| 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 | K | 53.4 | Low | 73.2 | Confident | 248 Ų | 248 | 164 Ų | 164 | 100% | 1.078 | 77% | 0.773 | S | S | * | * | 0 | 93.8 | 0 | -160.3 | 169.5 | -174.1 | 172.2 | 0 | 107.3 | S3 | K1-S3 PolarHBondContact O-N 3.46Š| |||
| 2 | W | 58.4 | Low | 74.3 | Confident | 231 Ų | 231 | 163.2 Ų | 163.2 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -68.9 | 108.4 | 169.4 | 143.3 | -74.9 | 0 | 0 | 0 | 105.4 | K4 | W2-K4 HydrophobicContact CZ2-CG 4.26Š| ||
| 3 | S | 70.6 | Confident | 75.4 | Confident | 86 Ų | 86 | 154.9 Ų | 154.9 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | trans | -109 | 125.2 | 169.9 | 50.7 | 0 | 0 | 0 | 0 | 107 | K1 G5 | K1-S3 PolarHBondContact O-N 3.46Å; S3-G5 PolarHBondContact O-N 3.26Å | ||
| 4 | K | 69.7 | Low | 76.4 | Confident | 201 Ų | 201 | 148.8 Ų | 148.8 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -68.5 | 56.2 | 172.3 | -115.3 | -171.7 | -179.8 | -176.8 | 0 | 110.4 | W2 | W2-K4 HydrophobicContact CZ2-CG 4.26Š| ||
| 5 | G | 79.4 | Confident | 77.3 | Confident | 43 Ų | 43 | 144.8 Ų | 144.8 | 44% | 0.443 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -121.5 | 160.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S3 V7 | S3-G5 PolarHBondContact O-N 3.26Å; G5-V7 WeakPolarHBondContact O-CG2 2.97Å; G5-V7 PolarHBondContact O-N 3.29Å |
| 6 | K | 72.8 | Confident | 78.1 | Confident | 221 Ų | 221 | 144.1 Ų | 144.1 | 96% | 0.961 | 70% | 0.702 | S | S | * | * | trans | -55.1 | 103.1 | 179.1 | -165.7 | 173.3 | -173.6 | 175.8 | 0 | 110 | R8 | K6-R8 PolarHBondContact O-N 2.77Š| ||
| 7 | V | 77.2 | Confident | 78.7 | Confident | 117 Ų | 117 | 138.8 Ų | 138.8 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 119 | 177 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | G5 | G5-V7 WeakPolarHBondContact O-CG2 2.97Å; G5-V7 PolarHBondContact O-N 3.29Å |
| 8 | R | 76.4 | Confident | 79.4 | Confident | 216 Ų | 216 | 136.3 Ų | 136.3 | 82% | 0.815 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 124.3 | 167.1 | -176.2 | 173.8 | 178.8 | 167.5 | -0.1 | 107.4 | K6 | K6-R8 PolarHBondContact O-N 2.77Š|
| 9 | D | 82.5 | Confident | 79.9 | Confident | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 142.3 | 178.7 | -76.4 | -53.2 | 0 | 0 | 0 | 111.8 | L11 | D9-L11 PolarHBondContact O-N 2.87Š|
| 10 | K | 82.2 | Confident | 80.5 | Confident | 202 Ų | 202 | 133.9 Ų | 133.9 | 88% | 0.878 | 66% | 0.659 | S | S | * | * | trans | -69.1 | 115.1 | 179.9 | -172.2 | 176.9 | -179.2 | -177.8 | 0 | 108.7 | N12 | K10-N12 PolarHBondContact O-N 2.89Š| ||
| 11 | L | 82.3 | Confident | 80.9 | Confident | 100 Ų | 100 | 128.4 Ų | 128.4 | 52% | 0.524 | 63% | 0.633 | S | S | . | * | trans | -64.6 | 127.7 | 173.3 | -66 | 173.3 | 0 | 0 | 0 | 109.8 | D9 N13 | D9-L11 PolarHBondContact O-N 2.87Å; L11-N13 PolarHBondContact O-N 3.18Å | ||
| 12 | N | 86.7 | Confident | 82.6 | Confident | 154 Ų | 154 | 119.6 Ų | 119.6 | 82% | 0.824 | 59% | 0.594 | S | S | * | * | trans | -87.9 | 92.1 | 175.6 | -165.1 | 6.4 | 0 | 0 | 0 | 109.7 | K10 | K10-N12 PolarHBondContact O-N 2.89Š| ||
| 13 | N | 89.1 | Confident | 84.2 | Confident | 56 Ų | 56 | 111.6 Ų | 111.6 | 30% | 0.299 | 57% | 0.568 | S | S | . | * | trans | -87 | 135.3 | 177.6 | -63.7 | -42.8 | 0 | 0 | 0 | 110.5 | L11 K45 | L11-N13 PolarHBondContact O-N 3.18Å; N13-K45 CarbonylContact C-O 3.41Å; N13-K45 VanDerWaalsContact CA-O 3.3Å; N13-K45 WeakPolarHBondContact CA-O 3.39Å | ||
| 14 | L | 89.4 | Confident | 85.1 | Confident | 69 Ų | 69 | 112.9 Ų | 112.9 | 36% | 0.361 | 56% | 0.563 | S | S | . | * | B | Isolated β-bridge | trans | -64.2 | 139.3 | 176.7 | -61.5 | 173.4 | 0 | 0 | 0 | 110.9 | T21 K45 I46 R47 | L14-T21 HydrophobicContact CD1-CG2 4.03Å; L14-K45 PolarHBondContact N-O 2.94Å; L14-I46 HydrophobicContact CB-CG2 4.49Å; L14-R47 PolarHBondContact O-N 3.28Å |
| 15 | V | 89.2 | Confident | 86.1 | Confident | 89 Ų | 89 | 103.3 Ų | 103.3 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -101.5 | -18.8 | -179.2 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 16 | L | 90.3 | Very high | 86.6 | Confident | 134 Ų | 134 | 103 Ų | 103 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -123.6 | 154.6 | 176 | -63.4 | 173.6 | 0 | 0 | 0 | 109.4 | ||
| 17 | F | 88.2 | Confident | 87.4 | Confident | 54 Ų | 54 | 99.9 Ų | 99.9 | 24% | 0.237 | 50% | 0.498 | C | S | . | . | trans | -83.5 | 130.2 | 170.3 | -75 | -62.6 | 0 | 0 | 0 | 110.3 | Y22 L25 I46 L50 A54 | F17-Y22 HydrophobicContact CD2-CD2 4.41Å; F17-Y22 HydrophobicContact CG-CD2 4.4Å; F17-L25 HydrophobicContact CE1-CD2 4.47Å; F17-L25 HydrophobicContact CZ-CD2 4.17Å; F17-I46 HydrophobicContact CE1-CD1 3.79Å; F17-I46 HydrophobicContact CE1-CG2 4.07Å; F17-I46 HydrophobicContact CZ-CD1 3.83Å; F17-L50 HydrophobicContact CD1-CD2 4.07Å; F17-L50 HydrophobicContact CD2-CD1 3.72Å; F17-L50 HydrophobicContact CD2-CD2 3.9Å; F17-L50 HydrophobicContact CD2-CG 3.95Å; F17-L50 HydrophobicContact CE1-CD2 3.96Å; F17-L50 HydrophobicContact CE1-CG 4.25Å; F17-L50 HydrophobicContact CE2-CD1 3.45Å; F17-L50 VanDerWaalsContact CE2-CD1 3.45Å; F17-L50 HydrophobicContact CE2-CD2 3.79Å; F17-L50 HydrophobicContact CE2-CG 3.42Å; F17-L50 VanDerWaalsContact CE2-CG 3.42Å; F17-L50 HydrophobicContact CG-CD2 4.03Å; F17-L50 HydrophobicContact CZ-CD1 4.16Å; F17-L50 HydrophobicContact CZ-CD2 3.8Å; F17-L50 HydrophobicContact CZ-CG 3.58Å; F17-A54 HydrophobicContact CE2-CB 3.89Å; F17-A54 HydrophobicContact CZ-CB 3.63Å | ||
| 18 | D | 90.6 | Very high | 88 | Confident | 93 Ų | 93 | 97.9 Ų | 97.9 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | trans | -87.9 | 156.2 | 160.2 | -53.4 | -36.1 | 0 | 0 | 0 | 108.9 | A20 T21 Y22 | D18-A20 PolarHBondContact O-N 3.04Å; D18-A20 VanDerWaalsContact O-N 3.14Å; D18-T21 HydrophobicContact CB-CG2 4.4Å; D18-T21 PolarHBondContact N-OG1 2.93Å; D18-T21 PolarHBondContact O-N 3.13Å; D18-T21 PolarHBondContact O-OG1 3.29Å; D18-Y22 PolarHBondContact O-N 2.83Å | ||
| 19 | K | 89.4 | Confident | 88.6 | Confident | 161 Ų | 161 | 87.6 Ų | 87.6 | 70% | 0.7 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -50.3 | -45.2 | 179 | -172.5 | 179.6 | -176.7 | -60.4 | 0 | 112.6 | T21 Y22 D23 | K19-T21 VanDerWaalsContact C-N 3.34Å; K19-T21 PolarHBondContact O-N 3.11Å; K19-Y22 PolarHBondContact O-N 3.01Å; K19-D23 IonicContact NZ-OD2 2.94Å; K19-D23 PolarHBondContact NZ-OD2 3.12Å; K19-D23 WeakPolarHBondContact O-CB 3.47Å; K19-D23 VanDerWaalsContact O-CG 3.23Å; K19-D23 PolarHBondContact O-N 2.91Å |
| 20 | A | 91.4 | Very high | 89 | Confident | 63 Ų | 63 | 82.1 Ų | 82.1 | 52% | 0.521 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D18 K24 | D18-A20 PolarHBondContact O-N 3.04Å; D18-A20 VanDerWaalsContact O-N 3.14Å; A20-K24 WeakPolarHBondContact O-CG 3.47Å; A20-K24 PolarHBondContact O-N 3.17Å |
| 21 | T | 89 | Confident | 89.3 | Confident | 19 Ų | 19 | 78.1 Ų | 78.1 | 12% | 0.117 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74 | -35.1 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | L14 D18 K19 K24 L25 | L14-T21 HydrophobicContact CD1-CG2 4.03Å; D18-T21 HydrophobicContact CB-CG2 4.4Å; D18-T21 PolarHBondContact N-OG1 2.93Å; D18-T21 PolarHBondContact O-N 3.13Å; D18-T21 PolarHBondContact O-OG1 3.29Å; K19-T21 VanDerWaalsContact C-N 3.34Å; K19-T21 PolarHBondContact O-N 3.11Å; T21-K24 PolarHBondContact O-N 3.38Å; T21-L25 PolarHBondContact O-N 3.38Å |
| 22 | Y | 90.8 | Very high | 89.7 | Confident | 64 Ų | 64 | 75.4 Ų | 75.4 | 25% | 0.251 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 175.4 | -173.1 | -97.5 | 0 | 0 | 0 | 111.7 | F17 D18 K19 K24 L25 C26 E57 K61 | F17-Y22 HydrophobicContact CD2-CD2 4.41Å; F17-Y22 HydrophobicContact CG-CD2 4.4Å; D18-Y22 PolarHBondContact O-N 2.83Å; K19-Y22 PolarHBondContact O-N 3.01Å; Y22-K24 VanDerWaalsContact C-N 3.26Å; Y22-K24 PolarHBondContact O-N 3.4Å; Y22-L25 HydrophobicContact CD2-CD2 4.49Å; Y22-L25 WeakPolarHBondContact O-CB 3.29Å; Y22-L25 PolarHBondContact O-N 3.08Å; Y22-C26 PolarHBondContact O-N 3.5Å; Y22-C26 VanDerWaalsContact O-N 3.08Å; Y22-C26 PolarHBondContact O-SG 3.4Å; Y22-E57 PolarHBondContact OH-OE1 2.96Å; Y22-K61 PolarHBondContact OH-NZ 2.88Å |
| 23 | D | 90.9 | Very high | 89.9 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 33% | 0.332 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 175.6 | -69.3 | -21.8 | 0 | 0 | 0 | 111.3 | K19 K27 | K19-D23 IonicContact NZ-OD2 2.94Å; K19-D23 PolarHBondContact NZ-OD2 3.12Å; K19-D23 WeakPolarHBondContact O-CB 3.47Å; K19-D23 VanDerWaalsContact O-CG 3.23Å; K19-D23 PolarHBondContact O-N 2.91Å; D23-K27 WeakPolarHBondContact O-CG 3.5Å; D23-K27 PolarHBondContact O-N 2.93Å |
| 24 | K | 90.4 | Very high | 90 | Very high | 113 Ų | 113 | 78.6 Ų | 78.6 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 172.9 | -74.7 | 176.1 | -176.5 | -178.6 | 0 | 112.4 | A20 T21 Y22 C26 K27 E28 L44 | A20-K24 WeakPolarHBondContact O-CG 3.47Å; A20-K24 PolarHBondContact O-N 3.17Å; T21-K24 PolarHBondContact O-N 3.38Å; Y22-K24 VanDerWaalsContact C-N 3.26Å; Y22-K24 PolarHBondContact O-N 3.4Å; K24-C26 VanDerWaalsContact C-N 3.34Å; K24-C26 PolarHBondContact O-N 3.26Å; K24-K27 PolarHBondContact O-N 2.85Å; K24-E28 VanDerWaalsContact O-CB 3.3Å; K24-E28 WeakPolarHBondContact O-CB 3.26Å; K24-E28 WeakPolarHBondContact O-CG 3.44Å; K24-E28 PolarHBondContact O-N 3.08Å; K24-L44 HydrophobicContact CB-CD2 3.96Å |
| 25 | L | 90.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -53.9 | -51.1 | 177.8 | 178 | 89.1 | 0 | 0 | 0 | 110.9 | F17 T21 Y22 K27 V29 V40 L44 A54 L58 | F17-L25 HydrophobicContact CE1-CD2 4.47Å; F17-L25 HydrophobicContact CZ-CD2 4.17Å; T21-L25 PolarHBondContact O-N 3.38Å; Y22-L25 HydrophobicContact CD2-CD2 4.49Å; Y22-L25 WeakPolarHBondContact O-CB 3.29Å; Y22-L25 PolarHBondContact O-N 3.08Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 3.3Å; L25-V29 HydrophobicContact CD1-CG2 3.61Å; L25-V29 HydrophobicContact CG-CG2 4.12Å; L25-V29 VanDerWaalsContact O-CB 3.24Å; L25-V29 WeakPolarHBondContact O-CB 3.33Å; L25-V29 WeakPolarHBondContact O-CG2 3.24Å; L25-V29 PolarHBondContact O-N 3.15Å; L25-V29 VanDerWaalsContact O-N 3.08Å; L25-V40 HydrophobicContact CD1-CG1 4.09Å; L25-L44 HydrophobicContact CB-CD1 4.09Å; L25-L44 HydrophobicContact CD1-CD1 3.49Å; L25-L44 VanDerWaalsContact CD1-CD1 3.49Å; L25-L44 HydrophobicContact CG-CD1 4.4Å; L25-A54 HydrophobicContact CD1-CB 4.21Å; L25-A54 HydrophobicContact CD2-CB 3.73Å; L25-L58 HydrophobicContact CD1-CD1 4.48Å; L25-L58 HydrophobicContact CD2-CD1 4.33Å; L25-L58 HydrophobicContact CG-CD1 4.17Å |
| 26 | C | 89.8 | Confident | 90.6 | Very high | 36 Ų | 36 | 71.6 Ų | 71.6 | 24% | 0.243 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -31.1 | -176.6 | -69.5 | 0 | 0 | 0 | 0 | 113.5 | Y22 K24 P30 | Y22-C26 PolarHBondContact O-N 3.5Å; Y22-C26 VanDerWaalsContact O-N 3.08Å; Y22-C26 PolarHBondContact O-SG 3.4Å; K24-C26 VanDerWaalsContact C-N 3.34Å; K24-C26 PolarHBondContact O-N 3.26Å; C26-P30 WeakPolarHBondContact O-CD 3.45Å; C26-P30 WeakPolarHBondContact O-CG 3.48Å |
| 27 | K | 89.4 | Confident | 90.7 | Very high | 155 Ų | 155 | 66 Ų | 66 | 67% | 0.674 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -89.3 | -42.6 | -179.1 | -66.6 | 178.1 | -176 | 179.5 | 0 | 112.9 | D23 K24 L25 N31 | D23-K27 WeakPolarHBondContact O-CG 3.5Å; D23-K27 PolarHBondContact O-N 2.93Å; K24-K27 PolarHBondContact O-N 2.85Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 3.3Å; K27-N31 PolarHBondContact O-ND2 3.14Å |
| 28 | E | 89.9 | Confident | 90.9 | Very high | 75 Ų | 75 | 66.5 Ų | 66.5 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -85.8 | -39.5 | -171.1 | -66.6 | -177.5 | -173.6 | 0 | 0 | 112.8 | K24 N31 Y32 | K24-E28 VanDerWaalsContact O-CB 3.3Å; K24-E28 WeakPolarHBondContact O-CB 3.26Å; K24-E28 WeakPolarHBondContact O-CG 3.44Å; K24-E28 PolarHBondContact O-N 3.08Å; E28-N31 WeakPolarHBondContact O-CB 3.46Å; E28-N31 PolarHBondContact O-N 3.1Å; E28-N31 VanDerWaalsContact O-N 3.13Å; E28-Y32 HydrophobicContact CB-CE2 4.31Å; E28-Y32 PolarHBondContact OE2-OH 3.44Å; E28-Y32 VanDerWaalsContact OE2-OH 3.12Å |
| 29 | V | 89.8 | Confident | 91 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -62.3 | -44.1 | -173.9 | 175 | 0 | 0 | 0 | 0 | 113 | L25 N31 Y32 I35 V40 L44 L55 L58 I64 | L25-V29 HydrophobicContact CD1-CG2 3.61Å; L25-V29 HydrophobicContact CG-CG2 4.12Å; L25-V29 VanDerWaalsContact O-CB 3.24Å; L25-V29 WeakPolarHBondContact O-CB 3.33Å; L25-V29 WeakPolarHBondContact O-CG2 3.24Å; L25-V29 PolarHBondContact O-N 3.15Å; L25-V29 VanDerWaalsContact O-N 3.08Å; V29-N31 PolarHBondContact O-N 3.17Å; V29-Y32 HydrophobicContact CB-CD2 4.49Å; V29-Y32 HydrophobicContact CG2-CD2 4.5Å; V29-Y32 HydrophobicContact CG2-CE2 4.24Å; V29-Y32 PolarHBondContact O-N 2.85Å; V29-I35 HydrophobicContact CG1-CD1 4.12Å; V29-I35 HydrophobicContact CG1-CG1 4.34Å; V29-I35 HydrophobicContact CG1-CG2 3.77Å; V29-I35 WeakPolarHBondContact O-CD1 3.2Å; V29-V40 HydrophobicContact CG2-CG2 4.44Å; V29-L44 HydrophobicContact CG2-CD1 4.22Å; V29-L55 HydrophobicContact CG1-CD2 3.99Å; V29-L58 HydrophobicContact CB-CD1 3.93Å; V29-L58 HydrophobicContact CG1-CD1 3.67Å; V29-I64 HydrophobicContact CG1-CG2 4.49Å |
| 30 | P | 90.3 | Very high | 91.2 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 16% | 0.156 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -64.9 | -17.6 | 177.9 | -23.5 | 36.4 | 0 | 0 | 0 | 114.1 | C26 L63 R78 | C26-P30 WeakPolarHBondContact O-CD 3.45Å; C26-P30 WeakPolarHBondContact O-CG 3.48Å; P30-L63 HydrophobicContact CG-CB 4.1Å; P30-R78 WeakPolarHBondContact O-CB 3.44Å |
| 31 | N | 89.1 | Confident | 91.2 | Very high | 119 Ų | 119 | 54.5 Ų | 54.5 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -81 | -19.5 | 178.4 | -69.4 | -27.1 | 0 | 0 | 0 | 112.9 | K27 E28 V29 | K27-N31 PolarHBondContact O-ND2 3.14Å; E28-N31 WeakPolarHBondContact O-CB 3.46Å; E28-N31 PolarHBondContact O-N 3.1Å; E28-N31 VanDerWaalsContact O-N 3.13Å; V29-N31 PolarHBondContact O-N 3.17Å |
| 32 | Y | 90.4 | Very high | 91.3 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | trans | -72.8 | 137.8 | -176.9 | -58.9 | -38.7 | 0 | 0 | 0 | 112.2 | E28 V29 R43 | E28-Y32 HydrophobicContact CB-CE2 4.31Å; E28-Y32 PolarHBondContact OE2-OH 3.44Å; E28-Y32 VanDerWaalsContact OE2-OH 3.12Å; V29-Y32 HydrophobicContact CB-CD2 4.49Å; V29-Y32 HydrophobicContact CG2-CD2 4.5Å; V29-Y32 HydrophobicContact CG2-CE2 4.24Å; V29-Y32 PolarHBondContact O-N 2.85Å; Y32-R43 WeakPolarHBondContact OH-CD 3.35Å | ||
| 33 | K | 90.4 | Very high | 91.2 | Very high | 177 Ų | 177 | 64.4 Ų | 64.4 | 77% | 0.77 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -68.3 | -41 | 174.9 | -172.7 | 176.3 | -179.9 | 179.9 | 0 | 112 | ||
| 34 | L | 91.9 | Very high | 91.2 | Very high | 100 Ų | 100 | 62.3 Ų | 62.3 | 52% | 0.524 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -117.6 | 119.4 | 178.6 | 177 | 64.8 | 0 | 0 | 0 | 109.3 | T36 I75 | L34-T36 HydrophobicContact CD1-CG2 4.07Å; L34-T36 HydrophobicContact CG-CG2 4.29Å; L34-I75 HydrophobicContact CD1-CG2 3.88Å |
| 35 | I | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -118.3 | 114.3 | -178.2 | -58.5 | 167.5 | 0 | 0 | 0 | 108.2 | V29 V40 L55 I64 Y76 | V29-I35 HydrophobicContact CG1-CD1 4.12Å; V29-I35 HydrophobicContact CG1-CG1 4.34Å; V29-I35 HydrophobicContact CG1-CG2 3.77Å; V29-I35 WeakPolarHBondContact O-CD1 3.2Å; I35-V40 HydrophobicContact CG2-CG2 4.37Å; I35-L55 HydrophobicContact CG2-CD1 4.33Å; I35-L55 HydrophobicContact CG2-CD2 3.3Å; I35-L55 HydrophobicContact CG2-CG 4.46Å; I35-I64 HydrophobicContact CD1-CB 4.28Å; I35-I64 HydrophobicContact CD1-CG2 3.66Å; I35-Y76 WeakPolarHBondContact CB-O 3.3Å; I35-Y76 PolarHBondContact N-O 3.16Å; I35-Y76 PolarHBondContact O-N 3.19Å |
| 36 | T | 95.1 | Very high | 91.3 | Very high | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | trans | -139 | 156.1 | 175.5 | 63.7 | 0 | 0 | 0 | 0 | 110 | L34 A38 V39 V40 I75 | L34-T36 HydrophobicContact CD1-CG2 4.07Å; L34-T36 HydrophobicContact CG-CG2 4.29Å; T36-A38 PolarHBondContact O-N 3.02Å; T36-A38 VanDerWaalsContact O-N 3.14Å; T36-V39 PolarHBondContact O-N 3.4Å; T36-V39 VanDerWaalsContact O-N 3.16Å; T36-V39 VanDerWaalsContact OG1-CG2 3.29Å; T36-V39 WeakPolarHBondContact OG1-CG2 3.37Å; T36-V39 PolarHBondContact OG1-N 3.38Å; T36-V40 WeakPolarHBondContact O-CG2 3.33Å; T36-V40 PolarHBondContact O-N 2.71Å; T36-I75 HydrophobicContact CG2-CG1 4.25Å; T36-I75 HydrophobicContact CG2-CG2 4.48Å | ||
| 37 | P | 93.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 67.1 Ų | 67.1 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.4 | -33.9 | 178.4 | -26.4 | 33.6 | 0 | 0 | 0 | 113.7 | S41 A51 R52 L55 V74 | P37-S41 WeakPolarHBondContact O-CB 3.4Å; P37-S41 PolarHBondContact O-N 3.2Å; P37-S41 PolarHBondContact O-OG 3.06Å; P37-A51 HydrophobicContact CB-CB 4.49Å; P37-R52 HydrophobicContact CB-CG 3.9Å; P37-R52 HydrophobicContact CG-CG 3.79Å; P37-L55 HydrophobicContact CG-CD1 4.02Å; P37-V74 VanDerWaalsContact CD-O 3.31Å; P37-V74 WeakPolarHBondContact CD-O 3.48Å |
| 38 | A | 92.6 | Very high | 91.6 | Very high | 65 Ų | 65 | 61 Ų | 61 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.4 | -50.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T36 V40 S41 E42 | T36-A38 PolarHBondContact O-N 3.02Å; T36-A38 VanDerWaalsContact O-N 3.14Å; A38-V40 VanDerWaalsContact C-N 3.31Å; A38-V40 PolarHBondContact O-N 3.28Å; A38-S41 PolarHBondContact O-N 3.02Å; A38-S41 PolarHBondContact O-OG 3.16Å; A38-E42 PolarHBondContact O-N 3.47Å |
| 39 | V | 93.3 | Very high | 91.7 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | T36 E42 R43 | T36-V39 PolarHBondContact O-N 3.4Å; T36-V39 VanDerWaalsContact O-N 3.16Å; T36-V39 VanDerWaalsContact OG1-CG2 3.29Å; T36-V39 WeakPolarHBondContact OG1-CG2 3.37Å; T36-V39 PolarHBondContact OG1-N 3.38Å; V39-E42 PolarHBondContact O-N 3.01Å; V39-R43 WeakPolarHBondContact O-CG 3.46Å; V39-R43 PolarHBondContact O-N 3.4Å; V39-R43 VanDerWaalsContact O-N 3.16Å |
| 40 | V | 92.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 177.9 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | L25 V29 I35 T36 A38 E42 R43 L44 I46 A51 L55 | L25-V40 HydrophobicContact CD1-CG1 4.09Å; V29-V40 HydrophobicContact CG2-CG2 4.44Å; I35-V40 HydrophobicContact CG2-CG2 4.37Å; T36-V40 WeakPolarHBondContact O-CG2 3.33Å; T36-V40 PolarHBondContact O-N 2.71Å; A38-V40 VanDerWaalsContact C-N 3.31Å; A38-V40 PolarHBondContact O-N 3.28Å; V40-E42 VanDerWaalsContact C-N 3.31Å; V40-E42 PolarHBondContact O-N 3.01Å; V40-R43 PolarHBondContact O-N 2.99Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 PolarHBondContact O-N 2.95Å; V40-I46 HydrophobicContact CG1-CD1 3.86Å; V40-I46 HydrophobicContact CG1-CG1 4.42Å; V40-A51 HydrophobicContact CB-CB 4.13Å; V40-A51 HydrophobicContact CG1-CB 3.91Å; V40-L55 HydrophobicContact CG2-CD1 4.26Å; V40-L55 HydrophobicContact CG2-CD2 4.19Å; V40-L55 HydrophobicContact CG2-CG 4.48Å |
| 41 | S | 91.7 | Very high | 92 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -34.7 | 177.6 | 68 | 0 | 0 | 0 | 0 | 113.2 | P37 A38 K45 I46 | P37-S41 WeakPolarHBondContact O-CB 3.4Å; P37-S41 PolarHBondContact O-N 3.2Å; P37-S41 PolarHBondContact O-OG 3.06Å; A38-S41 PolarHBondContact O-N 3.02Å; A38-S41 PolarHBondContact O-OG 3.16Å; S41-K45 WeakPolarHBondContact O-CA 3.31Å; S41-K45 PolarHBondContact O-N 3.38Å; S41-I46 WeakPolarHBondContact CA-O 3.49Å; S41-I46 WeakPolarHBondContact CB-O 3.45Å |
| 42 | E | 90.8 | Very high | 92.2 | Very high | 138 Ų | 138 | 62.4 Ų | 62.4 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.9 | -42.5 | 179.2 | -177.8 | 171.4 | -158.5 | 0 | 0 | 112.5 | A38 V39 V40 K45 | A38-E42 PolarHBondContact O-N 3.47Å; V39-E42 PolarHBondContact O-N 3.01Å; V40-E42 VanDerWaalsContact C-N 3.31Å; V40-E42 PolarHBondContact O-N 3.01Å; E42-K45 WeakPolarHBondContact O-CD 3.48Å; E42-K45 WeakPolarHBondContact O-CE 3.41Å; E42-K45 PolarHBondContact O-NZ 3.28Å |
| 43 | R | 89.9 | Confident | 92.3 | Very high | 152 Ų | 152 | 62.8 Ų | 62.8 | 57% | 0.574 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -77.8 | -49.4 | -176 | -68.6 | -175.4 | 179.1 | -89.1 | -4.8 | 112.8 | Y32 V39 V40 | Y32-R43 WeakPolarHBondContact OH-CD 3.35Å; V39-R43 WeakPolarHBondContact O-CG 3.46Å; V39-R43 PolarHBondContact O-N 3.4Å; V39-R43 VanDerWaalsContact O-N 3.16Å; V40-R43 PolarHBondContact O-N 2.99Å |
| 44 | L | 89.9 | Confident | 92.5 | Very high | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -89.7 | -3.2 | -174.7 | -69 | 166.5 | 0 | 0 | 0 | 113.3 | K24 L25 V29 V40 I46 | K24-L44 HydrophobicContact CB-CD2 3.96Å; L25-L44 HydrophobicContact CB-CD1 4.09Å; L25-L44 HydrophobicContact CD1-CD1 3.49Å; L25-L44 VanDerWaalsContact CD1-CD1 3.49Å; L25-L44 HydrophobicContact CG-CD1 4.4Å; V29-L44 HydrophobicContact CG2-CD1 4.22Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 PolarHBondContact O-N 2.95Å; L44-I46 HydrophobicContact CB-CD1 4.49Å; L44-I46 HydrophobicContact CB-CG1 4.21Å; L44-I46 HydrophobicContact CB-CG2 4.15Å; L44-I46 PolarHBondContact O-N 3.27Å |
| 45 | K | 90.8 | Very high | 92.5 | Very high | 106 Ų | 106 | 49.7 Ų | 49.7 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | trans | 54.9 | 36.8 | -177.4 | -53.2 | -56.8 | -177 | -159.7 | 0 | 112.7 | N13 L14 S41 E42 | N13-K45 CarbonylContact C-O 3.41Å; N13-K45 VanDerWaalsContact CA-O 3.3Å; N13-K45 WeakPolarHBondContact CA-O 3.39Å; L14-K45 PolarHBondContact N-O 2.94Å; S41-K45 WeakPolarHBondContact O-CA 3.31Å; S41-K45 PolarHBondContact O-N 3.38Å; E42-K45 WeakPolarHBondContact O-CD 3.48Å; E42-K45 WeakPolarHBondContact O-CE 3.41Å; E42-K45 PolarHBondContact O-NZ 3.28Å | ||
| 46 | I | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -104.1 | 154.9 | 176.2 | 64.2 | 173.1 | 0 | 0 | 0 | 111 | L14 F17 V40 S41 L44 L50 A51 | L14-I46 HydrophobicContact CB-CG2 4.49Å; F17-I46 HydrophobicContact CE1-CD1 3.79Å; F17-I46 HydrophobicContact CE1-CG2 4.07Å; F17-I46 HydrophobicContact CZ-CD1 3.83Å; V40-I46 HydrophobicContact CG1-CD1 3.86Å; V40-I46 HydrophobicContact CG1-CG1 4.42Å; S41-I46 WeakPolarHBondContact CA-O 3.49Å; S41-I46 WeakPolarHBondContact CB-O 3.45Å; L44-I46 HydrophobicContact CB-CD1 4.49Å; L44-I46 HydrophobicContact CB-CG1 4.21Å; L44-I46 HydrophobicContact CB-CG2 4.15Å; L44-I46 PolarHBondContact O-N 3.27Å; I46-L50 HydrophobicContact CB-CD2 4.22Å; I46-L50 HydrophobicContact CG2-CD2 4.35Å; I46-A51 HydrophobicContact CD1-CB 3.9Å; I46-A51 HydrophobicContact CG1-CB 4.21Å |
| 47 | R | 93.6 | Very high | 92.3 | Very high | 144 Ų | 144 | 58.2 Ų | 58.2 | 54% | 0.543 | 30% | 0.295 | S | S | . | . | trans | -64.7 | 143.1 | 176.7 | -163.2 | 169.6 | 179.2 | 125.5 | -3.6 | 110.9 | L14 S49 L50 A51 | L14-R47 PolarHBondContact O-N 3.28Å; R47-S49 PolarHBondContact O-N 2.92Å; R47-L50 WeakPolarHBondContact O-CB 3.39Å; R47-L50 PolarHBondContact O-N 3.22Å; R47-A51 PolarHBondContact O-N 3.44Å | ||
| 48 | G | 92.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 57.6 Ų | 57.6 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.8 | -29 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R52 | G48-R52 WeakPolarHBondContact O-CG 3.37Å; G48-R52 PolarHBondContact O-N 3.49Å; G48-R52 VanDerWaalsContact O-N 3.07Å |
| 49 | S | 92.3 | Very high | 92.1 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 172.3 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | R47 R52 A53 | R47-S49 PolarHBondContact O-N 2.92Å; S49-R52 PolarHBondContact O-N 2.96Å; S49-A53 PolarHBondContact O-N 3.32Å |
| 50 | L | 92.6 | Very high | 91.9 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 177 | -171.9 | 63.9 | 0 | 0 | 0 | 110.9 | F17 I46 R47 R52 A53 A54 | F17-L50 HydrophobicContact CD1-CD2 4.07Å; F17-L50 HydrophobicContact CD2-CD1 3.72Å; F17-L50 HydrophobicContact CD2-CD2 3.9Å; F17-L50 HydrophobicContact CD2-CG 3.95Å; F17-L50 HydrophobicContact CE1-CD2 3.96Å; F17-L50 HydrophobicContact CE1-CG 4.25Å; F17-L50 HydrophobicContact CE2-CD1 3.45Å; F17-L50 VanDerWaalsContact CE2-CD1 3.45Å; F17-L50 HydrophobicContact CE2-CD2 3.79Å; F17-L50 HydrophobicContact CE2-CG 3.42Å; F17-L50 VanDerWaalsContact CE2-CG 3.42Å; F17-L50 HydrophobicContact CG-CD2 4.03Å; F17-L50 HydrophobicContact CZ-CD1 4.16Å; F17-L50 HydrophobicContact CZ-CD2 3.8Å; F17-L50 HydrophobicContact CZ-CG 3.58Å; I46-L50 HydrophobicContact CB-CD2 4.22Å; I46-L50 HydrophobicContact CG2-CD2 4.35Å; R47-L50 WeakPolarHBondContact O-CB 3.39Å; R47-L50 PolarHBondContact O-N 3.22Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 3.18Å; L50-A53 PolarHBondContact O-N 3Å; L50-A54 VanDerWaalsContact O-CB 3.32Å; L50-A54 WeakPolarHBondContact O-CB 3.45Å; L50-A54 PolarHBondContact O-N 3.13Å |
| 51 | A | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P37 V40 I46 R47 L55 | P37-A51 HydrophobicContact CB-CB 4.49Å; V40-A51 HydrophobicContact CB-CB 4.13Å; V40-A51 HydrophobicContact CG1-CB 3.91Å; I46-A51 HydrophobicContact CD1-CB 3.9Å; I46-A51 HydrophobicContact CG1-CB 4.21Å; R47-A51 PolarHBondContact O-N 3.44Å; A51-L55 WeakPolarHBondContact O-CB 3.4Å; A51-L55 VanDerWaalsContact O-CG 3.22Å; A51-L55 WeakPolarHBondContact O-CG 3.37Å; A51-L55 PolarHBondContact O-N 3.5Å |
| 52 | R | 93.1 | Very high | 91.6 | Very high | 145 Ų | 145 | 66.6 Ų | 66.6 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 176.2 | -74.5 | 176.8 | -172.9 | 156.3 | 0.8 | 111.9 | P37 G48 S49 L50 L55 Q56 | P37-R52 HydrophobicContact CB-CG 3.9Å; P37-R52 HydrophobicContact CG-CG 3.79Å; G48-R52 WeakPolarHBondContact O-CG 3.37Å; G48-R52 PolarHBondContact O-N 3.49Å; G48-R52 VanDerWaalsContact O-N 3.07Å; S49-R52 PolarHBondContact O-N 2.96Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 3.18Å; R52-L55 PolarHBondContact O-N 3.41Å; R52-Q56 WeakPolarHBondContact O-CG 3.22Å; R52-Q56 PolarHBondContact O-N 3.08Å; R52-Q56 VanDerWaalsContact O-N 3.13Å |
| 53 | A | 93.5 | Very high | 91.4 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S49 L50 L55 Q56 E57 | S49-A53 PolarHBondContact O-N 3.32Å; L50-A53 PolarHBondContact O-N 3Å; A53-L55 VanDerWaalsContact C-N 3.35Å; A53-L55 PolarHBondContact O-N 2.94Å; A53-Q56 WeakPolarHBondContact O-CB 3.4Å; A53-Q56 PolarHBondContact O-N 3.19Å; A53-Q56 VanDerWaalsContact O-N 3.16Å; A53-E57 PolarHBondContact O-N 3.18Å |
| 54 | A | 93.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F17 L25 L50 Q56 E57 L58 | F17-A54 HydrophobicContact CE2-CB 3.89Å; F17-A54 HydrophobicContact CZ-CB 3.63Å; L25-A54 HydrophobicContact CD1-CB 4.21Å; L25-A54 HydrophobicContact CD2-CB 3.73Å; L50-A54 VanDerWaalsContact O-CB 3.32Å; L50-A54 WeakPolarHBondContact O-CB 3.45Å; L50-A54 PolarHBondContact O-N 3.13Å; A54-Q56 VanDerWaalsContact C-N 3.33Å; A54-E57 PolarHBondContact O-N 3.34Å; A54-L58 WeakPolarHBondContact O-CG 3.37Å; A54-L58 PolarHBondContact O-N 2.97Å |
| 55 | L | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.8 | -33.4 | 176.2 | -71.9 | 173.5 | 0 | 0 | 0 | 112.3 | V29 I35 P37 V40 A51 R52 A53 L58 L59 I64 Y76 | V29-L55 HydrophobicContact CG1-CD2 3.99Å; I35-L55 HydrophobicContact CG2-CD1 4.33Å; I35-L55 HydrophobicContact CG2-CD2 3.3Å; I35-L55 HydrophobicContact CG2-CG 4.46Å; P37-L55 HydrophobicContact CG-CD1 4.02Å; V40-L55 HydrophobicContact CG2-CD1 4.26Å; V40-L55 HydrophobicContact CG2-CD2 4.19Å; V40-L55 HydrophobicContact CG2-CG 4.48Å; A51-L55 WeakPolarHBondContact O-CB 3.4Å; A51-L55 VanDerWaalsContact O-CG 3.22Å; A51-L55 WeakPolarHBondContact O-CG 3.37Å; A51-L55 PolarHBondContact O-N 3.5Å; R52-L55 PolarHBondContact O-N 3.41Å; A53-L55 VanDerWaalsContact C-N 3.35Å; A53-L55 PolarHBondContact O-N 2.94Å; L55-L58 HydrophobicContact CD2-CD1 4.36Å; L55-L59 WeakPolarHBondContact O-CB 3.41Å; L55-L59 PolarHBondContact O-N 3.49Å; L55-I64 HydrophobicContact CB-CD1 4.38Å; L55-I64 HydrophobicContact CD2-CD1 3.73Å; L55-I64 WeakPolarHBondContact O-CD1 3.42Å; L55-Y76 HydrophobicContact CB-CD2 4.27Å; L55-Y76 HydrophobicContact CB-CE2 3.79Å; L55-Y76 HydrophobicContact CD1-CD2 3.99Å; L55-Y76 HydrophobicContact CD1-CE2 3.96Å; L55-Y76 HydrophobicContact CD2-CD2 4.46Å; L55-Y76 HydrophobicContact CG-CD2 4.48Å; L55-Y76 HydrophobicContact CG-CE2 4.39Å |
| 56 | Q | 92.7 | Very high | 91.7 | Very high | 117 Ų | 117 | 59.6 Ų | 59.6 | 55% | 0.547 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 171.4 | -71 | 172.3 | -28.3 | 0 | 0 | 111 | R52 A53 A54 L58 L59 S60 | R52-Q56 WeakPolarHBondContact O-CG 3.22Å; R52-Q56 PolarHBondContact O-N 3.08Å; R52-Q56 VanDerWaalsContact O-N 3.13Å; A53-Q56 WeakPolarHBondContact O-CB 3.4Å; A53-Q56 PolarHBondContact O-N 3.19Å; A53-Q56 VanDerWaalsContact O-N 3.16Å; A54-Q56 VanDerWaalsContact C-N 3.33Å; Q56-L58 PolarHBondContact O-N 2.99Å; Q56-L59 WeakPolarHBondContact O-CB 3.48Å; Q56-L59 PolarHBondContact O-N 3.07Å; Q56-S60 PolarHBondContact O-N 3.29Å; Q56-S60 PolarHBondContact O-OG 3.17Å; Q56-S60 VanDerWaalsContact O-OG 3.13Å |
| 57 | E | 92.3 | Very high | 91.7 | Very high | 74 Ų | 74 | 64 Ų | 64 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 177 | -165.8 | -168.9 | 147.3 | 0 | 0 | 112.4 | Y22 A53 A54 L59 S60 K61 | Y22-E57 PolarHBondContact OH-OE1 2.96Å; A53-E57 PolarHBondContact O-N 3.18Å; A54-E57 PolarHBondContact O-N 3.34Å; E57-L59 VanDerWaalsContact C-N 3.29Å; E57-L59 PolarHBondContact O-N 3.31Å; E57-S60 PolarHBondContact O-N 3.13Å; E57-K61 HydrophobicContact CG-CD 4.46Å; E57-K61 WeakPolarHBondContact O-CG 3.4Å; E57-K61 PolarHBondContact O-N 3.38Å; E57-K61 WeakPolarHBondContact OE1-CE 3.32Å; E57-K61 IonicContact OE1-NZ 2.68Å; E57-K61 PolarHBondContact OE1-NZ 2.91Å |
| 58 | L | 90.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.2 | -33 | 175.8 | -70.7 | 175.6 | 0 | 0 | 0 | 112.6 | L25 V29 A54 L55 Q56 G62 L63 I64 | L25-L58 HydrophobicContact CD1-CD1 4.48Å; L25-L58 HydrophobicContact CD2-CD1 4.33Å; L25-L58 HydrophobicContact CG-CD1 4.17Å; V29-L58 HydrophobicContact CB-CD1 3.93Å; V29-L58 HydrophobicContact CG1-CD1 3.67Å; A54-L58 WeakPolarHBondContact O-CG 3.37Å; A54-L58 PolarHBondContact O-N 2.97Å; L55-L58 HydrophobicContact CD2-CD1 4.36Å; Q56-L58 PolarHBondContact O-N 2.99Å; L58-G62 PolarHBondContact O-N 3.26Å; L58-L63 HydrophobicContact CD2-CB 4.46Å; L58-L63 HydrophobicContact CD2-CD1 3.65Å; L58-L63 PolarHBondContact O-N 3.16Å; L58-L63 VanDerWaalsContact O-N 3.08Å; L58-I64 HydrophobicContact CB-CD1 3.8Å; L58-I64 HydrophobicContact CB-CG1 3.96Å; L58-I64 HydrophobicContact CB-CG2 4.47Å |
| 59 | L | 90.6 | Very high | 91.7 | Very high | 65 Ų | 65 | 66.8 Ų | 66.8 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.5 | -47.4 | 172.7 | -179.9 | 72.7 | 0 | 0 | 0 | 110.4 | L55 Q56 E57 K61 G62 I64 L66 Y76 | L55-L59 WeakPolarHBondContact O-CB 3.41Å; L55-L59 PolarHBondContact O-N 3.49Å; Q56-L59 WeakPolarHBondContact O-CB 3.48Å; Q56-L59 PolarHBondContact O-N 3.07Å; E57-L59 VanDerWaalsContact C-N 3.29Å; E57-L59 PolarHBondContact O-N 3.31Å; L59-K61 PolarHBondContact O-N 3.39Å; L59-G62 PolarHBondContact O-N 3.23Å; L59-I64 HydrophobicContact CB-CG1 4.28Å; L59-I64 WeakPolarHBondContact CD1-O 3.18Å; L59-L66 HydrophobicContact CD1-CB 4.14Å; L59-Y76 HydrophobicContact CB-CE1 4.23Å; L59-Y76 HydrophobicContact CD1-CD1 4.45Å; L59-Y76 HydrophobicContact CD1-CE1 4.25Å; L59-Y76 HydrophobicContact CD2-CE1 4.14Å; L59-Y76 HydrophobicContact CG-CE1 4.44Å |
| 60 | S | 90.4 | Very high | 91.8 | Very high | 110 Ų | 110 | 68 Ų | 68 | 77% | 0.769 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.5 | -31.9 | 177.2 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | Q56 E57 G62 | Q56-S60 PolarHBondContact O-N 3.29Å; Q56-S60 PolarHBondContact O-OG 3.17Å; Q56-S60 VanDerWaalsContact O-OG 3.13Å; E57-S60 PolarHBondContact O-N 3.13Å; S60-G62 VanDerWaalsContact C-N 3.28Å; S60-G62 PolarHBondContact O-N 2.91Å |
| 61 | K | 89 | Confident | 91.6 | Very high | 105 Ų | 105 | 77.6 Ų | 77.6 | 46% | 0.457 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -7.4 | 173.8 | -71.9 | 172.3 | 172 | 174 | 0 | 114.1 | Y22 E57 L59 L63 | Y22-K61 PolarHBondContact OH-NZ 2.88Å; E57-K61 HydrophobicContact CG-CD 4.46Å; E57-K61 WeakPolarHBondContact O-CG 3.4Å; E57-K61 PolarHBondContact O-N 3.38Å; E57-K61 WeakPolarHBondContact OE1-CE 3.32Å; E57-K61 IonicContact OE1-NZ 2.68Å; E57-K61 PolarHBondContact OE1-NZ 2.91Å; L59-K61 PolarHBondContact O-N 3.39Å; K61-L63 VanDerWaalsContact C-N 3.28Å; K61-L63 HydrophobicContact CB-CD1 4.26Å; K61-L63 HydrophobicContact CB-CG 4.17Å; K61-L63 PolarHBondContact O-N 3.02Å |
| 62 | G | 87.4 | Confident | 91.3 | Very high | 39 Ų | 39 | 81.1 Ų | 81.1 | 40% | 0.402 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 12.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L58 L59 S60 N79 | L58-G62 PolarHBondContact O-N 3.26Å; L59-G62 PolarHBondContact O-N 3.23Å; S60-G62 VanDerWaalsContact C-N 3.28Å; S60-G62 PolarHBondContact O-N 2.91Å; G62-N79 PolarHBondContact O-ND2 2.75Å; G62-N79 VanDerWaalsContact O-ND2 3.11Å |
| 63 | L | 87.8 | Confident | 91.1 | Very high | 69 Ų | 69 | 79.6 Ų | 79.6 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -78 | -25.4 | -178.9 | -66.2 | 174.1 | 0 | 0 | 0 | 112.6 | P30 L58 K61 N79 | P30-L63 HydrophobicContact CG-CB 4.1Å; L58-L63 HydrophobicContact CD2-CB 4.46Å; L58-L63 HydrophobicContact CD2-CD1 3.65Å; L58-L63 PolarHBondContact O-N 3.16Å; L58-L63 VanDerWaalsContact O-N 3.08Å; K61-L63 VanDerWaalsContact C-N 3.28Å; K61-L63 HydrophobicContact CB-CD1 4.26Å; K61-L63 HydrophobicContact CB-CG 4.17Å; K61-L63 PolarHBondContact O-N 3.02Å; L63-N79 WeakPolarHBondContact O-CB 3.4Å |
| 64 | I | 91.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 156.8 | 179.4 | 66.9 | 176 | 0 | 0 | 0 | 110.1 | V29 I35 L55 L58 L59 Y76 | V29-I64 HydrophobicContact CG1-CG2 4.49Å; I35-I64 HydrophobicContact CD1-CB 4.28Å; I35-I64 HydrophobicContact CD1-CG2 3.66Å; L55-I64 HydrophobicContact CB-CD1 4.38Å; L55-I64 HydrophobicContact CD2-CD1 3.73Å; L55-I64 WeakPolarHBondContact O-CD1 3.42Å; L58-I64 HydrophobicContact CB-CD1 3.8Å; L58-I64 HydrophobicContact CB-CG1 3.96Å; L58-I64 HydrophobicContact CB-CG2 4.47Å; L59-I64 HydrophobicContact CB-CG1 4.28Å; L59-I64 WeakPolarHBondContact CD1-O 3.18Å; I64-Y76 HydrophobicContact CD1-CD1 3.67Å; I64-Y76 HydrophobicContact CD1-CD2 4.46Å; I64-Y76 HydrophobicContact CD1-CE1 4.21Å; I64-Y76 HydrophobicContact CD1-CG 3.81Å; I64-Y76 HydrophobicContact CG1-CD1 4.12Å |
| 65 | K | 92 | Very high | 91.2 | Very high | 132 Ų | 132 | 80.7 Ų | 80.7 | 57% | 0.574 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 135.7 | 177.8 | -179.2 | 175.4 | 178.9 | 178.6 | 0 | 110.6 | Y76 T77 | K65-Y76 CarbonylContact O-C 3.56Å; K65-Y76 VanDerWaalsContact O-CA 3.26Å; K65-Y76 WeakPolarHBondContact O-CA 3.41Å; K65-T77 HydrophobicContact CB-CG2 3.98Å; K65-T77 PolarHBondContact N-O 3.14Å; K65-T77 PolarHBondContact O-N 2.94Å |
| 66 | L | 93.1 | Very high | 91.3 | Very high | 63 Ų | 63 | 81.4 Ų | 81.4 | 33% | 0.33 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 130.7 | 171 | -176.9 | 69.5 | 0 | 0 | 0 | 110 | L59 K69 V74 Y76 | L59-L66 HydrophobicContact CD1-CB 4.14Å; L66-K69 HydrophobicContact CD1-CB 4.3Å; L66-K69 HydrophobicContact CD2-CB 4.16Å; L66-V74 HydrophobicContact CD1-CG1 3.74Å; L66-Y76 HydrophobicContact CB-CD1 4.21Å; L66-Y76 HydrophobicContact CB-CE1 4.2Å; L66-Y76 HydrophobicContact CD1-CD1 3.97Å; L66-Y76 HydrophobicContact CD1-CE1 3.62Å |
| 67 | V | 92.3 | Very high | 91.3 | Very high | 93 Ų | 93 | 77.8 Ų | 77.8 | 56% | 0.564 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -50.4 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | I75 T77 | V67-I75 HydrophobicContact CB-CG2 4.28Å; V67-I75 PolarHBondContact N-O 3.41Å; V67-T77 HydrophobicContact CG2-CG2 3.47Å; V67-T77 VanDerWaalsContact CG2-CG2 3.47Å |
| 68 | S | 92.8 | Very high | 91.2 | Very high | 60 Ų | 60 | 80 Ų | 80 | 42% | 0.42 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 137.8 | -179.4 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | I75 | S68-I75 PolarHBondContact N-O 2.95Å; S68-I75 PolarHBondContact O-N 2.98Å |
| 69 | K | 93.1 | Very high | 91 | Very high | 169 Ų | 169 | 83.3 Ų | 83.3 | 74% | 0.735 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 110.5 | 177.4 | -174.5 | 179.8 | 177.8 | -173.5 | 0 | 108.7 | L66 | L66-K69 HydrophobicContact CD1-CB 4.3Å; L66-K69 HydrophobicContact CD2-CB 4.16Å |
| 70 | H | 94.1 | Very high | 90.2 | Very high | 96 Ų | 96 | 85.6 Ų | 85.6 | 44% | 0.444 | 45% | 0.446 | S | S | . | . | trans | -123.3 | 154.1 | 170.3 | 177 | -104.8 | 0 | 0 | 0 | 109.3 | A72 Q73 | H70-A72 WeakPolarHBondContact ND1-CB 3.45Å; H70-A72 PolarHBondContact ND1-N 2.68Å; H70-A72 VanDerWaalsContact ND1-N 3.17Å; H70-A72 PolarHBondContact O-N 2.72Å; H70-A72 VanDerWaalsContact O-N 3.1Å; H70-Q73 CarbonylContact C-O 3.54Å; H70-Q73 WeakPolarHBondContact CA-O 3.3Å; H70-Q73 WeakPolarHBondContact CB-O 3.32Å; H70-Q73 PolarHBondContact N-O 3.35Å; H70-Q73 CarbonylContact O-C 3.55Å; H70-Q73 PolarHBondContact O-N 2.59Å; H70-Q73 VanDerWaalsContact O-N 3.15Å | ||
| 71 | R | 88.3 | Confident | 88.9 | Confident | 232 Ų | 232 | 88.3 Ų | 88.3 | 88% | 0.875 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -54.9 | -34.8 | -178.2 | 72.2 | 175.2 | -172.2 | -94.5 | 2.3 | 113.3 | ||
| 72 | A | 87.4 | Confident | 87.2 | Confident | 75 Ų | 75 | 86.6 Ų | 86.6 | 62% | 0.62 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -91.5 | -24.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H70 | H70-A72 WeakPolarHBondContact ND1-CB 3.45Å; H70-A72 PolarHBondContact ND1-N 2.68Å; H70-A72 VanDerWaalsContact ND1-N 3.17Å; H70-A72 PolarHBondContact O-N 2.72Å; H70-A72 VanDerWaalsContact O-N 3.1Å |
| 73 | Q | 89 | Confident | 85.6 | Confident | 112 Ų | 112 | 88.6 Ų | 88.6 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | trans | -149 | 130.3 | -173.1 | -169 | 172.8 | -1.7 | 0 | 0 | 110.9 | H70 I75 | H70-Q73 CarbonylContact C-O 3.54Å; H70-Q73 WeakPolarHBondContact CA-O 3.3Å; H70-Q73 WeakPolarHBondContact CB-O 3.32Å; H70-Q73 PolarHBondContact N-O 3.35Å; H70-Q73 CarbonylContact O-C 3.55Å; H70-Q73 PolarHBondContact O-N 2.59Å; H70-Q73 VanDerWaalsContact O-N 3.15Å; Q73-I75 HydrophobicContact CG-CD1 4.36Å; Q73-I75 HydrophobicContact CG-CG1 3.96Å | ||
| 74 | V | 93.6 | Very high | 83.7 | Confident | 30 Ų | 30 | 92.4 Ų | 92.4 | 18% | 0.182 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.5 | 174.1 | -167.6 | 0 | 0 | 0 | 0 | 107.7 | P37 L66 Y76 | P37-V74 VanDerWaalsContact CD-O 3.31Å; P37-V74 WeakPolarHBondContact CD-O 3.48Å; L66-V74 HydrophobicContact CD1-CG1 3.74Å; V74-Y76 HydrophobicContact CB-CE2 4.09Å; V74-Y76 HydrophobicContact CG1-CD2 4.16Å; V74-Y76 HydrophobicContact CG1-CE1 4.47Å; V74-Y76 HydrophobicContact CG1-CE2 3.34Å |
| 75 | I | 94.3 | Very high | 81.4 | Confident | 45 Ų | 45 | 96.6 Ų | 96.6 | 23% | 0.231 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.9 | -173.9 | -55 | 176 | 0 | 0 | 0 | 108.8 | L34 T36 V67 S68 Q73 | L34-I75 HydrophobicContact CD1-CG2 3.88Å; T36-I75 HydrophobicContact CG2-CG1 4.25Å; T36-I75 HydrophobicContact CG2-CG2 4.48Å; V67-I75 HydrophobicContact CB-CG2 4.28Å; V67-I75 PolarHBondContact N-O 3.41Å; S68-I75 PolarHBondContact N-O 2.95Å; S68-I75 PolarHBondContact O-N 2.98Å; Q73-I75 HydrophobicContact CG-CD1 4.36Å; Q73-I75 HydrophobicContact CG-CG1 3.96Å |
| 76 | Y | 94.7 | Very high | 79.4 | Confident | 16 Ų | 16 | 96.4 Ų | 96.4 | 6% | 0.063 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 160.5 | 175.2 | -57.9 | -92.2 | 0 | 0 | 0 | 110.3 | I35 L55 L59 I64 K65 L66 V74 | I35-Y76 WeakPolarHBondContact CB-O 3.3Å; I35-Y76 PolarHBondContact N-O 3.16Å; I35-Y76 PolarHBondContact O-N 3.19Å; L55-Y76 HydrophobicContact CB-CD2 4.27Å; L55-Y76 HydrophobicContact CB-CE2 3.79Å; L55-Y76 HydrophobicContact CD1-CD2 3.99Å; L55-Y76 HydrophobicContact CD1-CE2 3.96Å; L55-Y76 HydrophobicContact CD2-CD2 4.46Å; L55-Y76 HydrophobicContact CG-CD2 4.48Å; L55-Y76 HydrophobicContact CG-CE2 4.39Å; L59-Y76 HydrophobicContact CB-CE1 4.23Å; L59-Y76 HydrophobicContact CD1-CD1 4.45Å; L59-Y76 HydrophobicContact CD1-CE1 4.25Å; L59-Y76 HydrophobicContact CD2-CE1 4.14Å; L59-Y76 HydrophobicContact CG-CE1 4.44Å; I64-Y76 HydrophobicContact CD1-CD1 3.67Å; I64-Y76 HydrophobicContact CD1-CD2 4.46Å; I64-Y76 HydrophobicContact CD1-CE1 4.21Å; I64-Y76 HydrophobicContact CD1-CG 3.81Å; I64-Y76 HydrophobicContact CG1-CD1 4.12Å; K65-Y76 CarbonylContact O-C 3.56Å; K65-Y76 VanDerWaalsContact O-CA 3.26Å; K65-Y76 WeakPolarHBondContact O-CA 3.41Å; L66-Y76 HydrophobicContact CB-CD1 4.21Å; L66-Y76 HydrophobicContact CB-CE1 4.2Å; L66-Y76 HydrophobicContact CD1-CD1 3.97Å; L66-Y76 HydrophobicContact CD1-CE1 3.62Å; V74-Y76 HydrophobicContact CB-CE2 4.09Å; V74-Y76 HydrophobicContact CG1-CD2 4.16Å; V74-Y76 HydrophobicContact CG1-CE1 4.47Å; V74-Y76 HydrophobicContact CG1-CE2 3.34Å |
| 77 | T | 93.7 | Very high | 77.8 | Confident | 40 Ų | 40 | 98.2 Ų | 98.2 | 25% | 0.245 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.5 | 157.2 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | K65 V67 | K65-T77 HydrophobicContact CB-CG2 3.98Å; K65-T77 PolarHBondContact N-O 3.14Å; K65-T77 PolarHBondContact O-N 2.94Å; V67-T77 HydrophobicContact CG2-CG2 3.47Å; V67-T77 VanDerWaalsContact CG2-CG2 3.47Å |
| 78 | R | 90.6 | Very high | 75.6 | Confident | 121 Ų | 121 | 98.9 Ų | 98.9 | 46% | 0.457 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -54.2 | 145.7 | 167.4 | 66 | -179.4 | -171.8 | -174 | 5.1 | 111.5 | P30 T80 | P30-R78 WeakPolarHBondContact O-CB 3.44Å; R78-T80 HydrophobicContact CG-CG2 4.31Å; R78-T80 PolarHBondContact O-N 2.89Å |
| 79 | N | 84.6 | Confident | 73 | Confident | 72 Ų | 72 | 99.5 Ų | 99.5 | 39% | 0.385 | 60% | 0.6 | S | S | . | * | trans | -78.1 | 118.5 | 171.6 | -162.3 | 17.4 | 0 | 0 | 0 | 109.3 | G62 L63 | G62-N79 PolarHBondContact O-ND2 2.75Å; G62-N79 VanDerWaalsContact O-ND2 3.11Å; L63-N79 WeakPolarHBondContact O-CB 3.4Å | ||
| 80 | T | 74.1 | Confident | 70.4 | Confident | 114 Ų | 114 | 100.6 Ų | 100.6 | 70% | 0.699 | 61% | 0.607 | S | S | * | * | trans | -91.3 | -8.3 | -177.8 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | R78 G82 | R78-T80 HydrophobicContact CG-CG2 4.31Å; R78-T80 PolarHBondContact O-N 2.89Å; T80-G82 PolarHBondContact O-N 3.37Å | ||
| 81 | K | 64.8 | Low | 67.8 | Low | 167 Ų | 167 | 104.1 Ų | 104.1 | 73% | 0.726 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -78.2 | 104 | 168.6 | -66.7 | -172.6 | 177.3 | -174.1 | 0 | 106.6 | G83 | K81-G83 PolarHBondContact O-N 2.78Š|
| 82 | G | 53 | Low | 65.2 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | trans | -57 | 126.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T80 D84 | T80-G82 PolarHBondContact O-N 3.37Å; G82-D84 PolarHBondContact O-N 3.31Å | ||
| 83 | G | 52.4 | Low | 64.1 | Low | 80 Ų | 80 | 102.8 Ų | 102.8 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 65.3 | -16.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | K81 | K81-G83 PolarHBondContact O-N 2.78Š|
| 84 | D | 49.1 | Very low | 62.8 | Low | 149 Ų | 149 | 102.3 Ų | 102.3 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | trans | -143 | 107.8 | -172.5 | -81.2 | -61.2 | 0 | 0 | 0 | 112.7 | G82 | G82-D84 PolarHBondContact O-N 3.31Š| ||
| 85 | A | 41.9 | Very low | 61.1 | Low | 94 Ų | 94 | 106.3 Ų | 106.3 | 78% | 0.777 | 69% | 0.693 | S | S | * | * | trans | 171.5 | 115.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 86 | P | 51 | Low | 59.1 | Low | 128 Ų | 128 | 109.9 Ų | 109.9 | 83% | 0.831 | 72% | 0.72 | S | S | * | * | trans | -76.8 | 149.5 | 171.7 | 32.4 | -31 | 0 | 0 | 0 | 111.5 | ||||
| 87 | A | 58 | Low | 56.9 | Low | 101 Ų | 101 | 115.8 Ų | 115.8 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | 32.8 | 115.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 88 | A | 46.1 | Very low | 54.5 | Low | 106 Ų | 106 | 120.8 Ų | 120.8 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | 176.6 | 132.4 | 127.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 89 | G | 39.3 | Very low | 51.9 | Low | 73 Ų | 73 | 120.8 Ų | 120.8 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | 88.4 | 135.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 90 | E | 38.8 | Very low | 49.4 | Very low | 192 Ų | 192 | 124.5 Ų | 124.5 | 90% | 0.897 | 85% | 0.853 | S | S | * | * | cis | -170.1 | 143.3 | -5.9 | -158.5 | 153.3 | 104.6 | 0 | 0 | 104.2 | A92 | E90-A92 PolarHBondContact O-N 3.18Š| ||
| 91 | D | 38 | Very low | 47.3 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 91% | 0.909 | 87% | 0.866 | S | S | * | * | trans | -60 | 129.4 | 172.3 | -77.8 | -75.6 | 0 | 0 | 0 | 111.1 | ||||
| 92 | A | 35.1 | Very low | 45.7 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 100% | 1.455 | 88% | 0.879 | S | S | * | * | trans | -151.9 | 0 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E90 | E90-A92 PolarHBondContact O-N 3.18Š|
Retrieved 92 of 92 residues in 15.8 ms
(Link to these results)