD1 4.48Å; V82-F93 HydrophobicContact CG2-CE1 4.37Å; V82-L94 HydrophobicContact CB-CD1 3.94Å; V82-L94 HydrophobicContact CG1-CD1 3.83Å; V82-L94 HydrophobicContact CG2-CD1 3.89Å; V82-L127 PolarHBondContact N-O 3.33Å; V82-E128 HydrophobicContact CB-CB 4.43Å; V82-E128 WeakPolarHBondContact O-CA 3.24Å; V82-I129 PolarHBondContact O-N 3.14Å; V82-V150 WeakPolarHBondContact CA-O 3.41Å; V82-V150 HydrophobicContact CG1-CG1 4.35Å; V82-V150 HydrophobicContact CG2-CB 4.26Å; V82-V152 HydrophobicContact CG1-CG2 3.96Å |
| 83 | L | 98.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 174.3 | 179.7 | -58.3 | -178 | 0 | 0 | 0 | 111.9 | L81 K90 I129 W139 L149 V150 F151 V152 L171 | L81-L83 HydrophobicContact CD1-CD2 4.34Å; L81-L83 HydrophobicContact CD2-CD1 3.62Å; L81-L83 HydrophobicContact CD2-CD2 4.3Å; L81-L83 HydrophobicContact CD2-CG 3.9Å; L81-L83 HydrophobicContact CG-CD1 4.17Å; L81-L83 HydrophobicContact CG-CD2 4.11Å; L81-L83 HydrophobicContact CG-CG 3.86Å; L83-K90 WeakPolarHBondContact O-CD 3.44Å; L83-I129 HydrophobicContact CD2-CB 3.67Å; L83-I129 HydrophobicContact CD2-CG1 3.81Å; L83-W139 HydrophobicContact CB-CD2 4.45Å; L83-W139 HydrophobicContact CB-CE3 4.48Å; L83-W139 HydrophobicContact CB-CZ2 4.45Å; L83-W139 HydrophobicContact CD1-CB 3.9Å; L83-W139 HydrophobicContact CD1-CD2 4.1Å; L83-W139 HydrophobicContact CD1-CE3 4.28Å; L83-W139 HydrophobicContact CD1-CG 4.01Å; L83-W139 HydrophobicContact CD2-CB 4.48Å; L83-W139 HydrophobicContact CD2-CD2 4.08Å; L83-W139 HydrophobicContact CD2-CG 3.92Å; L83-W139 HydrophobicContact CG-CD2 4.45Å; L83-L149 HydrophobicContact CB-CD1 4.13Å; L83-L149 HydrophobicContact CD1-CD1 3.92Å; L83-L149 HydrophobicContact CG-CD1 3.96Å; L83-V150 PolarHBondContact N-O 3.39Å; L83-F151 HydrophobicContact CB-CD2 4.07Å; L83-F151 HydrophobicContact CB-CE2 4.42Å; L83-F151 WeakPolarHBondContact O-CA 3.38Å; L83-V152 PolarHBondContact O-N 2.95Å; L83-L171 HydrophobicContact CD1-CD1 3.55Å; L83-L171 HydrophobicContact CD1-CD2 3.96Å; L83-L171 HydrophobicContact CD1-CG 4.4Å |
| 84 | G | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | 137.1 | 158.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112 | K90 G131 W139 V152 | G84-K90 WeakPolarHBondContact O-CE 3.48Å; G84-K90 PolarHBondContact O-NZ 2.81Å; G84-G131 WeakPolarHBondContact O-CA 3.49Å; G84-W139 VanDerWaalsContact C-CH2 3.42Å; G84-W139 VanDerWaalsContact O-CH2 3.32Å; G84-W139 WeakPolarHBondContact O-CH2 3.31Å; G84-W139 VanDerWaalsContact O-CZ2 3.25Å; G84-W139 WeakPolarHBondContact O-CZ2 3.36Å; G84-V152 WeakPolarHBondContact CA-O 3.44Å | ||
| 85 | L | 97.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | trans | -60.3 | 158.9 | -174.7 | -54 | -171.9 | 0 | 0 | 0 | 112 | G87 A88 K90 W139 R160 W163 A164 E167 | L85-G87 PolarHBondContact O-N 3.5Å; L85-A88 VanDerWaalsContact O-CB 3.22Å; L85-A88 WeakPolarHBondContact O-CB 3.21Å; L85-A88 PolarHBondContact O-N 3.31Å; L85-K90 PolarHBondContact O-NZ 2.88Å; L85-W139 HydrophobicContact CD2-CH2 4.44Å; L85-R160 HydrophobicContact CD1-CB 3.91Å; L85-W163 HydrophobicContact CD1-CB 4.22Å; L85-A164 HydrophobicContact CD1-CB 3.82Å; L85-A164 HydrophobicContact CG-CB 3.98Å; L85-E167 HydrophobicContact CD2-CG 4.43Å | ||
| 86 | D | 95.5 | Very high | 95.1 | Very high | 45 Ų | 45 | 31.1 Ų | 31.1 | 24% | 0.241 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 138.7 | 169.6 | 55.6 | -76.7 | 0 | 0 | 0 | 111.1 | A88 G131 R136 R160 | D86-A88 VanDerWaalsContact C-N 3.26Å; D86-A88 PolarHBondContact O-N 2.89Å; D86-G131 PolarHBondContact N-O 3.18Å; D86-G131 VanDerWaalsContact N-O 3.09Å; D86-R136 IonicContact OD1-CZ 3.44Å; D86-R136 IonicContact OD1-NH2 3.33Å; D86-R136 PolarHBondContact OD1-NH2 2.97Å; D86-R160 PolarHBondContact O-NH1 2.87Å; D86-R160 PolarHBondContact O-NH2 3.03Å; D86-R160 IonicContact OD1-NH1 2.72Å; D86-R160 IonicContact OD2-NH1 3.86Å; D86-R160 PolarHBondContact OD2-NH1 2.76Å |
| 87 | G | 94.5 | Very high | 95.2 | Very high | 50 Ų | 50 | 26.3 Ų | 26.3 | 52% | 0.515 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | -2.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L85 G89 K186 | L85-G87 PolarHBondContact O-N 3.5Å; G87-G89 PolarHBondContact O-N 3.33Å; G87-K186 WeakPolarHBondContact O-CE 3.26Å; G87-K186 PolarHBondContact O-NZ 2.89Å |
| 88 | A | 96.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -66.8 | -21.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L85 D86 V152 N185 | L85-A88 VanDerWaalsContact O-CB 3.22Å; L85-A88 WeakPolarHBondContact O-CB 3.21Å; L85-A88 PolarHBondContact O-N 3.31Å; D86-A88 VanDerWaalsContact C-N 3.26Å; D86-A88 PolarHBondContact O-N 2.89Å; A88-V152 HydrophobicContact CB-CB 4.4Å; A88-V152 HydrophobicContact CB-CG1 4.17Å; A88-V152 WeakPolarHBondContact CB-O 3.4Å; A88-N185 PolarHBondContact O-ND2 3.11Å |
| 89 | G | 94.9 | Very high | 94.8 | Very high | 15 Ų | 15 | 22 Ų | 22 | 16% | 0.155 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 107.3 | 14.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | G87 S91 T92 F93 | G87-G89 PolarHBondContact O-N 3.33Å; G89-S91 PolarHBondContact O-N 3.11Å; G89-T92 WeakPolarHBondContact O-CB 3.33Å; G89-T92 PolarHBondContact O-N 2.93Å; G89-F93 PolarHBondContact O-N 2.92Å |
| 90 | K | 95.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -52.3 | -53.9 | 178.6 | -60.2 | -176 | -56.6 | -67.8 | 0 | 114.1 | V82 L83 G84 L85 T92 F93 L94 E128 I129 V152 | V82-K90 HydrophobicContact CG1-CB 4.16Å; V82-K90 HydrophobicContact CG1-CD 4.44Å; V82-K90 HydrophobicContact CG1-CG 4.18Å; L83-K90 WeakPolarHBondContact O-CD 3.44Å; G84-K90 WeakPolarHBondContact O-CE 3.48Å; G84-K90 PolarHBondContact O-NZ 2.81Å; L85-K90 PolarHBondContact O-NZ 2.88Å; K90-T92 PolarHBondContact O-N 2.89Å; K90-F93 WeakPolarHBondContact O-CA 3.34Å; K90-F93 WeakPolarHBondContact O-CB 3.33Å; K90-F93 PolarHBondContact O-N 3.33Å; K90-L94 WeakPolarHBondContact O-CD1 3.31Å; K90-L94 PolarHBondContact O-N 3.21Å; K90-E128 HydrophobicContact CB-CG 4.04Å; K90-E128 WeakPolarHBondContact CB-OE1 3.36Å; K90-E128 HydrophobicContact CD-CG 4.47Å; K90-I129 WeakPolarHBondContact CE-O 3.45Å; K90-V152 HydrophobicContact CG-CB 3.93Å; K90-V152 HydrophobicContact CG-CG2 3.97Å |
| 91 | S | 94.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 29.3 Ų | 29.3 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -33.6 | -178.5 | -32.5 | 0 | 0 | 0 | 0 | 112.3 | G89 R95 T109 E128 | G89-S91 PolarHBondContact O-N 3.11Å; S91-R95 WeakPolarHBondContact O-CB 3.27Å; S91-R95 PolarHBondContact O-N 2.78Å; S91-R95 VanDerWaalsContact O-N 3.12Å; S91-T109 PolarHBondContact OG-OG1 3.34Å; S91-E128 WeakPolarHBondContact CA-OE1 3.46Å; S91-E128 VanDerWaalsContact CA-OE2 3.23Å; S91-E128 WeakPolarHBondContact CA-OE2 3.26Å; S91-E128 WeakPolarHBondContact CB-OE2 3.4Å; S91-E128 PolarHBondContact N-OE1 3.38Å; S91-E128 VanDerWaalsContact OG-CD 3.32Å; S91-E128 PolarHBondContact OG-OE1 3.32Å; S91-E128 PolarHBondContact OG-OE2 3.05Å |
| 92 | T | 93.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 13% | 0.129 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.6 | -39.7 | 173.2 | -48.9 | 0 | 0 | 0 | 0 | 111.4 | G89 K90 R95 V96 P102 I220 A221 | G89-T92 WeakPolarHBondContact O-CB 3.33Å; G89-T92 PolarHBondContact O-N 2.93Å; K90-T92 PolarHBondContact O-N 2.89Å; T92-R95 PolarHBondContact O-N 3.47Å; T92-V96 HydrophobicContact CG2-CG2 4.34Å; T92-V96 WeakPolarHBondContact O-CG2 3.36Å; T92-V96 PolarHBondContact O-N 3.47Å; T92-P102 HydrophobicContact CG2-CB 3.83Å; T92-I220 HydrophobicContact CG2-CG2 3.99Å; T92-A221 HydrophobicContact CG2-CB 3.91Å |
| 93 | F | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.8 | -54.4 | 173.7 | 178.7 | -112.1 | 0 | 0 | 0 | 111.6 | V82 G89 K90 R95 V96 L97 V150 I220 T232 I235 L239 | V82-F93 HydrophobicContact CG1-CD1 4.08Å; V82-F93 HydrophobicContact CG2-CD1 4.48Å; V82-F93 HydrophobicContact CG2-CE1 4.37Å; G89-F93 PolarHBondContact O-N 2.92Å; K90-F93 WeakPolarHBondContact O-CA 3.34Å; K90-F93 WeakPolarHBondContact O-CB 3.33Å; K90-F93 PolarHBondContact O-N 3.33Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 3.02Å; F93-V96 PolarHBondContact O-N 2.74Å; F93-L97 HydrophobicContact CD1-CD1 4.16Å; F93-L97 HydrophobicContact CD2-CD1 4.37Å; F93-L97 HydrophobicContact CD2-CG 4.44Å; F93-L97 HydrophobicContact CE1-CD1 3.56Å; F93-L97 HydrophobicContact CE2-CD1 3.81Å; F93-L97 HydrophobicContact CE2-CG 4.15Å; F93-L97 HydrophobicContact CZ-CD1 3.38Å; F93-L97 HydrophobicContact CZ-CG 4.22Å; F93-L97 WeakPolarHBondContact O-CG 3.37Å; F93-L97 PolarHBondContact O-N 2.81Å; F93-V150 HydrophobicContact CE1-CG1 3.92Å; F93-V150 HydrophobicContact CZ-CG1 4.22Å; F93-I220 HydrophobicContact CB-CD1 3.76Å; F93-I220 HydrophobicContact CD2-CD1 3.6Å; F93-I220 HydrophobicContact CD2-CG1 4.37Å; F93-I220 HydrophobicContact CG-CD1 4.09Å; F93-T232 HydrophobicContact CD2-CG2 4.26Å; F93-I235 HydrophobicContact CE2-CB 4.28Å; F93-I235 HydrophobicContact CE2-CD1 3.98Å; F93-I235 HydrophobicContact CE2-CG2 3.74Å; F93-I235 HydrophobicContact CZ-CG2 3.59Å; F93-L239 HydrophobicContact CZ-CD1 4.49Å |
| 94 | L | 94.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 178 | -84.5 | 74.8 | 0 | 0 | 0 | 110.9 | V82 K90 V96 L97 S98 V115 L126 E128 | V82-L94 HydrophobicContact CB-CD1 3.94Å; V82-L94 HydrophobicContact CG1-CD1 3.83Å; V82-L94 HydrophobicContact CG2-CD1 3.89Å; K90-L94 WeakPolarHBondContact O-CD1 3.31Å; K90-L94 PolarHBondContact O-N 3.21Å; L94-V96 PolarHBondContact O-N 3.49Å; L94-L97 PolarHBondContact O-N 2.92Å; L94-S98 WeakPolarHBondContact O-CB 3.44Å; L94-S98 PolarHBondContact O-N 2.81Å; L94-S98 PolarHBondContact O-OG 2.8Å; L94-V115 HydrophobicContact CD2-CG2 4.44Å; L94-L126 HydrophobicContact CD2-CB 4.32Å; L94-L126 HydrophobicContact CG-CB 4.2Å; L94-L126 HydrophobicContact CG-CD1 4.46Å; L94-E128 HydrophobicContact CD1-CB 3.82Å; L94-E128 HydrophobicContact CD1-CG 4.45Å; L94-E128 HydrophobicContact CD2-CB 3.54Å; L94-E128 HydrophobicContact CG-CB 4.36Å |
| 95 | R | 91.9 | Very high | 90.2 | Very high | 96 Ų | 96 | 46.9 Ų | 46.9 | 36% | 0.362 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | -177.8 | -170.8 | 174.3 | -177.5 | 94.2 | -0.8 | 112.2 | S91 T92 F93 S98 K100 P101 | S91-R95 WeakPolarHBondContact O-CB 3.27Å; S91-R95 PolarHBondContact O-N 2.78Å; S91-R95 VanDerWaalsContact O-N 3.12Å; T92-R95 PolarHBondContact O-N 3.47Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 3.02Å; R95-S98 WeakPolarHBondContact O-CB 3.49Å; R95-S98 PolarHBondContact O-N 2.91Å; R95-K100 HydrophobicContact CG-CB 3.48Å; R95-K100 VanDerWaalsContact CG-CB 3.48Å; R95-K100 HydrophobicContact CG-CD 4.29Å; R95-K100 WeakPolarHBondContact O-CB 3.45Å; R95-K100 PolarHBondContact O-N 2.99Å; R95-P101 WeakPolarHBondContact CD-O 3.31Å; R95-P101 WeakPolarHBondContact CG-O 3.34Å; R95-P101 PolarHBondContact NE-O 2.77Å |
| 96 | V | 91.6 | Very high | 89.1 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | T92 F93 L94 S98 G99 P102 I220 T232 | T92-V96 HydrophobicContact CG2-CG2 4.34Å; T92-V96 WeakPolarHBondContact O-CG2 3.36Å; T92-V96 PolarHBondContact O-N 3.47Å; F93-V96 PolarHBondContact O-N 2.74Å; L94-V96 PolarHBondContact O-N 3.49Å; V96-S98 PolarHBondContact O-N 3.18Å; V96-G99 PolarHBondContact O-N 3.15Å; V96-P102 HydrophobicContact CG2-CB 4.2Å; V96-P102 HydrophobicContact CG2-CG 3.81Å; V96-I220 HydrophobicContact CB-CG2 4.15Å; V96-I220 HydrophobicContact CG2-CG2 3.9Å; V96-T232 HydrophobicContact CB-CG2 4.38Å; V96-T232 HydrophobicContact CG1-CG2 3.77Å |
| 97 | L | 91.1 | Very high | 88.4 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -30 | 173.6 | -71.5 | -173.5 | 0 | 0 | 0 | 112.8 | F93 L94 G99 L117 L126 W236 | F93-L97 HydrophobicContact CD1-CD1 4.16Å; F93-L97 HydrophobicContact CD2-CD1 4.37Å; F93-L97 HydrophobicContact CD2-CG 4.44Å; F93-L97 HydrophobicContact CE1-CD1 3.56Å; F93-L97 HydrophobicContact CE2-CD1 3.81Å; F93-L97 HydrophobicContact CE2-CG 4.15Å; F93-L97 HydrophobicContact CZ-CD1 3.38Å; F93-L97 HydrophobicContact CZ-CG 4.22Å; F93-L97 WeakPolarHBondContact O-CG 3.37Å; F93-L97 PolarHBondContact O-N 2.81Å; L94-L97 PolarHBondContact O-N 2.92Å; L97-G99 PolarHBondContact O-N 2.83Å; L97-L117 HydrophobicContact CB-CD1 4.13Å; L97-L126 HydrophobicContact CB-CD1 4.12Å; L97-L126 HydrophobicContact CD1-CD1 3.67Å; L97-W236 HydrophobicContact CD1-CE3 4.11Å; L97-W236 HydrophobicContact CD2-CB 3.89Å; L97-W236 HydrophobicContact CD2-CE3 4.33Å; L97-W236 HydrophobicContact CD2-CG 4.38Å |
| 98 | S | 89.6 | Confident | 88 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 9 | 174.6 | -46.2 | 0 | 0 | 0 | 0 | 114.2 | L94 R95 V96 K100 V115 | L94-S98 WeakPolarHBondContact O-CB 3.44Å; L94-S98 PolarHBondContact O-N 2.81Å; L94-S98 PolarHBondContact O-OG 2.8Å; R95-S98 WeakPolarHBondContact O-CB 3.49Å; R95-S98 PolarHBondContact O-N 2.91Å; V96-S98 PolarHBondContact O-N 3.18Å; S98-K100 PolarHBondContact O-N 2.85Å; S98-V115 VanDerWaalsContact OG-CG1 3.25Å; S98-V115 WeakPolarHBondContact OG-CG1 3.24Å |
| 99 | G | 87.6 | Confident | 87.4 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 75% | 0.753 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 15.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V96 L97 | V96-G99 PolarHBondContact O-N 3.15Å; L97-G99 PolarHBondContact O-N 2.83Å |
| 100 | K | 87.9 | Confident | 86.9 | Confident | 108 Ų | 108 | 68.5 Ų | 68.5 | 47% | 0.47 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 151.9 | 178.7 | -65.6 | 170.4 | -172.4 | 167.7 | 0 | 110.1 | R95 S98 | R95-K100 HydrophobicContact CG-CB 3.48Å; R95-K100 VanDerWaalsContact CG-CB 3.48Å; R95-K100 HydrophobicContact CG-CD 4.29Å; R95-K100 WeakPolarHBondContact O-CB 3.45Å; R95-K100 PolarHBondContact O-N 2.99Å; S98-K100 PolarHBondContact O-N 2.85Å |
| 101 | P | 85.1 | Confident | 86.7 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 150.1 | 178.2 | 25.9 | -34.7 | 0 | 0 | 0 | 111.4 | R95 | R95-P101 WeakPolarHBondContact CD-O 3.31Å; R95-P101 WeakPolarHBondContact CG-O 3.34Å; R95-P101 PolarHBondContact NE-O 2.77Å |
| 102 | P | 86.1 | Confident | 86.5 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 39% | 0.39 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 156.8 | 176.3 | -23.1 | 31.5 | 0 | 0 | 0 | 113.6 | T92 V96 A221 | T92-P102 HydrophobicContact CG2-CB 3.83Å; V96-P102 HydrophobicContact CG2-CB 4.2Å; V96-P102 HydrophobicContact CG2-CG 3.81Å; P102-A221 HydrophobicContact CB-CB 3.65Å; P102-A221 HydrophobicContact CG-CB 4.25Å |
| 103 | L | 82.8 | Confident | 86.4 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 22% | 0.22 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 124.6 | 176 | -67.8 | 171.4 | 0 | 0 | 0 | 111 | G105 H106 | L103-G105 PolarHBondContact O-N 2.97Å; L103-H106 HydrophobicContact CD1-CB 4.04Å |
| 104 | E | 75.6 | Confident | 86.4 | Confident | 201 Ų | 201 | 74.8 Ų | 74.8 | 94% | 0.939 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -88.1 | 73.5 | 170.4 | -67 | -177.8 | -176.7 | 0 | 0 | 110.1 | ||
| 105 | G | 73.1 | Confident | 86.3 | Confident | 66 Ų | 66 | 76 Ų | 76 | 68% | 0.68 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 82.1 | 141.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | L103 | L103-G105 PolarHBondContact O-N 2.97Š|
| 106 | H | 75.1 | Confident | 86.5 | Confident | 120 Ų | 120 | 78.8 Ų | 78.8 | 56% | 0.556 | 43% | 0.433 | S | S | * | . | trans | -156.4 | 147.5 | -177.2 | -171.2 | -108.6 | 0 | 0 | 0 | 111 | L103 | L103-H106 HydrophobicContact CD1-CB 4.04Š| ||
| 107 | I | 81.9 | Confident | 86.5 | Confident | 126 Ų | 126 | 78.7 Ų | 78.7 | 65% | 0.646 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -74 | 138.9 | 173.6 | -60.7 | 172.8 | 0 | 0 | 0 | 107.7 | T109 | I107-T109 PolarHBondContact O-N 2.86Š|
| 108 | P | 85.8 | Confident | 86.5 | Confident | 75 Ų | 75 | 82.3 Ų | 82.3 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -48.3 | 134.4 | 177 | -28.4 | 35.1 | 0 | 0 | 0 | 111.9 | W110 | P108-W110 PolarHBondContact O-N 3.43Š|
| 109 | T | 84.1 | Confident | 86.5 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 14% | 0.141 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 122.5 | -180 | -51.2 | 0 | 0 | 0 | 0 | 110.5 | S91 I107 L135 | S91-T109 PolarHBondContact OG-OG1 3.34Å; I107-T109 PolarHBondContact O-N 2.86Å; T109-L135 WeakPolarHBondContact O-CD1 3.35Å |
| 110 | W | 84.6 | Confident | 86.5 | Confident | 232 Ų | 232 | 87.7 Ų | 87.7 | 88% | 0.879 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -94 | 106.6 | 172.7 | -72.3 | 67.6 | 0 | 0 | 0 | 108.1 | P108 | P108-W110 PolarHBondContact O-N 3.43Š|
| 111 | G | 89.9 | Confident | 86.6 | Confident | 28 Ų | 28 | 87.6 Ų | 87.6 | 29% | 0.289 | 46% | 0.464 | S | S | . | . | S | Bend | trans | 96.7 | -116.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G130 | G111-G130 PolarHBondContact O-N 2.96Š|
| 112 | F | 91.5 | Very high | 87 | Confident | 46 Ų | 46 | 84 Ų | 84 | 20% | 0.202 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 167.9 | -173 | 65.5 | -85.7 | 0 | 0 | 0 | 111.6 | S22 V23 I26 L127 E128 I129 | S22-F112 VanDerWaalsContact C-CZ 3.45Å; S22-F112 WeakPolarHBondContact O-CZ 3.45Å; V23-F112 HydrophobicContact CB-CE1 4.5Å; V23-F112 HydrophobicContact CG2-CE1 3.74Å; V23-F112 HydrophobicContact CG2-CZ 3.97Å; I26-F112 HydrophobicContact CB-CZ 4.49Å; I26-F112 HydrophobicContact CD1-CD1 3.92Å; I26-F112 HydrophobicContact CD1-CD2 3.71Å; I26-F112 HydrophobicContact CD1-CE1 3.61Å; I26-F112 HydrophobicContact CD1-CE2 3.35Å; I26-F112 HydrophobicContact CD1-CG 3.98Å; I26-F112 HydrophobicContact CD1-CZ 3.31Å; I26-F112 HydrophobicContact CG1-CE1 4.41Å; I26-F112 HydrophobicContact CG1-CE2 4.21Å; I26-F112 HydrophobicContact CG1-CZ 3.94Å; F112-L127 HydrophobicContact CB-CD1 4.35Å; F112-L127 HydrophobicContact CD2-CD1 4.07Å; F112-E128 CarbonylContact C-O 3.6Å; F112-E128 WeakPolarHBondContact CA-O 3.13Å; F112-E128 VanDerWaalsContact CB-O 3.25Å; F112-E128 WeakPolarHBondContact CB-O 3.21Å; F112-I129 HydrophobicContact CB-CD1 3.58Å |
| 113 | N | 91.4 | Very high | 87.3 | Confident | 60 Ų | 60 | 83.1 Ų | 83.1 | 32% | 0.321 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 140.5 | 176.7 | 173.1 | 37.3 | 0 | 0 | 0 | 107.8 | E128 | N113-E128 HydrophobicContact CB-CB 4.28Å; N113-E128 PolarHBondContact N-O 2.74Å; N113-E128 PolarHBondContact ND2-OE2 3.34Å; N113-E128 WeakPolarHBondContact O-CA 3.14Å; N113-E128 PolarHBondContact O-N 2.76Å |
| 114 | S | 93.3 | Very high | 88 | Confident | 47 Ų | 47 | 81.1 Ų | 81.1 | 33% | 0.329 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.3 | 177.1 | 146.4 | 0 | 0 | 0 | 0 | 110.3 | D125 L126 | S114-D125 PolarHBondContact OG-OD1 3.34Å; S114-L126 VanDerWaalsContact CA-O 3.26Å; S114-L126 WeakPolarHBondContact CA-O 3.45Å |
| 115 | V | 93.3 | Very high | 88.9 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 17% | 0.17 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 126.9 | 168.1 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | L94 S98 L117 L126 | L94-V115 HydrophobicContact CD2-CG2 4.44Å; S98-V115 VanDerWaalsContact OG-CG1 3.25Å; S98-V115 WeakPolarHBondContact OG-CG1 3.24Å; V115-L117 HydrophobicContact CG1-CD2 3.87Å; V115-L117 HydrophobicContact CG1-CG 4.38Å; V115-L126 PolarHBondContact N-O 2.75Å; V115-L126 WeakPolarHBondContact O-CB 3.17Å; V115-L126 PolarHBondContact O-N 3.31Å |
| 116 | R | 94.5 | Very high | 90.1 | Very high | 154 Ų | 154 | 70 Ų | 70 | 58% | 0.581 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131 | 172 | -63.1 | -171.3 | -111.9 | 163.1 | 1.7 | 111.5 | E123 V124 D125 | R116-E123 HydrophobicContact CB-CG 4.32Å; R116-E123 WeakPolarHBondContact CD-OE1 3.26Å; R116-E123 IonicContact NE-OE1 3.03Å; R116-E123 IonicContact NH1-OE1 3.13Å; R116-E123 PolarHBondContact NH1-OE1 2.83Å; R116-V124 CarbonylContact C-O 3.55Å; R116-V124 VanDerWaalsContact CA-O 3.31Å; R116-V124 WeakPolarHBondContact CA-O 3.29Å; R116-D125 HydrophobicContact CG-CB 4.21Å |
| 117 | L | 92.6 | Very high | 91.1 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 109.7 | -178.4 | -59.1 | 178.1 | 0 | 0 | 0 | 108.4 | L97 V115 V124 L126 W236 | L97-L117 HydrophobicContact CB-CD1 4.13Å; V115-L117 HydrophobicContact CG1-CD2 3.87Å; V115-L117 HydrophobicContact CG1-CG 4.38Å; L117-V124 PolarHBondContact N-O 3.28Å; L117-V124 PolarHBondContact O-N 2.84Å; L117-L126 HydrophobicContact CD1-CD1 3.59Å; L117-L126 HydrophobicContact CD1-CG 4.18Å; L117-L126 HydrophobicContact CG-CD1 4.45Å; L117-W236 HydrophobicContact CB-CH2 3.89Å; L117-W236 HydrophobicContact CB-CZ2 4.28Å; L117-W236 HydrophobicContact CD1-CE3 4.42Å; L117-W236 HydrophobicContact CD1-CH2 3.59Å; L117-W236 HydrophobicContact CD1-CZ2 4.21Å; L117-W236 HydrophobicContact CD1-CZ3 3.71Å; L117-W236 HydrophobicContact CG-CH2 4.38Å |
| 118 | P | 90.8 | Very high | 91.7 | Very high | 101 Ų | 101 | 59.4 Ų | 59.4 | 66% | 0.656 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 135.8 | 176.4 | 28.7 | -33.4 | 0 | 0 | 0 | 109.6 | ||
| 119 | T | 89.9 | Confident | 92.2 | Very high | 35 Ų | 35 | 56 Ų | 56 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | trans | -109.7 | -172.2 | 168 | 81.9 | 0 | 0 | 0 | 0 | 109.3 | D121 F122 V124 W236 L240 | T119-D121 PolarHBondContact OG1-N 2.77Å; T119-F122 WeakPolarHBondContact CA-O 3.02Å; T119-F122 VanDerWaalsContact CB-O 3.28Å; T119-F122 WeakPolarHBondContact CB-O 3.37Å; T119-F122 HydrophobicContact CG2-CD2 4.2Å; T119-F122 HydrophobicContact CG2-CE2 4.04Å; T119-F122 PolarHBondContact N-O 2.83Å; T119-F122 PolarHBondContact OG1-N 2.86Å; T119-F122 PolarHBondContact OG1-O 2.86Å; T119-V124 HydrophobicContact CG2-CG2 3.95Å; T119-W236 HydrophobicContact CG2-CZ2 4.24Å; T119-L240 HydrophobicContact CG2-CD2 3.68Å | ||
| 120 | K | 87.8 | Confident | 92.6 | Very high | 179 Ų | 179 | 55 Ų | 55 | 78% | 0.778 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -70.1 | -39.3 | 176.7 | -174.4 | -167.9 | 165.5 | -148.2 | 0 | 111.8 | ||
| 121 | D | 88.6 | Confident | 93.1 | Very high | 106 Ų | 106 | 44 Ų | 44 | 57% | 0.567 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -114.7 | -22.8 | -165.7 | -51.7 | -54.7 | 0 | 0 | 0 | 112.5 | T119 | T119-D121 PolarHBondContact OG1-N 2.77Š|
| 122 | F | 93.4 | Very high | 93.3 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 169.6 | 179.1 | 54.8 | -94 | 0 | 0 | 0 | 112.7 | E76 R78 T119 V124 L240 L243 | E76-F122 HydrophobicContact CB-CB 4.4Å; E76-F122 WeakPolarHBondContact O-CA 3.29Å; E76-F122 VanDerWaalsContact O-CB 3.24Å; E76-F122 WeakPolarHBondContact O-CB 3.47Å; R78-F122 HydrophobicContact CB-CD2 4.09Å; R78-F122 HydrophobicContact CB-CE2 4.44Å; R78-F122 HydrophobicContact CG-CB 4.23Å; R78-F122 HydrophobicContact CG-CD2 3.59Å; R78-F122 HydrophobicContact CG-CE2 4.1Å; R78-F122 HydrophobicContact CG-CG 4Å; T119-F122 WeakPolarHBondContact CA-O 3.02Å; T119-F122 VanDerWaalsContact CB-O 3.28Å; T119-F122 WeakPolarHBondContact CB-O 3.37Å; T119-F122 HydrophobicContact CG2-CD2 4.2Å; T119-F122 HydrophobicContact CG2-CE2 4.04Å; T119-F122 PolarHBondContact N-O 2.83Å; T119-F122 PolarHBondContact OG1-N 2.86Å; T119-F122 PolarHBondContact OG1-O 2.86Å; F122-V124 HydrophobicContact CD2-CG2 3.68Å; F122-V124 HydrophobicContact CE2-CG2 3.4Å; F122-V124 VanDerWaalsContact CE2-CG2 3.4Å; F122-L240 HydrophobicContact CE2-CD2 4.04Å; F122-L240 HydrophobicContact CZ-CD2 3.89Å; F122-L243 HydrophobicContact CE2-CB 3.8Å; F122-L243 HydrophobicContact CE2-CD1 4.13Å; F122-L243 HydrophobicContact CZ-CB 3.78Å |
| 123 | E | 94 | Very high | 93.3 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 19% | 0.192 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.7 | 172.3 | -173.8 | 170.5 | 114.2 | 0 | 0 | 110.7 | E76 Q77 R78 R116 | E76-E123 PolarHBondContact O-N 3.47Å; Q77-E123 WeakPolarHBondContact CA-O 3.28Å; R78-E123 PolarHBondContact N-O 2.97Å; R116-E123 HydrophobicContact CB-CG 4.32Å; R116-E123 WeakPolarHBondContact CD-OE1 3.26Å; R116-E123 IonicContact NE-OE1 3.03Å; R116-E123 IonicContact NH1-OE1 3.13Å; R116-E123 PolarHBondContact NH1-OE1 2.83Å |
| 124 | V | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.1 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | R78 V80 R116 L117 T119 F122 L126 W236 L240 L243 | R78-V124 CarbonylContact O-C 3.57Å; R78-V124 WeakPolarHBondContact O-CA 3.41Å; V80-V124 HydrophobicContact CG2-CG1 3.8Å; R116-V124 CarbonylContact C-O 3.55Å; R116-V124 VanDerWaalsContact CA-O 3.31Å; R116-V124 WeakPolarHBondContact CA-O 3.29Å; L117-V124 PolarHBondContact N-O 3.28Å; L117-V124 PolarHBondContact O-N 2.84Å; T119-V124 HydrophobicContact CG2-CG2 3.95Å; F122-V124 HydrophobicContact CD2-CG2 3.68Å; F122-V124 HydrophobicContact CE2-CG2 3.4Å; F122-V124 VanDerWaalsContact CE2-CG2 3.4Å; V124-L126 HydrophobicContact CG1-CD2 3.82Å; V124-L126 HydrophobicContact CG1-CG 4.35Å; V124-W236 HydrophobicContact CB-CH2 3.89Å; V124-W236 HydrophobicContact CB-CZ3 4.48Å; V124-W236 HydrophobicContact CG1-CH2 4.07Å; V124-W236 HydrophobicContact CG1-CZ3 4.16Å; V124-W236 HydrophobicContact CG2-CH2 3.86Å; V124-L240 HydrophobicContact CG2-CD2 4.5Å; V124-L243 HydrophobicContact CG1-CD1 3.98Å; V124-L243 HydrophobicContact CG2-CD1 3.79Å |
| 125 | D | 96.1 | Very high | 93.1 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.3 | 168.8 | -169.8 | 6.7 | 0 | 0 | 0 | 110.6 | R78 V80 S114 R116 L127 | R78-D125 PolarHBondContact O-N 3.39Å; V80-D125 PolarHBondContact N-O 2.9Å; S114-D125 PolarHBondContact OG-OD1 3.34Å; R116-D125 HydrophobicContact CG-CB 4.21Å; D125-L127 PolarHBondContact O-N 2.84Å |
| 126 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 102.6 | 173 | -59.9 | -177.1 | 0 | 0 | 0 | 109.7 | V80 L94 L97 S114 V115 L117 V124 W236 | V80-L126 HydrophobicContact CB-CD2 3.65Å; V80-L126 HydrophobicContact CG1-CD2 3.9Å; V80-L126 HydrophobicContact CG2-CD2 4.09Å; L94-L126 HydrophobicContact CD2-CB 4.32Å; L94-L126 HydrophobicContact CG-CB 4.2Å; L94-L126 HydrophobicContact CG-CD1 4.46Å; L97-L126 HydrophobicContact CB-CD1 4.12Å; L97-L126 HydrophobicContact CD1-CD1 3.67Å; S114-L126 VanDerWaalsContact CA-O 3.26Å; S114-L126 WeakPolarHBondContact CA-O 3.45Å; V115-L126 PolarHBondContact N-O 2.75Å; V115-L126 WeakPolarHBondContact O-CB 3.17Å; V115-L126 PolarHBondContact O-N 3.31Å; L117-L126 HydrophobicContact CD1-CD1 3.59Å; L117-L126 HydrophobicContact CD1-CG 4.18Å; L117-L126 HydrophobicContact CG-CD1 4.45Å; V124-L126 HydrophobicContact CG1-CD2 3.82Å; V124-L126 HydrophobicContact CG1-CG 4.35Å; L126-W236 HydrophobicContact CD2-CZ3 4.43Å |
| 127 | L | 96.6 | Very high | 93 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 108 | 178 | -179.6 | 62.3 | 0 | 0 | 0 | 111.6 | V80 L81 V82 F112 D125 I129 F142 | V80-L127 PolarHBondContact O-N 3.31Å; L81-L127 HydrophobicContact CD1-CB 4.3Å; L81-L127 HydrophobicContact CD1-CD2 3.97Å; L81-L127 HydrophobicContact CD1-CG 4.08Å; V82-L127 PolarHBondContact N-O 3.33Å; F112-L127 HydrophobicContact CB-CD1 4.35Å; F112-L127 HydrophobicContact CD2-CD1 4.07Å; D125-L127 PolarHBondContact O-N 2.84Å; L127-I129 HydrophobicContact CD1-CD1 4.19Å; L127-I129 HydrophobicContact CD2-CD1 4.25Å; L127-I129 HydrophobicContact CG-CD1 4.02Å; L127-F142 HydrophobicContact CD2-CD1 3.99Å |
| 128 | E | 95.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.5 | 170.2 | 174.4 | -172.7 | -166.1 | 0 | 0 | 111.5 | V82 K90 S91 L94 F112 N113 | V82-E128 HydrophobicContact CB-CB 4.43Å; V82-E128 WeakPolarHBondContact O-CA 3.24Å; K90-E128 HydrophobicContact CB-CG 4.04Å; K90-E128 WeakPolarHBondContact CB-OE1 3.36Å; K90-E128 HydrophobicContact CD-CG 4.47Å; S91-E128 WeakPolarHBondContact CA-OE1 3.46Å; S91-E128 VanDerWaalsContact CA-OE2 3.23Å; S91-E128 WeakPolarHBondContact CA-OE2 3.26Å; S91-E128 WeakPolarHBondContact CB-OE2 3.4Å; S91-E128 PolarHBondContact N-OE1 3.38Å; S91-E128 VanDerWaalsContact OG-CD 3.32Å; S91-E128 PolarHBondContact OG-OE1 3.32Å; S91-E128 PolarHBondContact OG-OE2 3.05Å; L94-E128 HydrophobicContact CD1-CB 3.82Å; L94-E128 HydrophobicContact CD1-CG 4.45Å; L94-E128 HydrophobicContact CD2-CB 3.54Å; L94-E128 HydrophobicContact CG-CB 4.36Å; F112-E128 CarbonylContact C-O 3.6Å; F112-E128 WeakPolarHBondContact CA-O 3.13Å; F112-E128 VanDerWaalsContact CB-O 3.25Å; F112-E128 WeakPolarHBondContact CB-O 3.21Å; N113-E128 HydrophobicContact CB-CB 4.28Å; N113-E128 PolarHBondContact N-O 2.74Å; N113-E128 PolarHBondContact ND2-OE2 3.34Å; N113-E128 WeakPolarHBondContact O-CA 3.14Å; N113-E128 PolarHBondContact O-N 2.76Å |
| 129 | I | 95.6 | Very high | 93 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140.6 | 165.7 | -47 | -59.6 | 0 | 0 | 0 | 110.2 | L81 V82 L83 K90 F112 L127 F142 | L81-I129 HydrophobicContact CD1-CG1 4.1Å; V82-I129 PolarHBondContact O-N 3.14Å; L83-I129 HydrophobicContact CD2-CB 3.67Å; L83-I129 HydrophobicContact CD2-CG1 3.81Å; K90-I129 WeakPolarHBondContact CE-O 3.45Å; F112-I129 HydrophobicContact CB-CD1 3.58Å; L127-I129 HydrophobicContact CD1-CD1 4.19Å; L127-I129 HydrophobicContact CD2-CD1 4.25Å; L127-I129 HydrophobicContact CG-CD1 4.02Å; I129-F142 HydrophobicContact CD1-CD1 3.97Å; I129-F142 HydrophobicContact CD1-CD2 4.11Å; I129-F142 HydrophobicContact CD1-CE1 3.88Å; I129-F142 HydrophobicContact CD1-CE2 4.03Å; I129-F142 HydrophobicContact CD1-CG 4.08Å; I129-F142 HydrophobicContact CD1-CZ 3.92Å; I129-F142 HydrophobicContact CG1-CD2 4.03Å; I129-F142 HydrophobicContact CG1-CE2 4.3Å; I129-F142 HydrophobicContact CG1-CG 4.17Å |
| 130 | G | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -55.8 | 141.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G111 L135 W139 | G111-G130 PolarHBondContact O-N 2.96Å; G130-L135 VanDerWaalsContact O-CB 3.31Å; G130-L135 WeakPolarHBondContact O-CB 3.5Å; G130-W139 PolarHBondContact O-NE1 3.39Å | ||
| 131 | G | 94.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | trans | -104.2 | 9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | G84 D86 R136 | G84-G131 WeakPolarHBondContact O-CA 3.49Å; D86-G131 PolarHBondContact N-O 3.18Å; D86-G131 VanDerWaalsContact N-O 3.09Å; G131-R136 PolarHBondContact O-NE 3.45Å; G131-R136 PolarHBondContact O-NH2 2.87Å | ||
| 132 | S | 93.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -65 | 151.5 | 174.2 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | N134 L135 R136 | S132-N134 PolarHBondContact O-N 3.34Å; S132-L135 PolarHBondContact O-N 3.15Å; S132-L135 WeakPolarHBondContact OG-CG 3.4Å; S132-R136 WeakPolarHBondContact O-CG 3.5Å; S132-R136 PolarHBondContact O-N 3.23Å |
| 133 | Q | 91.8 | Very high | 93.1 | Very high | 151 Ų | 151 | 48.2 Ų | 48.2 | 71% | 0.706 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -51.1 | -38.3 | -174.1 | -172 | 176.7 | 6.9 | 0 | 0 | 113.8 | L135 | Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.31Å |
| 134 | N | 89.6 | Confident | 92.4 | Very high | 132 Ų | 132 | 49.1 Ų | 49.1 | 71% | 0.706 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -69.6 | -25.6 | -179.8 | -63.5 | -15 | 0 | 0 | 0 | 113.5 | S132 | S132-N134 PolarHBondContact O-N 3.34Å |
| 135 | L | 91.6 | Very high | 91.5 | Very high | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.183 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -88.7 | -26.6 | -179.4 | -65.8 | 177 | 0 | 0 | 0 | 112.7 | T109 G130 S132 Q133 F137 Y138 | T109-L135 WeakPolarHBondContact O-CD1 3.35Å; G130-L135 VanDerWaalsContact O-CB 3.31Å; G130-L135 WeakPolarHBondContact O-CB 3.5Å; S132-L135 PolarHBondContact O-N 3.15Å; S132-L135 WeakPolarHBondContact OG-CG 3.4Å; Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.31Å; L135-F137 PolarHBondContact O-N 3.5Å; L135-F137 VanDerWaalsContact O-N 3.14Å; L135-Y138 PolarHBondContact O-N 2.99Å |
| 136 | R | 94.2 | Very high | 91.4 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.1 | -30.9 | -179.3 | -63.1 | 173.3 | -156.6 | 168.6 | 4 | 113.1 | D86 G131 S132 Y138 W139 | D86-R136 IonicContact OD1-CZ 3.44Å; D86-R136 IonicContact OD1-NH2 3.33Å; D86-R136 PolarHBondContact OD1-NH2 2.97Å; G131-R136 PolarHBondContact O-NE 3.45Å; G131-R136 PolarHBondContact O-NH2 2.87Å; S132-R136 WeakPolarHBondContact O-CG 3.5Å; S132-R136 PolarHBondContact O-N 3.23Å; R136-Y138 PolarHBondContact O-N 3.32Å; R136-W139 HydrophobicContact CB-CD2 4.2Å; R136-W139 HydrophobicContact CB-CE3 4.31Å; R136-W139 HydrophobicContact CG-CD2 4.26Å; R136-W139 HydrophobicContact CG-CE3 4.32Å; R136-W139 HydrophobicContact CG-CH2 3.9Å; R136-W139 HydrophobicContact CG-CZ2 3.83Å; R136-W139 HydrophobicContact CG-CZ3 4.15Å; R136-W139 WeakPolarHBondContact O-CB 3.46Å; R136-W139 PolarHBondContact O-N 2.97Å; R136-W139 VanDerWaalsContact O-N 3.17Å |
| 137 | F | 90.3 | Very high | 91.4 | Very high | 135 Ų | 135 | 57.8 Ų | 57.8 | 59% | 0.592 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.5 | 176.1 | -179.6 | -96.6 | 0 | 0 | 0 | 113.1 | L135 K140 | L135-F137 PolarHBondContact O-N 3.5Å; L135-F137 VanDerWaalsContact O-N 3.14Å; F137-K140 WeakPolarHBondContact O-CE 3.47Å |
| 138 | Y | 89.9 | Confident | 91.4 | Very high | 125 Ų | 125 | 56.7 Ų | 56.7 | 49% | 0.49 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -11.6 | -177.5 | -59.2 | -75 | 0 | 0 | 0 | 113.7 | L135 R136 K140 E141 F142 | L135-Y138 PolarHBondContact O-N 2.99Å; R136-Y138 PolarHBondContact O-N 3.32Å; Y138-K140 VanDerWaalsContact C-N 3.27Å; Y138-K140 PolarHBondContact O-N 3Å; Y138-E141 WeakPolarHBondContact O-CB 3.45Å; Y138-E141 WeakPolarHBondContact O-CG 3.28Å; Y138-E141 PolarHBondContact O-N 3.49Å; Y138-F142 VanDerWaalsContact O-CD2 3.25Å; Y138-F142 WeakPolarHBondContact O-CD2 3.19Å |
| 139 | W | 94.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -55.5 | -40.7 | -174.6 | -72.6 | -5.1 | 0 | 0 | 0 | 113.4 | L83 G84 L85 G130 R136 E141 F142 F151 E167 L171 | L83-W139 HydrophobicContact CB-CD2 4.45Å; L83-W139 HydrophobicContact CB-CE3 4.48Å; L83-W139 HydrophobicContact CB-CZ2 4.45Å; L83-W139 HydrophobicContact CD1-CB 3.9Å; L83-W139 HydrophobicContact CD1-CD2 4.1Å; L83-W139 HydrophobicContact CD1-CE3 4.28Å; L83-W139 HydrophobicContact CD1-CG 4.01Å; L83-W139 HydrophobicContact CD2-CB 4.48Å; L83-W139 HydrophobicContact CD2-CD2 4.08Å; L83-W139 HydrophobicContact CD2-CG 3.92Å; L83-W139 HydrophobicContact CG-CD2 4.45Å; G84-W139 VanDerWaalsContact C-CH2 3.42Å; G84-W139 VanDerWaalsContact O-CH2 3.32Å; G84-W139 WeakPolarHBondContact O-CH2 3.31Å; G84-W139 VanDerWaalsContact O-CZ2 3.25Å; G84-W139 WeakPolarHBondContact O-CZ2 3.36Å; L85-W139 HydrophobicContact CD2-CH2 4.44Å; G130-W139 PolarHBondContact O-NE1 3.39Å; R136-W139 HydrophobicContact CB-CD2 4.2Å; R136-W139 HydrophobicContact CB-CE3 4.31Å; R136-W139 HydrophobicContact CG-CD2 4.26Å; R136-W139 HydrophobicContact CG-CE3 4.32Å; R136-W139 HydrophobicContact CG-CH2 3.9Å; R136-W139 HydrophobicContact CG-CZ2 3.83Å; R136-W139 HydrophobicContact CG-CZ3 4.15Å; R136-W139 WeakPolarHBondContact O-CB 3.46Å; R136-W139 PolarHBondContact O-N 2.97Å; R136-W139 VanDerWaalsContact O-N 3.17Å; W139-E141 PolarHBondContact O-N 3.29Å; W139-E141 VanDerWaalsContact O-N 3.11Å; W139-F142 PolarHBondContact O-N 2.89Å; W139-F151 HydrophobicContact CH2-CE2 4.46Å; W139-F151 AromaticContact CZ3-CE2 3.97Å; W139-F151 HydrophobicContact CZ3-CE2 3.97Å; W139-E167 HydrophobicContact CE3-CB 4.34Å; W139-E167 HydrophobicContact CZ3-CB 3.79Å; W139-E167 HydrophobicContact CZ3-CG 4.24Å; W139-L171 HydrophobicContact CB-CD2 3.7Å; W139-L171 HydrophobicContact CE3-CD1 3.92Å; W139-L171 HydrophobicContact CE3-CD2 4.5Å; W139-L171 HydrophobicContact CZ3-CD1 4.39Å |
| 140 | K | 91.4 | Very high | 91.7 | Very high | 89 Ų | 89 | 56.5 Ų | 56.5 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -59 | -21.7 | 178 | 64.7 | 178.9 | 178.1 | 165.7 | 0 | 114.6 | F137 Y138 F142 | F137-K140 WeakPolarHBondContact O-CE 3.47Å; Y138-K140 VanDerWaalsContact C-N 3.27Å; Y138-K140 PolarHBondContact O-N 3Å; K140-F142 VanDerWaalsContact C-N 3.27Å |
| 141 | E | 89.7 | Confident | 91.9 | Very high | 116 Ų | 116 | 56.5 Ų | 56.5 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -76 | -20.8 | 178.4 | -52.5 | -57 | 149.9 | 0 | 0 | 111.3 | Y138 W139 | Y138-E141 WeakPolarHBondContact O-CB 3.45Å; Y138-E141 WeakPolarHBondContact O-CG 3.28Å; Y138-E141 PolarHBondContact O-N 3.49Å; W139-E141 PolarHBondContact O-N 3.29Å; W139-E141 VanDerWaalsContact O-N 3.11Å |
| 142 | F | 90.8 | Very high | 92.1 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 23% | 0.228 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -100.2 | -6.6 | -179.4 | -59.3 | -87.1 | 0 | 0 | 0 | 113.7 | L81 L127 I129 Y138 W139 K140 N144 V146 | L81-F142 HydrophobicContact CD1-CB 3.77Å; L81-F142 HydrophobicContact CD2-CB 3.93Å; L81-F142 WeakPolarHBondContact CD2-O 3.49Å; L127-F142 HydrophobicContact CD2-CD1 3.99Å; I129-F142 HydrophobicContact CD1-CD1 3.97Å; I129-F142 HydrophobicContact CD1-CD2 4.11Å; I129-F142 HydrophobicContact CD1-CE1 3.88Å; I129-F142 HydrophobicContact CD1-CE2 4.03Å; I129-F142 HydrophobicContact CD1-CG 4.08Å; I129-F142 HydrophobicContact CD1-CZ 3.92Å; I129-F142 HydrophobicContact CG1-CD2 4.03Å; I129-F142 HydrophobicContact CG1-CE2 4.3Å; I129-F142 HydrophobicContact CG1-CG 4.17Å; Y138-F142 VanDerWaalsContact O-CD2 3.25Å; Y138-F142 WeakPolarHBondContact O-CD2 3.19Å; W139-F142 PolarHBondContact O-N 2.89Å; K140-F142 VanDerWaalsContact C-N 3.27Å; F142-N144 VanDerWaalsContact C-N 3.35Å; F142-V146 WeakPolarHBondContact O-CG1 3.31Å |
| 143 | V | 88.8 | Confident | 92.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -75.5 | -27 | -178.5 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | L81 L171 K174 D175 L178 | L81-V143 HydrophobicContact CD2-CG2 4.14Å; V143-L171 HydrophobicContact CG2-CB 4.34Å; V143-L171 HydrophobicContact CG2-CD2 3.57Å; V143-L171 HydrophobicContact CG2-CG 4.5Å; V143-K174 HydrophobicContact CB-CG 4.41Å; V143-K174 HydrophobicContact CG1-CB 4.35Å; V143-K174 HydrophobicContact CG1-CG 4.25Å; V143-D175 HydrophobicContact CG1-CB 4.06Å; V143-L178 HydrophobicContact CG1-CD2 3.74Å |
| 144 | N | 79.6 | Confident | 92.6 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 33% | 0.326 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 139 | 173.7 | -39.6 | -75.1 | 0 | 0 | 0 | 107.3 | F142 K174 | F142-N144 VanDerWaalsContact C-N 3.35Å; N144-K174 WeakPolarHBondContact OD1-CE 3.35Å |
| 145 | E | 77 | Confident | 93 | Very high | 143 Ų | 143 | 42.3 Ų | 42.3 | 67% | 0.668 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 11.5 | 176.9 | -47.1 | 173.4 | -175.3 | 0 | 0 | 116.1 | ||
| 146 | V | 94.6 | Very high | 93.3 | Very high | 16 Ų | 16 | 41.8 Ų | 41.8 | 10% | 0.097 | 20% | 0.195 | C | C | . | . | trans | -109.4 | 148.8 | 173.8 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | E79 L81 F142 L178 | E79-V146 HydrophobicContact CB-CB 4.29Å; E79-V146 HydrophobicContact CB-CG1 4.16Å; L81-V146 HydrophobicContact CB-CB 4.26Å; L81-V146 HydrophobicContact CB-CG1 4.08Å; L81-V146 HydrophobicContact CB-CG2 3.97Å; F142-V146 WeakPolarHBondContact O-CG1 3.31Å; V146-L178 HydrophobicContact CG2-CD1 3.98Å; V146-L178 HydrophobicContact CG2-CD2 4.03Å; V146-L178 VanDerWaalsContact O-CD1 3.31Å; V146-L178 WeakPolarHBondContact O-CD1 3.2Å | ||
| 147 | D | 96.3 | Very high | 93.4 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -81.9 | -35.6 | -178.7 | -61.2 | -79.6 | 0 | 0 | 0 | 111.7 | R78 E79 P179 L243 | R78-D147 VanDerWaalsContact CA-OD2 3.27Å; R78-D147 WeakPolarHBondContact CA-OD2 2.84Å; R78-D147 IonicContact NH1-OD1 3.52Å; E79-D147 PolarHBondContact N-OD2 3.14Å; E79-D147 PolarHBondContact O-N 2.99Å; D147-P179 WeakPolarHBondContact O-CD 3.47Å; D147-L243 HydrophobicContact CB-CD2 3.42Å; D147-L243 VanDerWaalsContact CB-CD2 3.42Å |
| 148 | V | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.2 | -178.9 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | E79 V80 L81 V181 L239 L242 L243 | E79-V148 PolarHBondContact O-N 3.05Å; V80-V148 WeakPolarHBondContact CA-O 3.26Å; V80-V148 HydrophobicContact CG2-CB 4.47Å; L81-V148 PolarHBondContact N-O 3.06Å; V148-V181 HydrophobicContact CG1-CG2 4.15Å; V148-L239 HydrophobicContact CB-CD2 4.44Å; V148-L239 HydrophobicContact CG1-CD2 3.79Å; V148-L242 HydrophobicContact CG1-CD1 4.27Å; V148-L242 HydrophobicContact CG2-CB 3.87Å; V148-L242 HydrophobicContact CG2-CD1 4.37Å; V148-L243 HydrophobicContact CG2-CD2 3.71Å; V148-L243 HydrophobicContact CG2-CG 4.34Å |
| 149 | L | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119 | 168.1 | 173.8 | 58.7 | 0 | 0 | 0 | 111.2 | L81 L83 L171 L178 P179 V180 V181 | L81-L149 HydrophobicContact CB-CD1 4.28Å; L81-L149 HydrophobicContact CD2-CD1 4.26Å; L81-L149 HydrophobicContact CG-CD1 4.38Å; L83-L149 HydrophobicContact CB-CD1 4.13Å; L83-L149 HydrophobicContact CD1-CD1 3.92Å; L83-L149 HydrophobicContact CG-CD1 3.96Å; L149-L171 HydrophobicContact CD2-CB 4.28Å; L149-L171 HydrophobicContact CD2-CD1 4.38Å; L149-L178 HydrophobicContact CB-CD2 3.81Å; L149-L178 HydrophobicContact CB-CG 4.19Å; L149-P179 PolarHBondContact N-O 3.29Å; L149-V180 HydrophobicContact CB-CG2 4.06Å; L149-V180 HydrophobicContact CD2-CG2 4.17Å; L149-V180 HydrophobicContact CG-CG1 4.49Å; L149-V180 HydrophobicContact CG-CG2 4.42Å; L149-V180 CarbonylContact O-C 3.32Å; L149-V180 WeakPolarHBondContact O-CA 3.47Å; L149-V181 PolarHBondContact O-N 2.96Å |
| 150 | V | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.9 | 164.2 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | V80 L81 V82 L83 F93 V152 V181 V183 L239 | V80-V150 HydrophobicContact CG1-CB 4.41Å; V80-V150 HydrophobicContact CG1-CG2 3.59Å; L81-V150 PolarHBondContact O-N 2.83Å; V82-V150 WeakPolarHBondContact CA-O 3.41Å; V82-V150 HydrophobicContact CG1-CG1 4.35Å; V82-V150 HydrophobicContact CG2-CB 4.26Å; L83-V150 PolarHBondContact N-O 3.39Å; F93-V150 HydrophobicContact CE1-CG1 3.92Å; F93-V150 HydrophobicContact CZ-CG1 4.22Å; V150-V152 HydrophobicContact CG1-CG2 4.05Å; V150-V181 CarbonylContact C-O 3.42Å; V150-V181 WeakPolarHBondContact CA-O 3.47Å; V150-V181 HydrophobicContact CG2-CB 4.36Å; V150-V183 HydrophobicContact CG1-CG2 3.79Å; V150-L239 HydrophobicContact CG2-CD1 4.21Å; V150-L239 HydrophobicContact CG2-CD2 3.72Å |
| 151 | F | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 106.1 | 176.4 | -164.3 | -94.6 | 0 | 0 | 0 | 111.1 | L83 W139 V153 A164 L168 L171 V181 V182 V183 | L83-F151 HydrophobicContact CB-CD2 4.07Å; L83-F151 HydrophobicContact CB-CE2 4.42Å; L83-F151 WeakPolarHBondContact O-CA 3.38Å; W139-F151 HydrophobicContact CH2-CE2 4.46Å; W139-F151 AromaticContact CZ3-CE2 3.97Å; W139-F151 HydrophobicContact CZ3-CE2 3.97Å; F151-V153 HydrophobicContact CD1-CG2 3.63Å; F151-V153 HydrophobicContact CE1-CG2 3.73Å; F151-A164 HydrophobicContact CE1-CB 4.22Å; F151-A164 WeakPolarHBondContact CZ-O 3.49Å; F151-L168 HydrophobicContact CB-CD1 4.03Å; F151-L168 HydrophobicContact CD1-CB 4.23Å; F151-L168 HydrophobicContact CD1-CD1 4.17Å; F151-L168 HydrophobicContact CD1-CD2 4.35Å; F151-L168 HydrophobicContact CD1-CG 4.48Å; F151-L168 HydrophobicContact CD2-CB 4.5Å; F151-L168 HydrophobicContact CD2-CD1 4.06Å; F151-L168 HydrophobicContact CE1-CB 3.93Å; F151-L168 HydrophobicContact CE2-CB 4.22Å; F151-L168 HydrophobicContact CG-CD1 3.83Å; F151-L168 HydrophobicContact CZ-CB 3.92Å; F151-L171 HydrophobicContact CD2-CD1 4.13Å; F151-L171 HydrophobicContact CE2-CD1 3.97Å; F151-V181 PolarHBondContact N-O 3.32Å; F151-V182 WeakPolarHBondContact O-CA 3.47Å; F151-V183 PolarHBondContact O-N 2.9Å |
| 152 | V | 98.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.9 | -177.2 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | V82 L83 G84 A88 K90 V150 V183 N185 | V82-V152 HydrophobicContact CG1-CG2 3.96Å; L83-V152 PolarHBondContact O-N 2.95Å; G84-V152 WeakPolarHBondContact CA-O 3.44Å; A88-V152 HydrophobicContact CB-CB 4.4Å; A88-V152 HydrophobicContact CB-CG1 4.17Å; A88-V152 WeakPolarHBondContact CB-O 3.4Å; K90-V152 HydrophobicContact CG-CB 3.93Å; K90-V152 HydrophobicContact CG-CG2 3.97Å; V150-V152 HydrophobicContact CG1-CG2 4.05Å; V152-V183 HydrophobicContact CG1-CB 4.48Å; V152-V183 HydrophobicContact CG2-CB 4.36Å; V152-N185 HydrophobicContact CG1-CB 3.96Å |
| 153 | V | 98.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.6 | -179.6 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | F151 S155 L161 V182 V183 N185 L198 L202 | F151-V153 HydrophobicContact CD1-CG2 3.63Å; F151-V153 HydrophobicContact CE1-CG2 3.73Å; V153-S155 PolarHBondContact O-N 3.18Å; V153-L161 HydrophobicContact CG1-CD1 3.36Å; V153-V182 HydrophobicContact CG2-CG1 4.07Å; V153-V183 PolarHBondContact N-O 3.36Å; V153-N185 WeakPolarHBondContact O-CB 3.49Å; V153-N185 PolarHBondContact O-N 2.99Å; V153-L198 HydrophobicContact CG1-CD2 4.46Å; V153-L202 HydrophobicContact CG2-CD1 4.2Å; V153-L202 HydrophobicContact CG2-CD2 4.38Å |
| 154 | D | 97.4 | Very high | 95.7 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 108.4 | 166.8 | -172.2 | -23.2 | 0 | 0 | 0 | 109.2 | A156 D157 K186 | D154-A156 PolarHBondContact O-N 3.21Å; D154-A156 PolarHBondContact OD1-N 2.98Å; D154-D157 HydrophobicContact CB-CB 3.85Å; D154-D157 PolarHBondContact O-N 2.74Å; D154-D157 PolarHBondContact OD1-N 3.45Å; D154-K186 WeakPolarHBondContact OD1-CD 3.48Å; D154-K186 VanDerWaalsContact OD2-CE 3.28Å; D154-K186 WeakPolarHBondContact OD2-CE 3.11Å; D154-K186 IonicContact OD2-NZ 3.9Å; D154-K186 PolarHBondContact OD2-NZ 3.33Å |
| 155 | S | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.2 | -176.8 | -52.1 | 0 | 0 | 0 | 0 | 113.3 | V153 A184 N185 Q187 A192 M193 | V153-S155 PolarHBondContact O-N 3.18Å; S155-A184 WeakPolarHBondContact OG-CA 3.15Å; S155-A184 WeakPolarHBondContact OG-CB 3.42Å; S155-A184 PolarHBondContact OG-O 2.79Å; S155-N185 WeakPolarHBondContact CB-O 3.46Å; S155-N185 PolarHBondContact N-O 3.19Å; S155-N185 PolarHBondContact OG-N 3.11Å; S155-N185 PolarHBondContact OG-O 3.3Å; S155-Q187 PolarHBondContact OG-NE2 2.99Å; S155-A192 WeakPolarHBondContact O-CA 3.25Å; S155-M193 WeakPolarHBondContact O-CE 3.37Å; S155-M193 PolarHBondContact O-N 3.02Å |
| 156 | A | 97 | Very high | 97.6 | Very high | 23 Ų | 23 | 44 Ų | 44 | 19% | 0.19 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -16.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D154 R158 L189 E191 | D154-A156 PolarHBondContact O-N 3.21Å; D154-A156 PolarHBondContact OD1-N 2.98Å; A156-R158 PolarHBondContact O-N 3.4Å; A156-R158 VanDerWaalsContact O-N 3.11Å; A156-L189 HydrophobicContact CB-CB 4.08Å; A156-L189 HydrophobicContact CB-CD1 3.65Å; A156-L189 HydrophobicContact CB-CG 4.5Å; A156-E191 HydrophobicContact CB-CB 4.18Å |
| 157 | D | 97.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | trans | -90.3 | 73.1 | -175.9 | -161.4 | -27.6 | 0 | 0 | 0 | 112.9 | D154 L159 R160 L161 | D154-D157 HydrophobicContact CB-CB 3.85Å; D154-D157 PolarHBondContact O-N 2.74Å; D154-D157 PolarHBondContact OD1-N 3.45Å; D157-L159 PolarHBondContact O-N 2.84Å; D157-L159 PolarHBondContact OD1-N 2.91Å; D157-R160 PolarHBondContact O-N 3.08Å; D157-R160 WeakPolarHBondContact OD1-CB 3.37Å; D157-R160 PolarHBondContact OD1-N 2.84Å; D157-R160 IonicContact OD1-NE 2.73Å; D157-R160 IonicContact OD2-CZ 2.66Å; D157-R160 IonicContact OD2-NE 3.9Å; D157-R160 PolarHBondContact OD2-NE 2.83Å; D157-R160 IonicContact OD2-NH2 3.24Å; D157-R160 PolarHBondContact OD2-NH2 3.25Å; D157-L161 PolarHBondContact O-N 3.25Å; D157-L161 VanDerWaalsContact O-N 3.16Å | ||
| 158 | R | 97.3 | Very high | 97.7 | Very high | 121 Ų | 121 | 41.8 Ų | 41.8 | 46% | 0.457 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32 | 178.5 | -62.8 | -172.8 | 176.5 | -111.3 | 1.9 | 113 | A156 M193 E197 | A156-R158 PolarHBondContact O-N 3.4Å; A156-R158 VanDerWaalsContact O-N 3.11Å; R158-M193 HydrophobicContact CB-CE 4.4Å; R158-M193 HydrophobicContact CG-CE 3.74Å; R158-M193 HydrophobicContact CG-CG 3.96Å; R158-M193 HydrophobicContact CG-SD 3.75Å; R158-E197 IonicContact CZ-OE1 3.88Å; R158-E197 IonicContact NH1-OE1 2.76Å; R158-E197 PolarHBondContact NH1-OE1 2.92Å; R158-E197 IonicContact NH2-OE1 3.96Å; R158-E197 PolarHBondContact NH2-OE1 3.48Å; R158-E197 IonicContact NH2-OE2 3.3Å; R158-E197 PolarHBondContact NH2-OE2 3.33Å |
| 159 | L | 97.6 | Very high | 97.6 | Very high | 154 Ų | 154 | 43.7 Ų | 43.7 | 81% | 0.806 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -36.9 | -177.9 | -67.1 | 177 | 0 | 0 | 0 | 112.1 | D157 | D157-L159 PolarHBondContact O-N 2.84Å; D157-L159 PolarHBondContact OD1-N 2.91Å |
| 160 | R | 97.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 48.4 Ų | 48.4 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -9.6 | -179.7 | -66.1 | -167.2 | -66.1 | 149.6 | 12.5 | 114.5 | L85 D86 D157 W163 A164 | L85-R160 HydrophobicContact CD1-CB 3.91Å; D86-R160 PolarHBondContact O-NH1 2.87Å; D86-R160 PolarHBondContact O-NH2 3.03Å; D86-R160 IonicContact OD1-NH1 2.72Å; D86-R160 IonicContact OD2-NH1 3.86Å; D86-R160 PolarHBondContact OD2-NH1 2.76Å; D157-R160 PolarHBondContact O-N 3.08Å; D157-R160 WeakPolarHBondContact OD1-CB 3.37Å; D157-R160 PolarHBondContact OD1-N 2.84Å; D157-R160 IonicContact OD1-NE 2.73Å; D157-R160 IonicContact OD2-CZ 2.66Å; D157-R160 IonicContact OD2-NE 3.9Å; D157-R160 PolarHBondContact OD2-NE 2.83Å; D157-R160 IonicContact OD2-NH2 3.24Å; D157-R160 PolarHBondContact OD2-NH2 3.25Å; R160-W163 WeakPolarHBondContact O-CB 3.35Å; R160-W163 PolarHBondContact O-N 3.49Å; R160-A164 PolarHBondContact O-N 3.44Å; R160-A164 VanDerWaalsContact O-N 3.08Å |
| 161 | L | 97.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.4 | -40.1 | -179.9 | -164.3 | 70.9 | 0 | 0 | 0 | 114.7 | V153 D157 W163 A164 R165 M193 L198 E201 L202 | V153-L161 HydrophobicContact CG1-CD1 3.36Å; D157-L161 PolarHBondContact O-N 3.25Å; D157-L161 VanDerWaalsContact O-N 3.16Å; L161-W163 PolarHBondContact O-N 2.86Å; L161-A164 HydrophobicContact CD1-CB 4.47Å; L161-A164 WeakPolarHBondContact O-CB 3.32Å; L161-A164 PolarHBondContact O-N 3.4Å; L161-A164 VanDerWaalsContact O-N 3.08Å; L161-R165 PolarHBondContact O-N 3Å; L161-M193 HydrophobicContact CB-CE 4.35Å; L161-M193 HydrophobicContact CD1-CE 4.31Å; L161-M193 HydrophobicContact CD2-CE 3.66Å; L161-M193 HydrophobicContact CD2-SD 3.53Å; L161-M193 VanDerWaalsContact CD2-SD 3.53Å; L161-M193 HydrophobicContact CG-CE 4.35Å; L161-L198 HydrophobicContact CD1-CD2 4.03Å; L161-L198 HydrophobicContact CD2-CD2 4.05Å; L161-E201 HydrophobicContact CD2-CB 3.32Å; L161-E201 HydrophobicContact CD2-CG 3.98Å; L161-E201 HydrophobicContact CG-CB 4.38Å; L161-L202 HydrophobicContact CD1-CD2 3.65Å; L161-L202 HydrophobicContact CD1-CG 4.11Å; L161-L202 HydrophobicContact CG-CD2 4.16Å |
| 162 | P | 98.1 | Very high | 96.8 | Very high | 79 Ų | 79 | 49 Ų | 49 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.3 | -34.3 | 175.5 | -25.7 | 36.2 | 0 | 0 | 0 | 113.3 | Q166 | P162-Q166 PolarHBondContact O-N 2.85Å |
| 163 | W | 97.9 | Very high | 96.4 | Very high | 144 Ų | 144 | 55.4 Ų | 55.4 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.5 | -40.5 | 174.1 | -57.1 | 103 | 0 | 0 | 0 | 111.2 | L85 R160 L161 R165 Q166 E167 | L85-W163 HydrophobicContact CD1-CB 4.22Å; R160-W163 WeakPolarHBondContact O-CB 3.35Å; R160-W163 PolarHBondContact O-N 3.49Å; L161-W163 PolarHBondContact O-N 2.86Å; W163-R165 VanDerWaalsContact C-N 3.35Å; W163-R165 PolarHBondContact O-N 3.35Å; W163-Q166 PolarHBondContact O-N 3.3Å; W163-E167 WeakPolarHBondContact O-CG 3.25Å; W163-E167 PolarHBondContact O-N 2.88Å |
| 164 | A | 98.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.033 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L85 F151 R160 L161 E167 L168 | L85-A164 HydrophobicContact CD1-CB 3.82Å; L85-A164 HydrophobicContact CG-CB 3.98Å; F151-A164 HydrophobicContact CE1-CB 4.22Å; F151-A164 WeakPolarHBondContact CZ-O 3.49Å; R160-A164 PolarHBondContact O-N 3.44Å; R160-A164 VanDerWaalsContact O-N 3.08Å; L161-A164 HydrophobicContact CD1-CB 4.47Å; L161-A164 WeakPolarHBondContact O-CB 3.32Å; L161-A164 PolarHBondContact O-N 3.4Å; L161-A164 VanDerWaalsContact O-N 3.08Å; A164-E167 PolarHBondContact O-N 2.61Å; A164-L168 WeakPolarHBondContact O-CB 3.25Å; A164-L168 PolarHBondContact O-N 2.82Å |
| 165 | R | 97.9 | Very high | 95.5 | Very high | 103 Ų | 103 | 61.4 Ų | 61.4 | 39% | 0.389 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.8 | -51.5 | 172.5 | 179.3 | -161.5 | -179 | 137 | -9.9 | 111.2 | L161 W163 E167 L168 H169 E201 L202 | L161-R165 PolarHBondContact O-N 3Å; W163-R165 VanDerWaalsContact C-N 3.35Å; W163-R165 PolarHBondContact O-N 3.35Å; R165-E167 VanDerWaalsContact C-N 3.31Å; R165-E167 PolarHBondContact O-N 3.34Å; R165-L168 PolarHBondContact O-N 3.04Å; R165-H169 PolarHBondContact O-CD2 2.92Å; R165-H169 PolarHBondContact O-N 3.3Å; R165-E201 VanDerWaalsContact CD-O 3.26Å; R165-E201 WeakPolarHBondContact CD-O 3.23Å; R165-E201 PolarHBondContact NH1-O 3.19Å; R165-L202 HydrophobicContact CB-CD2 4.27Å |
| 166 | Q | 97.1 | Very high | 94.9 | Very high | 91 Ų | 91 | 65.3 Ų | 65.3 | 43% | 0.425 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | -177.7 | 179.3 | -179.2 | 90.1 | 0 | 0 | 111.3 | P162 W163 K170 | P162-Q166 PolarHBondContact O-N 2.85Å; W163-Q166 PolarHBondContact O-N 3.3Å; Q166-K170 HydrophobicContact CG-CD 4.37Å; Q166-K170 VanDerWaalsContact O-CG 3.26Å; Q166-K170 WeakPolarHBondContact O-CG 3.39Å; Q166-K170 PolarHBondContact O-N 3.28Å; Q166-K170 VanDerWaalsContact O-N 3.15Å |
| 167 | E | 97.4 | Very high | 94.5 | Very high | 24 Ų | 24 | 69.4 Ų | 69.4 | 11% | 0.112 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 178.4 | -63.5 | -54.4 | 135.1 | 0 | 0 | 112.4 | L85 W139 W163 A164 R165 H169 K170 L171 | L85-E167 HydrophobicContact CD2-CG 4.43Å; W139-E167 HydrophobicContact CE3-CB 4.34Å; W139-E167 HydrophobicContact CZ3-CB 3.79Å; W139-E167 HydrophobicContact CZ3-CG 4.24Å; W163-E167 WeakPolarHBondContact O-CG 3.25Å; W163-E167 PolarHBondContact O-N 2.88Å; A164-E167 PolarHBondContact O-N 2.61Å; R165-E167 VanDerWaalsContact C-N 3.31Å; R165-E167 PolarHBondContact O-N 3.34Å; E167-H169 PolarHBondContact O-N 3.18Å; E167-K170 PolarHBondContact O-N 3.04Å; E167-K170 IonicContact OE1-NZ 3.5Å; E167-K170 PolarHBondContact OE1-NZ 3.26Å; E167-K170 IonicContact OE2-NZ 3.92Å; E167-L171 VanDerWaalsContact O-CG 3.28Å; E167-L171 WeakPolarHBondContact O-CG 3.33Å; E167-L171 PolarHBondContact O-N 2.72Å; E167-L171 VanDerWaalsContact O-N 3.14Å |
| 168 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.6 | -54.9 | 175.1 | 175.3 | 59.3 | 0 | 0 | 0 | 110.8 | F151 A164 R165 K170 L171 L172 V180 V182 L204 | F151-L168 HydrophobicContact CB-CD1 4.03Å; F151-L168 HydrophobicContact CD1-CB 4.23Å; F151-L168 HydrophobicContact CD1-CD1 4.17Å; F151-L168 HydrophobicContact CD1-CD2 4.35Å; F151-L168 HydrophobicContact CD1-CG 4.48Å; F151-L168 HydrophobicContact CD2-CB 4.5Å; F151-L168 HydrophobicContact CD2-CD1 4.06Å; F151-L168 HydrophobicContact CE1-CB 3.93Å; F151-L168 HydrophobicContact CE2-CB 4.22Å; F151-L168 HydrophobicContact CG-CD1 3.83Å; F151-L168 HydrophobicContact CZ-CB 3.92Å; A164-L168 WeakPolarHBondContact O-CB 3.25Å; A164-L168 PolarHBondContact O-N 2.82Å; R165-L168 PolarHBondContact O-N 3.04Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.04Å; L168-L171 WeakPolarHBondContact O-CB 3.49Å; L168-L171 PolarHBondContact O-N 3.11Å; L168-L172 HydrophobicContact CD1-CD1 4.02Å; L168-L172 HydrophobicContact CD1-CD2 4.16Å; L168-L172 HydrophobicContact CD1-CG 4.01Å; L168-L172 HydrophobicContact CG-CD1 3.95Å; L168-L172 HydrophobicContact CG-CG 4.31Å; L168-L172 WeakPolarHBondContact O-CG 3.35Å; L168-L172 PolarHBondContact O-N 3.16Å; L168-V180 HydrophobicContact CD1-CG1 4.27Å; L168-V182 HydrophobicContact CD2-CG2 4.19Å; L168-L204 HydrophobicContact CD2-CD2 3.73Å |
| 169 | H | 95 | Very high | 94.1 | Very high | 41 Ų | 41 | 63.6 Ų | 63.6 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.1 | -36.7 | -177.7 | -76.2 | -107.7 | 0 | 0 | 0 | 112.4 | R165 E167 L171 L172 D173 L202 | R165-H169 PolarHBondContact O-CD2 2.92Å; R165-H169 PolarHBondContact O-N 3.3Å; E167-H169 PolarHBondContact O-N 3.18Å; H169-L171 VanDerWaalsContact C-N 3.27Å; H169-L171 PolarHBondContact O-N 3.26Å; H169-L172 PolarHBondContact O-N 3.18Å; H169-D173 VanDerWaalsContact O-CG 3.27Å; H169-D173 PolarHBondContact O-N 3.24Å; H169-L202 PolarHBondContact NE2-O 3.49Å |
| 170 | K | 93.4 | Very high | 94 | Very high | 99 Ų | 99 | 56.3 Ų | 56.3 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 172.5 | -74.5 | 170.6 | -172.8 | 163.3 | 0 | 113.1 | Q166 E167 L168 | Q166-K170 HydrophobicContact CG-CD 4.37Å; Q166-K170 VanDerWaalsContact O-CG 3.26Å; Q166-K170 WeakPolarHBondContact O-CG 3.39Å; Q166-K170 PolarHBondContact O-N 3.28Å; Q166-K170 VanDerWaalsContact O-N 3.15Å; E167-K170 PolarHBondContact O-N 3.04Å; E167-K170 IonicContact OE1-NZ 3.5Å; E167-K170 PolarHBondContact OE1-NZ 3.26Å; E167-K170 IonicContact OE2-NZ 3.92Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.04Å |
| 171 | L | 93.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.7 | -40 | 178 | -62.1 | 164.2 | 0 | 0 | 0 | 110.8 | L83 W139 V143 L149 F151 E167 L168 H169 D173 K174 | L83-L171 HydrophobicContact CD1-CD1 3.55Å; L83-L171 HydrophobicContact CD1-CD2 3.96Å; L83-L171 HydrophobicContact CD1-CG 4.4Å; W139-L171 HydrophobicContact CB-CD2 3.7Å; W139-L171 HydrophobicContact CE3-CD1 3.92Å; W139-L171 HydrophobicContact CE3-CD2 4.5Å; W139-L171 HydrophobicContact CZ3-CD1 4.39Å; V143-L171 HydrophobicContact CG2-CB 4.34Å; V143-L171 HydrophobicContact CG2-CD2 3.57Å; V143-L171 HydrophobicContact CG2-CG 4.5Å; L149-L171 HydrophobicContact CD2-CB 4.28Å; L149-L171 HydrophobicContact CD2-CD1 4.38Å; F151-L171 HydrophobicContact CD2-CD1 4.13Å; F151-L171 HydrophobicContact CE2-CD1 3.97Å; E167-L171 VanDerWaalsContact O-CG 3.28Å; E167-L171 WeakPolarHBondContact O-CG 3.33Å; E167-L171 PolarHBondContact O-N 2.72Å; E167-L171 VanDerWaalsContact O-N 3.14Å; L168-L171 WeakPolarHBondContact O-CB 3.49Å; L168-L171 PolarHBondContact O-N 3.11Å; H169-L171 VanDerWaalsContact C-N 3.27Å; H169-L171 PolarHBondContact O-N 3.26Å; L171-D173 VanDerWaalsContact C-N 3.33Å; L171-D173 PolarHBondContact O-N 3.28Å; L171-K174 VanDerWaalsContact O-CB 3.29Å; L171-K174 WeakPolarHBondContact O-CB 3.28Å; L171-K174 PolarHBondContact O-N 3.24Å; L171-K174 VanDerWaalsContact O-N 3.15Å |
| 172 | L | 90.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -35 | 179 | -60.1 | -179.6 | 0 | 0 | 0 | 112.3 | L168 H169 K174 D175 V180 L207 R211 | L168-L172 HydrophobicContact CD1-CD1 4.02Å; L168-L172 HydrophobicContact CD1-CD2 4.16Å; L168-L172 HydrophobicContact CD1-CG 4.01Å; L168-L172 HydrophobicContact CG-CD1 3.95Å; L168-L172 HydrophobicContact CG-CG 4.31Å; L168-L172 WeakPolarHBondContact O-CG 3.35Å; L168-L172 PolarHBondContact O-N 3.16Å; H169-L172 PolarHBondContact O-N 3.18Å; L172-K174 PolarHBondContact O-N 3.08Å; L172-D175 CarbonylContact O-C 3.56Å; L172-D175 PolarHBondContact O-N 3.08Å; L172-D175 VanDerWaalsContact O-O 3.04Å; L172-V180 HydrophobicContact CD2-CB 4.2Å; L172-V180 HydrophobicContact CD2-CG1 4.33Å; L172-V180 HydrophobicContact CD2-CG2 3.22Å; L172-L207 HydrophobicContact CD1-CD1 3.6Å; L172-L207 HydrophobicContact CD1-CD2 3.51Å; L172-L207 HydrophobicContact CD1-CG 4.22Å; L172-R211 PolarHBondContact O-NH2 3.49Å |
| 173 | D | 90.1 | Very high | 94.1 | Very high | 137 Ų | 137 | 49 Ų | 49 | 73% | 0.733 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.3 | 175.3 | -71.6 | -17.9 | 0 | 0 | 0 | 113 | H169 L171 | H169-D173 VanDerWaalsContact O-CG 3.27Å; H169-D173 PolarHBondContact O-N 3.24Å; L171-D173 VanDerWaalsContact C-N 3.33Å; L171-D173 PolarHBondContact O-N 3.28Å |
| 174 | K | 89.3 | Confident | 94.1 | Very high | 107 Ų | 107 | 42.2 Ų | 42.2 | 47% | 0.465 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -39.5 | -176.6 | -179.5 | 57.9 | 179.5 | 162.5 | 0 | 112.6 | V143 N144 L171 L172 | V143-K174 HydrophobicContact CB-CG 4.41Å; V143-K174 HydrophobicContact CG1-CB 4.35Å; V143-K174 HydrophobicContact CG1-CG 4.25Å; N144-K174 WeakPolarHBondContact OD1-CE 3.35Å; L171-K174 VanDerWaalsContact O-CB 3.29Å; L171-K174 WeakPolarHBondContact O-CB 3.28Å; L171-K174 PolarHBondContact O-N 3.24Å; L171-K174 VanDerWaalsContact O-N 3.15Å; L172-K174 PolarHBondContact O-N 3.08Å |
| 175 | D | 87.5 | Confident | 94 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | trans | -134.9 | 106 | 177.3 | -171.1 | -34.6 | 0 | 0 | 0 | 108.4 | V143 L172 D177 L178 R211 | V143-D175 HydrophobicContact CG1-CB 4.06Å; L172-D175 CarbonylContact O-C 3.56Å; L172-D175 PolarHBondContact O-N 3.08Å; L172-D175 VanDerWaalsContact O-O 3.04Å; D175-D177 VanDerWaalsContact C-N 3.28Å; D175-D177 PolarHBondContact O-N 2.99Å; D175-D177 PolarHBondContact OD1-N 3.2Å; D175-L178 HydrophobicContact CB-CB 3.94Å; D175-L178 PolarHBondContact OD1-N 3.38Å; D175-R211 PolarHBondContact O-NH1 2.83Å; D175-R211 PolarHBondContact O-NH2 2.99Å | ||
| 176 | P | 85.2 | Confident | 93.8 | Very high | 82 Ų | 82 | 40.1 Ų | 40.1 | 53% | 0.532 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -67.4 | -26.3 | -177.1 | 27.4 | -33.2 | 0 | 0 | 0 | 113.4 | R211 | P176-R211 VanDerWaalsContact C-NH2 3.34Å; P176-R211 PolarHBondContact O-NE 2.66Å; P176-R211 VanDerWaalsContact O-NE 3.13Å; P176-R211 PolarHBondContact O-NH2 3.38Å; P176-R211 VanDerWaalsContact O-NH2 3.11Å |
| 177 | D | 88.6 | Confident | 93.6 | Very high | 109 Ų | 109 | 38.2 Ų | 38.2 | 58% | 0.583 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -98.1 | -20.2 | -168.4 | -59.9 | -40.9 | 0 | 0 | 0 | 112.1 | D175 P179 | D175-D177 VanDerWaalsContact C-N 3.28Å; D175-D177 PolarHBondContact O-N 2.99Å; D175-D177 PolarHBondContact OD1-N 3.2Å; D177-P179 VanDerWaalsContact O-CD 3.23Å; D177-P179 WeakPolarHBondContact O-CD 3.47Å |
| 178 | L | 91.9 | Very high | 93.3 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | trans | -56.5 | 116.2 | -179.4 | 179.6 | 62.6 | 0 | 0 | 0 | 112.8 | V143 V146 L149 D175 V180 R211 | V143-L178 HydrophobicContact CG1-CD2 3.74Å; V146-L178 HydrophobicContact CG2-CD1 3.98Å; V146-L178 HydrophobicContact CG2-CD2 4.03Å; V146-L178 VanDerWaalsContact O-CD1 3.31Å; V146-L178 WeakPolarHBondContact O-CD1 3.2Å; L149-L178 HydrophobicContact CB-CD2 3.81Å; L149-L178 HydrophobicContact CB-CG 4.19Å; D175-L178 HydrophobicContact CB-CB 3.94Å; D175-L178 PolarHBondContact OD1-N 3.38Å; L178-V180 WeakPolarHBondContact O-CG2 3.22Å; L178-R211 WeakPolarHBondContact O-CD 3.42Å; L178-R211 WeakPolarHBondContact O-CG 3.12Å; L178-R211 PolarHBondContact O-NH1 3.19Å | ||
| 179 | P | 95.3 | Very high | 93.1 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 16% | 0.162 | 22% | 0.216 | C | C | . | . | trans | -59.8 | 140.6 | 174.3 | -24.7 | 35.1 | 0 | 0 | 0 | 112.2 | D147 L149 D177 E212 | D147-P179 WeakPolarHBondContact O-CD 3.47Å; L149-P179 PolarHBondContact N-O 3.29Å; D177-P179 VanDerWaalsContact O-CD 3.23Å; D177-P179 WeakPolarHBondContact O-CD 3.47Å; P179-E212 HydrophobicContact CB-CB 4.41Å | ||
| 180 | V | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.1 | -175.3 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | L149 L168 L172 L178 V182 E212 V213 F214 | L149-V180 HydrophobicContact CB-CG2 4.06Å; L149-V180 HydrophobicContact CD2-CG2 4.17Å; L149-V180 HydrophobicContact CG-CG1 4.49Å; L149-V180 HydrophobicContact CG-CG2 4.42Å; L149-V180 CarbonylContact O-C 3.32Å; L149-V180 WeakPolarHBondContact O-CA 3.47Å; L168-V180 HydrophobicContact CD1-CG1 4.27Å; L172-V180 HydrophobicContact CD2-CB 4.2Å; L172-V180 HydrophobicContact CD2-CG1 4.33Å; L172-V180 HydrophobicContact CD2-CG2 3.22Å; L178-V180 WeakPolarHBondContact O-CG2 3.22Å; V180-V182 HydrophobicContact CG1-CG2 4.05Å; V180-E212 PolarHBondContact N-O 2.84Å; V180-V213 WeakPolarHBondContact O-CA 3.46Å; V180-F214 PolarHBondContact O-N 3.09Å |
| 181 | V | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 106.8 | 171.4 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | V148 L149 V150 F151 V183 F214 L216 L238 L239 L242 | V148-V181 HydrophobicContact CG1-CG2 4.15Å; L149-V181 PolarHBondContact O-N 2.96Å; V150-V181 CarbonylContact C-O 3.42Å; V150-V181 WeakPolarHBondContact CA-O 3.47Å; V150-V181 HydrophobicContact CG2-CB 4.36Å; F151-V181 PolarHBondContact N-O 3.32Å; V181-V183 HydrophobicContact CG1-CG2 4.21Å; V181-F214 HydrophobicContact CG2-CB 4.47Å; V181-F214 HydrophobicContact CG2-CD2 4.23Å; V181-L216 HydrophobicContact CG1-CD1 4.12Å; V181-L238 HydrophobicContact CG1-CD2 4.15Å; V181-L238 HydrophobicContact CG2-CD2 3.93Å; V181-L238 HydrophobicContact CG2-CG 4.49Å; V181-L239 HydrophobicContact CG2-CD2 4.23Å; V181-L242 HydrophobicContact CG2-CD1 3.72Å |
| 182 | V | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 116.6 | 172.2 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | F151 V153 L168 V180 L202 L204 F214 L215 L216 | F151-V182 WeakPolarHBondContact O-CA 3.47Å; V153-V182 HydrophobicContact CG2-CG1 4.07Å; L168-V182 HydrophobicContact CD2-CG2 4.19Å; V180-V182 HydrophobicContact CG1-CG2 4.05Å; V182-L202 HydrophobicContact CG1-CD1 3.87Å; V182-L204 HydrophobicContact CG2-CD1 4.25Å; V182-L204 HydrophobicContact CG2-CD2 4.3Å; V182-F214 PolarHBondContact N-O 2.67Å; V182-L215 HydrophobicContact CB-CD1 3.82Å; V182-L215 HydrophobicContact CG1-CD1 3.59Å; V182-L215 WeakPolarHBondContact O-CA 3.16Å; V182-L216 PolarHBondContact O-N 2.88Å |
| 183 | V | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 105.5 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | V150 F151 V152 V153 V181 N185 A218 I220 I235 | V150-V183 HydrophobicContact CG1-CG2 3.79Å; F151-V183 PolarHBondContact O-N 2.9Å; V152-V183 HydrophobicContact CG1-CB 4.48Å; V152-V183 HydrophobicContact CG2-CB 4.36Å; V153-V183 PolarHBondContact N-O 3.36Å; V181-V183 HydrophobicContact CG1-CG2 4.21Å; V183-N185 HydrophobicContact CG1-CB 4.44Å; V183-N185 PolarHBondContact O-N 2.98Å; V183-N185 VanDerWaalsContact O-N 3.08Å; V183-A218 HydrophobicContact CG1-CB 3.86Å; V183-I220 HydrophobicContact CG1-CD1 4.29Å; V183-I235 HydrophobicContact CB-CD1 4.4Å; V183-I235 HydrophobicContact CG1-CD1 3.67Å; V183-I235 HydrophobicContact CG2-CD1 3.82Å; V183-I235 HydrophobicContact CG2-CG1 4.36Å; V183-I235 HydrophobicContact CG2-CG2 4.25Å |
| 184 | A | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 83.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | S155 Q187 M195 L198 L215 L216 A218 | S155-A184 WeakPolarHBondContact OG-CA 3.15Å; S155-A184 WeakPolarHBondContact OG-CB 3.42Å; S155-A184 PolarHBondContact OG-O 2.79Å; A184-Q187 WeakPolarHBondContact O-CG 3.45Å; A184-M195 HydrophobicContact CB-CE 3.96Å; A184-M195 HydrophobicContact CB-SD 4.03Å; A184-L198 HydrophobicContact CB-CD1 3.5Å; A184-L215 HydrophobicContact CB-CD1 4.24Å; A184-L216 WeakPolarHBondContact CB-O 3.45Å; A184-L216 PolarHBondContact N-O 3.39Å; A184-A218 PolarHBondContact O-N 3.2Å |
| 185 | N | 96.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 163.6 | -176 | -171.3 | 31.5 | 0 | 0 | 0 | 112 | A88 V152 V153 S155 V183 A218 I220 | A88-N185 PolarHBondContact O-ND2 3.11Å; V152-N185 HydrophobicContact CG1-CB 3.96Å; V153-N185 WeakPolarHBondContact O-CB 3.49Å; V153-N185 PolarHBondContact O-N 2.99Å; S155-N185 WeakPolarHBondContact CB-O 3.46Å; S155-N185 PolarHBondContact N-O 3.19Å; S155-N185 PolarHBondContact OG-N 3.11Å; S155-N185 PolarHBondContact OG-O 3.3Å; V183-N185 HydrophobicContact CG1-CB 4.44Å; V183-N185 PolarHBondContact O-N 2.98Å; V183-N185 VanDerWaalsContact O-N 3.08Å; N185-A218 CarbonylContact C-O 3.54Å; N185-A218 VanDerWaalsContact CA-O 3.26Å; N185-A218 WeakPolarHBondContact CA-O 3.21Å; N185-I220 HydrophobicContact CB-CD1 4.24Å; N185-I220 WeakPolarHBondContact OD1-CD1 3.32Å; N185-I220 VanDerWaalsContact OD1-CG1 3.28Å; N185-I220 WeakPolarHBondContact OD1-CG1 3.43Å; N185-I220 PolarHBondContact OD1-N 3.2Å |
| 186 | K | 93.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 43.8 Ų | 43.8 | 24% | 0.235 | 25% | 0.25 | C | S | . | . | trans | 66.3 | 35.5 | 178.6 | -43.2 | -168 | -166 | 172.5 | 0 | 114.1 | G87 D154 D188 L189 A218 | G87-K186 WeakPolarHBondContact O-CE 3.26Å; G87-K186 PolarHBondContact O-NZ 2.89Å; D154-K186 WeakPolarHBondContact OD1-CD 3.48Å; D154-K186 VanDerWaalsContact OD2-CE 3.28Å; D154-K186 WeakPolarHBondContact OD2-CE 3.11Å; D154-K186 IonicContact OD2-NZ 3.9Å; D154-K186 PolarHBondContact OD2-NZ 3.33Å; K186-D188 WeakPolarHBondContact CA-OD1 3.32Å; K186-D188 PolarHBondContact O-N 3.36Å; K186-L189 HydrophobicContact CB-CD1 3.8Å; K186-L189 HydrophobicContact CB-CG 4.13Å; K186-L189 HydrophobicContact CD-CD1 4Å; K186-L189 PolarHBondContact O-N 3.22Å; K186-A218 PolarHBondContact N-O 2.86Å | ||
| 187 | Q | 93.9 | Very high | 95.2 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -4.3 | 176.9 | -71.9 | -75.4 | -29 | 0 | 0 | 113.2 | S155 A184 M193 A217 A218 | S155-Q187 PolarHBondContact OG-NE2 2.99Å; A184-Q187 WeakPolarHBondContact O-CG 3.45Å; Q187-M193 PolarHBondContact NE2-O 2.75Å; Q187-A217 HydrophobicContact CG-CB 4.05Å; Q187-A218 PolarHBondContact N-O 2.87Å |
| 188 | D | 90.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 22% | 0.219 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.1 | 172 | 56.7 | -62.4 | 0 | 0 | 0 | 113.4 | K186 S219 P222 A223 F227 | K186-D188 WeakPolarHBondContact CA-OD1 3.32Å; K186-D188 PolarHBondContact O-N 3.36Å; D188-S219 PolarHBondContact N-OG 3.33Å; D188-S219 WeakPolarHBondContact OD1-CB 3.49Å; D188-S219 PolarHBondContact OD1-OG 3.02Å; D188-P222 HydrophobicContact CB-CB 4.36Å; D188-A223 PolarHBondContact OD2-N 3.23Å; D188-F227 HydrophobicContact CB-CD2 4.48Å; D188-F227 HydrophobicContact CB-CE1 4.08Å; D188-F227 HydrophobicContact CB-CE2 3.56Å; D188-F227 HydrophobicContact CB-CZ 3.34Å |
| 189 | L | 91.9 | Very high | 95.9 | Very high | 67 Ų | 67 | 40.5 Ų | 40.5 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -80.6 | 142.2 | -179.2 | -59.2 | -179.1 | 0 | 0 | 0 | 111.5 | A156 K186 E191 A192 | A156-L189 HydrophobicContact CB-CB 4.08Å; A156-L189 HydrophobicContact CB-CD1 3.65Å; A156-L189 HydrophobicContact CB-CG 4.5Å; K186-L189 HydrophobicContact CB-CD1 3.8Å; K186-L189 HydrophobicContact CB-CG 4.13Å; K186-L189 HydrophobicContact CD-CD1 4Å; K186-L189 PolarHBondContact O-N 3.22Å; L189-E191 PolarHBondContact O-N 3.23Å; L189-A192 WeakPolarHBondContact O-CB 3.37Å; L189-A192 PolarHBondContact O-N 3.5Å |
| 190 | S | 92.3 | Very high | 96 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 79% | 0.79 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.6 | 179.7 | 40 | 0 | 0 | 0 | 0 | 114.1 | A192 | S190-A192 VanDerWaalsContact C-N 3.3Š|
| 191 | E | 94.8 | Very high | 96 | Very high | 113 Ų | 113 | 50.3 Ų | 50.3 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -6.6 | -179.2 | -63.3 | 82 | 173 | 0 | 0 | 112.7 | A156 L189 M193 | A156-E191 HydrophobicContact CB-CB 4.18Å; L189-E191 PolarHBondContact O-N 3.23Å; E191-M193 PolarHBondContact O-N 3.01Å |
| 192 | A | 96.3 | Very high | 96 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 132 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | S155 L189 S190 | S155-A192 WeakPolarHBondContact O-CA 3.25Å; L189-A192 WeakPolarHBondContact O-CB 3.37Å; L189-A192 PolarHBondContact O-N 3.5Å; S190-A192 VanDerWaalsContact C-N 3.3Å |
| 193 | M | 98 | Very high | 95.9 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -69 | 142 | 172.4 | -76.5 | 170.8 | -81.1 | 0 | 0 | 110.8 | S155 R158 L161 Q187 E191 E197 L198 | S155-M193 WeakPolarHBondContact O-CE 3.37Å; S155-M193 PolarHBondContact O-N 3.02Å; R158-M193 HydrophobicContact CB-CE 4.4Å; R158-M193 HydrophobicContact CG-CE 3.74Å; R158-M193 HydrophobicContact CG-CG 3.96Å; R158-M193 HydrophobicContact CG-SD 3.75Å; L161-M193 HydrophobicContact CB-CE 4.35Å; L161-M193 HydrophobicContact CD1-CE 4.31Å; L161-M193 HydrophobicContact CD2-CE 3.66Å; L161-M193 HydrophobicContact CD2-SD 3.53Å; L161-M193 VanDerWaalsContact CD2-SD 3.53Å; L161-M193 HydrophobicContact CG-CE 4.35Å; Q187-M193 PolarHBondContact NE2-O 2.75Å; E191-M193 PolarHBondContact O-N 3.01Å; M193-E197 HydrophobicContact CB-CB 4.25Å; M193-L198 HydrophobicContact CB-CD1 4.25Å; M193-L198 HydrophobicContact CB-CD2 4Å; M193-L198 HydrophobicContact CB-CG 3.69Å; M193-L198 HydrophobicContact CE-CD2 3.91Å; M193-L198 HydrophobicContact SD-CD2 4.14Å |
| 194 | S | 97.6 | Very high | 95.7 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 40% | 0.399 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 156.1 | 169.9 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | V196 E197 L198 | S194-V196 PolarHBondContact O-N 3.23Å; S194-E197 PolarHBondContact N-OE2 3.12Å; S194-E197 WeakPolarHBondContact O-CB 3.46Å; S194-E197 PolarHBondContact O-N 2.94Å; S194-E197 VanDerWaalsContact O-N 3.11Å; S194-E197 WeakPolarHBondContact OG-CB 3.42Å; S194-E197 VanDerWaalsContact OG-CG 3.24Å; S194-E197 WeakPolarHBondContact OG-CG 3.46Å; S194-E197 PolarHBondContact OG-N 3.49Å; S194-E197 PolarHBondContact OG-OE2 2.66Å; S194-L198 PolarHBondContact O-N 2.96Å |
| 195 | M | 96.4 | Very high | 95.3 | Very high | 57 Ų | 57 | 58.2 Ų | 58.2 | 28% | 0.281 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.9 | -35.1 | 179 | -58.8 | -50.8 | -72 | 0 | 0 | 112.7 | A184 L198 Q199 L215 A217 | A184-M195 HydrophobicContact CB-CE 3.96Å; A184-M195 HydrophobicContact CB-SD 4.03Å; M195-L198 PolarHBondContact O-N 3.05Å; M195-L198 HydrophobicContact SD-CD1 4.25Å; M195-Q199 WeakPolarHBondContact O-CB 3.36Å; M195-Q199 PolarHBondContact O-N 2.87Å; M195-L215 HydrophobicContact CE-CD1 4.08Å; M195-L215 HydrophobicContact CE-CD2 3.91Å; M195-L215 HydrophobicContact CE-CG 3.51Å; M195-A217 HydrophobicContact CE-CB 3.98Å; M195-A217 HydrophobicContact CG-CB 4.43Å; M195-A217 HydrophobicContact SD-CB 3.66Å |
| 196 | V | 96.9 | Very high | 94.8 | Very high | 108 Ų | 108 | 62 Ų | 62 | 66% | 0.655 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.8 | -43 | 176.8 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | S194 R200 | S194-V196 PolarHBondContact O-N 3.23Å; V196-R200 PolarHBondContact O-N 3.3Å |
| 197 | E | 97.2 | Very high | 94.4 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 173.6 | -74.3 | 171.1 | 117.4 | 0 | 0 | 110.6 | R158 M193 S194 Q199 R200 E201 | R158-E197 IonicContact CZ-OE1 3.88Å; R158-E197 IonicContact NH1-OE1 2.76Å; R158-E197 PolarHBondContact NH1-OE1 2.92Å; R158-E197 IonicContact NH2-OE1 3.96Å; R158-E197 PolarHBondContact NH2-OE1 3.48Å; R158-E197 IonicContact NH2-OE2 3.3Å; R158-E197 PolarHBondContact NH2-OE2 3.33Å; M193-E197 HydrophobicContact CB-CB 4.25Å; S194-E197 PolarHBondContact N-OE2 3.12Å; S194-E197 WeakPolarHBondContact O-CB 3.46Å; S194-E197 PolarHBondContact O-N 2.94Å; S194-E197 VanDerWaalsContact O-N 3.11Å; S194-E197 WeakPolarHBondContact OG-CB 3.42Å; S194-E197 VanDerWaalsContact OG-CG 3.24Å; S194-E197 WeakPolarHBondContact OG-CG 3.46Å; S194-E197 PolarHBondContact OG-N 3.49Å; S194-E197 PolarHBondContact OG-OE2 2.66Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; E197-Q199 PolarHBondContact O-N 3.05Å; E197-R200 PolarHBondContact O-N 3.13Å; E197-R200 VanDerWaalsContact O-N 3.11Å; E197-E201 WeakPolarHBondContact O-CB 3.41Å; E197-E201 VanDerWaalsContact O-CG 3.31Å; E197-E201 WeakPolarHBondContact O-CG 3.49Å; E197-E201 PolarHBondContact O-N 2.81Å |
| 198 | L | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 179.8 | -77.1 | 167.7 | 0 | 0 | 0 | 112.3 | V153 L161 A184 M193 S194 M195 R200 E201 L202 L215 | V153-L198 HydrophobicContact CG1-CD2 4.46Å; L161-L198 HydrophobicContact CD1-CD2 4.03Å; L161-L198 HydrophobicContact CD2-CD2 4.05Å; A184-L198 HydrophobicContact CB-CD1 3.5Å; M193-L198 HydrophobicContact CB-CD1 4.25Å; M193-L198 HydrophobicContact CB-CD2 4Å; M193-L198 HydrophobicContact CB-CG 3.69Å; M193-L198 HydrophobicContact CE-CD2 3.91Å; M193-L198 HydrophobicContact SD-CD2 4.14Å; S194-L198 PolarHBondContact O-N 2.96Å; M195-L198 PolarHBondContact O-N 3.05Å; M195-L198 HydrophobicContact SD-CD1 4.25Å; L198-R200 VanDerWaalsContact C-N 3.26Å; L198-R200 PolarHBondContact O-N 2.95Å; L198-E201 PolarHBondContact O-N 3.14Å; L198-L202 WeakPolarHBondContact O-CB 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.35Å; L198-L202 PolarHBondContact O-N 3.45Å; L198-L215 HydrophobicContact CB-CD2 4.4Å |
| 199 | Q | 96.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 69.9 Ų | 69.9 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 177.4 | -169.5 | -177.4 | -0.8 | 0 | 0 | 111.8 | M195 E197 G203 L204 Q205 L215 | M195-Q199 WeakPolarHBondContact O-CB 3.36Å; M195-Q199 PolarHBondContact O-N 2.87Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; E197-Q199 PolarHBondContact O-N 3.05Å; Q199-G203 PolarHBondContact O-N 3.17Å; Q199-L204 HydrophobicContact CG-CB 4.18Å; Q199-L204 PolarHBondContact O-N 3.25Å; Q199-Q205 HydrophobicContact CG-CG 4.06Å; Q199-L215 HydrophobicContact CB-CD2 3.89Å |
| 200 | R | 96.7 | Very high | 91.3 | Very high | 159 Ų | 159 | 73.9 Ų | 73.9 | 60% | 0.6 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -71.8 | -50.3 | 177.7 | -174.3 | -173.6 | 71.8 | -167.8 | -1.4 | 112.1 | V196 E197 L198 G203 | V196-R200 PolarHBondContact O-N 3.3Å; E197-R200 PolarHBondContact O-N 3.13Å; E197-R200 VanDerWaalsContact O-N 3.11Å; L198-R200 VanDerWaalsContact C-N 3.26Å; L198-R200 PolarHBondContact O-N 2.95Å; R200-G203 WeakPolarHBondContact O-CA 3.37Å; R200-G203 PolarHBondContact O-N 3.46Å |
| 201 | E | 97.3 | Very high | 91 | Very high | 73 Ų | 73 | 69.9 Ų | 69.9 | 34% | 0.341 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | -174.6 | -67.2 | -53.4 | 139.3 | 0 | 0 | 111.5 | L161 R165 E197 L198 G203 | L161-E201 HydrophobicContact CD2-CB 3.32Å; L161-E201 HydrophobicContact CD2-CG 3.98Å; L161-E201 HydrophobicContact CG-CB 4.38Å; R165-E201 VanDerWaalsContact CD-O 3.26Å; R165-E201 WeakPolarHBondContact CD-O 3.23Å; R165-E201 PolarHBondContact NH1-O 3.19Å; E197-E201 WeakPolarHBondContact O-CB 3.41Å; E197-E201 VanDerWaalsContact O-CG 3.31Å; E197-E201 WeakPolarHBondContact O-CG 3.49Å; E197-E201 PolarHBondContact O-N 2.81Å; L198-E201 PolarHBondContact O-N 3.14Å; E201-G203 PolarHBondContact O-N 2.76Å |
| 202 | L | 97.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -6 | 172.2 | -66.5 | 171.9 | 0 | 0 | 0 | 113 | V153 L161 R165 H169 V182 L198 L204 | V153-L202 HydrophobicContact CG2-CD1 4.2Å; V153-L202 HydrophobicContact CG2-CD2 4.38Å; L161-L202 HydrophobicContact CD1-CD2 3.65Å; L161-L202 HydrophobicContact CD1-CG 4.11Å; L161-L202 HydrophobicContact CG-CD2 4.16Å; R165-L202 HydrophobicContact CB-CD2 4.27Å; H169-L202 PolarHBondContact NE2-O 3.49Å; V182-L202 HydrophobicContact CG1-CD1 3.87Å; L198-L202 WeakPolarHBondContact O-CB 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.35Å; L198-L202 PolarHBondContact O-N 3.45Å; L202-L204 VanDerWaalsContact C-N 3.27Å; L202-L204 HydrophobicContact CB-CD1 4.4Å; L202-L204 HydrophobicContact CB-CD2 3.92Å; L202-L204 HydrophobicContact CB-CG 3.83Å; L202-L204 HydrophobicContact CD1-CD1 4.45Å; L202-L204 PolarHBondContact O-N 2.65Å |
| 203 | G | 95.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 71 Ų | 71 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 30.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q199 R200 E201 Q205 A206 | Q199-G203 PolarHBondContact O-N 3.17Å; R200-G203 WeakPolarHBondContact O-CA 3.37Å; R200-G203 PolarHBondContact O-N 3.46Å; E201-G203 PolarHBondContact O-N 2.76Å; G203-Q205 PolarHBondContact O-N 2.78Å; G203-A206 PolarHBondContact O-N 3.03Å |
| 204 | L | 93.9 | Very high | 90.7 | Very high | 15 Ų | 15 | 73.6 Ų | 73.6 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -69.3 | -23.3 | -175.3 | -55.5 | -177.2 | 0 | 0 | 0 | 112.5 | L168 V182 Q199 L202 A206 L207 L215 | L168-L204 HydrophobicContact CD2-CD2 3.73Å; V182-L204 HydrophobicContact CG2-CD1 4.25Å; V182-L204 HydrophobicContact CG2-CD2 4.3Å; Q199-L204 HydrophobicContact CG-CB 4.18Å; Q199-L204 PolarHBondContact O-N 3.25Å; L202-L204 VanDerWaalsContact C-N 3.27Å; L202-L204 HydrophobicContact CB-CD1 4.4Å; L202-L204 HydrophobicContact CB-CD2 3.92Å; L202-L204 HydrophobicContact CB-CG 3.83Å; L202-L204 HydrophobicContact CD1-CD1 4.45Å; L202-L204 PolarHBondContact O-N 2.65Å; L204-A206 PolarHBondContact O-N 3.34Å; L204-L207 HydrophobicContact CB-CD1 4.38Å; L204-L207 HydrophobicContact CD2-CD1 3.87Å; L204-L207 WeakPolarHBondContact O-CB 3.25Å; L204-L207 PolarHBondContact O-N 3.29Å; L204-L215 HydrophobicContact CD1-CB 4.16Å; L204-L215 HydrophobicContact CD1-CD1 4.18Å; L204-L215 HydrophobicContact CD1-CD2 4.16Å; L204-L215 HydrophobicContact CD1-CG 4.36Å |
| 205 | Q | 89.1 | Confident | 90.6 | Very high | 144 Ų | 144 | 72.9 Ų | 72.9 | 67% | 0.673 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -68.8 | -18 | 176.4 | -62.1 | -163.3 | -2.3 | 0 | 0 | 113.9 | Q199 G203 | Q199-Q205 HydrophobicContact CG-CG 4.06Å; G203-Q205 PolarHBondContact O-N 2.78Å |
| 206 | A | 85.2 | Confident | 90.6 | Very high | 86 Ų | 86 | 72.5 Ų | 72.5 | 71% | 0.711 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -90.1 | -3.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G203 L204 | G203-A206 PolarHBondContact O-N 3.03Å; L204-A206 PolarHBondContact O-N 3.34Å |
| 207 | L | 85.8 | Confident | 90.5 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -74.3 | 144.1 | 178.4 | -59.3 | 177.6 | 0 | 0 | 0 | 110.1 | L172 L204 V213 | L172-L207 HydrophobicContact CD1-CD1 3.6Å; L172-L207 HydrophobicContact CD1-CD2 3.51Å; L172-L207 HydrophobicContact CD1-CG 4.22Å; L204-L207 HydrophobicContact CB-CD1 4.38Å; L204-L207 HydrophobicContact CD2-CD1 3.87Å; L204-L207 WeakPolarHBondContact O-CB 3.25Å; L204-L207 PolarHBondContact O-N 3.29Å; L207-V213 HydrophobicContact CD1-CG1 4.12Å; L207-V213 HydrophobicContact CD1-CG2 3.88Å |
| 208 | D | 66.9 | Low | 90.3 | Very high | 97 Ų | 97 | 67.2 Ų | 67.2 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | trans | -60.6 | 143.4 | -177.8 | -165.2 | -8 | 0 | 0 | 0 | 111 | Q210 R211 | D208-Q210 PolarHBondContact O-N 3.05Å; D208-Q210 VanDerWaalsContact O-N 3.14Å; D208-Q210 PolarHBondContact OD1-N 2.73Å; D208-Q210 PolarHBondContact OD2-NE2 3.09Å; D208-R211 PolarHBondContact O-N 3.24Å | ||
| 209 | H | 71.5 | Confident | 90 | Very high | 187 Ų | 187 | 67.6 Ų | 67.6 | 87% | 0.866 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -8.6 | 176.4 | -62.1 | -53.4 | 0 | 0 | 0 | 113.2 | R211 | H209-R211 VanDerWaalsContact C-N 3.31Š|
| 210 | Q | 73.2 | Confident | 89.5 | Confident | 152 Ų | 152 | 64.2 Ų | 64.2 | 71% | 0.71 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.4 | 178.1 | -64 | -177.2 | 33.7 | 0 | 0 | 113.3 | D208 | D208-Q210 PolarHBondContact O-N 3.05Å; D208-Q210 VanDerWaalsContact O-N 3.14Å; D208-Q210 PolarHBondContact OD1-N 2.73Å; D208-Q210 PolarHBondContact OD2-NE2 3.09Å |
| 211 | R | 87.3 | Confident | 88.7 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 11% | 0.109 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -107.8 | 139.9 | 179.6 | -173.6 | -162.4 | -56 | -113.5 | 5.2 | 112.2 | L172 D175 P176 L178 D208 H209 V213 | L172-R211 PolarHBondContact O-NH2 3.49Å; D175-R211 PolarHBondContact O-NH1 2.83Å; D175-R211 PolarHBondContact O-NH2 2.99Å; P176-R211 VanDerWaalsContact C-NH2 3.34Å; P176-R211 PolarHBondContact O-NE 2.66Å; P176-R211 VanDerWaalsContact O-NE 3.13Å; P176-R211 PolarHBondContact O-NH2 3.38Å; P176-R211 VanDerWaalsContact O-NH2 3.11Å; L178-R211 WeakPolarHBondContact O-CD 3.42Å; L178-R211 WeakPolarHBondContact O-CG 3.12Å; L178-R211 PolarHBondContact O-NH1 3.19Å; D208-R211 PolarHBondContact O-N 3.24Å; H209-R211 VanDerWaalsContact C-N 3.31Å; R211-V213 HydrophobicContact CG-CG2 4.23Å; R211-V213 PolarHBondContact O-N 2.98Å |
| 212 | E | 90.5 | Very high | 87.4 | Confident | 110 Ų | 110 | 57 Ų | 57 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | trans | -73.7 | 118.1 | 167.5 | -61.4 | -174.1 | 76.8 | 0 | 0 | 111.7 | P179 V180 F214 | P179-E212 HydrophobicContact CB-CB 4.41Å; V180-E212 PolarHBondContact N-O 2.84Å; E212-F214 HydrophobicContact CB-CE2 3.72Å; E212-F214 HydrophobicContact CB-CZ 4.16Å | ||
| 213 | V | 94.8 | Very high | 85.7 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 121 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | V180 L207 R211 | V180-V213 WeakPolarHBondContact O-CA 3.46Å; L207-V213 HydrophobicContact CD1-CG1 4.12Å; L207-V213 HydrophobicContact CD1-CG2 3.88Å; R211-V213 HydrophobicContact CG-CG2 4.23Å; R211-V213 PolarHBondContact O-N 2.98Å |
| 214 | F | 96.1 | Very high | 83.9 | Confident | 58 Ų | 58 | 63 Ų | 63 | 25% | 0.254 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.5 | 178.3 | -55.7 | -89 | 0 | 0 | 0 | 110.2 | V180 V181 V182 E212 L238 L242 | V180-F214 PolarHBondContact O-N 3.09Å; V181-F214 HydrophobicContact CG2-CB 4.47Å; V181-F214 HydrophobicContact CG2-CD2 4.23Å; V182-F214 PolarHBondContact N-O 2.67Å; E212-F214 HydrophobicContact CB-CE2 3.72Å; E212-F214 HydrophobicContact CB-CZ 4.16Å; F214-L238 HydrophobicContact CB-CD2 3.69Å; F214-L238 HydrophobicContact CD1-CD1 4.09Å; F214-L238 HydrophobicContact CD1-CD2 3.93Å; F214-L238 HydrophobicContact CD2-CD1 4.45Å; F214-L238 HydrophobicContact CD2-CD2 4.02Å; F214-L238 HydrophobicContact CE1-CD1 3.96Å; F214-L238 HydrophobicContact CE2-CD1 4.33Å; F214-L238 HydrophobicContact CG-CD1 4.34Å; F214-L238 HydrophobicContact CG-CD2 3.6Å; F214-L238 HydrophobicContact CZ-CD1 4.08Å; F214-L242 HydrophobicContact CD2-CD1 4.14Å; F214-L242 HydrophobicContact CE2-CD1 3.89Å; F214-L242 HydrophobicContact CE2-CD2 3.7Å; F214-L242 HydrophobicContact CE2-CG 4.32Å; F214-L242 HydrophobicContact CZ-CD2 4.08Å |
| 215 | L | 96.5 | Very high | 82 | Confident | 42 Ų | 42 | 69 Ų | 69 | 22% | 0.22 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 112.3 | 174.1 | 176.5 | 66.1 | 0 | 0 | 0 | 108.7 | V182 A184 M195 L198 Q199 L204 | V182-L215 HydrophobicContact CB-CD1 3.82Å; V182-L215 HydrophobicContact CG1-CD1 3.59Å; V182-L215 WeakPolarHBondContact O-CA 3.16Å; A184-L215 HydrophobicContact CB-CD1 4.24Å; M195-L215 HydrophobicContact CE-CD1 4.08Å; M195-L215 HydrophobicContact CE-CD2 3.91Å; M195-L215 HydrophobicContact CE-CG 3.51Å; L198-L215 HydrophobicContact CB-CD2 4.4Å; Q199-L215 HydrophobicContact CB-CD2 3.89Å; L204-L215 HydrophobicContact CD1-CB 4.16Å; L204-L215 HydrophobicContact CD1-CD1 4.18Å; L204-L215 HydrophobicContact CD1-CD2 4.16Å; L204-L215 HydrophobicContact CD1-CG 4.36Å |
| 216 | L | 95.9 | Very high | 80.2 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 25% | 0.251 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.2 | -174.6 | -63.9 | 179.8 | 0 | 0 | 0 | 111.7 | V181 V182 A184 I235 L238 | V181-L216 HydrophobicContact CG1-CD1 4.12Å; V182-L216 PolarHBondContact O-N 2.88Å; A184-L216 WeakPolarHBondContact CB-O 3.45Å; A184-L216 PolarHBondContact N-O 3.39Å; L216-I235 HydrophobicContact CB-CG1 4.25Å; L216-I235 HydrophobicContact CD1-CB 4.35Å; L216-I235 HydrophobicContact CD1-CG1 3.69Å; L216-L238 HydrophobicContact CD1-CD2 3.65Å; L216-L238 HydrophobicContact CG-CD2 4.43Å |
| 217 | A | 94.7 | Very high | 78.6 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q187 M195 | Q187-A217 HydrophobicContact CG-CB 4.05Å; M195-A217 HydrophobicContact CE-CB 3.98Å; M195-A217 HydrophobicContact CG-CB 4.43Å; M195-A217 HydrophobicContact SD-CB 3.66Å |
| 218 | A | 92.6 | Very high | 77 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 3% | 0.025 | 42% | 0.424 | C | S | . | . | trans | -147 | 150.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V183 A184 N185 K186 Q187 I220 I235 | V183-A218 HydrophobicContact CG1-CB 3.86Å; A184-A218 PolarHBondContact O-N 3.2Å; N185-A218 CarbonylContact C-O 3.54Å; N185-A218 VanDerWaalsContact CA-O 3.26Å; N185-A218 WeakPolarHBondContact CA-O 3.21Å; K186-A218 PolarHBondContact N-O 2.86Å; Q187-A218 PolarHBondContact N-O 2.87Å; A218-I220 HydrophobicContact CB-CG1 4.05Å; A218-I235 HydrophobicContact CB-CD1 3.87Å | ||
| 219 | S | 91.3 | Very high | 76.6 | Confident | 9 Ų | 9 | 75.5 Ų | 75.5 | 6% | 0.063 | 43% | 0.425 | C | S | . | . | trans | -127.6 | 84.3 | 166.8 | -62.9 | 0 | 0 | 0 | 0 | 107 | D188 A221 P222 P230 | D188-S219 PolarHBondContact N-OG 3.33Å; D188-S219 WeakPolarHBondContact OD1-CB 3.49Å; D188-S219 PolarHBondContact OD1-OG 3.02Å; S219-A221 VanDerWaalsContact C-N 3.28Å; S219-A221 PolarHBondContact O-N 2.88Å; S219-P222 VanDerWaalsContact O-CD 3.31Å; S219-P222 WeakPolarHBondContact O-CD 3.26Å; S219-P230 CarbonylContact C-O 3.46Å; S219-P230 CarbonylContact O-C 3.5Å | ||
| 220 | I | 87.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -70.2 | -28.5 | -169.6 | -61.5 | 170.2 | 0 | 0 | 0 | 111.6 | T92 F93 V96 V183 N185 A218 T232 | T92-I220 HydrophobicContact CG2-CG2 3.99Å; F93-I220 HydrophobicContact CB-CD1 3.76Å; F93-I220 HydrophobicContact CD2-CD1 3.6Å; F93-I220 HydrophobicContact CD2-CG1 4.37Å; F93-I220 HydrophobicContact CG-CD1 4.09Å; V96-I220 HydrophobicContact CB-CG2 4.15Å; V96-I220 HydrophobicContact CG2-CG2 3.9Å; V183-I220 HydrophobicContact CG1-CD1 4.29Å; N185-I220 HydrophobicContact CB-CD1 4.24Å; N185-I220 WeakPolarHBondContact OD1-CD1 3.32Å; N185-I220 VanDerWaalsContact OD1-CG1 3.28Å; N185-I220 WeakPolarHBondContact OD1-CG1 3.43Å; N185-I220 PolarHBondContact OD1-N 3.2Å; A218-I220 HydrophobicContact CB-CG1 4.05Å; I220-T232 HydrophobicContact CB-CG2 4.32Å; I220-T232 HydrophobicContact CG1-CG2 3.89Å; I220-T232 HydrophobicContact CG2-CG2 4.02Å |
| 221 | A | 79.4 | Confident | 76.2 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 40% | 0.397 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -138.7 | 66.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | T92 P102 S219 A223 | T92-A221 HydrophobicContact CG2-CB 3.91Å; P102-A221 HydrophobicContact CB-CB 3.65Å; P102-A221 HydrophobicContact CG-CB 4.25Å; S219-A221 VanDerWaalsContact C-N 3.28Å; S219-A221 PolarHBondContact O-N 2.88Å; A221-A223 PolarHBondContact O-N 3.27Å |
| 222 | P | 70.6 | Confident | 76 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | trans | -66.3 | 137.4 | -171.8 | 23.2 | -23.2 | 0 | 0 | 0 | 110.3 | D188 S219 G224 F227 | D188-P222 HydrophobicContact CB-CB 4.36Å; S219-P222 VanDerWaalsContact O-CD 3.31Å; S219-P222 WeakPolarHBondContact O-CD 3.26Å; P222-G224 VanDerWaalsContact C-N 3.27Å; P222-G224 PolarHBondContact O-N 2.64Å; P222-F227 HydrophobicContact CB-CB 3.79Å; P222-F227 HydrophobicContact CB-CD1 4.34Å; P222-F227 HydrophobicContact CB-CD2 3.29Å; P222-F227 HydrophobicContact CB-CE2 3.94Å; P222-F227 HydrophobicContact CB-CG 3.53Å; P222-F227 HydrophobicContact CG-CB 3.54Å; P222-F227 HydrophobicContact CG-CD2 4.07Å; P222-F227 HydrophobicContact CG-CG 3.9Å | ||
| 223 | A | 60.2 | Low | 75.8 | Confident | 94 Ų | 94 | 60 Ų | 60 | 78% | 0.777 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -77.4 | 76.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D188 A221 | D188-A223 PolarHBondContact OD2-N 3.23Å; A221-A223 PolarHBondContact O-N 3.27Å |
| 224 | G | 58.1 | Low | 75.6 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 40% | 0.402 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 149.9 | 167.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116 | P222 S226 | P222-G224 VanDerWaalsContact C-N 3.27Å; P222-G224 PolarHBondContact O-N 2.64Å; G224-S226 PolarHBondContact O-N 3.18Å |
| 225 | P | 54 | Low | 75.5 | Confident | 142 Ų | 142 | 60.5 Ų | 60.5 | 92% | 0.922 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -1.1 | -177 | 31 | -35.6 | 0 | 0 | 0 | 114.5 | ||
| 226 | S | 51.4 | Low | 75.4 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 65% | 0.65 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 5.8 | -167.7 | 49.9 | 0 | 0 | 0 | 0 | 115.4 | G224 | G224-S226 PolarHBondContact O-N 3.18Š|
| 227 | F | 52.4 | Low | 75.3 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 37% | 0.373 | 38% | 0.383 | S | S | . | . | trans | -105.9 | 97.7 | 176.5 | -74 | -90.7 | 0 | 0 | 0 | 109.1 | D188 P222 E229 | D188-F227 HydrophobicContact CB-CD2 4.48Å; D188-F227 HydrophobicContact CB-CE1 4.08Å; D188-F227 HydrophobicContact CB-CE2 3.56Å; D188-F227 HydrophobicContact CB-CZ 3.34Å; P222-F227 HydrophobicContact CB-CB 3.79Å; P222-F227 HydrophobicContact CB-CD1 4.34Å; P222-F227 HydrophobicContact CB-CD2 3.29Å; P222-F227 HydrophobicContact CB-CE2 3.94Å; P222-F227 HydrophobicContact CB-CG 3.53Å; P222-F227 HydrophobicContact CG-CB 3.54Å; P222-F227 HydrophobicContact CG-CD2 4.07Å; P222-F227 HydrophobicContact CG-CG 3.9Å; F227-E229 PolarHBondContact O-N 2.85Å | ||
| 228 | E | 52 | Low | 75.4 | Confident | 197 Ų | 197 | 63.7 Ų | 63.7 | 92% | 0.921 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -68.7 | -19.2 | -175.9 | -69.8 | -175.4 | 156.6 | 0 | 0 | 112.9 | ||
| 229 | E | 59.1 | Low | 75.5 | Confident | 115 Ų | 115 | 63.5 Ų | 63.5 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -144.1 | 129.7 | 171.4 | -69.6 | -174.3 | 173.1 | 0 | 0 | 111.5 | F227 G231 H234 | F227-E229 PolarHBondContact O-N 2.85Å; E229-G231 PolarHBondContact O-N 3.27Å; E229-H234 IonicContact OE2-CE1 3.72Å; E229-H234 PolarHBondContact OE2-CE1 3.21Å; E229-H234 VanDerWaalsContact OE2-CE1 3.24Å; E229-H234 IonicContact OE2-ND1 3.24Å |
| 230 | P | 61.2 | Low | 75.7 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | trans | -68.3 | 10.5 | -174.8 | -17.2 | 29 | 0 | 0 | 0 | 116.2 | S219 T232 | S219-P230 CarbonylContact C-O 3.46Å; S219-P230 CarbonylContact O-C 3.5Å; P230-T232 HydrophobicContact CB-CG2 4.36Å; P230-T232 PolarHBondContact O-N 2.81Å | ||
| 231 | G | 74.8 | Confident | 76.1 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 66.8 | -20.1 | -170 | 0 | 0 | 0 | 0 | 0 | 114.5 | E229 V233 H234 I235 | E229-G231 PolarHBondContact O-N 3.27Å; G231-V233 VanDerWaalsContact C-N 3.31Å; G231-V233 PolarHBondContact O-N 2.98Å; G231-H234 PolarHBondContact O-N 3.42Å; G231-I235 PolarHBondContact O-N 2.73Å |
| 232 | T | 82.9 | Confident | 76.8 | Confident | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.049 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.3 | -29.7 | -179.1 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | F93 V96 I220 P230 I235 W236 | F93-T232 HydrophobicContact CD2-CG2 4.26Å; V96-T232 HydrophobicContact CB-CG2 4.38Å; V96-T232 HydrophobicContact CG1-CG2 3.77Å; I220-T232 HydrophobicContact CB-CG2 4.32Å; I220-T232 HydrophobicContact CG1-CG2 3.89Å; I220-T232 HydrophobicContact CG2-CG2 4.02Å; P230-T232 HydrophobicContact CB-CG2 4.36Å; P230-T232 PolarHBondContact O-N 2.81Å; T232-I235 PolarHBondContact O-N 3.48Å; T232-W236 WeakPolarHBondContact O-CB 3.48Å; T232-W236 PolarHBondContact O-N 3.41Å |
| 233 | V | 86.6 | Confident | 78 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 176.7 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | G231 I235 W236 K237 | G231-V233 VanDerWaalsContact C-N 3.31Å; G231-V233 PolarHBondContact O-N 2.98Å; V233-I235 VanDerWaalsContact C-N 3.35Å; V233-W236 PolarHBondContact O-N 3.3Å; V233-K237 WeakPolarHBondContact O-CB 3.27Å; V233-K237 PolarHBondContact O-N 2.78Å |
| 234 | H | 89.9 | Confident | 79.4 | Confident | 114 Ų | 114 | 70.1 Ų | 70.1 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 178.2 | -69.3 | 87.6 | 0 | 0 | 0 | 111.3 | E229 G231 K237 L238 | E229-H234 IonicContact OE2-CE1 3.72Å; E229-H234 PolarHBondContact OE2-CE1 3.21Å; E229-H234 VanDerWaalsContact OE2-CE1 3.24Å; E229-H234 IonicContact OE2-ND1 3.24Å; G231-H234 PolarHBondContact O-N 3.42Å; H234-K237 PolarHBondContact O-N 3.43Å; H234-L238 PolarHBondContact O-N 2.95Å |
| 235 | I | 94.2 | Very high | 80.4 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 175.8 | -62.1 | 163 | 0 | 0 | 0 | 110.3 | F93 V183 L216 A218 G231 T232 V233 K237 L238 L239 | F93-I235 HydrophobicContact CE2-CB 4.28Å; F93-I235 HydrophobicContact CE2-CD1 3.98Å; F93-I235 HydrophobicContact CE2-CG2 3.74Å; F93-I235 HydrophobicContact CZ-CG2 3.59Å; V183-I235 HydrophobicContact CB-CD1 4.4Å; V183-I235 HydrophobicContact CG1-CD1 3.67Å; V183-I235 HydrophobicContact CG2-CD1 3.82Å; V183-I235 HydrophobicContact CG2-CG1 4.36Å; V183-I235 HydrophobicContact CG2-CG2 4.25Å; L216-I235 HydrophobicContact CB-CG1 4.25Å; L216-I235 HydrophobicContact CD1-CB 4.35Å; L216-I235 HydrophobicContact CD1-CG1 3.69Å; A218-I235 HydrophobicContact CB-CD1 3.87Å; G231-I235 PolarHBondContact O-N 2.73Å; T232-I235 PolarHBondContact O-N 3.48Å; V233-I235 VanDerWaalsContact C-N 3.35Å; I235-K237 VanDerWaalsContact C-N 3.34Å; I235-K237 PolarHBondContact O-N 3.49Å; I235-L238 PolarHBondContact O-N 3.06Å; I235-L239 HydrophobicContact CG2-CD1 4.18Å; I235-L239 HydrophobicContact CG2-CG 4.41Å; I235-L239 WeakPolarHBondContact O-CG 3.31Å; I235-L239 PolarHBondContact O-N 3.26Å |
| 236 | W | 94.4 | Very high | 81.8 | Confident | 57 Ų | 57 | 68 Ų | 68 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 178.7 | -176 | -118.3 | 0 | 0 | 0 | 112 | L97 L117 T119 V124 L126 T232 V233 L238 L239 L240 | L97-W236 HydrophobicContact CD1-CE3 4.11Å; L97-W236 HydrophobicContact CD2-CB 3.89Å; L97-W236 HydrophobicContact CD2-CE3 4.33Å; L97-W236 HydrophobicContact CD2-CG 4.38Å; L117-W236 HydrophobicContact CB-CH2 3.89Å; L117-W236 HydrophobicContact CB-CZ2 4.28Å; L117-W236 HydrophobicContact CD1-CE3 4.42Å; L117-W236 HydrophobicContact CD1-CH2 3.59Å; L117-W236 HydrophobicContact CD1-CZ2 4.21Å; L117-W236 HydrophobicContact CD1-CZ3 3.71Å; L117-W236 HydrophobicContact CG-CH2 4.38Å; T119-W236 HydrophobicContact CG2-CZ2 4.24Å; V124-W236 HydrophobicContact CB-CH2 3.89Å; V124-W236 HydrophobicContact CB-CZ3 4.48Å; V124-W236 HydrophobicContact CG1-CH2 4.07Å; V124-W236 HydrophobicContact CG1-CZ3 4.16Å; V124-W236 HydrophobicContact CG2-CH2 3.86Å; L126-W236 HydrophobicContact CD2-CZ3 4.43Å; T232-W236 WeakPolarHBondContact O-CB 3.48Å; T232-W236 PolarHBondContact O-N 3.41Å; V233-W236 PolarHBondContact O-N 3.3Å; W236-L238 PolarHBondContact O-N 3.41Å; W236-L239 HydrophobicContact CE3-CD1 4.19Å; W236-L239 PolarHBondContact O-N 2.91Å; W236-L240 HydrophobicContact CH2-CD2 4.28Å; W236-L240 HydrophobicContact CZ2-CD2 3.81Å; W236-L240 HydrophobicContact CZ2-CG 4.35Å; W236-L240 WeakPolarHBondContact O-CG 3.43Å; W236-L240 PolarHBondContact O-N 3.12Å |
| 237 | K | 93.9 | Very high | 83.5 | Confident | 131 Ų | 131 | 66.6 Ų | 66.6 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.1 | -46 | 176.5 | -173.7 | -178.5 | 175.1 | -169 | 0 | 112 | V233 H234 I235 L239 L240 E241 | V233-K237 WeakPolarHBondContact O-CB 3.27Å; V233-K237 PolarHBondContact O-N 2.78Å; H234-K237 PolarHBondContact O-N 3.43Å; I235-K237 VanDerWaalsContact C-N 3.34Å; I235-K237 PolarHBondContact O-N 3.49Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-L239 PolarHBondContact O-N 3.4Å; K237-L240 PolarHBondContact O-N 2.87Å; K237-E241 VanDerWaalsContact CE-OE1 3.24Å; K237-E241 WeakPolarHBondContact CE-OE1 3.25Å; K237-E241 WeakPolarHBondContact O-CG 3.45Å; K237-E241 PolarHBondContact O-N 3.07Å |
| 238 | L | 95.7 | Very high | 85.3 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 175.8 | 176.2 | 64.8 | 0 | 0 | 0 | 111.6 | V181 F214 L216 H234 I235 W236 L240 E241 L242 | V181-L238 HydrophobicContact CG1-CD2 4.15Å; V181-L238 HydrophobicContact CG2-CD2 3.93Å; V181-L238 HydrophobicContact CG2-CG 4.49Å; F214-L238 HydrophobicContact CB-CD2 3.69Å; F214-L238 HydrophobicContact CD1-CD1 4.09Å; F214-L238 HydrophobicContact CD1-CD2 3.93Å; F214-L238 HydrophobicContact CD2-CD1 4.45Å; F214-L238 HydrophobicContact CD2-CD2 4.02Å; F214-L238 HydrophobicContact CE1-CD1 3.96Å; F214-L238 HydrophobicContact CE2-CD1 4.33Å; F214-L238 HydrophobicContact CG-CD1 4.34Å; F214-L238 HydrophobicContact CG-CD2 3.6Å; F214-L238 HydrophobicContact CZ-CD1 4.08Å; L216-L238 HydrophobicContact CD1-CD2 3.65Å; L216-L238 HydrophobicContact CG-CD2 4.43Å; H234-L238 PolarHBondContact O-N 2.95Å; I235-L238 PolarHBondContact O-N 3.06Å; W236-L238 PolarHBondContact O-N 3.41Å; L238-L240 VanDerWaalsContact C-N 3.32Å; L238-L240 PolarHBondContact O-N 2.9Å; L238-E241 PolarHBondContact O-N 3.29Å; L238-L242 HydrophobicContact CD1-CD1 4.26Å; L238-L242 HydrophobicContact CD1-CG 4.22Å; L238-L242 HydrophobicContact CG-CD1 4.07Å; L238-L242 HydrophobicContact CG-CG 4.44Å; L238-L242 WeakPolarHBondContact O-CG 3.34Å; L238-L242 PolarHBondContact O-N 3.2Å |
| 239 | L | 96.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 176.2 | -71.3 | 174.2 | 0 | 0 | 0 | 111.1 | V80 F93 V148 V150 V181 I235 W236 K237 E241 L242 L243 | V80-L239 HydrophobicContact CG1-CD2 4.27Å; F93-L239 HydrophobicContact CZ-CD1 4.49Å; V148-L239 HydrophobicContact CB-CD2 4.44Å; V148-L239 HydrophobicContact CG1-CD2 3.79Å; V150-L239 HydrophobicContact CG2-CD1 4.21Å; V150-L239 HydrophobicContact CG2-CD2 3.72Å; V181-L239 HydrophobicContact CG2-CD2 4.23Å; I235-L239 HydrophobicContact CG2-CD1 4.18Å; I235-L239 HydrophobicContact CG2-CG 4.41Å; I235-L239 WeakPolarHBondContact O-CG 3.31Å; I235-L239 PolarHBondContact O-N 3.26Å; W236-L239 HydrophobicContact CE3-CD1 4.19Å; W236-L239 PolarHBondContact O-N 2.91Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-L239 PolarHBondContact O-N 3.4Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 PolarHBondContact O-N 3.09Å; L239-L242 PolarHBondContact O-N 3.2Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 3.36Å |
| 240 | L | 95.3 | Very high | 89.3 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 175.7 | -65.1 | 179.8 | 0 | 0 | 0 | 112.3 | T119 F122 V124 W236 K237 L238 L242 L243 S244 | T119-L240 HydrophobicContact CG2-CD2 3.68Å; F122-L240 HydrophobicContact CE2-CD2 4.04Å; F122-L240 HydrophobicContact CZ-CD2 3.89Å; V124-L240 HydrophobicContact CG2-CD2 4.5Å; W236-L240 HydrophobicContact CH2-CD2 4.28Å; W236-L240 HydrophobicContact CZ2-CD2 3.81Å; W236-L240 HydrophobicContact CZ2-CG 4.35Å; W236-L240 WeakPolarHBondContact O-CG 3.43Å; W236-L240 PolarHBondContact O-N 3.12Å; K237-L240 PolarHBondContact O-N 2.87Å; L238-L240 VanDerWaalsContact C-N 3.32Å; L238-L240 PolarHBondContact O-N 2.9Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L243 PolarHBondContact O-N 3.45Å; L240-S244 WeakPolarHBondContact O-CB 3.44Å; L240-S244 PolarHBondContact O-N 3.05Å; L240-S244 VanDerWaalsContact O-N 3.13Å; L240-S244 PolarHBondContact O-OG 2.89Å |
| 241 | E | 95.6 | Very high | 91.3 | Very high | 113 Ų | 113 | 54 Ų | 54 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 176.1 | -72 | 171.9 | -172.4 | 0 | 0 | 112.6 | K237 L238 L239 | K237-E241 VanDerWaalsContact CE-OE1 3.24Å; K237-E241 WeakPolarHBondContact CE-OE1 3.25Å; K237-E241 WeakPolarHBondContact O-CG 3.45Å; K237-E241 PolarHBondContact O-N 3.07Å; L238-E241 PolarHBondContact O-N 3.29Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 PolarHBondContact O-N 3.09Å |
| 242 | L | 94.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 57 Ų | 57 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.2 | -24.3 | 177.5 | -67.4 | 172.8 | 0 | 0 | 0 | 113.5 | V148 V181 F214 L238 L239 L240 | V148-L242 HydrophobicContact CG1-CD1 4.27Å; V148-L242 HydrophobicContact CG2-CB 3.87Å; V148-L242 HydrophobicContact CG2-CD1 4.37Å; V181-L242 HydrophobicContact CG2-CD1 3.72Å; F214-L242 HydrophobicContact CD2-CD1 4.14Å; F214-L242 HydrophobicContact CE2-CD1 3.89Å; F214-L242 HydrophobicContact CE2-CD2 3.7Å; F214-L242 HydrophobicContact CE2-CG 4.32Å; F214-L242 HydrophobicContact CZ-CD2 4.08Å; L238-L242 HydrophobicContact CD1-CD1 4.26Å; L238-L242 HydrophobicContact CD1-CG 4.22Å; L238-L242 HydrophobicContact CG-CD1 4.07Å; L238-L242 HydrophobicContact CG-CG 4.44Å; L238-L242 WeakPolarHBondContact O-CG 3.34Å; L238-L242 PolarHBondContact O-N 3.2Å; L239-L242 PolarHBondContact O-N 3.2Å; L240-L242 VanDerWaalsContact C-N 3.34Å |
| 243 | L | 94.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -94.8 | -9.4 | -177.4 | -65.8 | 176.1 | 0 | 0 | 0 | 113.9 | R78 V80 F122 V124 D147 V148 L239 L240 | R78-L243 HydrophobicContact CB-CB 4.4Å; R78-L243 HydrophobicContact CB-CD1 4.08Å; R78-L243 HydrophobicContact CB-CD2 4Å; R78-L243 HydrophobicContact CB-CG 4.37Å; R78-L243 HydrophobicContact CG-CB 4.3Å; V80-L243 HydrophobicContact CG2-CD1 3.74Å; V80-L243 HydrophobicContact CG2-CD2 4.31Å; F122-L243 HydrophobicContact CE2-CB 3.8Å; F122-L243 HydrophobicContact CE2-CD1 4.13Å; F122-L243 HydrophobicContact CZ-CB 3.78Å; V124-L243 HydrophobicContact CG1-CD1 3.98Å; V124-L243 HydrophobicContact CG2-CD1 3.79Å; D147-L243 HydrophobicContact CB-CD2 3.42Å; D147-L243 VanDerWaalsContact CB-CD2 3.42Å; V148-L243 HydrophobicContact CG2-CD2 3.71Å; V148-L243 HydrophobicContact CG2-CG 4.34Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 3.36Å; L240-L243 PolarHBondContact O-N 3.45Å |
| 244 | S | 89.3 | Confident | 94 | Very high | 129 Ų | 129 | 59 Ų | 59 | 90% | 0.902 | 30% | 0.299 | S | S | * | . | trans | -89 | 0 | 178.9 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L240 | L240-S244 WeakPolarHBondContact O-CB 3.44Å; L240-S244 PolarHBondContact O-N 3.05Å; L240-S244 VanDerWaalsContact O-N 3.13Å; L240-S244 PolarHBondContact O-OG 2.89Å |
Retrieved 244 of 244 residues in 69.4 ms
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