| 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 | 24.1 | Very low | 27.7 | Very low | 220 Ų | 220 | 144.5 Ų | 144.5 | 100% | 1.084 | 77% | 0.768 | S | S | * | * | 0 | 117.9 | 0 | -79 | 169.5 | 175 | 0 | 0 | 106.4 | |||||
| 2 | Q | 23.9 | Very low | 29.5 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | 67.8 | 104.7 | 87.8 | -78.4 | -177.8 | -43.2 | 0 | 0 | 113 | |||||
| 3 | N | 24.1 | Very low | 31.5 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 87% | 0.866 | 68% | 0.678 | S | S | * | * | trans | -141.5 | 134.4 | 136.4 | -151.5 | 10.5 | 0 | 0 | 0 | 107 | ||||
| 4 | P | 27.7 | Very low | 33.3 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 76% | 0.76 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 119.3 | -168.8 | 35.1 | -28.2 | 0 | 0 | 0 | 113.3 | ||
| 5 | V | 24.8 | Very low | 34.5 | Very low | 142 Ų | 142 | 112.3 Ų | 112.3 | 86% | 0.861 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 148.1 | 156.6 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | K7 | V5-K7 PolarHBondContact O-N 3.46Š|
| 6 | G | 21.1 | Very low | 35.2 | Very low | 75 Ų | 75 | 105.4 Ų | 105.4 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 121.4 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 7 | K | 23.6 | Very low | 35.4 | Very low | 196 Ų | 196 | 102.8 Ų | 102.8 | 85% | 0.852 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -89 | 119.2 | 168.1 | -70.6 | -172.1 | 173.1 | -169.1 | 0 | 109.8 | V5 | V5-K7 PolarHBondContact O-N 3.46Š|
| 8 | I | 23.5 | Very low | 35.6 | Very low | 160 Ų | 160 | 100.2 Ų | 100.2 | 82% | 0.821 | 53% | 0.532 | S | S | * | . | trans | -104.9 | 144.3 | 169.8 | -62.1 | 175.4 | 0 | 0 | 0 | 108 | T10 | I8-T10 PolarHBondContact O-N 3.47Š| ||
| 9 | Y | 27.4 | Very low | 35.8 | Very low | 174 Ų | 174 | 95.6 Ų | 95.6 | 68% | 0.682 | 51% | 0.508 | S | S | * | . | trans | -81.8 | 104.5 | -162.6 | -67.5 | -103.5 | 0 | 0 | 0 | 113.6 | H11 | Y9-H11 VanDerWaalsContact CB-CE1 3.42Å; Y9-H11 WeakPolarHBondContact CB-CE1 3.23Å; Y9-H11 PolarHBondContact O-CE1 3.35Å; Y9-H11 PolarHBondContact O-ND1 2.89Å | ||
| 10 | T | 35.7 | Very low | 35.7 | Very low | 100 Ų | 100 | 94.6 Ų | 94.6 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | trans | -84.4 | 128.9 | 160.9 | 43.2 | 0 | 0 | 0 | 0 | 110.2 | I8 I280 | I8-T10 PolarHBondContact O-N 3.47Å; T10-I280 WeakPolarHBondContact O-CD1 3.18Å | ||
| 11 | H | 48.4 | Very low | 35.7 | Very low | 60 Ų | 60 | 97.7 Ų | 97.7 | 28% | 0.278 | 51% | 0.511 | S | S | . | . | trans | -100.6 | 9.7 | -164.2 | -72.2 | 73.8 | 0 | 0 | 0 | 115.5 | Y9 Y165 S277 | Y9-H11 VanDerWaalsContact CB-CE1 3.42Å; Y9-H11 WeakPolarHBondContact CB-CE1 3.23Å; Y9-H11 PolarHBondContact O-CE1 3.35Å; Y9-H11 PolarHBondContact O-ND1 2.89Å; H11-Y165 PolarHBondContact O-OH 2.6Å; H11-S277 PolarHBondContact CD2-O 3.32Å; H11-S277 VanDerWaalsContact CD2-O 3.28Å; H11-S277 PolarHBondContact NE2-O 3.41Å | ||
| 12 | C | 49.9 | Very low | 36.1 | Very low | 39 Ų | 39 | 90.4 Ų | 90.4 | 26% | 0.264 | 48% | 0.477 | S | S | . | . | trans | -115.7 | 148.9 | -175.3 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | L246 V272 | C12-L246 HydrophobicContact CB-CD2 3.58Å; C12-L246 VanDerWaalsContact SG-CD2 3.58Å; C12-V272 HydrophobicContact CB-CG2 4.33Å | ||
| 13 | I | 55.7 | Low | 36.3 | Very low | 20 Ų | 20 | 83.6 Ų | 83.6 | 10% | 0.103 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.2 | -174.4 | -66.4 | 152.4 | 0 | 0 | 0 | 111 | I15 Y165 W270 L271 I280 I283 | I13-I15 HydrophobicContact CG2-CG1 4.1Å; I13-Y165 HydrophobicContact CD1-CE2 4.18Å; I13-W270 CarbonylContact O-C 3.5Å; I13-W270 WeakPolarHBondContact O-CA 3.46Å; I13-L271 PolarHBondContact N-O 2.79Å; I13-L271 PolarHBondContact O-N 2.81Å; I13-I280 HydrophobicContact CD1-CG2 4.23Å; I13-I283 HydrophobicContact CD1-CD1 3.51Å; I13-I283 HydrophobicContact CG1-CD1 3.9Å; I13-I283 HydrophobicContact CG2-CD1 3.96Å |
| 14 | Y | 56.3 | Low | 36.7 | Very low | 36 Ų | 36 | 81.7 Ų | 81.7 | 14% | 0.141 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.7 | 176.5 | -172.7 | -145.1 | 0 | 0 | 0 | 111.4 | L17 N263 L266 H267 E269 W270 | Y14-L17 HydrophobicContact CD1-CB 4.29Å; Y14-L17 HydrophobicContact CE1-CB 3.51Å; Y14-L17 HydrophobicContact CE1-CD1 3.75Å; Y14-L17 HydrophobicContact CE1-CG 4.27Å; Y14-N263 VanDerWaalsContact CE1-ND2 3.35Å; Y14-N263 WeakPolarHBondContact CE1-ND2 3.13Å; Y14-L266 PolarHBondContact OH-O 2.04Å; Y14-H267 PolarHBondContact OH-O 2.88Å; Y14-E269 WeakPolarHBondContact CD2-O 3.3Å; Y14-W270 HydrophobicContact CD1-CH2 4.29Å; Y14-W270 HydrophobicContact CD1-CZ2 4.03Å; Y14-W270 AromaticContact CD2-CD1 3.89Å; Y14-W270 AromaticContact CD2-CD2 3.7Å; Y14-W270 HydrophobicContact CD2-CD2 3.7Å; Y14-W270 AromaticContact CD2-CE2 3.25Å; Y14-W270 HydrophobicContact CD2-CE3 4.35Å; Y14-W270 HydrophobicContact CD2-CG 4.07Å; Y14-W270 HydrophobicContact CD2-CH2 4.21Å; Y14-W270 AromaticContact CD2-CZ2 3.52Å; Y14-W270 HydrophobicContact CD2-CZ2 3.52Å; Y14-W270 AromaticContact CD2-NE1 3.39Å; Y14-W270 HydrophobicContact CE1-CZ2 4.37Å; Y14-W270 HydrophobicContact CE2-CD2 4.49Å; Y14-W270 AromaticContact CE2-CE2 3.68Å; Y14-W270 AromaticContact CE2-CZ2 3.92Å; Y14-W270 HydrophobicContact CE2-CZ2 3.92Å; Y14-W270 AromaticContact CE2-NE1 3.41Å; Y14-W270 HydrophobicContact CG-CD2 4.19Å; Y14-W270 AromaticContact CG-CE2 3.78Å; Y14-W270 HydrophobicContact CG-CE3 4.4Å; Y14-W270 AromaticContact CG-CH2 3.87Å; Y14-W270 HydrophobicContact CG-CH2 3.87Å; Y14-W270 AromaticContact CG-CZ2 3.59Å; Y14-W270 HydrophobicContact CG-CZ2 3.59Å; Y14-W270 HydrophobicContact CG-CZ3 4.27Å |
| 15 | I | 52 | Low | 36.9 | Very low | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 44% | 0.442 | C | S | . | . | trans | -113.5 | -43.4 | -163.7 | -62.1 | 173.5 | 0 | 0 | 0 | 113.6 | I13 I19 F160 F211 E269 L271 | I13-I15 HydrophobicContact CG2-CG1 4.1Å; I15-I19 HydrophobicContact CG2-CD1 3.89Å; I15-F160 HydrophobicContact CD1-CB 4.25Å; I15-F160 HydrophobicContact CD1-CD2 4.11Å; I15-F160 HydrophobicContact CD1-CG 4.24Å; I15-F160 HydrophobicContact CG2-CD1 4.43Å; I15-F160 HydrophobicContact CG2-CD2 4.05Å; I15-F160 HydrophobicContact CG2-CE1 4.05Å; I15-F160 HydrophobicContact CG2-CE2 3.63Å; I15-F160 HydrophobicContact CG2-CG 4.44Å; I15-F160 HydrophobicContact CG2-CZ 3.64Å; I15-F211 HydrophobicContact CD1-CD1 4.39Å; I15-F211 HydrophobicContact CD1-CE1 3.82Å; I15-E269 PolarHBondContact N-O 2.78Å; I15-L271 HydrophobicContact CD1-CB 3.84Å; I15-L271 HydrophobicContact CD1-CD2 4.48Å | ||
| 16 | I | 44.7 | Very low | 37.2 | Very low | 2 Ų | 2 | 82.1 Ų | 82.1 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -79.7 | -33.3 | -164.7 | -84.3 | -173.8 | 0 | 0 | 0 | 115.9 | L18 I19 L20 P33 Y34 E269 | I16-L18 PolarHBondContact O-N 2.94Å; I16-I19 HydrophobicContact CG1-CD1 4.25Å; I16-I19 WeakPolarHBondContact O-CA 3.45Å; I16-I19 WeakPolarHBondContact O-CB 3.09Å; I16-I19 PolarHBondContact O-N 3.18Å; I16-L20 HydrophobicContact CG2-CD1 3.74Å; I16-L20 HydrophobicContact CG2-CG 4.11Å; I16-L20 PolarHBondContact O-N 2.84Å; I16-P33 HydrophobicContact CD1-CB 3.95Å; I16-P33 HydrophobicContact CD1-CG 4.05Å; I16-Y34 HydrophobicContact CD1-CD1 3.9Å; I16-Y34 HydrophobicContact CD1-CE1 3.6Å; I16-E269 HydrophobicContact CD1-CB 4.09Å; I16-E269 HydrophobicContact CD1-CG 3.56Å; I16-E269 HydrophobicContact CG1-CB 4.11Å; I16-E269 HydrophobicContact CG1-CG 4.13Å |
| 17 | L | 38.1 | Very low | 37.7 | Very low | 61 Ų | 61 | 82.1 Ų | 82.1 | 32% | 0.319 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -32 | -179.6 | -144.9 | 164.5 | 0 | 0 | 0 | 110.7 | Y14 I19 F21 L266 | Y14-L17 HydrophobicContact CD1-CB 4.29Å; Y14-L17 HydrophobicContact CE1-CB 3.51Å; Y14-L17 HydrophobicContact CE1-CD1 3.75Å; Y14-L17 HydrophobicContact CE1-CG 4.27Å; L17-I19 PolarHBondContact O-N 3.5Å; L17-F21 HydrophobicContact CD2-CD2 3.74Å; L17-F21 HydrophobicContact CD2-CE2 3.57Å; L17-F21 WeakPolarHBondContact O-CD2 3.49Å; L17-L266 HydrophobicContact CD1-CD1 4.28Å; L17-L266 HydrophobicContact CD1-CD2 4.32Å |
| 18 | L | 39.3 | Very low | 38.1 | Very low | 57 Ų | 57 | 78.3 Ų | 78.3 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.8 | -16.9 | 172.2 | -54.4 | 178.2 | 0 | 0 | 0 | 114.3 | I16 V285 L288 S289 | I16-L18 PolarHBondContact O-N 2.94Å; L18-V285 HydrophobicContact CB-CG1 4.23Å; L18-V285 HydrophobicContact CD1-CG1 4.18Å; L18-V285 HydrophobicContact CD1-CG2 4.12Å; L18-V285 HydrophobicContact CD2-CG1 3.86Å; L18-V285 HydrophobicContact CD2-CG2 4.33Å; L18-V285 HydrophobicContact CG-CG1 4.31Å; L18-L288 HydrophobicContact CD1-CD1 3.76Å; L18-S289 WeakPolarHBondContact O-CB 3.35Å |
| 19 | I | 39.1 | Very low | 38.6 | Very low | 13 Ų | 13 | 75 Ų | 75 | 7% | 0.067 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -96.6 | -45 | -179.5 | -63.4 | 165.1 | 0 | 0 | 0 | 110.5 | I15 I16 L17 F21 N22 N23 F160 A292 | I15-I19 HydrophobicContact CG2-CD1 3.89Å; I16-I19 HydrophobicContact CG1-CD1 4.25Å; I16-I19 WeakPolarHBondContact O-CA 3.45Å; I16-I19 WeakPolarHBondContact O-CB 3.09Å; I16-I19 PolarHBondContact O-N 3.18Å; L17-I19 PolarHBondContact O-N 3.5Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 2.94Å; I19-N22 PolarHBondContact O-N 2.85Å; I19-N22 VanDerWaalsContact O-N 3.07Å; I19-N23 PolarHBondContact O-N 3.29Å; I19-F160 HydrophobicContact CD1-CZ 4.03Å; I19-A292 HydrophobicContact CB-CB 4.13Å; I19-A292 HydrophobicContact CD1-CB 3.41Å; I19-A292 VanDerWaalsContact CD1-CB 3.41Å; I19-A292 HydrophobicContact CG1-CB 3.54Å; I19-A292 HydrophobicContact CG2-CB 3.46Å; I19-A292 VanDerWaalsContact CG2-CB 3.46Å |
| 20 | L | 35.5 | Very low | 38.9 | Very low | 74 Ų | 74 | 76.1 Ų | 76.1 | 39% | 0.387 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | -176.7 | -77 | 168.6 | 0 | 0 | 0 | 112.4 | I16 N22 N23 V24 | I16-L20 HydrophobicContact CG2-CD1 3.74Å; I16-L20 HydrophobicContact CG2-CG 4.11Å; I16-L20 PolarHBondContact O-N 2.84Å; L20-N22 PolarHBondContact O-N 2.87Å; L20-N23 PolarHBondContact O-N 2.88Å; L20-V24 PolarHBondContact O-N 2.97Å |
| 21 | F | 34.4 | Very low | 39.1 | Very low | 161 Ų | 161 | 75 Ų | 75 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -48.9 | -32.2 | 173.4 | -101.5 | -69.9 | 0 | 0 | 0 | 114 | L17 I19 | L17-F21 HydrophobicContact CD2-CD2 3.74Å; L17-F21 HydrophobicContact CD2-CE2 3.57Å; L17-F21 WeakPolarHBondContact O-CD2 3.49Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 2.94Å |
| 22 | N | 32.7 | Very low | 39 | Very low | 66 Ų | 66 | 75.6 Ų | 75.6 | 35% | 0.353 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -97.7 | -20.9 | -173.8 | -154 | 38.7 | 0 | 0 | 0 | 113.6 | I19 L20 N26 | I19-N22 PolarHBondContact O-N 2.85Å; I19-N22 VanDerWaalsContact O-N 3.07Å; L20-N22 PolarHBondContact O-N 2.87Å; N22-N26 PolarHBondContact O-ND2 2.77Å |
| 23 | N | 29 | Very low | 39 | Very low | 41 Ų | 41 | 75.5 Ų | 75.5 | 22% | 0.219 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -86.8 | -31.5 | 179.2 | -83 | -21 | 0 | 0 | 0 | 113 | I19 L20 Q25 N26 | I19-N23 PolarHBondContact O-N 3.29Å; L20-N23 PolarHBondContact O-N 2.88Å; N23-Q25 VanDerWaalsContact C-N 3.29Å; N23-Q25 PolarHBondContact O-N 2.8Å; N23-N26 PolarHBondContact O-N 2.86Å |
| 24 | V | 31.7 | Very low | 39.2 | Very low | 122 Ų | 122 | 75 Ų | 75 | 74% | 0.739 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -59.8 | -38 | 178.4 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | L20 N26 | L20-V24 PolarHBondContact O-N 2.97Å; V24-N26 VanDerWaalsContact C-N 3.27Å; V24-N26 PolarHBondContact O-N 3.17Å |
| 25 | Q | 32 | Very low | 39.4 | Very low | 170 Ų | 170 | 73.4 Ų | 73.4 | 79% | 0.794 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -66.6 | -22.2 | 176.6 | -74.1 | -163 | -17.1 | 0 | 0 | 114.6 | N23 | N23-Q25 VanDerWaalsContact C-N 3.29Å; N23-Q25 PolarHBondContact O-N 2.8Å |
| 26 | N | 31.7 | Very low | 39.8 | Very low | 98 Ų | 98 | 76.5 Ų | 76.5 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -97.8 | -2.1 | -169.1 | -78.4 | -69 | 0 | 0 | 0 | 114.3 | N22 N23 V24 L28 | N22-N26 PolarHBondContact O-ND2 2.77Å; N23-N26 PolarHBondContact O-N 2.86Å; V24-N26 VanDerWaalsContact C-N 3.27Å; V24-N26 PolarHBondContact O-N 3.17Å; N26-L28 HydrophobicContact CB-CD1 4.29Å; N26-L28 PolarHBondContact O-N 2.94Å |
| 27 | G | 31.8 | Very low | 40.5 | Very low | 75 Ų | 75 | 77.5 Ų | 77.5 | 77% | 0.773 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 13.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 28 | L | 31.8 | Very low | 41.3 | Very low | 115 Ų | 115 | 79 Ų | 79 | 60% | 0.602 | 42% | 0.424 | S | S | * | . | trans | -77.6 | 128.6 | -179 | -74.4 | 166 | 0 | 0 | 0 | 110.2 | N26 | N26-L28 HydrophobicContact CB-CD1 4.29Å; N26-L28 PolarHBondContact O-N 2.94Å | ||
| 29 | T | 33 | Very low | 41.7 | Very low | 91 Ų | 91 | 80.1 Ų | 80.1 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | trans | -36.6 | 136.4 | 178.4 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | L31 | T29-L31 PolarHBondContact O-N 3.19Š| ||
| 30 | Q | 34.4 | Very low | 42.1 | Very low | 198 Ų | 198 | 86.7 Ų | 86.7 | 93% | 0.925 | 47% | 0.465 | S | S | * | . | trans | -51.5 | 95 | 174.4 | -71.9 | 176.9 | -45.3 | 0 | 0 | 112.3 | ||||
| 31 | L | 39.2 | Very low | 42.8 | Very low | 77 Ų | 77 | 84.1 Ų | 84.1 | 40% | 0.403 | 45% | 0.452 | S | S | . | . | trans | -86.1 | 126.5 | 156.4 | -84.9 | 158 | 0 | 0 | 0 | 107 | T29 P33 V296 L299 | T29-L31 PolarHBondContact O-N 3.19Å; L31-P33 WeakPolarHBondContact O-CD 3.31Å; L31-V296 HydrophobicContact CD1-CG1 3.81Å; L31-V296 HydrophobicContact CD1-CG2 4.36Å; L31-L299 HydrophobicContact CD2-CD1 4.49Å | ||
| 32 | N | 47.7 | Very low | 43.7 | Very low | 71 Ų | 71 | 84.4 Ų | 84.4 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | trans | -63.6 | 117.9 | 175.4 | -161.2 | 16.6 | 0 | 0 | 0 | 108.3 | Y34 | N32-Y34 VanDerWaalsContact C-N 3.27Å; N32-Y34 PolarHBondContact O-N 3.07Å; N32-Y34 VanDerWaalsContact OD1-CD2 3.28Å; N32-Y34 WeakPolarHBondContact OD1-CD2 3.33Å | ||
| 33 | P | 49.2 | Very low | 44.8 | Very low | 37 Ų | 37 | 86.2 Ų | 86.2 | 24% | 0.24 | 47% | 0.47 | C | S | . | . | trans | -74.9 | -20.3 | -171.1 | 30.1 | -36 | 0 | 0 | 0 | 112.5 | I16 L31 R156 | I16-P33 HydrophobicContact CD1-CB 3.95Å; I16-P33 HydrophobicContact CD1-CG 4.05Å; L31-P33 WeakPolarHBondContact O-CD 3.31Å; P33-R156 PolarHBondContact O-NH1 2.78Å | ||
| 34 | Y | 60.1 | Low | 46.4 | Very low | 11 Ų | 11 | 85.2 Ų | 85.2 | 4% | 0.043 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -69 | 143.1 | -179.5 | -52.1 | -73.3 | 0 | 0 | 0 | 111.9 | I16 N32 Q36 Q153 Q213 Y214 I215 H267 G268 E269 | I16-Y34 HydrophobicContact CD1-CD1 3.9Å; I16-Y34 HydrophobicContact CD1-CE1 3.6Å; N32-Y34 VanDerWaalsContact C-N 3.27Å; N32-Y34 PolarHBondContact O-N 3.07Å; N32-Y34 VanDerWaalsContact OD1-CD2 3.28Å; N32-Y34 WeakPolarHBondContact OD1-CD2 3.33Å; Y34-Q36 PolarHBondContact O-N 2.93Å; Y34-Q153 PolarHBondContact O-NE2 3.19Å; Y34-Q213 HydrophobicContact CD1-CB 4.31Å; Y34-Y214 VanDerWaalsContact CE1-O 3.29Å; Y34-Y214 WeakPolarHBondContact CE1-O 3.13Å; Y34-Y214 VanDerWaalsContact CZ-O 3.28Å; Y34-Y214 PolarHBondContact OH-O 3.28Å; Y34-I215 HydrophobicContact CD1-CG1 3.93Å; Y34-I215 HydrophobicContact CD2-CB 4.16Å; Y34-I215 HydrophobicContact CD2-CG1 4.26Å; Y34-I215 HydrophobicContact CD2-CG2 3.75Å; Y34-I215 HydrophobicContact CE2-CG2 4.43Å; Y34-I215 HydrophobicContact CG-CB 4.17Å; Y34-I215 HydrophobicContact CG-CG1 3.74Å; Y34-I215 HydrophobicContact CG-CG2 4.05Å; Y34-H267 AromaticContact CZ-ND1 3.79Å; Y34-H267 PolarHBondContact OH-ND1 2.81Å; Y34-H267 VanDerWaalsContact OH-ND1 3.08Å; Y34-G268 PolarHBondContact OH-N 2.67Å; Y34-E269 HydrophobicContact CD1-CG 4.06Å; Y34-E269 HydrophobicContact CE1-CG 4.39Å |
| 35 | F | 60.7 | Low | 48.2 | Very low | 1 Ų | 1 | 84.2 Ų | 84.2 | 0% | 0.004 | 45% | 0.452 | C | S | . | . | trans | -64.1 | 126.8 | 166 | -163.7 | -50.6 | 0 | 0 | 0 | 109.6 | F37 Q153 I154 L157 I200 Q213 | F35-F37 HydrophobicContact CD1-CD2 4.21Å; F35-F37 AromaticContact CD1-CE2 3.99Å; F35-F37 HydrophobicContact CD1-CE2 3.99Å; F35-F37 HydrophobicContact CD1-CZ 4.42Å; F35-F37 HydrophobicContact CE1-CD1 4.22Å; F35-F37 AromaticContact CE1-CD2 3.58Å; F35-F37 HydrophobicContact CE1-CD2 3.58Å; F35-F37 AromaticContact CE1-CE1 3.82Å; F35-F37 HydrophobicContact CE1-CE1 3.82Å; F35-F37 AromaticContact CE1-CE2 3.14Å; F35-F37 HydrophobicContact CE1-CE2 3.14Å; F35-F37 HydrophobicContact CE1-CG 4.08Å; F35-F37 AromaticContact CE1-CZ 3.23Å; F35-F37 HydrophobicContact CE1-CZ 3.23Å; F35-F37 HydrophobicContact CZ-CD2 4.46Å; F35-F37 AromaticContact CZ-CE1 3.96Å; F35-F37 HydrophobicContact CZ-CE1 3.96Å; F35-F37 AromaticContact CZ-CE2 3.63Å; F35-F37 HydrophobicContact CZ-CE2 3.63Å; F35-F37 AromaticContact CZ-CZ 3.28Å; F35-F37 HydrophobicContact CZ-CZ 3.28Å; F35-Q153 HydrophobicContact CD2-CB 3.46Å; F35-Q153 VanDerWaalsContact CD2-CB 3.46Å; F35-Q153 HydrophobicContact CD2-CG 4.4Å; F35-Q153 HydrophobicContact CE1-CB 4.35Å; F35-Q153 HydrophobicContact CE2-CB 3.32Å; F35-Q153 HydrophobicContact CG-CB 4.07Å; F35-Q153 HydrophobicContact CZ-CB 3.76Å; F35-I154 HydrophobicContact CE2-CG1 3.71Å; F35-I154 HydrophobicContact CZ-CD1 4.48Å; F35-I154 HydrophobicContact CZ-CG1 3.75Å; F35-L157 HydrophobicContact CD2-CD1 3.46Å; F35-L157 VanDerWaalsContact CD2-CD1 3.46Å; F35-L157 HydrophobicContact CD2-CG 4Å; F35-L157 HydrophobicContact CE2-CD1 3.98Å; F35-L157 HydrophobicContact CG-CD1 4.39Å; F35-I200 HydrophobicContact CB-CD1 3.64Å; F35-I200 HydrophobicContact CD1-CD1 4.23Å; F35-I200 HydrophobicContact CD2-CD1 4.02Å; F35-I200 HydrophobicContact CG-CD1 3.7Å; F35-Q213 VanDerWaalsContact N-NE2 3.11Å | ||
| 36 | Q | 59.3 | Low | 50.1 | Low | 65 Ų | 65 | 78.5 Ų | 78.5 | 30% | 0.304 | 43% | 0.428 | S | S | . | . | trans | -139.7 | 144.4 | 164.8 | -68 | -179 | -44.8 | 0 | 0 | 109.5 | Y34 | Y34-Q36 PolarHBondContact O-N 2.93Š| ||
| 37 | F | 60 | Low | 52.3 | Low | 24 Ų | 24 | 78 Ų | 78 | 11% | 0.105 | 42% | 0.422 | C | S | . | . | trans | -89.2 | 129.9 | 174.2 | -82 | -77.2 | 0 | 0 | 0 | 110.9 | F35 P39 L44 T136 I138 L146 E150 I154 H178 | F35-F37 HydrophobicContact CD1-CD2 4.21Å; F35-F37 AromaticContact CD1-CE2 3.99Å; F35-F37 HydrophobicContact CD1-CE2 3.99Å; F35-F37 HydrophobicContact CD1-CZ 4.42Å; F35-F37 HydrophobicContact CE1-CD1 4.22Å; F35-F37 AromaticContact CE1-CD2 3.58Å; F35-F37 HydrophobicContact CE1-CD2 3.58Å; F35-F37 AromaticContact CE1-CE1 3.82Å; F35-F37 HydrophobicContact CE1-CE1 3.82Å; F35-F37 AromaticContact CE1-CE2 3.14Å; F35-F37 HydrophobicContact CE1-CE2 3.14Å; F35-F37 HydrophobicContact CE1-CG 4.08Å; F35-F37 AromaticContact CE1-CZ 3.23Å; F35-F37 HydrophobicContact CE1-CZ 3.23Å; F35-F37 HydrophobicContact CZ-CD2 4.46Å; F35-F37 AromaticContact CZ-CE1 3.96Å; F35-F37 HydrophobicContact CZ-CE1 3.96Å; F35-F37 AromaticContact CZ-CE2 3.63Å; F35-F37 HydrophobicContact CZ-CE2 3.63Å; F35-F37 AromaticContact CZ-CZ 3.28Å; F35-F37 HydrophobicContact CZ-CZ 3.28Å; F37-P39 WeakPolarHBondContact O-CD 3.36Å; F37-L44 HydrophobicContact CD1-CD1 4.06Å; F37-T136 HydrophobicContact CD2-CG2 4.37Å; F37-T136 HydrophobicContact CG-CG2 4.44Å; F37-I138 HydrophobicContact CD1-CD1 3.96Å; F37-I138 HydrophobicContact CD2-CD1 4.27Å; F37-I138 HydrophobicContact CE1-CD1 3.21Å; F37-I138 HydrophobicContact CE2-CD1 3.54Å; F37-I138 HydrophobicContact CG-CD1 4.47Å; F37-I138 HydrophobicContact CZ-CD1 2.98Å; F37-I138 HydrophobicContact CZ-CG1 4.43Å; F37-L146 HydrophobicContact CE1-CD2 3.9Å; F37-E150 HydrophobicContact CD1-CB 4.16Å; F37-E150 HydrophobicContact CD1-CG 3.61Å; F37-E150 HydrophobicContact CE1-CB 3.85Å; F37-E150 HydrophobicContact CE1-CG 3.85Å; F37-I154 HydrophobicContact CZ-CD1 4.48Å; F37-H178 HydrophobicContact CD2-CB 4.21Å; F37-H178 AromaticContact CD2-ND1 3.6Å; F37-H178 HydrophobicContact CE2-CB 4.12Å | ||
| 38 | I | 54.1 | Low | 54.6 | Low | 93 Ų | 93 | 78.4 Ų | 78.4 | 48% | 0.477 | 41% | 0.405 | S | S | . | . | trans | -80.9 | 120.1 | 174.3 | -55.9 | 174.9 | 0 | 0 | 0 | 108.5 | Q40 E150 | I38-Q40 PolarHBondContact O-N 2.87Å; I38-E150 VanDerWaalsContact CB-OE1 3.3Å; I38-E150 WeakPolarHBondContact CB-OE1 3.33Å; I38-E150 WeakPolarHBondContact CG1-OE1 3.41Å; I38-E150 PolarHBondContact N-OE1 3.1Å | ||
| 39 | P | 47.8 | Very low | 56.7 | Low | 80 Ų | 80 | 74.8 Ų | 74.8 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -75.3 | 10.2 | -168.1 | 30.7 | -37.7 | 0 | 0 | 0 | 115.4 | F37 N41 | F37-P39 WeakPolarHBondContact O-CD 3.36Å; P39-N41 PolarHBondContact O-N 3.39Å; P39-N41 VanDerWaalsContact O-N 3.16Å |
| 40 | Q | 48.4 | Very low | 58.8 | Low | 150 Ų | 150 | 71.1 Ų | 71.1 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | trans | -86 | 36.8 | -179.3 | -67.9 | -167.2 | -20.8 | 0 | 0 | 113.3 | I38 | I38-Q40 PolarHBondContact O-N 2.87Š| ||
| 41 | N | 49.9 | Very low | 60.4 | Low | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.112 | 32% | 0.32 | C | S | . | . | trans | -137.2 | 94.2 | -177.6 | -164.4 | 1.5 | 0 | 0 | 0 | 111.1 | P39 N43 L44 K145 | P39-N41 PolarHBondContact O-N 3.39Å; P39-N41 VanDerWaalsContact O-N 3.16Å; N41-N43 PolarHBondContact O-N 2.83Å; N41-N43 PolarHBondContact OD1-ND2 2.95Å; N41-L44 HydrophobicContact CB-CD1 4.13Å; N41-L44 HydrophobicContact CB-CG 4.37Å; N41-L44 PolarHBondContact O-N 2.9Å; N41-K145 PolarHBondContact ND2-O 2.89Å | ||
| 42 | D | 53.9 | Low | 61.7 | Low | 167 Ų | 167 | 62.9 Ų | 62.9 | 89% | 0.893 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -1.7 | -178.3 | -50.4 | -38 | 0 | 0 | 0 | 115.2 | ||
| 43 | N | 56.1 | Low | 62.7 | Low | 103 Ų | 103 | 67.7 Ų | 67.7 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -2.8 | -179.7 | -49.4 | -92 | 0 | 0 | 0 | 113.5 | N41 | N41-N43 PolarHBondContact O-N 2.83Å; N41-N43 PolarHBondContact OD1-ND2 2.95Å |
| 44 | L | 61.4 | Low | 63.3 | Low | 20 Ų | 20 | 68.4 Ų | 68.4 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -91.5 | 135.4 | 174.3 | -67.6 | 171.8 | 0 | 0 | 0 | 109.8 | F37 N41 T46 T136 I138 L146 | F37-L44 HydrophobicContact CD1-CD1 4.06Å; N41-L44 HydrophobicContact CB-CD1 4.13Å; N41-L44 HydrophobicContact CB-CG 4.37Å; N41-L44 PolarHBondContact O-N 2.9Å; L44-T46 VanDerWaalsContact C-N 3.26Å; L44-T46 PolarHBondContact O-N 3.19Å; L44-T136 HydrophobicContact CB-CG2 4.36Å; L44-I138 HydrophobicContact CD2-CD1 3.76Å; L44-I138 HydrophobicContact CD2-CG1 3.84Å; L44-I138 HydrophobicContact CD2-CG2 4.41Å; L44-L146 HydrophobicContact CD2-CD2 4.14Å |
| 45 | H | 68.9 | Low | 63.3 | Low | 101 Ų | 101 | 70.3 Ų | 70.3 | 47% | 0.468 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 74.5 | 178.3 | -157.6 | -104.3 | 0 | 0 | 0 | 109.6 | E137 | H45-E137 HydrophobicContact CB-CB 4.29Å; H45-E137 IonicContact CE1-OE1 3.61Å; H45-E137 IonicContact CG-OE1 2.65Å; H45-E137 PolarHBondContact N-O 3.05Å; H45-E137 IonicContact ND1-OE1 3.29Å; H45-E137 PolarHBondContact ND1-OE1 3.04Å; H45-E137 PolarHBondContact O-N 2.83Å |
| 46 | T | 72.4 | Confident | 63.4 | Low | 50 Ų | 50 | 77 Ų | 77 | 31% | 0.307 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.9 | 179.7 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | L44 I48 V135 T136 | L44-T46 VanDerWaalsContact C-N 3.26Å; L44-T46 PolarHBondContact O-N 3.19Å; T46-I48 HydrophobicContact CG2-CG1 4.02Å; T46-V135 CarbonylContact C-O 3.42Å; T46-V135 WeakPolarHBondContact CA-O 2.89Å; T46-T136 WeakPolarHBondContact CG2-OG1 3.24Å; T46-T136 WeakPolarHBondContact OG1-CG2 3.46Å; T46-T136 PolarHBondContact OG1-OG1 2.75Å |
| 47 | K | 78.5 | Confident | 64 | Low | 88 Ų | 88 | 79.5 Ų | 79.5 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 143.8 | 162.2 | -80.8 | 171.9 | 174.5 | 168 | 0 | 109.8 | Y49 Y62 V135 | K47-Y49 HydrophobicContact CB-CE2 3.83Å; K47-Y49 HydrophobicContact CD-CE2 4.49Å; K47-Y62 HydrophobicContact CB-CE2 4.01Å; K47-Y62 HydrophobicContact CD-CD2 4.44Å; K47-Y62 HydrophobicContact CD-CE2 3.53Å; K47-Y62 HydrophobicContact CG-CE2 4.33Å; K47-V135 PolarHBondContact N-O 2.93Å; K47-V135 PolarHBondContact O-N 2.9Å |
| 48 | I | 78.8 | Confident | 64.7 | Low | 84 Ų | 84 | 81.6 Ų | 81.6 | 43% | 0.431 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.6 | -179.7 | -62.7 | 172.8 | 0 | 0 | 0 | 107.6 | T46 D50 R132 R134 | T46-I48 HydrophobicContact CG2-CG1 4.02Å; I48-D50 HydrophobicContact CG2-CB 4.41Å; I48-R132 HydrophobicContact CG2-CG 3.58Å; I48-R134 HydrophobicContact CG1-CG 4.26Å; I48-R134 HydrophobicContact CG2-CG 4.5Å |
| 49 | Y | 76.5 | Confident | 66.1 | Low | 38 Ų | 38 | 79.1 Ų | 79.1 | 15% | 0.149 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 102.1 | 174.6 | -62.8 | -96.8 | 0 | 0 | 0 | 106.3 | K47 F55 F60 Y62 R132 I133 | K47-Y49 HydrophobicContact CB-CE2 3.83Å; K47-Y49 HydrophobicContact CD-CE2 4.49Å; Y49-F55 HydrophobicContact CD1-CD1 4.48Å; Y49-F55 HydrophobicContact CD1-CD2 4.27Å; Y49-F55 HydrophobicContact CD1-CE1 4Å; Y49-F55 AromaticContact CD1-CE2 3.79Å; Y49-F55 HydrophobicContact CD1-CE2 3.79Å; Y49-F55 AromaticContact CD1-CZ 3.66Å; Y49-F55 HydrophobicContact CD1-CZ 3.66Å; Y49-F55 HydrophobicContact CE1-CE2 4.25Å; Y49-F55 HydrophobicContact CE1-CZ 4.11Å; Y49-F60 AromaticContact CD1-CD1 3.81Å; Y49-F60 HydrophobicContact CD1-CD1 3.81Å; Y49-F60 HydrophobicContact CD1-CD2 4.12Å; Y49-F60 AromaticContact CD1-CE1 3.89Å; Y49-F60 HydrophobicContact CD1-CE1 3.89Å; Y49-F60 HydrophobicContact CD1-CE2 4.2Å; Y49-F60 AromaticContact CD1-CG 3.92Å; Y49-F60 HydrophobicContact CD1-CG 3.92Å; Y49-F60 HydrophobicContact CD1-CZ 4.09Å; Y49-F60 HydrophobicContact CD2-CD2 4.2Å; Y49-F60 AromaticContact CD2-CE1 3.86Å; Y49-F60 HydrophobicContact CD2-CE1 3.86Å; Y49-F60 AromaticContact CD2-CE2 3.51Å; Y49-F60 HydrophobicContact CD2-CE2 3.51Å; Y49-F60 AromaticContact CD2-CZ 3.31Å; Y49-F60 HydrophobicContact CD2-CZ 3.31Å; Y49-F60 HydrophobicContact CE1-CB 4.24Å; Y49-F60 HydrophobicContact CE1-CD1 4.15Å; Y49-F60 AromaticContact CE1-CD2 3.68Å; Y49-F60 HydrophobicContact CE1-CD2 3.68Å; Y49-F60 HydrophobicContact CE1-CE1 4.43Å; Y49-F60 HydrophobicContact CE1-CE2 4Å; Y49-F60 AromaticContact CE1-CG 3.76Å; Y49-F60 HydrophobicContact CE1-CG 3.76Å; Y49-F60 HydrophobicContact CE1-CZ 4.37Å; Y49-F60 AromaticContact CE2-CD2 3.79Å; Y49-F60 HydrophobicContact CE2-CD2 3.79Å; Y49-F60 HydrophobicContact CE2-CE1 4.42Å; Y49-F60 AromaticContact CE2-CE2 3.28Å; Y49-F60 HydrophobicContact CE2-CE2 3.28Å; Y49-F60 AromaticContact CE2-CZ 3.65Å; Y49-F60 HydrophobicContact CE2-CZ 3.65Å; Y49-F60 AromaticContact CG-CD1 3.99Å; Y49-F60 HydrophobicContact CG-CD1 3.99Å; Y49-F60 HydrophobicContact CG-CD2 4.35Å; Y49-F60 AromaticContact CG-CE1 3.57Å; Y49-F60 HydrophobicContact CG-CE1 3.57Å; Y49-F60 AromaticContact CG-CE2 3.97Å; Y49-F60 HydrophobicContact CG-CE2 3.97Å; Y49-F60 HydrophobicContact CG-CG 4.36Å; Y49-F60 AromaticContact CG-CZ 3.56Å; Y49-F60 HydrophobicContact CG-CZ 3.56Å; Y49-F60 AromaticContact CZ-CD2 3.49Å; Y49-F60 VanDerWaalsContact CZ-CD2 3.49Å; Y49-F60 AromaticContact CZ-CE2 3.54Å; Y49-Y62 HydrophobicContact CE2-CD2 4.26Å; Y49-Y62 HydrophobicContact CE2-CE2 4.34Å; Y49-R132 CarbonylContact O-C 3.45Å; Y49-R132 WeakPolarHBondContact O-CA 3.36Å; Y49-I133 PolarHBondContact N-O 3.01Å; Y49-I133 PolarHBondContact O-N 2.84Å |
| 50 | D | 76.8 | Confident | 67.9 | Low | 14 Ų | 14 | 75.7 Ų | 75.7 | 8% | 0.075 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 110 | -174.9 | -160.2 | -40.9 | 0 | 0 | 0 | 109.6 | I48 S52 E53 R132 | I48-D50 HydrophobicContact CG2-CB 4.41Å; D50-S52 PolarHBondContact O-N 3.29Å; D50-S52 WeakPolarHBondContact OD1-CB 3.27Å; D50-S52 PolarHBondContact OD1-N 2.81Å; D50-S52 PolarHBondContact OD1-OG 3.19Å; D50-E53 HydrophobicContact CB-CB 4.33Å; D50-E53 HydrophobicContact CB-CG 4.1Å; D50-E53 PolarHBondContact O-N 2.78Å; D50-E53 VanDerWaalsContact O-N 3.09Å; D50-R132 HydrophobicContact CB-CG 4.24Å; D50-R132 IonicContact OD2-CZ 2.77Å; D50-R132 IonicContact OD2-NE 2.7Å; D50-R132 PolarHBondContact OD2-NE 3.34Å; D50-R132 IonicContact OD2-NH2 3.79Å; D50-R132 PolarHBondContact OD2-NH2 3.26Å |
| 51 | Y | 68.4 | Low | 69.6 | Low | 20 Ų | 20 | 72.8 Ų | 72.8 | 8% | 0.078 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -66.3 | -23.9 | -179.3 | -69 | -98.1 | 0 | 0 | 0 | 110.8 | E53 G54 F55 E57 K82 G131 I133 M184 | Y51-E53 VanDerWaalsContact C-N 3.3Å; Y51-E53 PolarHBondContact O-N 3.15Å; Y51-G54 PolarHBondContact O-N 3.45Å; Y51-F55 WeakPolarHBondContact CD1-O 3.47Å; Y51-F55 HydrophobicContact CE1-CD1 4.08Å; Y51-F55 WeakPolarHBondContact CE1-O 3.3Å; Y51-E57 PolarHBondContact OH-O 2.89Å; Y51-K82 HydrophobicContact CE1-CB 4.44Å; Y51-G131 PolarHBondContact N-O 3.03Å; Y51-I133 HydrophobicContact CE2-CD1 3.91Å; Y51-I133 HydrophobicContact CE2-CG1 4.06Å; Y51-M184 HydrophobicContact CD2-CE 4.46Å; Y51-M184 HydrophobicContact CE2-CE 4.4Å |
| 52 | S | 67.2 | Low | 71.4 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 58% | 0.58 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -75.2 | -13.7 | 174.8 | 75.4 | 0 | 0 | 0 | 0 | 114.5 | D50 G54 | D50-S52 PolarHBondContact O-N 3.29Å; D50-S52 WeakPolarHBondContact OD1-CB 3.27Å; D50-S52 PolarHBondContact OD1-N 2.81Å; D50-S52 PolarHBondContact OD1-OG 3.19Å; S52-G54 VanDerWaalsContact C-N 3.35Å |
| 53 | E | 67.4 | Low | 73 | Confident | 172 Ų | 172 | 69.2 Ų | 69.2 | 80% | 0.804 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -91 | 5.7 | 170.6 | -63.8 | -164.9 | 152.6 | 0 | 0 | 113.1 | D50 Y51 | D50-E53 HydrophobicContact CB-CB 4.33Å; D50-E53 HydrophobicContact CB-CG 4.1Å; D50-E53 PolarHBondContact O-N 2.78Å; D50-E53 VanDerWaalsContact O-N 3.09Å; Y51-E53 VanDerWaalsContact C-N 3.3Å; Y51-E53 PolarHBondContact O-N 3.15Å |
| 54 | G | 62 | Low | 74.4 | Confident | 52 Ų | 52 | 65 Ų | 65 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | 30.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y51 S52 D56 | Y51-G54 PolarHBondContact O-N 3.45Å; S52-G54 VanDerWaalsContact C-N 3.35Å; G54-D56 PolarHBondContact O-N 3.23Å |
| 55 | F | 60.1 | Low | 75.4 | Confident | 51 Ų | 51 | 68.3 Ų | 68.3 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | trans | -81.5 | 93.1 | 170.1 | -165 | -93.9 | 0 | 0 | 0 | 109.9 | Y49 Y51 E57 F60 | Y49-F55 HydrophobicContact CD1-CD1 4.48Å; Y49-F55 HydrophobicContact CD1-CD2 4.27Å; Y49-F55 HydrophobicContact CD1-CE1 4Å; Y49-F55 AromaticContact CD1-CE2 3.79Å; Y49-F55 HydrophobicContact CD1-CE2 3.79Å; Y49-F55 AromaticContact CD1-CZ 3.66Å; Y49-F55 HydrophobicContact CD1-CZ 3.66Å; Y49-F55 HydrophobicContact CE1-CE2 4.25Å; Y49-F55 HydrophobicContact CE1-CZ 4.11Å; Y51-F55 WeakPolarHBondContact CD1-O 3.47Å; Y51-F55 HydrophobicContact CE1-CD1 4.08Å; Y51-F55 WeakPolarHBondContact CE1-O 3.3Å; F55-E57 HydrophobicContact CD1-CB 4.38Å; F55-E57 HydrophobicContact CE1-CB 3.66Å; F55-E57 HydrophobicContact CE1-CG 4.47Å; F55-E57 WeakPolarHBondContact CE1-O 3.37Å; F55-E57 HydrophobicContact CZ-CB 3.89Å; F55-E57 HydrophobicContact CZ-CG 4.28Å; F55-E57 WeakPolarHBondContact CZ-OE2 3.19Å; F55-F60 HydrophobicContact CE1-CB 4.36Å; F55-F60 AromaticContact CE1-CD1 3.83Å; F55-F60 HydrophobicContact CE1-CD1 3.83Å; F55-F60 HydrophobicContact CE1-CG 4.47Å; F55-F60 HydrophobicContact CZ-CB 4.06Å; F55-F60 HydrophobicContact CZ-CD1 4.22Å; F55-F60 HydrophobicContact CZ-CG 4.44Å | ||
| 56 | D | 64.3 | Low | 76.1 | Confident | 142 Ų | 142 | 67.8 Ų | 67.8 | 76% | 0.759 | 36% | 0.356 | S | S | * | . | trans | -82.9 | -1.5 | -174.6 | -77 | -38 | 0 | 0 | 0 | 114.7 | G54 D58 | G54-D56 PolarHBondContact O-N 3.23Å; D56-D58 PolarHBondContact O-N 2.8Å | ||
| 57 | E | 70.8 | Confident | 76.6 | Confident | 117 Ų | 117 | 68.2 Ų | 68.2 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | trans | -82 | 111.5 | -179.3 | -60.2 | -177.6 | 160 | 0 | 0 | 111.8 | Y51 F55 S59 | Y51-E57 PolarHBondContact OH-O 2.89Å; F55-E57 HydrophobicContact CD1-CB 4.38Å; F55-E57 HydrophobicContact CE1-CB 3.66Å; F55-E57 HydrophobicContact CE1-CG 4.47Å; F55-E57 WeakPolarHBondContact CE1-O 3.37Å; F55-E57 HydrophobicContact CZ-CB 3.89Å; F55-E57 HydrophobicContact CZ-CG 4.28Å; F55-E57 WeakPolarHBondContact CZ-OE2 3.19Å; E57-S59 PolarHBondContact O-N 3.14Å | ||
| 58 | D | 75.8 | Confident | 77 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -56 | -17.4 | 175.5 | -88.5 | 9.7 | 0 | 0 | 0 | 114.6 | D56 R81 K82 | D56-D58 PolarHBondContact O-N 2.8Å; D58-R81 WeakPolarHBondContact O-CA 3.45Å; D58-K82 HydrophobicContact CB-CD 4.3Å; D58-K82 PolarHBondContact O-N 3.39Å; D58-K82 VanDerWaalsContact OD1-CD 3.31Å; D58-K82 WeakPolarHBondContact OD1-CD 3.33Å; D58-K82 WeakPolarHBondContact OD1-CE 3.37Å; D58-K82 IonicContact OD1-NZ 3.35Å; D58-K82 PolarHBondContact OD1-NZ 3.38Å; D58-K82 WeakPolarHBondContact OD2-CE 3.44Å; D58-K82 IonicContact OD2-NZ 3.7Å; D58-K82 PolarHBondContact OD2-NZ 3.03Å |
| 59 | S | 83.1 | Confident | 77.2 | Confident | 42 Ų | 42 | 61 Ų | 61 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 149 | 170.5 | 68.2 | 0 | 0 | 0 | 0 | 112.6 | E57 I80 | E57-S59 PolarHBondContact O-N 3.14Å; S59-I80 CarbonylContact C-O 3.57Å; S59-I80 WeakPolarHBondContact CA-O 3.37Å; S59-I80 WeakPolarHBondContact CB-O 3.21Å |
| 60 | F | 85.4 | Confident | 77.6 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141 | 177.8 | 56.1 | -93 | 0 | 0 | 0 | 111.3 | Y49 F55 Y62 T79 I80 I133 V135 | Y49-F60 AromaticContact CD1-CD1 3.81Å; Y49-F60 HydrophobicContact CD1-CD1 3.81Å; Y49-F60 HydrophobicContact CD1-CD2 4.12Å; Y49-F60 AromaticContact CD1-CE1 3.89Å; Y49-F60 HydrophobicContact CD1-CE1 3.89Å; Y49-F60 HydrophobicContact CD1-CE2 4.2Å; Y49-F60 AromaticContact CD1-CG 3.92Å; Y49-F60 HydrophobicContact CD1-CG 3.92Å; Y49-F60 HydrophobicContact CD1-CZ 4.09Å; Y49-F60 HydrophobicContact CD2-CD2 4.2Å; Y49-F60 AromaticContact CD2-CE1 3.86Å; Y49-F60 HydrophobicContact CD2-CE1 3.86Å; Y49-F60 AromaticContact CD2-CE2 3.51Å; Y49-F60 HydrophobicContact CD2-CE2 3.51Å; Y49-F60 AromaticContact CD2-CZ 3.31Å; Y49-F60 HydrophobicContact CD2-CZ 3.31Å; Y49-F60 HydrophobicContact CE1-CB 4.24Å; Y49-F60 HydrophobicContact CE1-CD1 4.15Å; Y49-F60 AromaticContact CE1-CD2 3.68Å; Y49-F60 HydrophobicContact CE1-CD2 3.68Å; Y49-F60 HydrophobicContact CE1-CE1 4.43Å; Y49-F60 HydrophobicContact CE1-CE2 4Å; Y49-F60 AromaticContact CE1-CG 3.76Å; Y49-F60 HydrophobicContact CE1-CG 3.76Å; Y49-F60 HydrophobicContact CE1-CZ 4.37Å; Y49-F60 AromaticContact CE2-CD2 3.79Å; Y49-F60 HydrophobicContact CE2-CD2 3.79Å; Y49-F60 HydrophobicContact CE2-CE1 4.42Å; Y49-F60 AromaticContact CE2-CE2 3.28Å; Y49-F60 HydrophobicContact CE2-CE2 3.28Å; Y49-F60 AromaticContact CE2-CZ 3.65Å; Y49-F60 HydrophobicContact CE2-CZ 3.65Å; Y49-F60 AromaticContact CG-CD1 3.99Å; Y49-F60 HydrophobicContact CG-CD1 3.99Å; Y49-F60 HydrophobicContact CG-CD2 4.35Å; Y49-F60 AromaticContact CG-CE1 3.57Å; Y49-F60 HydrophobicContact CG-CE1 3.57Å; Y49-F60 AromaticContact CG-CE2 3.97Å; Y49-F60 HydrophobicContact CG-CE2 3.97Å; Y49-F60 HydrophobicContact CG-CG 4.36Å; Y49-F60 AromaticContact CG-CZ 3.56Å; Y49-F60 HydrophobicContact CG-CZ 3.56Å; Y49-F60 AromaticContact CZ-CD2 3.49Å; Y49-F60 VanDerWaalsContact CZ-CD2 3.49Å; Y49-F60 AromaticContact CZ-CE2 3.54Å; F55-F60 HydrophobicContact CE1-CB 4.36Å; F55-F60 AromaticContact CE1-CD1 3.83Å; F55-F60 HydrophobicContact CE1-CD1 3.83Å; F55-F60 HydrophobicContact CE1-CG 4.47Å; F55-F60 HydrophobicContact CZ-CB 4.06Å; F55-F60 HydrophobicContact CZ-CD1 4.22Å; F55-F60 HydrophobicContact CZ-CG 4.44Å; F60-Y62 HydrophobicContact CE2-CD2 4.19Å; F60-Y62 PolarHBondContact O-N 2.86Å; F60-T79 WeakPolarHBondContact O-CA 3.03Å; F60-I80 HydrophobicContact CD2-CB 4.36Å; F60-I80 HydrophobicContact CE1-CB 4.48Å; F60-I80 HydrophobicContact CE2-CB 3.9Å; F60-I80 HydrophobicContact CE2-CD1 3.87Å; F60-I80 HydrophobicContact CE2-CG1 4.21Å; F60-I80 HydrophobicContact CE2-CG2 4.45Å; F60-I80 HydrophobicContact CZ-CB 3.97Å; F60-I80 HydrophobicContact CZ-CD1 4.35Å; F60-I80 HydrophobicContact CZ-CG2 4.07Å; F60-I80 PolarHBondContact N-O 3.14Å; F60-I80 PolarHBondContact O-N 2.96Å; F60-I133 HydrophobicContact CE1-CB 4.24Å; F60-I133 HydrophobicContact CE1-CD1 4.1Å; F60-I133 HydrophobicContact CE1-CG2 4.29Å; F60-I133 HydrophobicContact CZ-CB 4.15Å; F60-I133 HydrophobicContact CZ-CG2 3.79Å; F60-V135 HydrophobicContact CE2-CG2 4.15Å; F60-V135 HydrophobicContact CZ-CG2 4.34Å |
| 61 | T | 84 | Confident | 77.4 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 112.6 | 176 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | K77 T79 | T61-K77 HydrophobicContact CG2-CB 3.95Å; T61-K77 HydrophobicContact CG2-CD 4.07Å; T61-T79 PolarHBondContact OG1-OG1 3.4Å |
| 62 | Y | 88.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.6 | 175.1 | -159.7 | -78.4 | 0 | 0 | 0 | 110.7 | K47 Y49 F60 L64 K77 I78 I80 V135 E137 | K47-Y62 HydrophobicContact CB-CE2 4.01Å; K47-Y62 HydrophobicContact CD-CD2 4.44Å; K47-Y62 HydrophobicContact CD-CE2 3.53Å; K47-Y62 HydrophobicContact CG-CE2 4.33Å; Y49-Y62 HydrophobicContact CE2-CD2 4.26Å; Y49-Y62 HydrophobicContact CE2-CE2 4.34Å; F60-Y62 HydrophobicContact CE2-CD2 4.19Å; F60-Y62 PolarHBondContact O-N 2.86Å; Y62-L64 HydrophobicContact CD1-CD2 3.99Å; Y62-L64 HydrophobicContact CE1-CD2 4.35Å; Y62-K77 CarbonylContact O-C 3.52Å; Y62-K77 WeakPolarHBondContact O-CA 3.45Å; Y62-I78 PolarHBondContact N-O 2.93Å; Y62-I78 PolarHBondContact O-N 3.4Å; Y62-I80 HydrophobicContact CD2-CD1 4.41Å; Y62-I80 HydrophobicContact CG-CD1 4.26Å; Y62-V135 HydrophobicContact CD1-CG1 4.25Å; Y62-V135 HydrophobicContact CD2-CB 3.94Å; Y62-V135 HydrophobicContact CD2-CG1 3.88Å; Y62-V135 HydrophobicContact CD2-CG2 3.79Å; Y62-V135 HydrophobicContact CE1-CG1 3.96Å; Y62-V135 HydrophobicContact CE2-CB 3.48Å; Y62-V135 VanDerWaalsContact CE2-CB 3.48Å; Y62-V135 HydrophobicContact CE2-CG1 3.49Å; Y62-V135 VanDerWaalsContact CE2-CG1 3.49Å; Y62-V135 HydrophobicContact CE2-CG2 3.84Å; Y62-V135 HydrophobicContact CG-CG1 4.22Å; Y62-E137 HydrophobicContact CE1-CG 4.09Å; Y62-E137 PolarHBondContact OH-OE1 3.34Å |
| 63 | E | 85.7 | Confident | 77.9 | Confident | 114 Ų | 114 | 67.1 Ų | 67.1 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.3 | 173.2 | -178.7 | 154.7 | -142.8 | 0 | 0 | 110 | K77 | E63-K77 HydrophobicContact CB-CD 4.36Å; E63-K77 HydrophobicContact CB-CG 4.2Å; E63-K77 HydrophobicContact CG-CD 4.48Å; E63-K77 HydrophobicContact CG-CG 4.23Å; E63-K77 WeakPolarHBondContact OE1-CE 3.48Å; E63-K77 IonicContact OE1-NZ 2.74Å; E63-K77 PolarHBondContact OE1-NZ 2.77Å; E63-K77 IonicContact OE2-NZ 2.69Å; E63-K77 PolarHBondContact OE2-NZ 2.9Å |
| 64 | L | 87.3 | Confident | 78.6 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 137.4 | -172.9 | -62.5 | 171.3 | 0 | 0 | 0 | 110.9 | Y62 Y66 I68 K76 I78 E137 V177 | Y62-L64 HydrophobicContact CD1-CD2 3.99Å; Y62-L64 HydrophobicContact CE1-CD2 4.35Å; L64-Y66 WeakPolarHBondContact CB-O 3.45Å; L64-Y66 PolarHBondContact O-N 2.87Å; L64-I68 HydrophobicContact CD1-CD1 3.96Å; L64-I68 HydrophobicContact CD1-CG1 4.07Å; L64-K76 PolarHBondContact N-O 2.81Å; L64-I78 HydrophobicContact CD1-CG2 4.47Å; L64-I78 HydrophobicContact CD2-CD1 4.22Å; L64-I78 HydrophobicContact CD2-CG1 4.39Å; L64-E137 WeakPolarHBondContact CA-OE2 3.38Å; L64-V177 HydrophobicContact CD2-CG1 4.43Å; L64-V177 HydrophobicContact CD2-CG2 4.01Å |
| 65 | Q | 81 | Confident | 79.8 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | -34.3 | 175.3 | -173.1 | -177.9 | -17.6 | 0 | 0 | 111.8 | E137 Y175 | Q65-E137 WeakPolarHBondContact CB-OE2 3.43Å; Q65-E137 PolarHBondContact N-OE2 2.91Å; Q65-Y175 PolarHBondContact N-OH 2.81Å |
| 66 | Y | 83.2 | Confident | 81.1 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 36% | 0.357 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.3 | 173.7 | -58.1 | -77.6 | 0 | 0 | 0 | 111 | L64 D139 Y175 | L64-Y66 WeakPolarHBondContact CB-O 3.45Å; L64-Y66 PolarHBondContact O-N 2.87Å; Y66-D139 HydrophobicContact CE2-CB 4.12Å; Y66-Y175 AromaticContact CD2-CD2 3.72Å; Y66-Y175 HydrophobicContact CD2-CD2 3.72Å; Y66-Y175 AromaticContact CD2-CE2 3.74Å; Y66-Y175 HydrophobicContact CD2-CE2 3.74Å; Y66-Y175 HydrophobicContact CD2-CG 4.25Å; Y66-Y175 VanDerWaalsContact O-CE1 3.25Å; Y66-Y175 WeakPolarHBondContact O-CE1 3.41Å |
| 67 | P | 83.8 | Confident | 82.2 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 137 | 176.9 | -21.5 | 33.7 | 0 | 0 | 0 | 112.6 | L74 I75 K76 | P67-L74 HydrophobicContact CB-CB 4.4Å; P67-L74 HydrophobicContact CB-CD2 4.41Å; P67-I75 CarbonylContact C-O 3.47Å; P67-I75 VanDerWaalsContact CA-O 3.26Å; P67-I75 WeakPolarHBondContact CA-O 3.37Å; P67-K76 HydrophobicContact CB-CG 4.03Å; P67-K76 HydrophobicContact CG-CG 3.99Å |
| 68 | I | 86.6 | Confident | 83.2 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.8 | -179.4 | -60.1 | 178.2 | 0 | 0 | 0 | 110 | L64 I70 I75 Y175 V177 I201 S208 | L64-I68 HydrophobicContact CD1-CD1 3.96Å; L64-I68 HydrophobicContact CD1-CG1 4.07Å; I68-I70 HydrophobicContact CG2-CD1 4.39Å; I68-I70 HydrophobicContact CG2-CG1 4.04Å; I68-I70 PolarHBondContact O-N 3.37Å; I68-I75 PolarHBondContact N-O 3.41Å; I68-I75 PolarHBondContact O-N 3.26Å; I68-Y175 HydrophobicContact CD1-CD1 4.19Å; I68-Y175 HydrophobicContact CD1-CE1 3.8Å; I68-Y175 HydrophobicContact CG1-CD1 3.93Å; I68-Y175 HydrophobicContact CG1-CE1 3.7Å; I68-V177 HydrophobicContact CD1-CG2 3.8Å; I68-I201 HydrophobicContact CD1-CG2 4.02Å; I68-I201 HydrophobicContact CG2-CG2 4.12Å; I68-S208 VanDerWaalsContact CG2-OG 3.25Å; I68-S208 WeakPolarHBondContact CG2-OG 3.44Å |
| 69 | P | 83.8 | Confident | 83.8 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.2 | 170.6 | 28.7 | -32 | 0 | 0 | 0 | 111.1 | T73 L74 I206 S208 | P69-T73 CarbonylContact C-O 3.36Å; P69-T73 WeakPolarHBondContact CA-O 3.38Å; P69-L74 HydrophobicContact CB-CD2 4Å; P69-I206 VanDerWaalsContact CG-C 3.46Å; P69-I206 WeakPolarHBondContact CG-O 3.47Å; P69-S208 VanDerWaalsContact O-CB 3.29Å; P69-S208 WeakPolarHBondContact O-CB 3.36Å; P69-S208 PolarHBondContact O-OG 3.24Å |
| 70 | I | 84 | Confident | 84.1 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 119.6 | 173.9 | -64.2 | -177.7 | 0 | 0 | 0 | 107.1 | I68 E72 T73 I75 L88 M238 L274 | I68-I70 HydrophobicContact CG2-CD1 4.39Å; I68-I70 HydrophobicContact CG2-CG1 4.04Å; I68-I70 PolarHBondContact O-N 3.37Å; I70-E72 PolarHBondContact O-N 2.82Å; I70-T73 PolarHBondContact N-O 3.16Å; I70-T73 PolarHBondContact O-N 3.4Å; I70-T73 PolarHBondContact O-OG1 3.41Å; I70-I75 HydrophobicContact CB-CG1 4.05Å; I70-I75 HydrophobicContact CD1-CG1 4.1Å; I70-I75 HydrophobicContact CG1-CG1 4.21Å; I70-L88 HydrophobicContact CD1-CD1 4.03Å; I70-L88 HydrophobicContact CD1-CD2 4.27Å; I70-L88 HydrophobicContact CG2-CD1 3.92Å; I70-M238 HydrophobicContact CG2-CE 3.83Å; I70-L274 HydrophobicContact CD1-CD1 3.96Å; I70-L274 HydrophobicContact CG1-CB 4.26Å; I70-L274 HydrophobicContact CG1-CD1 4.04Å; I70-L274 HydrophobicContact CG2-CB 4.27Å |
| 71 | Y | 73.6 | Confident | 84.2 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 38.8 | 62.7 | -175.7 | -71.1 | -99.3 | 0 | 0 | 0 | 113 | T73 I236 M238 Y244 L274 Y275 K276 | Y71-T73 PolarHBondContact O-N 3.32Å; Y71-I236 HydrophobicContact CE2-CD1 4.18Å; Y71-I236 HydrophobicContact CE2-CG2 4.06Å; Y71-M238 HydrophobicContact CD2-CE 3.54Å; Y71-M238 HydrophobicContact CD2-SD 4.04Å; Y71-M238 HydrophobicContact CE2-CE 4.19Å; Y71-M238 HydrophobicContact CG-CE 4.06Å; Y71-M238 HydrophobicContact CG-SD 4.02Å; Y71-Y244 HydrophobicContact CE1-CE2 4.44Å; Y71-L274 VanDerWaalsContact CD2-C 3.49Å; Y71-L274 VanDerWaalsContact CD2-O 3.28Å; Y71-L274 WeakPolarHBondContact CD2-O 3.46Å; Y71-L274 PolarHBondContact N-O 2.83Å; Y71-Y275 VanDerWaalsContact CE1-C 3.47Å; Y71-K276 HydrophobicContact CE1-CB 4.48Å |
| 72 | E | 69.1 | Low | 84.1 | Confident | 203 Ų | 203 | 51.8 Ų | 51.8 | 95% | 0.949 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -4.7 | -179.9 | -58.8 | 174.3 | -162.6 | 0 | 0 | 116.1 | I70 | I70-E72 PolarHBondContact O-N 2.82Š|
| 73 | T | 76.1 | Confident | 83.7 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 23% | 0.233 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134 | 177.2 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | P69 I70 Y71 I75 | P69-T73 CarbonylContact C-O 3.36Å; P69-T73 WeakPolarHBondContact CA-O 3.38Å; I70-T73 PolarHBondContact N-O 3.16Å; I70-T73 PolarHBondContact O-N 3.4Å; I70-T73 PolarHBondContact O-OG1 3.41Å; Y71-T73 PolarHBondContact O-N 3.32Å; T73-I75 PolarHBondContact O-N 2.93Å; T73-I75 WeakPolarHBondContact OG1-CD1 3.23Å |
| 74 | L | 82.8 | Confident | 83.5 | Confident | 111 Ų | 111 | 46.5 Ų | 46.5 | 58% | 0.581 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 98.4 | 178.4 | -76.8 | 169.2 | 0 | 0 | 0 | 110.9 | P67 P69 K76 | P67-L74 HydrophobicContact CB-CB 4.4Å; P67-L74 HydrophobicContact CB-CD2 4.41Å; P69-L74 HydrophobicContact CB-CD2 4Å; L74-K76 PolarHBondContact O-N 2.9Å |
| 75 | I | 87.9 | Confident | 83.5 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116.9 | -177.9 | -52.7 | -48.6 | 0 | 0 | 0 | 109.8 | P67 I68 I70 T73 K77 I78 L88 | P67-I75 CarbonylContact C-O 3.47Å; P67-I75 VanDerWaalsContact CA-O 3.26Å; P67-I75 WeakPolarHBondContact CA-O 3.37Å; I68-I75 PolarHBondContact N-O 3.41Å; I68-I75 PolarHBondContact O-N 3.26Å; I70-I75 HydrophobicContact CB-CG1 4.05Å; I70-I75 HydrophobicContact CD1-CG1 4.1Å; I70-I75 HydrophobicContact CG1-CG1 4.21Å; T73-I75 PolarHBondContact O-N 2.93Å; T73-I75 WeakPolarHBondContact OG1-CD1 3.23Å; I75-K77 WeakPolarHBondContact CG2-O 3.29Å; I75-I78 HydrophobicContact CG2-CG2 3.57Å; I75-L88 HydrophobicContact CD1-CB 3.99Å; I75-L88 HydrophobicContact CG1-CB 4.3Å; I75-L88 HydrophobicContact CG2-CB 4.34Å; I75-L88 HydrophobicContact CG2-CD2 4.5Å |
| 76 | K | 86.3 | Confident | 84 | Confident | 136 Ų | 136 | 41.6 Ų | 41.6 | 59% | 0.591 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -27.3 | 179.2 | -58.9 | -168.8 | 177.7 | -179 | 0 | 113.7 | L64 P67 L74 | L64-K76 PolarHBondContact N-O 2.81Å; P67-K76 HydrophobicContact CB-CG 4.03Å; P67-K76 HydrophobicContact CG-CG 3.99Å; L74-K76 PolarHBondContact O-N 2.9Å |
| 77 | K | 88 | Confident | 84.3 | Confident | 92 Ų | 92 | 37.3 Ų | 37.3 | 40% | 0.4 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.7 | 179.5 | -53.9 | -165.7 | -173.3 | -137.1 | 0 | 108.4 | T61 Y62 E63 I75 | T61-K77 HydrophobicContact CG2-CB 3.95Å; T61-K77 HydrophobicContact CG2-CD 4.07Å; Y62-K77 CarbonylContact O-C 3.52Å; Y62-K77 WeakPolarHBondContact O-CA 3.45Å; E63-K77 HydrophobicContact CB-CD 4.36Å; E63-K77 HydrophobicContact CB-CG 4.2Å; E63-K77 HydrophobicContact CG-CD 4.48Å; E63-K77 HydrophobicContact CG-CG 4.23Å; E63-K77 WeakPolarHBondContact OE1-CE 3.48Å; E63-K77 IonicContact OE1-NZ 2.74Å; E63-K77 PolarHBondContact OE1-NZ 2.77Å; E63-K77 IonicContact OE2-NZ 2.69Å; E63-K77 PolarHBondContact OE2-NZ 2.9Å; I75-K77 WeakPolarHBondContact CG2-O 3.29Å |
| 78 | I | 90.4 | Very high | 84.5 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.4 | 172.4 | 53.6 | 176.8 | 0 | 0 | 0 | 108.9 | Y62 L64 I75 I80 A87 L88 I179 | Y62-I78 PolarHBondContact N-O 2.93Å; Y62-I78 PolarHBondContact O-N 3.4Å; L64-I78 HydrophobicContact CD1-CG2 4.47Å; L64-I78 HydrophobicContact CD2-CD1 4.22Å; L64-I78 HydrophobicContact CD2-CG1 4.39Å; I75-I78 HydrophobicContact CG2-CG2 3.57Å; I78-I80 HydrophobicContact CD1-CD1 4Å; I78-I80 HydrophobicContact CD1-CG1 4.13Å; I78-I80 HydrophobicContact CG1-CD1 4.19Å; I78-I80 HydrophobicContact CG1-CG1 4.01Å; I78-A87 WeakPolarHBondContact CA-O 3.35Å; I78-L88 HydrophobicContact CG2-CD2 3.83Å; I78-I179 HydrophobicContact CD1-CD1 3.8Å |
| 79 | T | 89.8 | Confident | 84.4 | Confident | 21 Ų | 21 | 36.2 Ų | 36.2 | 13% | 0.129 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 111.5 | 172.9 | -59.4 | 0 | 0 | 0 | 0 | 108.3 | F60 T61 L86 A87 | F60-T79 WeakPolarHBondContact O-CA 3.03Å; T61-T79 PolarHBondContact OG1-OG1 3.4Å; T79-L86 WeakPolarHBondContact O-CA 3.39Å; T79-A87 PolarHBondContact N-O 3.22Å; T79-A87 PolarHBondContact O-N 3.5Å |
| 80 | I | 89.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.5 | -174.2 | -50.5 | -175.7 | 0 | 0 | 0 | 107.8 | S59 F60 Y62 I78 L86 I133 V135 I179 W181 | S59-I80 CarbonylContact C-O 3.57Å; S59-I80 WeakPolarHBondContact CA-O 3.37Å; S59-I80 WeakPolarHBondContact CB-O 3.21Å; F60-I80 HydrophobicContact CD2-CB 4.36Å; F60-I80 HydrophobicContact CE1-CB 4.48Å; F60-I80 HydrophobicContact CE2-CB 3.9Å; F60-I80 HydrophobicContact CE2-CD1 3.87Å; F60-I80 HydrophobicContact CE2-CG1 4.21Å; F60-I80 HydrophobicContact CE2-CG2 4.45Å; F60-I80 HydrophobicContact CZ-CB 3.97Å; F60-I80 HydrophobicContact CZ-CD1 4.35Å; F60-I80 HydrophobicContact CZ-CG2 4.07Å; F60-I80 PolarHBondContact N-O 3.14Å; F60-I80 PolarHBondContact O-N 2.96Å; Y62-I80 HydrophobicContact CD2-CD1 4.41Å; Y62-I80 HydrophobicContact CG-CD1 4.26Å; I78-I80 HydrophobicContact CD1-CD1 4Å; I78-I80 HydrophobicContact CD1-CG1 4.13Å; I78-I80 HydrophobicContact CG1-CD1 4.19Å; I78-I80 HydrophobicContact CG1-CG1 4.01Å; I80-L86 HydrophobicContact CB-CD2 4.15Å; I80-L86 HydrophobicContact CG1-CD2 3.9Å; I80-L86 HydrophobicContact CG2-CD2 3.9Å; I80-I133 HydrophobicContact CG2-CG2 4.18Å; I80-V135 HydrophobicContact CD1-CG2 3.52Å; I80-I179 HydrophobicContact CD1-CD1 3.94Å; I80-I179 HydrophobicContact CD1-CG1 4.37Å; I80-I179 HydrophobicContact CD1-CG2 4.37Å; I80-I179 HydrophobicContact CG2-CG2 4.03Å; I80-W181 HydrophobicContact CG2-CZ2 3.96Å |
| 81 | R | 87.8 | Confident | 83.9 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 6% | 0.06 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 152.6 | -178.2 | -51.6 | -167.8 | 67.6 | 153.1 | -14.8 | 111.9 | D58 N83 G84 L85 L96 P97 S98 W181 | D58-R81 WeakPolarHBondContact O-CA 3.45Å; R81-N83 VanDerWaalsContact CB-OD1 3.31Å; R81-N83 WeakPolarHBondContact CB-OD1 3.04Å; R81-N83 PolarHBondContact O-N 2.04Å; R81-G84 PolarHBondContact O-N 3.31Å; R81-L85 HydrophobicContact CB-CB 4.41Å; R81-L85 HydrophobicContact CG-CD2 4.26Å; R81-L85 PolarHBondContact N-O 3.08Å; R81-L96 PolarHBondContact NH1-O 2.84Å; R81-P97 PolarHBondContact NH1-O 3.31Å; R81-P97 VanDerWaalsContact NH1-O 3.16Å; R81-P97 PolarHBondContact NH2-O 2.03Å; R81-S98 VanDerWaalsContact NH2-C 3.26Å; R81-S98 PolarHBondContact NH2-O 2.81Å; R81-W181 PolarHBondContact O-NE1 3.46Å; R81-W181 VanDerWaalsContact O-NE1 3.07Å |
| 82 | K | 81.6 | Confident | 84.3 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -37.5 | 177 | 68.3 | 177.3 | 178.8 | -171.5 | 0 | 113.7 | Y51 D58 G84 D127 W181 M184 Y197 | Y51-K82 HydrophobicContact CE1-CB 4.44Å; D58-K82 HydrophobicContact CB-CD 4.3Å; D58-K82 PolarHBondContact O-N 3.39Å; D58-K82 VanDerWaalsContact OD1-CD 3.31Å; D58-K82 WeakPolarHBondContact OD1-CD 3.33Å; D58-K82 WeakPolarHBondContact OD1-CE 3.37Å; D58-K82 IonicContact OD1-NZ 3.35Å; D58-K82 PolarHBondContact OD1-NZ 3.38Å; D58-K82 WeakPolarHBondContact OD2-CE 3.44Å; D58-K82 IonicContact OD2-NZ 3.7Å; D58-K82 PolarHBondContact OD2-NZ 3.03Å; K82-G84 VanDerWaalsContact C-N 3.3Å; K82-G84 PolarHBondContact O-N 3.48Å; K82-D127 WeakPolarHBondContact CE-OD1 3.42Å; K82-D127 PolarHBondContact NZ-O 3.03Å; K82-D127 IonicContact NZ-OD1 3.06Å; K82-W181 PolarHBondContact O-NE1 2.88Å; K82-M184 HydrophobicContact CB-CE 4.1Å; K82-Y197 PolarHBondContact O-OH 2.95Å |
| 83 | N | 78.6 | Confident | 84.5 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.7 | -170.4 | 63.7 | 1 | 0 | 0 | 0 | 115.3 | R81 L85 Y100 F122 S123 N126 Y197 | R81-N83 VanDerWaalsContact CB-OD1 3.31Å; R81-N83 WeakPolarHBondContact CB-OD1 3.04Å; R81-N83 PolarHBondContact O-N 2.04Å; N83-L85 VanDerWaalsContact OD1-CB 3.29Å; N83-L85 WeakPolarHBondContact OD1-CB 3.42Å; N83-L85 PolarHBondContact OD1-N 2.85Å; N83-L85 VanDerWaalsContact OD1-N 3.07Å; N83-Y100 PolarHBondContact ND2-O 3Å; N83-F122 CarbonylContact O-C 3.46Å; N83-S123 WeakPolarHBondContact CB-O 3.14Å; N83-S123 PolarHBondContact ND2-O 2.04Å; N83-N126 PolarHBondContact O-ND2 3.26Å; N83-Y197 PolarHBondContact O-OH 2.85Å |
| 84 | G | 83.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 114.7 | 9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | R81 K82 I121 F122 | R81-G84 PolarHBondContact O-N 3.31Å; K82-G84 VanDerWaalsContact C-N 3.3Å; K82-G84 PolarHBondContact O-N 3.48Å; G84-I121 WeakPolarHBondContact O-CG2 3.27Å; G84-I121 PolarHBondContact O-N 2.76Å; G84-I121 VanDerWaalsContact O-N 3.15Å; G84-F122 CarbonylContact C-O 3.59Å; G84-F122 WeakPolarHBondContact CA-O 3.05Å |
| 85 | L | 87.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 143.3 | -179.7 | -169.7 | 128.2 | 0 | 0 | 0 | 113.6 | R81 N83 L96 L111 Y118 | R81-L85 HydrophobicContact CB-CB 4.41Å; R81-L85 HydrophobicContact CG-CD2 4.26Å; R81-L85 PolarHBondContact N-O 3.08Å; N83-L85 VanDerWaalsContact OD1-CB 3.29Å; N83-L85 WeakPolarHBondContact OD1-CB 3.42Å; N83-L85 PolarHBondContact OD1-N 2.85Å; N83-L85 VanDerWaalsContact OD1-N 3.07Å; L85-L96 HydrophobicContact CD1-CD2 4.07Å; L85-L96 HydrophobicContact CD2-CD2 3.54Å; L85-L96 HydrophobicContact CG-CD2 4.44Å; L85-L111 HydrophobicContact CD1-CD1 3.58Å; L85-L111 HydrophobicContact CD1-CD2 3.5Å; L85-L111 VanDerWaalsContact CD1-CD2 3.5Å; L85-L111 HydrophobicContact CD1-CG 4.14Å; L85-Y118 HydrophobicContact CD2-CD1 4.15Å |
| 86 | L | 89.9 | Confident | 84 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.8 | 169.2 | -52.1 | -177.3 | 0 | 0 | 0 | 109.9 | T79 I80 L88 Y118 L119 I179 W181 M199 I201 | T79-L86 WeakPolarHBondContact O-CA 3.39Å; I80-L86 HydrophobicContact CB-CD2 4.15Å; I80-L86 HydrophobicContact CG1-CD2 3.9Å; I80-L86 HydrophobicContact CG2-CD2 3.9Å; L86-L88 HydrophobicContact CB-CD2 4.45Å; L86-Y118 WeakPolarHBondContact O-CA 3.1Å; L86-L119 HydrophobicContact CB-CB 4.16Å; L86-L119 HydrophobicContact CD1-CB 4.31Å; L86-L119 PolarHBondContact N-O 2.97Å; L86-L119 PolarHBondContact O-N 2.97Å; L86-I179 HydrophobicContact CD1-CD1 3.84Å; L86-I179 HydrophobicContact CD2-CD1 3.77Å; L86-I179 HydrophobicContact CG-CD1 4.48Å; L86-W181 HydrophobicContact CD2-CH2 4.11Å; L86-W181 HydrophobicContact CD2-CZ2 4.28Å; L86-M199 HydrophobicContact CD1-CE 4.03Å; L86-M199 HydrophobicContact CD1-SD 3.5Å; L86-M199 WeakPolarHBondContact CD1-SD 3.36Å; L86-M199 HydrophobicContact CG-CE 4.33Å; L86-M199 HydrophobicContact CG-SD 4.41Å; L86-I201 HydrophobicContact CD1-CD1 4.33Å |
| 87 | A | 89.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.5 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | I78 T79 Y118 | I78-A87 WeakPolarHBondContact CA-O 3.35Å; T79-A87 PolarHBondContact N-O 3.22Å; T79-A87 PolarHBondContact O-N 3.5Å; A87-Y118 HydrophobicContact CB-CD1 4.21Å; A87-Y118 HydrophobicContact CB-CE1 4.38Å |
| 88 | L | 89.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | -94.6 | -7.5 | -168 | -56.2 | -177.5 | 0 | 0 | 0 | 114.6 | I70 I75 I78 L86 R117 L119 M238 | I70-L88 HydrophobicContact CD1-CD1 4.03Å; I70-L88 HydrophobicContact CD1-CD2 4.27Å; I70-L88 HydrophobicContact CG2-CD1 3.92Å; I75-L88 HydrophobicContact CD1-CB 3.99Å; I75-L88 HydrophobicContact CG1-CB 4.3Å; I75-L88 HydrophobicContact CG2-CB 4.34Å; I75-L88 HydrophobicContact CG2-CD2 4.5Å; I78-L88 HydrophobicContact CG2-CD2 3.83Å; L86-L88 HydrophobicContact CB-CD2 4.45Å; L88-R117 HydrophobicContact CB-CB 4.02Å; L88-R117 HydrophobicContact CD1-CB 4.23Å; L88-R117 HydrophobicContact CG-CB 4.42Å; L88-R117 PolarHBondContact N-O 2.95Å; L88-L119 HydrophobicContact CD1-CD1 4.45Å; L88-M238 HydrophobicContact CD1-CE 4.42Å | ||
| 89 | D | 83.9 | Confident | 81.3 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.193 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -152.4 | 171.3 | 173.2 | 53.8 | 55.7 | 0 | 0 | 0 | 110.6 | I91 S92 G93 R117 | D89-I91 PolarHBondContact OD1-N 3.12Å; D89-S92 VanDerWaalsContact CG-OG 3.29Å; D89-S92 WeakPolarHBondContact O-CB 3.04Å; D89-S92 PolarHBondContact O-N 3.15Å; D89-S92 WeakPolarHBondContact OD1-CB 3.42Å; D89-S92 PolarHBondContact OD1-N 3.24Å; D89-S92 PolarHBondContact OD1-OG 3.44Å; D89-G93 PolarHBondContact O-N 2.94Å; D89-G93 VanDerWaalsContact O-N 3.12Å; D89-R117 WeakPolarHBondContact OD2-CD 3.44Å; D89-R117 IonicContact OD2-CZ 2.71Å; D89-R117 IonicContact OD2-NE 3.52Å; D89-R117 IonicContact OD2-NH1 3.73Å; D89-R117 PolarHBondContact OD2-NH1 3.1Å |
| 90 | S | 78.9 | Confident | 80.5 | Confident | 82 Ų | 82 | 34.5 Ų | 34.5 | 57% | 0.573 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.4 | -43.9 | -177.9 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | S92 G93 D94 | S90-S92 PolarHBondContact O-N 3.16Å; S90-G93 CarbonylContact O-C 3.53Å; S90-G93 VanDerWaalsContact O-CA 3.31Å; S90-G93 WeakPolarHBondContact O-CA 3.05Å; S90-G93 PolarHBondContact O-N 3.1Å; S90-D94 VanDerWaalsContact C-OD2 3.31Å; S90-D94 WeakPolarHBondContact O-CB 3.19Å; S90-D94 PolarHBondContact O-N 2.73Å |
| 91 | I | 77 | Confident | 79.4 | Confident | 102 Ų | 102 | 34.5 Ų | 34.5 | 52% | 0.523 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.1 | -41.1 | 178.5 | -59.1 | 168.8 | 0 | 0 | 0 | 110.5 | D89 D94 N95 | D89-I91 PolarHBondContact OD1-N 3.12Å; I91-D94 PolarHBondContact O-N 2.96Å; I91-N95 WeakPolarHBondContact O-CB 3.48Å; I91-N95 PolarHBondContact O-N 2.85Å; I91-N95 PolarHBondContact O-ND2 2.69Å |
| 92 | S | 82 | Confident | 78.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 174.6 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | D89 S90 L96 G116 R117 Y118 | D89-S92 VanDerWaalsContact CG-OG 3.29Å; D89-S92 WeakPolarHBondContact O-CB 3.04Å; D89-S92 PolarHBondContact O-N 3.15Å; D89-S92 WeakPolarHBondContact OD1-CB 3.42Å; D89-S92 PolarHBondContact OD1-N 3.24Å; D89-S92 PolarHBondContact OD1-OG 3.44Å; S90-S92 PolarHBondContact O-N 3.16Å; S92-L96 WeakPolarHBondContact O-CB 3.13Å; S92-L96 PolarHBondContact O-N 2.88Å; S92-G116 WeakPolarHBondContact OG-CA 3.46Å; S92-R117 PolarHBondContact OG-N 2.82Å; S92-R117 PolarHBondContact OG-O 2.82Å; S92-Y118 VanDerWaalsContact O-CE1 3.25Å; S92-Y118 WeakPolarHBondContact O-CE1 3.34Å; S92-Y118 PolarHBondContact O-OH 2.84Å |
| 93 | G | 75 | Confident | 77.8 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D89 S90 | D89-G93 PolarHBondContact O-N 2.94Å; D89-G93 VanDerWaalsContact O-N 3.12Å; S90-G93 CarbonylContact O-C 3.53Å; S90-G93 VanDerWaalsContact O-CA 3.31Å; S90-G93 WeakPolarHBondContact O-CA 3.05Å; S90-G93 PolarHBondContact O-N 3.1Å |
| 94 | D | 77.9 | Confident | 77.2 | Confident | 128 Ų | 128 | 38.6 Ų | 38.6 | 68% | 0.684 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -75.1 | -35.5 | -176.6 | -57.8 | -36.5 | 0 | 0 | 0 | 111.9 | S90 I91 | S90-D94 VanDerWaalsContact C-OD2 3.31Å; S90-D94 WeakPolarHBondContact O-CB 3.19Å; S90-D94 PolarHBondContact O-N 2.73Å; I91-D94 PolarHBondContact O-N 2.96Å |
| 95 | N | 80.7 | Confident | 76.1 | Confident | 72 Ų | 72 | 41 Ų | 41 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -80.6 | -21.9 | -178.9 | -75.3 | -11.9 | 0 | 0 | 0 | 114.5 | I91 F114 D115 | I91-N95 WeakPolarHBondContact O-CB 3.48Å; I91-N95 PolarHBondContact O-N 2.85Å; I91-N95 PolarHBondContact O-ND2 2.69Å; N95-F114 WeakPolarHBondContact O-CD1 3.33Å; N95-D115 WeakPolarHBondContact CB-O 3.46Å; N95-D115 PolarHBondContact ND2-O 3.27Å |
| 96 | L | 77.1 | Confident | 74.6 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -93.6 | 121.3 | -176.2 | -158.7 | 81.4 | 0 | 0 | 0 | 111.2 | R81 L85 S92 S98 Y100 L111 F114 Y118 | R81-L96 PolarHBondContact NH1-O 2.84Å; L85-L96 HydrophobicContact CD1-CD2 4.07Å; L85-L96 HydrophobicContact CD2-CD2 3.54Å; L85-L96 HydrophobicContact CG-CD2 4.44Å; S92-L96 WeakPolarHBondContact O-CB 3.13Å; S92-L96 PolarHBondContact O-N 2.88Å; L96-S98 PolarHBondContact O-N 2.02Å; L96-Y100 HydrophobicContact CD1-CD2 4.45Å; L96-Y100 HydrophobicContact CD1-CG 4.35Å; L96-Y100 HydrophobicContact CD2-CD1 3.98Å; L96-Y100 HydrophobicContact CD2-CG 4.14Å; L96-Y100 HydrophobicContact CG-CD1 4.41Å; L96-Y100 HydrophobicContact CG-CG 4.11Å; L96-L111 HydrophobicContact CD1-CD2 3.67Å; L96-L111 HydrophobicContact CD2-CD2 4.15Å; L96-F114 HydrophobicContact CD1-CB 4.15Å; L96-F114 HydrophobicContact CD1-CD1 4.44Å; L96-F114 HydrophobicContact CD1-CD2 3.58Å; L96-F114 HydrophobicContact CD1-CE2 4.08Å; L96-F114 HydrophobicContact CD1-CG 3.8Å; L96-Y118 HydrophobicContact CB-CE1 3.87Å; L96-Y118 HydrophobicContact CD1-CE1 3.98Å; L96-Y118 HydrophobicContact CD2-CD1 4.37Å; L96-Y118 HydrophobicContact CD2-CE1 4.17Å; L96-Y118 HydrophobicContact CG-CE1 4.23Å |
| 97 | P | 74.1 | Confident | 73.4 | Confident | 55 Ų | 55 | 50 Ų | 50 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | trans | -47.9 | 140.5 | -173.9 | -30.5 | 34.5 | 0 | 0 | 0 | 114.4 | R81 A99 Y100 F114 | R81-P97 PolarHBondContact NH1-O 3.31Å; R81-P97 VanDerWaalsContact NH1-O 3.16Å; R81-P97 PolarHBondContact NH2-O 2.03Å; P97-A99 PolarHBondContact O-N 2.73Å; P97-A99 VanDerWaalsContact O-N 3.15Å; P97-Y100 WeakPolarHBondContact O-CB 3.28Å; P97-Y100 PolarHBondContact O-N 2.94Å; P97-F114 VanDerWaalsContact CD-CE1 3.44Å; P97-F114 HydrophobicContact CG-CE1 3.81Å; P97-F114 HydrophobicContact CG-CZ 3.98Å | ||
| 98 | S | 68.1 | Low | 72 | Confident | 104 Ų | 104 | 55.3 Ų | 55.3 | 73% | 0.727 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.7 | -179.8 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | R81 L96 | R81-S98 VanDerWaalsContact NH2-C 3.26Å; R81-S98 PolarHBondContact NH2-O 2.81Å; L96-S98 PolarHBondContact O-N 2.02Å |
| 99 | A | 66 | Low | 70.9 | Confident | 55 Ų | 55 | 58 Ų | 58 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 15.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | P97 V102 | P97-A99 PolarHBondContact O-N 2.73Å; P97-A99 VanDerWaalsContact O-N 3.15Å; A99-V102 HydrophobicContact CB-CB 4.31Å; A99-V102 VanDerWaalsContact O-CB 3.25Å; A99-V102 WeakPolarHBondContact O-CB 2.99Å; A99-V102 VanDerWaalsContact O-CG2 3.3Å; A99-V102 WeakPolarHBondContact O-CG2 3.36Å; A99-V102 PolarHBondContact O-N 3.29Å |
| 100 | Y | 73.3 | Confident | 70.4 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 126.9 | 179.7 | -174.4 | -93.5 | 0 | 0 | 0 | 111.3 | N83 L96 P97 T104 L111 F114 E233 | N83-Y100 PolarHBondContact ND2-O 3Å; L96-Y100 HydrophobicContact CD1-CD2 4.45Å; L96-Y100 HydrophobicContact CD1-CG 4.35Å; L96-Y100 HydrophobicContact CD2-CD1 3.98Å; L96-Y100 HydrophobicContact CD2-CG 4.14Å; L96-Y100 HydrophobicContact CG-CD1 4.41Å; L96-Y100 HydrophobicContact CG-CG 4.11Å; P97-Y100 WeakPolarHBondContact O-CB 3.28Å; P97-Y100 PolarHBondContact O-N 2.94Å; Y100-T104 HydrophobicContact CD2-CG2 4.06Å; Y100-T104 HydrophobicContact CE2-CG2 3.56Å; Y100-L111 HydrophobicContact CE1-CD1 4.09Å; Y100-L111 HydrophobicContact CE1-CD2 4.16Å; Y100-L111 HydrophobicContact CE1-CG 3.81Å; Y100-L111 PolarHBondContact OH-N 2.85Å; Y100-F114 HydrophobicContact CD2-CE2 4.09Å; Y100-F114 HydrophobicContact CD2-CZ 4.34Å; Y100-F114 AromaticContact CE2-CE2 3.81Å; Y100-F114 HydrophobicContact CE2-CE2 3.81Å; Y100-F114 HydrophobicContact CE2-CZ 4.4Å; Y100-E233 PolarHBondContact OH-OE2 2.72Å |
| 101 | P | 66.6 | Low | 70.1 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -109.9 | 23.7 | 19 | 41.8 | -34.3 | 0 | 0 | 0 | 115.1 | T104 S123 A229 | P101-T104 HydrophobicContact CB-CG2 4.05Å; P101-T104 WeakPolarHBondContact O-CB 3.34Å; P101-T104 VanDerWaalsContact O-CG2 3.24Å; P101-T104 WeakPolarHBondContact O-CG2 3.26Å; P101-T104 PolarHBondContact O-N 3.35Å; P101-T104 PolarHBondContact O-OG1 2.97Å; P101-S123 WeakPolarHBondContact CD-O 3.21Å; P101-S123 VanDerWaalsContact CG-O 3.26Å; P101-S123 WeakPolarHBondContact CG-O 3.16Å; P101-A229 HydrophobicContact CG-CB 4.23Å |
| 102 | V | 72.2 | Confident | 69.9 | Low | 52 Ų | 52 | 50.7 Ų | 50.7 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 143.1 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | A99 T104 N227 | A99-V102 HydrophobicContact CB-CB 4.31Å; A99-V102 VanDerWaalsContact O-CB 3.25Å; A99-V102 WeakPolarHBondContact O-CB 2.99Å; A99-V102 VanDerWaalsContact O-CG2 3.3Å; A99-V102 WeakPolarHBondContact O-CG2 3.36Å; A99-V102 PolarHBondContact O-N 3.29Å; V102-T104 PolarHBondContact O-N 3Å; V102-T104 VanDerWaalsContact O-N 3.1Å; V102-N227 WeakPolarHBondContact CA-O 3.48Å; V102-N227 HydrophobicContact CG2-CB 4.49Å |
| 103 | N | 63.9 | Low | 69.4 | Low | 75 Ų | 75 | 54.4 Ų | 54.4 | 40% | 0.401 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 8.8 | -177.3 | -64.9 | -17.4 | 0 | 0 | 0 | 116.5 | S105 I106 T107 N227 L228 | N103-S105 PolarHBondContact O-N 2.68Å; N103-S105 VanDerWaalsContact O-N 3.17Å; N103-I106 PolarHBondContact O-N 2.94Å; N103-T107 PolarHBondContact O-N 3.45Å; N103-T107 VanDerWaalsContact O-N 3.07Å; N103-N227 PolarHBondContact N-O 2.71Å; N103-L228 CarbonylContact C-O 3.49Å; N103-L228 WeakPolarHBondContact CA-O 3.36Å; N103-L228 PolarHBondContact N-O 2.04Å |
| 104 | T | 65.5 | Low | 69.6 | Low | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -24 | 176.3 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | Y100 P101 V102 I106 N108 Q109 L228 A229 L230 | Y100-T104 HydrophobicContact CD2-CG2 4.06Å; Y100-T104 HydrophobicContact CE2-CG2 3.56Å; P101-T104 HydrophobicContact CB-CG2 4.05Å; P101-T104 WeakPolarHBondContact O-CB 3.34Å; P101-T104 VanDerWaalsContact O-CG2 3.24Å; P101-T104 WeakPolarHBondContact O-CG2 3.26Å; P101-T104 PolarHBondContact O-N 3.35Å; P101-T104 PolarHBondContact O-OG1 2.97Å; V102-T104 PolarHBondContact O-N 3Å; V102-T104 VanDerWaalsContact O-N 3.1Å; T104-I106 VanDerWaalsContact C-N 3.32Å; T104-N108 WeakPolarHBondContact O-CA 3.02Å; T104-N108 PolarHBondContact O-N 3.17Å; T104-Q109 PolarHBondContact O-N 2.9Å; T104-L228 PolarHBondContact N-O 2.04Å; T104-L228 VanDerWaalsContact N-O 3.08Å; T104-A229 WeakPolarHBondContact OG1-CA 3.45Å; T104-L230 WeakPolarHBondContact O-CD1 3.25Å; T104-L230 PolarHBondContact OG1-N 3.06Å |
| 105 | S | 59.1 | Low | 69.4 | Low | 50 Ų | 50 | 52.8 Ų | 52.8 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.4 | -25.9 | 173.7 | 75.6 | 0 | 0 | 0 | 0 | 114.1 | N103 L228 | N103-S105 PolarHBondContact O-N 2.68Å; N103-S105 VanDerWaalsContact O-N 3.17Å; S105-L228 WeakPolarHBondContact CB-O 3.2Å; S105-L228 PolarHBondContact N-O 2.83Å; S105-L228 PolarHBondContact OG-O 2.85Å |
| 106 | I | 57.2 | Low | 69.3 | Low | 119 Ų | 119 | 49.9 Ų | 49.9 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -84.9 | -45.6 | 174.9 | -64 | 176.4 | 0 | 0 | 0 | 110.3 | N103 T104 N108 L228 | N103-I106 PolarHBondContact O-N 2.94Å; T104-I106 VanDerWaalsContact C-N 3.32Å; I106-N108 VanDerWaalsContact C-N 3.27Å; I106-N108 PolarHBondContact O-N 2.97Å; I106-L228 HydrophobicContact CD1-CB 4.5Å; I106-L228 HydrophobicContact CD1-CD1 3.8Å; I106-L228 HydrophobicContact CD1-CD2 4.17Å; I106-L228 HydrophobicContact CD1-CG 4.38Å; I106-L228 HydrophobicContact CG1-CD2 4.29Å |
| 107 | T | 63 | Low | 69.7 | Low | 69 Ų | 69 | 53.9 Ų | 53.9 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -78 | -14.6 | -179.6 | 68.4 | 0 | 0 | 0 | 0 | 113.5 | N103 Q109 | N103-T107 PolarHBondContact O-N 3.45Å; N103-T107 VanDerWaalsContact O-N 3.07Å; T107-Q109 VanDerWaalsContact CB-OE1 3.31Å; T107-Q109 PolarHBondContact O-N 2.03Å; T107-Q109 WeakPolarHBondContact OG1-CB 3.21Å; T107-Q109 WeakPolarHBondContact OG1-CG 3.45Å; T107-Q109 PolarHBondContact OG1-N 3.01Å; T107-Q109 PolarHBondContact OG1-OE1 3.39Å |
| 108 | N | 60.2 | Low | 70.2 | Confident | 114 Ų | 114 | 51.2 Ų | 51.2 | 61% | 0.61 | 29% | 0.286 | S | S | * | . | trans | 53.4 | 21.5 | -169.1 | -153.5 | 14.9 | 0 | 0 | 0 | 114.7 | T104 I106 L230 | T104-N108 WeakPolarHBondContact O-CA 3.02Å; T104-N108 PolarHBondContact O-N 3.17Å; I106-N108 VanDerWaalsContact C-N 3.27Å; I106-N108 PolarHBondContact O-N 2.97Å; N108-L230 WeakPolarHBondContact OD1-CD1 3.22Å | ||
| 109 | Q | 67.6 | Low | 71.2 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | trans | -78.4 | 152.4 | -176.3 | -71.5 | 170.7 | -47.6 | 0 | 0 | 113.2 | T104 T107 F114 | T104-Q109 PolarHBondContact O-N 2.9Å; T107-Q109 VanDerWaalsContact CB-OE1 3.31Å; T107-Q109 PolarHBondContact O-N 2.03Å; T107-Q109 WeakPolarHBondContact OG1-CB 3.21Å; T107-Q109 WeakPolarHBondContact OG1-CG 3.45Å; T107-Q109 PolarHBondContact OG1-N 3.01Å; T107-Q109 PolarHBondContact OG1-OE1 3.39Å; Q109-F114 HydrophobicContact CB-CE2 4.19Å; Q109-F114 HydrophobicContact CB-CZ 4.04Å; Q109-F114 HydrophobicContact CG-CZ 4.41Å | ||
| 110 | R | 73.3 | Confident | 72.1 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | trans | -132.9 | 164.4 | 178.5 | -70.9 | -81.3 | 175.2 | -77 | -3.3 | 111.5 | Q112 D113 F114 E233 W258 | R110-Q112 VanDerWaalsContact CB-CD 3.42Å; R110-Q112 HydrophobicContact CB-CG 4.38Å; R110-Q112 PolarHBondContact O-N 3.49Å; R110-D113 WeakPolarHBondContact CB-OD2 2.98Å; R110-D113 PolarHBondContact N-OD2 2.93Å; R110-D113 WeakPolarHBondContact O-CB 3Å; R110-D113 PolarHBondContact O-N 3.36Å; R110-F114 WeakPolarHBondContact O-CD2 3.36Å; R110-F114 WeakPolarHBondContact O-CE2 3.47Å; R110-E233 WeakPolarHBondContact CD-OE1 3.38Å; R110-W258 HydrophobicContact CG-CH2 4.35Å; R110-W258 HydrophobicContact CG-CZ2 4.25Å; R110-W258 VanDerWaalsContact NE-CH2 3.31Å | ||
| 111 | L | 72.6 | Confident | 72.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.2 | 174.8 | -88.3 | 161.7 | 0 | 0 | 0 | 114.6 | L85 L96 Y100 D113 Y118 E233 F237 | L85-L111 HydrophobicContact CD1-CD1 3.58Å; L85-L111 HydrophobicContact CD1-CD2 3.5Å; L85-L111 VanDerWaalsContact CD1-CD2 3.5Å; L85-L111 HydrophobicContact CD1-CG 4.14Å; L96-L111 HydrophobicContact CD1-CD2 3.67Å; L96-L111 HydrophobicContact CD2-CD2 4.15Å; Y100-L111 HydrophobicContact CE1-CD1 4.09Å; Y100-L111 HydrophobicContact CE1-CD2 4.16Å; Y100-L111 HydrophobicContact CE1-CG 3.81Å; Y100-L111 PolarHBondContact OH-N 2.85Å; L111-D113 VanDerWaalsContact C-N 3.31Å; L111-D113 PolarHBondContact O-N 3.1Å; L111-Y118 HydrophobicContact CD2-CD1 4.32Å; L111-Y118 HydrophobicContact CD2-CD2 4.09Å; L111-Y118 HydrophobicContact CD2-CG 3.93Å; L111-E233 HydrophobicContact CD1-CB 4.08Å; L111-E233 PolarHBondContact N-OE2 2.88Å; L111-F237 HydrophobicContact CB-CB 4.12Å; L111-F237 HydrophobicContact CB-CD1 3.42Å; L111-F237 VanDerWaalsContact CB-CD1 3.42Å; L111-F237 HydrophobicContact CB-CD2 3.97Å; L111-F237 HydrophobicContact CB-CE1 3.71Å; L111-F237 HydrophobicContact CB-CE2 4.27Å; L111-F237 HydrophobicContact CB-CG 3.56Å; L111-F237 HydrophobicContact CB-CZ 4.15Å; L111-F237 HydrophobicContact CD1-CD2 4.04Å; L111-F237 HydrophobicContact CD1-CE2 3.93Å; L111-F237 HydrophobicContact CD1-CG 4.5Å; L111-F237 HydrophobicContact CD1-CZ 4.25Å |
| 112 | Q | 71.9 | Confident | 72.8 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.5 | 173.7 | 71.6 | -88.6 | -5.4 | 0 | 0 | 115.2 | R110 F237 R239 | R110-Q112 VanDerWaalsContact CB-CD 3.42Å; R110-Q112 HydrophobicContact CB-CG 4.38Å; R110-Q112 PolarHBondContact O-N 3.49Å; Q112-F237 HydrophobicContact CB-CD1 4.38Å; Q112-R239 PolarHBondContact O-NH1 3.29Å |
| 113 | D | 72.2 | Confident | 72.4 | Confident | 77 Ų | 77 | 40.8 Ų | 40.8 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -18.5 | -177.6 | -58.5 | -37.8 | 0 | 0 | 0 | 112.8 | R110 L111 | R110-D113 WeakPolarHBondContact CB-OD2 2.98Å; R110-D113 PolarHBondContact N-OD2 2.93Å; R110-D113 WeakPolarHBondContact O-CB 3Å; R110-D113 PolarHBondContact O-N 3.36Å; L111-D113 VanDerWaalsContact C-N 3.31Å; L111-D113 PolarHBondContact O-N 3.1Å |
| 114 | F | 78.2 | Confident | 72.3 | Confident | 25 Ų | 25 | 37.7 Ų | 37.7 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -90.5 | 132.8 | 174.7 | -55.5 | -83.8 | 0 | 0 | 0 | 110.3 | N95 L96 P97 Y100 Q109 R110 Y118 | N95-F114 WeakPolarHBondContact O-CD1 3.33Å; L96-F114 HydrophobicContact CD1-CB 4.15Å; L96-F114 HydrophobicContact CD1-CD1 4.44Å; L96-F114 HydrophobicContact CD1-CD2 3.58Å; L96-F114 HydrophobicContact CD1-CE2 4.08Å; L96-F114 HydrophobicContact CD1-CG 3.8Å; P97-F114 VanDerWaalsContact CD-CE1 3.44Å; P97-F114 HydrophobicContact CG-CE1 3.81Å; P97-F114 HydrophobicContact CG-CZ 3.98Å; Y100-F114 HydrophobicContact CD2-CE2 4.09Å; Y100-F114 HydrophobicContact CD2-CZ 4.34Å; Y100-F114 AromaticContact CE2-CE2 3.81Å; Y100-F114 HydrophobicContact CE2-CE2 3.81Å; Y100-F114 HydrophobicContact CE2-CZ 4.4Å; Q109-F114 HydrophobicContact CB-CE2 4.19Å; Q109-F114 HydrophobicContact CB-CZ 4.04Å; Q109-F114 HydrophobicContact CG-CZ 4.41Å; R110-F114 WeakPolarHBondContact O-CD2 3.36Å; R110-F114 WeakPolarHBondContact O-CE2 3.47Å; F114-Y118 HydrophobicContact CB-CE2 4.32Å |
| 115 | D | 74.8 | Confident | 71.8 | Confident | 95 Ų | 95 | 37.6 Ų | 37.6 | 51% | 0.508 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -67.1 | 133.7 | 169.7 | -74.5 | -49.1 | 0 | 0 | 0 | 109.9 | N95 Y118 R239 | N95-D115 WeakPolarHBondContact CB-O 3.46Å; N95-D115 PolarHBondContact ND2-O 3.27Å; D115-Y118 PolarHBondContact O-OH 3.36Å; D115-Y118 VanDerWaalsContact O-OH 3.05Å; D115-R239 WeakPolarHBondContact OD1-CD 3.43Å; D115-R239 WeakPolarHBondContact OD1-CG 3Å; D115-R239 IonicContact OD1-NE 2.88Å; D115-R239 PolarHBondContact OD1-NE 2.88Å |
| 116 | G | 78.8 | Confident | 71.8 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 10% | 0.103 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 152.9 | -163.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | S92 M238 R239 | S92-G116 WeakPolarHBondContact OG-CA 3.46Å; G116-M238 WeakPolarHBondContact O-CA 3.01Å; G116-R239 PolarHBondContact O-N 2.64Å |
| 117 | R | 84.1 | Confident | 72 | Confident | 90 Ų | 90 | 31 Ų | 31 | 34% | 0.34 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 110.4 | -179.7 | -62.2 | -175.9 | -178.7 | 94.8 | 0.8 | 109.5 | L88 D89 S92 M238 | L88-R117 HydrophobicContact CB-CB 4.02Å; L88-R117 HydrophobicContact CD1-CB 4.23Å; L88-R117 HydrophobicContact CG-CB 4.42Å; L88-R117 PolarHBondContact N-O 2.95Å; D89-R117 WeakPolarHBondContact OD2-CD 3.44Å; D89-R117 IonicContact OD2-CZ 2.71Å; D89-R117 IonicContact OD2-NE 3.52Å; D89-R117 IonicContact OD2-NH1 3.73Å; D89-R117 PolarHBondContact OD2-NH1 3.1Å; S92-R117 PolarHBondContact OG-N 2.82Å; S92-R117 PolarHBondContact OG-O 2.82Å; R117-M238 HydrophobicContact CG-CG 4.39Å |
| 118 | Y | 86.4 | Confident | 72.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.6 | -173.8 | -45.5 | -82.7 | 0 | 0 | 0 | 112 | L85 L86 A87 S92 L96 L111 F114 D115 F237 | L85-Y118 HydrophobicContact CD2-CD1 4.15Å; L86-Y118 WeakPolarHBondContact O-CA 3.1Å; A87-Y118 HydrophobicContact CB-CD1 4.21Å; A87-Y118 HydrophobicContact CB-CE1 4.38Å; S92-Y118 VanDerWaalsContact O-CE1 3.25Å; S92-Y118 WeakPolarHBondContact O-CE1 3.34Å; S92-Y118 PolarHBondContact O-OH 2.84Å; L96-Y118 HydrophobicContact CB-CE1 3.87Å; L96-Y118 HydrophobicContact CD1-CE1 3.98Å; L96-Y118 HydrophobicContact CD2-CD1 4.37Å; L96-Y118 HydrophobicContact CD2-CE1 4.17Å; L96-Y118 HydrophobicContact CG-CE1 4.23Å; L111-Y118 HydrophobicContact CD2-CD1 4.32Å; L111-Y118 HydrophobicContact CD2-CD2 4.09Å; L111-Y118 HydrophobicContact CD2-CG 3.93Å; F114-Y118 HydrophobicContact CB-CE2 4.32Å; D115-Y118 PolarHBondContact O-OH 3.36Å; D115-Y118 VanDerWaalsContact O-OH 3.05Å; Y118-F237 HydrophobicContact CD2-CB 4.17Å; Y118-F237 PolarHBondContact N-O 2.77Å; Y118-F237 PolarHBondContact O-N 2.84Å |
| 119 | L | 87.4 | Confident | 72.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.9 | 162.7 | -119.6 | 75.1 | 0 | 0 | 0 | 108.4 | L86 L88 M199 A210 I236 L274 | L86-L119 HydrophobicContact CB-CB 4.16Å; L86-L119 HydrophobicContact CD1-CB 4.31Å; L86-L119 PolarHBondContact N-O 2.97Å; L86-L119 PolarHBondContact O-N 2.97Å; L88-L119 HydrophobicContact CD1-CD1 4.45Å; L119-M199 HydrophobicContact CB-CE 4.4Å; L119-M199 HydrophobicContact CD2-CE 4.33Å; L119-M199 HydrophobicContact CD2-SD 3.76Å; L119-A210 HydrophobicContact CD2-CB 4.29Å; L119-I236 HydrophobicContact CD1-CB 4.33Å; L119-I236 HydrophobicContact CD1-CD1 4.35Å; L119-I236 HydrophobicContact CD1-CG1 3.88Å; L119-I236 HydrophobicContact CD1-CG2 4.02Å; L119-I236 HydrophobicContact CG-CG1 4.42Å; L119-L274 HydrophobicContact CD1-CD2 4.15Å; L119-L274 HydrophobicContact CD2-CD1 4.47Å; L119-L274 HydrophobicContact CD2-CD2 3.98Å |
| 120 | S | 85.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.9 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | F122 M212 E233 S234 G235 | S120-F122 VanDerWaalsContact OG-C 3.31Å; S120-F122 PolarHBondContact OG-N 3.13Å; S120-F122 PolarHBondContact OG-O 2.98Å; S120-M212 VanDerWaalsContact O-CE 3.26Å; S120-M212 WeakPolarHBondContact O-CE 3.45Å; S120-E233 WeakPolarHBondContact CB-O 3.41Å; S120-E233 PolarHBondContact OG-O 2.8Å; S120-S234 WeakPolarHBondContact O-CA 3.19Å; S120-S234 PolarHBondContact O-OG 3.25Å; S120-G235 PolarHBondContact N-O 3.43Å; S120-G235 PolarHBondContact O-N 3.28Å |
| 121 | I | 81.3 | Confident | 72.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -84.6 | -35.4 | 156.8 | 177.6 | 161.3 | 0 | 0 | 0 | 110 | G84 W181 Y197 G198 M199 M212 Y214 S234 | G84-I121 WeakPolarHBondContact O-CG2 3.27Å; G84-I121 PolarHBondContact O-N 2.76Å; G84-I121 VanDerWaalsContact O-N 3.15Å; I121-W181 HydrophobicContact CG2-CE3 4.32Å; I121-W181 HydrophobicContact CG2-CH2 3.99Å; I121-W181 HydrophobicContact CG2-CZ3 3.8Å; I121-Y197 HydrophobicContact CD1-CD2 4.11Å; I121-Y197 HydrophobicContact CG1-CD2 4.2Å; I121-Y197 HydrophobicContact CG2-CD2 3.73Å; I121-Y197 HydrophobicContact CG2-CE2 3.88Å; I121-G198 WeakPolarHBondContact CD1-O 3.24Å; I121-M199 HydrophobicContact CB-CE 3.72Å; I121-M199 HydrophobicContact CG2-CE 3.85Å; I121-M212 HydrophobicContact CB-CG 4.29Å; I121-M212 HydrophobicContact CB-SD 4.4Å; I121-M212 HydrophobicContact CD1-CB 3.81Å; I121-M212 HydrophobicContact CD1-CG 4.31Å; I121-M212 HydrophobicContact CG1-CB 4.03Å; I121-M212 HydrophobicContact CG1-CG 4.28Å; I121-Y214 HydrophobicContact CG1-CE1 4.13Å; I121-Y214 PolarHBondContact O-OH 3.43Å; I121-Y214 VanDerWaalsContact O-OH 3.1Å; I121-S234 WeakPolarHBondContact O-CB 3.11Å; I121-S234 PolarHBondContact O-OG 2.85Å |
| 122 | F | 73.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -157.9 | 149.9 | -178.1 | -135.3 | -140.6 | 0 | 0 | 0 | 109.1 | N83 G84 S120 V125 Y197 Y214 V217 W219 P232 I264 A265 | N83-F122 CarbonylContact O-C 3.46Å; G84-F122 CarbonylContact C-O 3.59Å; G84-F122 WeakPolarHBondContact CA-O 3.05Å; S120-F122 VanDerWaalsContact OG-C 3.31Å; S120-F122 PolarHBondContact OG-N 3.13Å; S120-F122 PolarHBondContact OG-O 2.98Å; F122-V125 HydrophobicContact CD1-CB 4.17Å; F122-V125 HydrophobicContact CD1-CG2 3.87Å; F122-V125 HydrophobicContact CE1-CB 3.68Å; F122-V125 HydrophobicContact CE1-CG1 4.38Å; F122-V125 HydrophobicContact CE1-CG2 3.28Å; F122-V125 HydrophobicContact CZ-CG2 3.79Å; F122-Y197 HydrophobicContact CB-CE2 4.32Å; F122-Y214 AromaticContact CD2-CE1 3.91Å; F122-Y214 HydrophobicContact CD2-CE1 3.91Å; F122-Y214 HydrophobicContact CE2-CE1 4.13Å; F122-V217 HydrophobicContact CE1-CG1 4.29Å; F122-V217 HydrophobicContact CZ-CG1 3.96Å; F122-W219 HydrophobicContact CE2-CH2 4.08Å; F122-W219 AromaticContact CZ-CH2 3.73Å; F122-W219 HydrophobicContact CZ-CH2 3.73Å; F122-W219 HydrophobicContact CZ-CZ2 4.22Å; F122-W219 AromaticContact CZ-CZ3 3.98Å; F122-W219 HydrophobicContact CZ-CZ3 3.98Å; F122-P232 HydrophobicContact CE2-CG 4.43Å; F122-I264 HydrophobicContact CE2-CG2 4.28Å; F122-A265 HydrophobicContact CE2-CB 3.84Å; F122-A265 HydrophobicContact CZ-CB 4.11Å | ||
| 123 | S | 64.3 | Low | 74.1 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | trans | -121 | -29.3 | -178.3 | 69.7 | 0 | 0 | 0 | 0 | 116.7 | N83 P101 P232 E233 | N83-S123 WeakPolarHBondContact CB-O 3.14Å; N83-S123 PolarHBondContact ND2-O 2.04Å; P101-S123 WeakPolarHBondContact CD-O 3.21Å; P101-S123 VanDerWaalsContact CG-O 3.26Å; P101-S123 WeakPolarHBondContact CG-O 3.16Å; S123-P232 WeakPolarHBondContact OG-CA 3.15Å; S123-E233 PolarHBondContact OG-N 2.91Å | ||
| 124 | S | 60.7 | Low | 74.8 | Confident | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -131.8 | 22.9 | -155.3 | 80.5 | 0 | 0 | 0 | 0 | 118.5 | P232 | S124-P232 VanDerWaalsContact OG-CB 3.28Å; S124-P232 WeakPolarHBondContact OG-CB 3.25Å; S124-P232 WeakPolarHBondContact OG-CD 3.09Å |
| 125 | V | 54.5 | Low | 75.4 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -137.6 | 8.7 | -165.9 | -153.6 | 0 | 0 | 0 | 0 | 114.4 | F122 N195 W219 D223 P232 | F122-V125 HydrophobicContact CD1-CB 4.17Å; F122-V125 HydrophobicContact CD1-CG2 3.87Å; F122-V125 HydrophobicContact CE1-CB 3.68Å; F122-V125 HydrophobicContact CE1-CG1 4.38Å; F122-V125 HydrophobicContact CE1-CG2 3.28Å; F122-V125 HydrophobicContact CZ-CG2 3.79Å; V125-N195 PolarHBondContact O-ND2 2.98Å; V125-W219 HydrophobicContact CG1-CE3 4.46Å; V125-W219 HydrophobicContact CG2-CE3 4.36Å; V125-W219 HydrophobicContact CG2-CZ3 3.81Å; V125-D223 WeakPolarHBondContact CG1-OD2 3.37Å; V125-P232 HydrophobicContact CG2-CG 4.46Å |
| 126 | N | 60.2 | Low | 75.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -141.1 | 50.9 | -162.8 | -62.1 | -58.7 | 0 | 0 | 0 | 114 | N83 M184 N195 Y197 | N83-N126 PolarHBondContact O-ND2 3.26Å; N126-M184 HydrophobicContact CB-CB 3.93Å; N126-M184 WeakPolarHBondContact OD1-CB 3.42Å; N126-M184 PolarHBondContact OD1-O 3.46Å; N126-N195 WeakPolarHBondContact OD1-CB 3.04Å; N126-N195 PolarHBondContact OD1-ND2 2.98Å; N126-Y197 WeakPolarHBondContact ND2-CE1 3.41Å; N126-Y197 PolarHBondContact ND2-OH 2.81Å | ||
| 127 | D | 60.7 | Low | 76.2 | Confident | 30 Ų | 30 | 23.1 Ų | 23.1 | 16% | 0.16 | 11% | 0.107 | C | C | . | . | trans | -93.5 | 1.8 | -179.3 | -63.5 | -45.3 | 0 | 0 | 0 | 114.4 | K82 N227 | K82-D127 WeakPolarHBondContact CE-OD1 3.42Å; K82-D127 PolarHBondContact NZ-O 3.03Å; K82-D127 IonicContact NZ-OD1 3.06Å; D127-N227 PolarHBondContact OD2-ND2 2.78Å | ||
| 128 | G | 64.7 | Low | 76 | Confident | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | trans | -70.3 | 153.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S130 T185 | G128-S130 PolarHBondContact O-N 3.37Å; G128-T185 WeakPolarHBondContact CA-O 3.44Å; G128-T185 PolarHBondContact N-O 3.03Å | ||
| 129 | K | 65.3 | Low | 75.6 | Confident | 175 Ų | 175 | 20 Ų | 20 | 76% | 0.761 | 10% | 0.096 | S | C | * | . | S | Bend | trans | -77.3 | 1.5 | -177.6 | -59.9 | -165.4 | 174.7 | -159.5 | 0 | 114.5 | ||
| 130 | S | 71.1 | Confident | 75 | Confident | 39 Ų | 39 | 21.9 Ų | 21.9 | 27% | 0.273 | 11% | 0.106 | S | C | . | . | trans | -129.9 | 136.1 | 175.8 | 40 | 0 | 0 | 0 | 0 | 110.6 | G128 T185 | G128-S130 PolarHBondContact O-N 3.37Å; S130-T185 PolarHBondContact N-OG1 3.25Å; S130-T185 PolarHBondContact O-N 2.79Å; S130-T185 PolarHBondContact O-OG1 2.76Å; S130-T185 WeakPolarHBondContact OG-CG2 3.42Å; S130-T185 PolarHBondContact OG-OG1 3.15Å; S130-T185 VanDerWaalsContact OG-OG1 3.04Å | ||
| 131 | G | 79.1 | Confident | 74.2 | Confident | 9 Ų | 9 | 27.3 Ų | 27.3 | 9% | 0.093 | 14% | 0.135 | C | C | . | . | trans | 150.3 | 162.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y51 E182 N183 | Y51-G131 PolarHBondContact N-O 3.03Å; G131-E182 CarbonylContact C-O 3.59Å; G131-E182 WeakPolarHBondContact CA-O 3.03Å; G131-N183 WeakPolarHBondContact CA-O 3.43Å | ||
| 132 | R | 86.3 | Confident | 73.4 | Confident | 80 Ų | 80 | 30.4 Ų | 30.4 | 30% | 0.302 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 126.4 | -178 | 179.3 | -165.6 | -68.6 | 132.5 | 4.6 | 110.5 | I48 Y49 D50 R134 E182 | I48-R132 HydrophobicContact CG2-CG 3.58Å; Y49-R132 CarbonylContact O-C 3.45Å; Y49-R132 WeakPolarHBondContact O-CA 3.36Å; D50-R132 HydrophobicContact CB-CG 4.24Å; D50-R132 IonicContact OD2-CZ 2.77Å; D50-R132 IonicContact OD2-NE 2.7Å; D50-R132 PolarHBondContact OD2-NE 3.34Å; D50-R132 IonicContact OD2-NH2 3.79Å; D50-R132 PolarHBondContact OD2-NH2 3.26Å; R132-R134 HydrophobicContact CG-CG 3.86Å; R132-E182 HydrophobicContact CB-CB 4.34Å; R132-E182 WeakPolarHBondContact CD-OE2 3.18Å; R132-E182 IonicContact CZ-OE2 3.66Å; R132-E182 PolarHBondContact N-O 2.85Å; R132-E182 IonicContact NH1-OE2 2.71Å; R132-E182 PolarHBondContact NH1-OE2 3.26Å; R132-E182 PolarHBondContact O-N 3.4Å |
| 133 | I | 87.4 | Confident | 72.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.4 | 172.4 | -58.1 | 176.3 | 0 | 0 | 0 | 109.3 | Y49 Y51 F60 I80 V135 I179 L180 W181 M184 | Y49-I133 PolarHBondContact N-O 3.01Å; Y49-I133 PolarHBondContact O-N 2.84Å; Y51-I133 HydrophobicContact CE2-CD1 3.91Å; Y51-I133 HydrophobicContact CE2-CG1 4.06Å; F60-I133 HydrophobicContact CE1-CB 4.24Å; F60-I133 HydrophobicContact CE1-CD1 4.1Å; F60-I133 HydrophobicContact CE1-CG2 4.29Å; F60-I133 HydrophobicContact CZ-CB 4.15Å; F60-I133 HydrophobicContact CZ-CG2 3.79Å; I80-I133 HydrophobicContact CG2-CG2 4.18Å; I133-V135 HydrophobicContact CG2-CG2 4.47Å; I133-I179 HydrophobicContact CG2-CG2 4Å; I133-L180 CarbonylContact C-O 3.47Å; I133-L180 WeakPolarHBondContact CA-O 3.18Å; I133-W181 HydrophobicContact CG1-CG 4.2Å; I133-M184 HydrophobicContact CG1-SD 4.22Å |
| 134 | R | 86.8 | Confident | 71.6 | Confident | 39 Ų | 39 | 37 Ų | 37 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 111.9 | -178.4 | -52 | -179.7 | 81.6 | 160.8 | 9 | 108.7 | I48 R132 I179 L180 E182 | I48-R134 HydrophobicContact CG1-CG 4.26Å; I48-R134 HydrophobicContact CG2-CG 4.5Å; R132-R134 HydrophobicContact CG-CG 3.86Å; R134-I179 WeakPolarHBondContact O-CA 3.07Å; R134-L180 HydrophobicContact CB-CB 4.45Å; R134-L180 PolarHBondContact N-O 2.77Å; R134-L180 PolarHBondContact O-N 3.12Å; R134-E182 WeakPolarHBondContact CD-OE1 3.46Å; R134-E182 WeakPolarHBondContact CD-OE2 3.35Å; R134-E182 IonicContact CZ-OE1 3.49Å; R134-E182 IonicContact NE-OE1 3.17Å; R134-E182 IonicContact NH1-OE1 3.5Å; R134-E182 PolarHBondContact NH1-OE1 2.69Å; R134-E182 IonicContact NH1-OE2 3.07Å; R134-E182 PolarHBondContact NH1-OE2 2.85Å |
| 135 | V | 89.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.7 | 174.4 | -171.3 | 0 | 0 | 0 | 0 | 107.2 | T46 K47 F60 Y62 I80 I133 V177 H178 I179 | T46-V135 CarbonylContact C-O 3.42Å; T46-V135 WeakPolarHBondContact CA-O 2.89Å; K47-V135 PolarHBondContact N-O 2.93Å; K47-V135 PolarHBondContact O-N 2.9Å; F60-V135 HydrophobicContact CE2-CG2 4.15Å; F60-V135 HydrophobicContact CZ-CG2 4.34Å; Y62-V135 HydrophobicContact CD1-CG1 4.25Å; Y62-V135 HydrophobicContact CD2-CB 3.94Å; Y62-V135 HydrophobicContact CD2-CG1 3.88Å; Y62-V135 HydrophobicContact CD2-CG2 3.79Å; Y62-V135 HydrophobicContact CE1-CG1 3.96Å; Y62-V135 HydrophobicContact CE2-CB 3.48Å; Y62-V135 VanDerWaalsContact CE2-CB 3.48Å; Y62-V135 HydrophobicContact CE2-CG1 3.49Å; Y62-V135 VanDerWaalsContact CE2-CG1 3.49Å; Y62-V135 HydrophobicContact CE2-CG2 3.84Å; Y62-V135 HydrophobicContact CG-CG1 4.22Å; I80-V135 HydrophobicContact CD1-CG2 3.52Å; I133-V135 HydrophobicContact CG2-CG2 4.47Å; V135-V177 HydrophobicContact CG1-CG1 4.14Å; V135-H178 CarbonylContact C-O 3.56Å; V135-H178 WeakPolarHBondContact CA-O 3.35Å; V135-I179 HydrophobicContact CG1-CG1 4.46Å |
| 136 | T | 86.5 | Confident | 72.1 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 113.6 | 177.2 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | F37 L44 T46 I138 H178 | F37-T136 HydrophobicContact CD2-CG2 4.37Å; F37-T136 HydrophobicContact CG-CG2 4.44Å; L44-T136 HydrophobicContact CB-CG2 4.36Å; T46-T136 WeakPolarHBondContact CG2-OG1 3.24Å; T46-T136 WeakPolarHBondContact OG1-CG2 3.46Å; T46-T136 PolarHBondContact OG1-OG1 2.75Å; T136-I138 HydrophobicContact CG2-CD1 4.08Å; T136-I138 HydrophobicContact CG2-CG1 3.95Å; T136-H178 PolarHBondContact N-O 3.38Å; T136-H178 PolarHBondContact O-N 2.82Å |
| 137 | E | 85.6 | Confident | 72.5 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 138 | 174.1 | -59.3 | 175.4 | -73.2 | 0 | 0 | 110.1 | H45 Y62 L64 Q65 Y175 | H45-E137 HydrophobicContact CB-CB 4.29Å; H45-E137 IonicContact CE1-OE1 3.61Å; H45-E137 IonicContact CG-OE1 2.65Å; H45-E137 PolarHBondContact N-O 3.05Å; H45-E137 IonicContact ND1-OE1 3.29Å; H45-E137 PolarHBondContact ND1-OE1 3.04Å; H45-E137 PolarHBondContact O-N 2.83Å; Y62-E137 HydrophobicContact CE1-CG 4.09Å; Y62-E137 PolarHBondContact OH-OE1 3.34Å; L64-E137 WeakPolarHBondContact CA-OE2 3.38Å; Q65-E137 WeakPolarHBondContact CB-OE2 3.43Å; Q65-E137 PolarHBondContact N-OE2 2.91Å; E137-Y175 HydrophobicContact CB-CE2 4.14Å; E137-Y175 PolarHBondContact OE2-OH 3.18Å |
| 138 | I | 79.8 | Confident | 73 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 107.5 | -177.3 | -50.6 | -174.4 | 0 | 0 | 0 | 109.6 | F37 L44 T136 L140 L146 Y175 I176 | F37-I138 HydrophobicContact CD1-CD1 3.96Å; F37-I138 HydrophobicContact CD2-CD1 4.27Å; F37-I138 HydrophobicContact CE1-CD1 3.21Å; F37-I138 HydrophobicContact CE2-CD1 3.54Å; F37-I138 HydrophobicContact CG-CD1 4.47Å; F37-I138 HydrophobicContact CZ-CD1 2.98Å; F37-I138 HydrophobicContact CZ-CG1 4.43Å; L44-I138 HydrophobicContact CD2-CD1 3.76Å; L44-I138 HydrophobicContact CD2-CG1 3.84Å; L44-I138 HydrophobicContact CD2-CG2 4.41Å; T136-I138 HydrophobicContact CG2-CD1 4.08Å; T136-I138 HydrophobicContact CG2-CG1 3.95Å; I138-L140 HydrophobicContact CG2-CD2 3.78Å; I138-L140 HydrophobicContact CG2-CG 4.37Å; I138-L146 HydrophobicContact CD1-CD2 4.38Å; I138-L146 HydrophobicContact CG2-CD1 4.41Å; I138-L146 HydrophobicContact CG2-CD2 4.47Å; I138-Y175 WeakPolarHBondContact O-CA 3.19Å; I138-I176 HydrophobicContact CB-CB 4.4Å; I138-I176 PolarHBondContact N-O 3.01Å; I138-I176 PolarHBondContact O-N 2.82Å |
| 139 | D | 77.1 | Confident | 73.3 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.2 | 161.1 | -179.7 | 8.6 | 0 | 0 | 0 | 109.5 | Y66 L141 S142 | Y66-D139 HydrophobicContact CE2-CB 4.12Å; D139-L141 WeakPolarHBondContact OD1-CA 3.26Å; D139-L141 WeakPolarHBondContact OD1-CB 3.02Å; D139-L141 PolarHBondContact OD1-N 2.94Å; D139-S142 VanDerWaalsContact CG-OG 3.27Å; D139-S142 PolarHBondContact OD1-N 3.21Å; D139-S142 VanDerWaalsContact OD2-CB 3.24Å; D139-S142 WeakPolarHBondContact OD2-CB 3.5Å; D139-S142 PolarHBondContact OD2-N 2.62Å; D139-S142 PolarHBondContact OD2-OG 2.96Å |
| 140 | L | 75.3 | Confident | 73.7 | Confident | 40 Ų | 40 | 42.9 Ų | 42.9 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -96.7 | -10.2 | 175.1 | -61.1 | 173.6 | 0 | 0 | 0 | 112.3 | I138 L146 I154 A173 Q174 I176 | I138-L140 HydrophobicContact CG2-CD2 3.78Å; I138-L140 HydrophobicContact CG2-CG 4.37Å; L140-L146 HydrophobicContact CD2-CD1 3.8Å; L140-I154 HydrophobicContact CD2-CD1 4.19Å; L140-A173 HydrophobicContact CD1-CB 3.55Å; L140-A173 WeakPolarHBondContact CD1-O 3.47Å; L140-Q174 WeakPolarHBondContact CB-O 3.37Å; L140-Q174 PolarHBondContact N-O 2.92Å; L140-I176 HydrophobicContact CD1-CD1 3.84Å; L140-I176 HydrophobicContact CD1-CG1 3.93Å |
| 141 | L | 69.4 | Low | 73.9 | Confident | 115 Ų | 115 | 48.6 Ų | 48.6 | 60% | 0.602 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -76.4 | -34.3 | 171.6 | -53.5 | 173.6 | 0 | 0 | 0 | 111.1 | D139 P143 Q174 | D139-L141 WeakPolarHBondContact OD1-CA 3.26Å; D139-L141 WeakPolarHBondContact OD1-CB 3.02Å; D139-L141 PolarHBondContact OD1-N 2.94Å; L141-P143 VanDerWaalsContact C-CD 3.44Å; L141-P143 WeakPolarHBondContact O-CD 3.46Å; L141-Q174 HydrophobicContact CD1-CB 4.34Å; L141-Q174 HydrophobicContact CD2-CB 4.11Å; L141-Q174 HydrophobicContact CD2-CG 3.96Å; L141-Q174 HydrophobicContact CG-CB 4.13Å |
| 142 | S | 63.2 | Low | 73.7 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -101.1 | 85.9 | 165.9 | 68.3 | 0 | 0 | 0 | 0 | 111.3 | D139 S144 | D139-S142 VanDerWaalsContact CG-OG 3.27Å; D139-S142 PolarHBondContact OD1-N 3.21Å; D139-S142 VanDerWaalsContact OD2-CB 3.24Å; D139-S142 WeakPolarHBondContact OD2-CB 3.5Å; D139-S142 PolarHBondContact OD2-N 2.62Å; D139-S142 PolarHBondContact OD2-OG 2.96Å; S142-S144 PolarHBondContact O-N 3.22Å |
| 143 | P | 48.7 | Very low | 73.3 | Confident | 106 Ų | 106 | 45.8 Ų | 45.8 | 69% | 0.688 | 24% | 0.24 | S | C | * | . | trans | -70.9 | 79.1 | -179.6 | 30.3 | -37.3 | 0 | 0 | 0 | 111.7 | L141 | L141-P143 VanDerWaalsContact C-CD 3.44Å; L141-P143 WeakPolarHBondContact O-CD 3.46Å | ||
| 144 | S | 52.9 | Low | 72.9 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | trans | -46.5 | 152.9 | 147.1 | 61 | 0 | 0 | 0 | 0 | 109.5 | S142 L146 | S142-S144 PolarHBondContact O-N 3.22Å; S144-L146 PolarHBondContact O-N 3.38Å | ||
| 145 | K | 58.4 | Low | 72.6 | Confident | 181 Ų | 181 | 48.2 Ų | 48.2 | 79% | 0.787 | 26% | 0.256 | S | S | * | . | trans | -74.5 | 78.3 | -172.6 | -69.1 | 178.4 | -177.5 | 170.7 | 0 | 111.1 | N41 | N41-K145 PolarHBondContact ND2-O 2.89Š| ||
| 146 | L | 66.8 | Low | 72.3 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 18% | 0.183 | 26% | 0.258 | C | S | . | . | trans | -50.4 | 126.2 | 161 | -78.3 | 162.8 | 0 | 0 | 0 | 108.4 | F37 L44 I138 L140 S144 E150 R151 I154 | F37-L146 HydrophobicContact CE1-CD2 3.9Å; L44-L146 HydrophobicContact CD2-CD2 4.14Å; I138-L146 HydrophobicContact CD1-CD2 4.38Å; I138-L146 HydrophobicContact CG2-CD1 4.41Å; I138-L146 HydrophobicContact CG2-CD2 4.47Å; L140-L146 HydrophobicContact CD2-CD1 3.8Å; S144-L146 PolarHBondContact O-N 3.38Å; L146-E150 HydrophobicContact CD2-CB 4.2Å; L146-R151 HydrophobicContact CB-CB 4.48Å; L146-I154 HydrophobicContact CD1-CD1 3.89Å; L146-I154 HydrophobicContact CD2-CD1 4.37Å | ||
| 147 | P | 69.2 | Low | 72.2 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 31% | 0.312 | 26% | 0.257 | S | S | . | . | trans | -68 | 167.2 | 177.5 | -6.7 | 21.4 | 0 | 0 | 0 | 110.5 | V149 E150 R151 | P147-V149 PolarHBondContact O-N 2.9Å; P147-E150 WeakPolarHBondContact CB-OE2 3.47Å; P147-E150 WeakPolarHBondContact CD-OE2 3.4Å; P147-E150 VanDerWaalsContact CG-OE2 3.29Å; P147-E150 WeakPolarHBondContact CG-OE2 3.22Å; P147-E150 PolarHBondContact O-N 2.93Å; P147-R151 PolarHBondContact O-N 2.9Å; P147-R151 VanDerWaalsContact O-N 3.11Å | ||
| 148 | C | 70.4 | Confident | 72 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.5 | -35.1 | -169.3 | -176.2 | 0 | 0 | 0 | 0 | 113 | M152 C303 | C148-M152 VanDerWaalsContact O-CG 3.25Å; C148-M152 WeakPolarHBondContact O-CG 3.18Å; C148-M152 PolarHBondContact O-N 2.88Å; C148-C303 HydrophobicContact CB-CB 3.75Å; C148-C303 WeakPolarHBondContact CB-SG 3.5Å; C148-C303 WeakPolarHBondContact SG-CA 3.46Å; C148-C303 WeakPolarHBondContact SG-CB 3.49Å; C148-C303 CovalentContact SG-SG 2.04Å; C148-C303 PolarHBondContact SG-SG 3.42Å |
| 149 | V | 71.8 | Confident | 72.1 | Confident | 36 Ų | 36 | 53 Ų | 53 | 22% | 0.218 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.3 | -54.2 | -177.8 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | P147 R151 M152 Q153 L299 | P147-V149 PolarHBondContact O-N 2.9Å; V149-R151 VanDerWaalsContact C-N 3.35Å; V149-R151 PolarHBondContact O-N 3.37Å; V149-M152 PolarHBondContact O-N 2.88Å; V149-Q153 HydrophobicContact CG1-CG 4.47Å; V149-Q153 VanDerWaalsContact O-CG 3.31Å; V149-Q153 WeakPolarHBondContact O-CG 3.28Å; V149-Q153 PolarHBondContact O-N 2.6Å; V149-L299 HydrophobicContact CB-CD2 4.25Å; V149-L299 HydrophobicContact CG1-CD2 4.14Å; V149-L299 HydrophobicContact CG2-CD2 3.85Å |
| 150 | E | 72.2 | Confident | 72.1 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | -177.7 | -67.4 | 80.5 | 171.6 | 0 | 0 | 111.4 | F37 I38 L146 P147 M152 Q153 I154 | F37-E150 HydrophobicContact CD1-CB 4.16Å; F37-E150 HydrophobicContact CD1-CG 3.61Å; F37-E150 HydrophobicContact CE1-CB 3.85Å; F37-E150 HydrophobicContact CE1-CG 3.85Å; I38-E150 VanDerWaalsContact CB-OE1 3.3Å; I38-E150 WeakPolarHBondContact CB-OE1 3.33Å; I38-E150 WeakPolarHBondContact CG1-OE1 3.41Å; I38-E150 PolarHBondContact N-OE1 3.1Å; L146-E150 HydrophobicContact CD2-CB 4.2Å; P147-E150 WeakPolarHBondContact CB-OE2 3.47Å; P147-E150 WeakPolarHBondContact CD-OE2 3.4Å; P147-E150 VanDerWaalsContact CG-OE2 3.29Å; P147-E150 WeakPolarHBondContact CG-OE2 3.22Å; P147-E150 PolarHBondContact O-N 2.93Å; E150-M152 PolarHBondContact O-N 3.42Å; E150-Q153 PolarHBondContact O-N 2.9Å; E150-I154 WeakPolarHBondContact O-CG1 3.39Å; E150-I154 PolarHBondContact O-N 2.82Å |
| 151 | R | 75.9 | Confident | 72.4 | Confident | 159 Ų | 159 | 50.1 Ų | 50.1 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.2 | -48.4 | 174.8 | 179.6 | 178.8 | 177.1 | 136.4 | 8.4 | 111.6 | L146 P147 V149 Q153 I154 D155 | L146-R151 HydrophobicContact CB-CB 4.48Å; P147-R151 PolarHBondContact O-N 2.9Å; P147-R151 VanDerWaalsContact O-N 3.11Å; V149-R151 VanDerWaalsContact C-N 3.35Å; V149-R151 PolarHBondContact O-N 3.37Å; R151-Q153 VanDerWaalsContact C-N 3.3Å; R151-Q153 PolarHBondContact O-N 3.5Å; R151-I154 WeakPolarHBondContact O-CB 3.21Å; R151-I154 PolarHBondContact O-N 2.85Å; R151-I154 VanDerWaalsContact O-N 3.15Å; R151-D155 PolarHBondContact O-N 3.39Å |
| 152 | M | 75.9 | Confident | 72.8 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.1 | -28.3 | -178.4 | -69.4 | 179 | 58.6 | 0 | 0 | 112.6 | C148 V149 E150 R156 F295 S298 I302 | C148-M152 VanDerWaalsContact O-CG 3.25Å; C148-M152 WeakPolarHBondContact O-CG 3.18Å; C148-M152 PolarHBondContact O-N 2.88Å; V149-M152 PolarHBondContact O-N 2.88Å; E150-M152 PolarHBondContact O-N 3.42Å; M152-R156 PolarHBondContact O-N 3.47Å; M152-F295 HydrophobicContact CB-CD2 4.24Å; M152-F295 HydrophobicContact CB-CE2 3.83Å; M152-S298 VanDerWaalsContact CE-C 3.45Å; M152-S298 VanDerWaalsContact CE-CB 3.48Å; M152-S298 WeakPolarHBondContact CE-OG 3.31Å; M152-I302 HydrophobicContact CE-CD1 4.01Å; M152-I302 HydrophobicContact SD-CB 4.12Å; M152-I302 HydrophobicContact SD-CD1 4.19Å; M152-I302 HydrophobicContact SD-CG2 4.2Å |
| 153 | Q | 76.5 | Confident | 73.3 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | 169.8 | -69.2 | -81.5 | 38.2 | 0 | 0 | 111.5 | Y34 F35 V149 E150 R151 R156 L157 F295 | Y34-Q153 PolarHBondContact O-NE2 3.19Å; F35-Q153 HydrophobicContact CD2-CB 3.46Å; F35-Q153 VanDerWaalsContact CD2-CB 3.46Å; F35-Q153 HydrophobicContact CD2-CG 4.4Å; F35-Q153 HydrophobicContact CE1-CB 4.35Å; F35-Q153 HydrophobicContact CE2-CB 3.32Å; F35-Q153 HydrophobicContact CG-CB 4.07Å; F35-Q153 HydrophobicContact CZ-CB 3.76Å; V149-Q153 HydrophobicContact CG1-CG 4.47Å; V149-Q153 VanDerWaalsContact O-CG 3.31Å; V149-Q153 WeakPolarHBondContact O-CG 3.28Å; V149-Q153 PolarHBondContact O-N 2.6Å; E150-Q153 PolarHBondContact O-N 2.9Å; R151-Q153 VanDerWaalsContact C-N 3.3Å; R151-Q153 PolarHBondContact O-N 3.5Å; Q153-R156 WeakPolarHBondContact O-CB 3.24Å; Q153-R156 PolarHBondContact O-N 3.21Å; Q153-L157 PolarHBondContact O-N 3.41Å; Q153-F295 HydrophobicContact CG-CE2 4.03Å; Q153-F295 HydrophobicContact CG-CZ 3.64Å |
| 154 | I | 79.8 | Confident | 74.4 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -46.8 | 174 | -66.4 | 164.8 | 0 | 0 | 0 | 110.2 | F35 F37 L140 L146 E150 R151 R156 L157 I158 I176 | F35-I154 HydrophobicContact CE2-CG1 3.71Å; F35-I154 HydrophobicContact CZ-CD1 4.48Å; F35-I154 HydrophobicContact CZ-CG1 3.75Å; F37-I154 HydrophobicContact CZ-CD1 4.48Å; L140-I154 HydrophobicContact CD2-CD1 4.19Å; L146-I154 HydrophobicContact CD1-CD1 3.89Å; L146-I154 HydrophobicContact CD2-CD1 4.37Å; E150-I154 WeakPolarHBondContact O-CG1 3.39Å; E150-I154 PolarHBondContact O-N 2.82Å; R151-I154 WeakPolarHBondContact O-CB 3.21Å; R151-I154 PolarHBondContact O-N 2.85Å; R151-I154 VanDerWaalsContact O-N 3.15Å; I154-R156 PolarHBondContact O-N 3.29Å; I154-L157 PolarHBondContact O-N 3.18Å; I154-I158 HydrophobicContact CG2-CD1 3.68Å; I154-I158 HydrophobicContact CG2-CG1 4.37Å; I154-I158 WeakPolarHBondContact O-CG1 3.24Å; I154-I158 PolarHBondContact O-N 3.06Å; I154-I176 HydrophobicContact CD1-CD1 4.16Å; I154-I176 HydrophobicContact CG1-CD1 3.94Å; I154-I176 HydrophobicContact CG2-CD1 3.96Å |
| 155 | D | 80.6 | Confident | 75.2 | Confident | 83 Ų | 83 | 40.7 Ų | 40.7 | 44% | 0.444 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.8 | -36.6 | 175.3 | -66.6 | -36.3 | 0 | 0 | 0 | 111.4 | R151 K159 | R151-D155 PolarHBondContact O-N 3.39Å; D155-K159 VanDerWaalsContact O-CB 3.28Å; D155-K159 WeakPolarHBondContact O-CB 3.38Å; D155-K159 PolarHBondContact O-N 2.81Å |
| 156 | R | 83.4 | Confident | 75.3 | Confident | 13 Ų | 13 | 37.3 Ų | 37.3 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -49.8 | 174.4 | -169.6 | -160.3 | 81.1 | -171.2 | 12.6 | 112.7 | P33 M152 Q153 I154 K159 F160 E269 V291 F295 | P33-R156 PolarHBondContact O-NH1 2.78Å; M152-R156 PolarHBondContact O-N 3.47Å; Q153-R156 WeakPolarHBondContact O-CB 3.24Å; Q153-R156 PolarHBondContact O-N 3.21Å; I154-R156 PolarHBondContact O-N 3.29Å; R156-K159 PolarHBondContact O-N 2.92Å; R156-F160 HydrophobicContact CG-CD2 4.37Å; R156-F160 HydrophobicContact CG-CE2 3.85Å; R156-F160 HydrophobicContact CG-CZ 4.06Å; R156-F160 PolarHBondContact O-N 3.2Å; R156-E269 IonicContact CZ-OE2 3.72Å; R156-E269 IonicContact NH2-OE1 3.55Å; R156-E269 PolarHBondContact NH2-OE1 2.66Å; R156-E269 IonicContact NH2-OE2 2.79Å; R156-E269 PolarHBondContact NH2-OE2 2.71Å; R156-V291 HydrophobicContact CG-CG1 4.17Å; R156-F295 HydrophobicContact CB-CD2 4.15Å; R156-F295 HydrophobicContact CB-CG 4.33Å; R156-F295 HydrophobicContact CG-CB 4.23Å; R156-F295 HydrophobicContact CG-CG 4.18Å |
| 157 | L | 82.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | -179.4 | -67.2 | -173.3 | 0 | 0 | 0 | 111.7 | F35 Q153 I154 K159 F160 I161 I200 I202 F211 | F35-L157 HydrophobicContact CD2-CD1 3.46Å; F35-L157 VanDerWaalsContact CD2-CD1 3.46Å; F35-L157 HydrophobicContact CD2-CG 4Å; F35-L157 HydrophobicContact CE2-CD1 3.98Å; F35-L157 HydrophobicContact CG-CD1 4.39Å; Q153-L157 PolarHBondContact O-N 3.41Å; I154-L157 PolarHBondContact O-N 3.18Å; L157-K159 VanDerWaalsContact C-N 3.33Å; L157-K159 PolarHBondContact O-N 2.79Å; L157-F160 HydrophobicContact CD2-CD2 4.4Å; L157-F160 PolarHBondContact O-N 2.96Å; L157-F160 VanDerWaalsContact O-N 3.17Å; L157-I161 PolarHBondContact O-N 2.03Å; L157-I161 VanDerWaalsContact O-N 3.07Å; L157-I200 HydrophobicContact CD1-CD1 3.76Å; L157-I200 HydrophobicContact CD1-CG2 4.25Å; L157-I202 HydrophobicContact CB-CD1 3.8Å; L157-I202 HydrophobicContact CD1-CD1 3.95Å; L157-F211 HydrophobicContact CB-CD2 4.43Å; L157-F211 HydrophobicContact CB-CE2 3.77Å; L157-F211 HydrophobicContact CB-CZ 3.94Å; L157-F211 HydrophobicContact CD1-CD2 4.13Å; L157-F211 HydrophobicContact CD1-CE2 4.3Å; L157-F211 HydrophobicContact CD2-CD1 3.91Å; L157-F211 HydrophobicContact CD2-CD2 4.14Å; L157-F211 HydrophobicContact CD2-CE1 3.77Å; L157-F211 HydrophobicContact CD2-CE2 4Å; L157-F211 HydrophobicContact CD2-CG 4.09Å; L157-F211 HydrophobicContact CD2-CZ 3.81Å; L157-F211 HydrophobicContact CG-CD2 4.47Å; L157-F211 HydrophobicContact CG-CE2 4.23Å; L157-F211 HydrophobicContact CG-CZ 4.39Å; L157-F211 WeakPolarHBondContact O-CZ 3.46Å |
| 158 | I | 82.6 | Confident | 74.7 | Confident | 26 Ų | 26 | 37.3 Ų | 37.3 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 174.9 | -68.2 | 171.4 | 0 | 0 | 0 | 110.5 | I154 F160 I161 H162 A173 | I154-I158 HydrophobicContact CG2-CD1 3.68Å; I154-I158 HydrophobicContact CG2-CG1 4.37Å; I154-I158 WeakPolarHBondContact O-CG1 3.24Å; I154-I158 PolarHBondContact O-N 3.06Å; I158-F160 VanDerWaalsContact C-N 3.31Å; I158-F160 PolarHBondContact O-N 3.45Å; I158-I161 PolarHBondContact O-N 3.41Å; I158-I161 VanDerWaalsContact O-N 3.15Å; I158-H162 VanDerWaalsContact CG2-NE2 3.28Å; I158-H162 WeakPolarHBondContact CG2-NE2 3.46Å; I158-H162 PolarHBondContact O-CD2 2.83Å; I158-H162 PolarHBondContact O-N 3Å; I158-A173 HydrophobicContact CD1-CB 3.82Å; I158-A173 HydrophobicContact CG1-CB 4.32Å |
| 159 | K | 80.7 | Confident | 74.2 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.4 | -32.1 | 176 | -162.4 | 171.8 | -172.1 | -178.1 | 0 | 113.1 | D155 R156 L157 L163 V291 E294 | D155-K159 VanDerWaalsContact O-CB 3.28Å; D155-K159 WeakPolarHBondContact O-CB 3.38Å; D155-K159 PolarHBondContact O-N 2.81Å; R156-K159 PolarHBondContact O-N 2.92Å; L157-K159 VanDerWaalsContact C-N 3.33Å; L157-K159 PolarHBondContact O-N 2.79Å; K159-L163 WeakPolarHBondContact O-CB 3.47Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.45Å; K159-L163 PolarHBondContact O-N 3.1Å; K159-L163 VanDerWaalsContact O-N 3.17Å; K159-V291 HydrophobicContact CB-CG1 4.4Å; K159-V291 HydrophobicContact CD-CB 4.49Å; K159-V291 HydrophobicContact CD-CG1 4Å; K159-V291 HydrophobicContact CD-CG2 3.69Å; K159-V291 HydrophobicContact CG-CG1 4.28Å; K159-V291 HydrophobicContact CG-CG2 3.96Å; K159-E294 IonicContact NZ-OE1 3.98Å; K159-E294 PolarHBondContact NZ-OE1 2.77Å; K159-E294 IonicContact NZ-OE2 3.43Å; K159-E294 PolarHBondContact NZ-OE2 3.38Å |
| 160 | F | 78.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 171 | -70.1 | -33.3 | 0 | 0 | 0 | 112.8 | I15 I19 R156 L157 I158 L163 S164 F211 L288 V291 | I15-F160 HydrophobicContact CD1-CB 4.25Å; I15-F160 HydrophobicContact CD1-CD2 4.11Å; I15-F160 HydrophobicContact CD1-CG 4.24Å; I15-F160 HydrophobicContact CG2-CD1 4.43Å; I15-F160 HydrophobicContact CG2-CD2 4.05Å; I15-F160 HydrophobicContact CG2-CE1 4.05Å; I15-F160 HydrophobicContact CG2-CE2 3.63Å; I15-F160 HydrophobicContact CG2-CG 4.44Å; I15-F160 HydrophobicContact CG2-CZ 3.64Å; I19-F160 HydrophobicContact CD1-CZ 4.03Å; R156-F160 HydrophobicContact CG-CD2 4.37Å; R156-F160 HydrophobicContact CG-CE2 3.85Å; R156-F160 HydrophobicContact CG-CZ 4.06Å; R156-F160 PolarHBondContact O-N 3.2Å; L157-F160 HydrophobicContact CD2-CD2 4.4Å; L157-F160 PolarHBondContact O-N 2.96Å; L157-F160 VanDerWaalsContact O-N 3.17Å; I158-F160 VanDerWaalsContact C-N 3.31Å; I158-F160 PolarHBondContact O-N 3.45Å; F160-L163 PolarHBondContact O-N 2.86Å; F160-S164 VanDerWaalsContact O-CB 3.24Å; F160-S164 WeakPolarHBondContact O-CB 3.47Å; F160-S164 PolarHBondContact O-N 2.78Å; F160-S164 VanDerWaalsContact O-N 3.13Å; F160-S164 PolarHBondContact O-OG 2.93Å; F160-F211 HydrophobicContact CB-CE1 4.28Å; F160-F211 HydrophobicContact CB-CZ 4.16Å; F160-F211 HydrophobicContact CD2-CE1 4.33Å; F160-L288 HydrophobicContact CD1-CD2 3.56Å; F160-L288 HydrophobicContact CE1-CD2 3.89Å; F160-L288 HydrophobicContact CG-CD2 4.47Å; F160-V291 HydrophobicContact CD1-CB 4.47Å; F160-V291 HydrophobicContact CD1-CG1 3.94Å; F160-V291 HydrophobicContact CE1-CB 3.91Å; F160-V291 HydrophobicContact CE1-CG1 3.51Å; F160-V291 HydrophobicContact CZ-CG1 4.11Å |
| 161 | I | 80.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -48.8 | 175.5 | -59.2 | 165.5 | 0 | 0 | 0 | 110.5 | L157 I158 L163 S164 Y165 E168 L171 I202 Y209 F211 L271 | L157-I161 PolarHBondContact O-N 2.03Å; L157-I161 VanDerWaalsContact O-N 3.07Å; I158-I161 PolarHBondContact O-N 3.41Å; I158-I161 VanDerWaalsContact O-N 3.15Å; I161-L163 VanDerWaalsContact C-N 3.25Å; I161-L163 PolarHBondContact O-N 3.27Å; I161-S164 PolarHBondContact O-N 3.03Å; I161-Y165 HydrophobicContact CG2-CD2 4.28Å; I161-Y165 PolarHBondContact O-N 2.85Å; I161-E168 HydrophobicContact CG2-CB 4.23Å; I161-E168 HydrophobicContact CG2-CG 4.23Å; I161-L171 HydrophobicContact CB-CD2 3.99Å; I161-L171 HydrophobicContact CD1-CD2 3.52Å; I161-L171 HydrophobicContact CG1-CD2 4.36Å; I161-L171 HydrophobicContact CG2-CD2 3.84Å; I161-I202 HydrophobicContact CD1-CD1 4.39Å; I161-Y209 HydrophobicContact CD1-CD2 3.91Å; I161-Y209 HydrophobicContact CD1-CG 3.82Å; I161-Y209 HydrophobicContact CG1-CD1 4.48Å; I161-Y209 HydrophobicContact CG1-CG 4.24Å; I161-Y209 HydrophobicContact CG2-CD1 3.95Å; I161-Y209 HydrophobicContact CG2-CD2 4.19Å; I161-Y209 HydrophobicContact CG2-CE1 3.85Å; I161-Y209 HydrophobicContact CG2-CE2 4.11Å; I161-Y209 HydrophobicContact CG2-CG 4.15Å; I161-F211 HydrophobicContact CD1-CE2 3.94Å; I161-F211 HydrophobicContact CD1-CZ 4.42Å; I161-F211 HydrophobicContact CG1-CE2 3.95Å; I161-F211 HydrophobicContact CG1-CZ 3.93Å; I161-L271 HydrophobicContact CG1-CD1 4.11Å; I161-L271 HydrophobicContact CG1-CD2 4.13Å |
| 162 | H | 78.9 | Confident | 73.1 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.3 | -33.9 | 177 | -65.6 | -44.9 | 0 | 0 | 0 | 113.8 | I158 S164 E168 | I158-H162 VanDerWaalsContact CG2-NE2 3.28Å; I158-H162 WeakPolarHBondContact CG2-NE2 3.46Å; I158-H162 PolarHBondContact O-CD2 2.83Å; I158-H162 PolarHBondContact O-N 3Å; H162-S164 VanDerWaalsContact C-N 3.34Å; H162-E168 PolarHBondContact CE1-O 3.25Å; H162-E168 VanDerWaalsContact CE1-O 3.26Å; H162-E168 PolarHBondContact ND1-O 2.73Å |
| 163 | L | 73.5 | Confident | 73 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -79.6 | -17.1 | 176.7 | -75.9 | 173 | 0 | 0 | 0 | 113.3 | K159 F160 I161 A281 I283 N287 V291 | K159-L163 WeakPolarHBondContact O-CB 3.47Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.45Å; K159-L163 PolarHBondContact O-N 3.1Å; K159-L163 VanDerWaalsContact O-N 3.17Å; F160-L163 PolarHBondContact O-N 2.86Å; I161-L163 VanDerWaalsContact C-N 3.25Å; I161-L163 PolarHBondContact O-N 3.27Å; L163-A281 WeakPolarHBondContact O-CB 3.3Å; L163-I283 WeakPolarHBondContact O-CG1 3.22Å; L163-N287 HydrophobicContact CD1-CB 4.31Å; L163-N287 HydrophobicContact CD2-CB 4.42Å; L163-V291 HydrophobicContact CD1-CG2 3.64Å |
| 164 | S | 71.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -100.3 | -34.4 | -171.2 | -64.2 | 0 | 0 | 0 | 0 | 114.2 | F160 I161 H162 A281 | F160-S164 VanDerWaalsContact O-CB 3.24Å; F160-S164 WeakPolarHBondContact O-CB 3.47Å; F160-S164 PolarHBondContact O-N 2.78Å; F160-S164 VanDerWaalsContact O-N 3.13Å; F160-S164 PolarHBondContact O-OG 2.93Å; I161-S164 PolarHBondContact O-N 3.03Å; H162-S164 VanDerWaalsContact C-N 3.34Å; S164-A281 WeakPolarHBondContact O-CB 3.39Å; S164-A281 PolarHBondContact O-N 2.9Å |
| 165 | Y | 70.9 | Confident | 73.5 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -127.6 | 119.7 | -175.6 | -60.6 | -79.4 | 0 | 0 | 0 | 110.2 | H11 I13 I161 E167 E168 Y209 L271 P273 I280 | H11-Y165 PolarHBondContact O-OH 2.6Å; I13-Y165 HydrophobicContact CD1-CE2 4.18Å; I161-Y165 HydrophobicContact CG2-CD2 4.28Å; I161-Y165 PolarHBondContact O-N 2.85Å; Y165-E167 PolarHBondContact O-N 3.36Å; Y165-E168 PolarHBondContact O-N 3.4Å; Y165-Y209 HydrophobicContact CD2-CD1 4.45Å; Y165-Y209 HydrophobicContact CD2-CE1 4.03Å; Y165-Y209 HydrophobicContact CE2-CD1 4.45Å; Y165-Y209 HydrophobicContact CE2-CE1 4.38Å; Y165-Y209 HydrophobicContact CG-CE1 4.48Å; Y165-L271 HydrophobicContact CE2-CD2 3.89Å; Y165-L271 HydrophobicContact CE2-CG 4.02Å; Y165-P273 HydrophobicContact CE1-CB 4.47Å; Y165-P273 HydrophobicContact CE1-CG 4.12Å; Y165-P273 WeakPolarHBondContact OH-CD 3.3Å; Y165-I280 HydrophobicContact CE1-CG1 4.35Å |
| 166 | I | 59.5 | Low | 73.8 | Confident | 110 Ų | 110 | 42.9 Ų | 42.9 | 56% | 0.564 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -62 | -32.2 | -169.9 | -59 | 177.4 | 0 | 0 | 0 | 111.8 | E168 N279 A281 | I166-E168 VanDerWaalsContact C-N 3.27Å; I166-E168 PolarHBondContact O-N 3.21Å; I166-N279 HydrophobicContact CB-CB 4.49Å; I166-N279 PolarHBondContact N-O 2.87Å; I166-A281 HydrophobicContact CG1-CB 3.8Å |
| 167 | E | 62.6 | Low | 74.2 | Confident | 72 Ų | 72 | 42.3 Ų | 42.3 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -69.6 | -18.8 | -175.4 | -61 | 170.4 | -148.9 | 0 | 0 | 113.8 | Y165 A169 R207 N279 | Y165-E167 PolarHBondContact O-N 3.36Å; E167-A169 PolarHBondContact O-N 2.81Å; E167-R207 IonicContact OE2-CZ 2.74Å; E167-R207 VanDerWaalsContact OE2-CZ 3.22Å; E167-R207 IonicContact OE2-NH1 3.28Å; E167-R207 PolarHBondContact OE2-NH1 3.48Å; E167-R207 IonicContact OE2-NH2 3.79Å; E167-R207 PolarHBondContact OE2-NH2 2.62Å; E167-N279 HydrophobicContact CG-CB 4.35Å; E167-N279 PolarHBondContact OE1-ND2 3.34Å |
| 168 | E | 62.1 | Low | 74.5 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -97.4 | 24.7 | -163.5 | -72.3 | -54.9 | 131.9 | 0 | 0 | 115.7 | I161 H162 Y165 I166 E170 L171 R207 Y209 | I161-E168 HydrophobicContact CG2-CB 4.23Å; I161-E168 HydrophobicContact CG2-CG 4.23Å; H162-E168 PolarHBondContact CE1-O 3.25Å; H162-E168 VanDerWaalsContact CE1-O 3.26Å; H162-E168 PolarHBondContact ND1-O 2.73Å; Y165-E168 PolarHBondContact O-N 3.4Å; I166-E168 VanDerWaalsContact C-N 3.27Å; I166-E168 PolarHBondContact O-N 3.21Å; E168-E170 PolarHBondContact O-N 3.12Å; E168-L171 HydrophobicContact CB-CB 4.31Å; E168-L171 PolarHBondContact O-N 2.81Å; E168-L171 WeakPolarHBondContact OE2-CB 3.38Å; E168-L171 WeakPolarHBondContact OE2-CD1 3.27Å; E168-R207 WeakPolarHBondContact OE1-CD 3.4Å; E168-R207 IonicContact OE1-CZ 3.27Å; E168-R207 IonicContact OE1-NE 3.31Å; E168-R207 IonicContact OE1-NH1 2.86Å; E168-R207 PolarHBondContact OE1-NH1 2.85Å; E168-Y209 HydrophobicContact CG-CE2 4.34Å; E168-Y209 WeakPolarHBondContact CG-OH 3.33Å; E168-Y209 PolarHBondContact OE1-OH 2.9Å; E168-Y209 VanDerWaalsContact OE1-OH 3.09Å |
| 169 | A | 58.2 | Low | 75 | Confident | 84 Ų | 84 | 41.2 Ų | 41.2 | 69% | 0.694 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E167 | E167-A169 PolarHBondContact O-N 2.81Š|
| 170 | E | 56.1 | Low | 75.5 | Confident | 136 Ų | 136 | 38.1 Ų | 38.1 | 64% | 0.636 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 21.6 | 173.3 | -66.1 | -149.7 | 162.6 | 0 | 0 | 114.3 | E168 K172 | E168-E170 PolarHBondContact O-N 3.12Å; E170-K172 PolarHBondContact O-N 2.04Å |
| 171 | L | 67.7 | Low | 76 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -54 | 104.6 | 176.8 | -177.7 | 76.8 | 0 | 0 | 0 | 112.3 | I161 E168 N204 Y209 | I161-L171 HydrophobicContact CB-CD2 3.99Å; I161-L171 HydrophobicContact CD1-CD2 3.52Å; I161-L171 HydrophobicContact CG1-CD2 4.36Å; I161-L171 HydrophobicContact CG2-CD2 3.84Å; E168-L171 HydrophobicContact CB-CB 4.31Å; E168-L171 PolarHBondContact O-N 2.81Å; E168-L171 WeakPolarHBondContact OE2-CB 3.38Å; E168-L171 WeakPolarHBondContact OE2-CD1 3.27Å; L171-N204 HydrophobicContact CD1-CB 3.97Å; L171-Y209 HydrophobicContact CD1-CD2 4.43Å; L171-Y209 HydrophobicContact CD1-CE2 3.98Å; L171-Y209 HydrophobicContact CD2-CD2 4.43Å; L171-Y209 HydrophobicContact CD2-CE2 4.44Å | ||
| 172 | K | 72.7 | Confident | 76.3 | Confident | 144 Ų | 144 | 39.8 Ų | 39.8 | 63% | 0.626 | 20% | 0.204 | S | C | * | . | trans | -98.8 | 102.5 | 166 | -67.4 | 175.6 | -170.8 | 166.6 | 0 | 108.6 | E170 Q174 N204 | E170-K172 PolarHBondContact O-N 2.04Å; K172-Q174 PolarHBondContact O-N 2.69Å; K172-Q174 VanDerWaalsContact O-N 3.14Å; K172-N204 WeakPolarHBondContact O-CA 3.39Å; K172-N204 WeakPolarHBondContact O-CB 3.36Å | ||
| 173 | A | 74.4 | Confident | 76.4 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 11% | 0.107 | 21% | 0.212 | C | C | . | . | trans | -54.8 | 120.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | L140 I158 I202 | L140-A173 HydrophobicContact CD1-CB 3.55Å; L140-A173 WeakPolarHBondContact CD1-O 3.47Å; I158-A173 HydrophobicContact CD1-CB 3.82Å; I158-A173 HydrophobicContact CG1-CB 4.32Å; A173-I202 HydrophobicContact CB-CG2 3.53Å | ||
| 174 | Q | 81.1 | Confident | 76.8 | Confident | 78 Ų | 78 | 38.6 Ų | 38.6 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | trans | -99.8 | -30 | 174.7 | -61.1 | -170.1 | 17.1 | 0 | 0 | 110.6 | L140 L141 K172 S203 N204 | L140-Q174 WeakPolarHBondContact CB-O 3.37Å; L140-Q174 PolarHBondContact N-O 2.92Å; L141-Q174 HydrophobicContact CD1-CB 4.34Å; L141-Q174 HydrophobicContact CD2-CB 4.11Å; L141-Q174 HydrophobicContact CD2-CG 3.96Å; L141-Q174 HydrophobicContact CG-CB 4.13Å; K172-Q174 PolarHBondContact O-N 2.69Å; K172-Q174 VanDerWaalsContact O-N 3.14Å; Q174-S203 PolarHBondContact N-O 3.02Å; Q174-N204 VanDerWaalsContact CD-O 3.23Å; Q174-N204 PolarHBondContact NE2-O 3.21Å | ||
| 175 | Y | 86.8 | Confident | 76.8 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 136.2 | -171.8 | 179.2 | -127.2 | 0 | 0 | 0 | 109.7 | Q65 Y66 I68 E137 I138 V177 S203 | Q65-Y175 PolarHBondContact N-OH 2.81Å; Y66-Y175 AromaticContact CD2-CD2 3.72Å; Y66-Y175 HydrophobicContact CD2-CD2 3.72Å; Y66-Y175 AromaticContact CD2-CE2 3.74Å; Y66-Y175 HydrophobicContact CD2-CE2 3.74Å; Y66-Y175 HydrophobicContact CD2-CG 4.25Å; Y66-Y175 VanDerWaalsContact O-CE1 3.25Å; Y66-Y175 WeakPolarHBondContact O-CE1 3.41Å; I68-Y175 HydrophobicContact CD1-CD1 4.19Å; I68-Y175 HydrophobicContact CD1-CE1 3.8Å; I68-Y175 HydrophobicContact CG1-CD1 3.93Å; I68-Y175 HydrophobicContact CG1-CE1 3.7Å; E137-Y175 HydrophobicContact CB-CE2 4.14Å; E137-Y175 PolarHBondContact OE2-OH 3.18Å; I138-Y175 WeakPolarHBondContact O-CA 3.19Å; Y175-V177 HydrophobicContact CD1-CG2 4.32Å; Y175-V177 HydrophobicContact CE1-CG2 3.58Å; Y175-V177 HydrophobicContact CE2-CG2 4.26Å; Y175-S203 PolarHBondContact N-O 3.24Å; Y175-S203 PolarHBondContact O-N 2.95Å |
| 176 | I | 87.1 | Confident | 76.3 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.7 | 175.2 | -62.3 | -179.1 | 0 | 0 | 0 | 108.9 | I138 L140 I154 I200 I201 I202 | I138-I176 HydrophobicContact CB-CB 4.4Å; I138-I176 PolarHBondContact N-O 3.01Å; I138-I176 PolarHBondContact O-N 2.82Å; L140-I176 HydrophobicContact CD1-CD1 3.84Å; L140-I176 HydrophobicContact CD1-CG1 3.93Å; I154-I176 HydrophobicContact CD1-CD1 4.16Å; I154-I176 HydrophobicContact CG1-CD1 3.94Å; I154-I176 HydrophobicContact CG2-CD1 3.96Å; I176-I200 HydrophobicContact CG2-CG2 3.68Å; I176-I201 WeakPolarHBondContact CA-O 3.31Å; I176-I202 HydrophobicContact CD1-CD1 4.37Å; I176-I202 HydrophobicContact CD1-CG1 4.28Å; I176-I202 HydrophobicContact CG1-CB 4.5Å; I176-I202 HydrophobicContact CG1-CG1 4.17Å; I176-I202 HydrophobicContact CG1-CG2 4.25Å |
| 177 | V | 90.3 | Very high | 76.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118 | 167.1 | -178 | 0 | 0 | 0 | 0 | 108.1 | L64 I68 V135 Y175 I179 I200 I201 | L64-V177 HydrophobicContact CD2-CG1 4.43Å; L64-V177 HydrophobicContact CD2-CG2 4.01Å; I68-V177 HydrophobicContact CD1-CG2 3.8Å; V135-V177 HydrophobicContact CG1-CG1 4.14Å; Y175-V177 HydrophobicContact CD1-CG2 4.32Å; Y175-V177 HydrophobicContact CE1-CG2 3.58Å; Y175-V177 HydrophobicContact CE2-CG2 4.26Å; V177-I179 HydrophobicContact CG1-CD1 4.41Å; V177-I179 HydrophobicContact CG1-CG1 4.02Å; V177-I200 WeakPolarHBondContact O-CA 3.45Å; V177-I201 PolarHBondContact N-O 3.23Å; V177-I201 PolarHBondContact O-N 3.13Å |
| 178 | H | 90.5 | Very high | 75.4 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.9 | 172.5 | 173.1 | -131.8 | 0 | 0 | 0 | 109.4 | F37 V135 T136 I200 | F37-H178 HydrophobicContact CD2-CB 4.21Å; F37-H178 AromaticContact CD2-ND1 3.6Å; F37-H178 HydrophobicContact CE2-CB 4.12Å; V135-H178 CarbonylContact C-O 3.56Å; V135-H178 WeakPolarHBondContact CA-O 3.35Å; T136-H178 PolarHBondContact N-O 3.38Å; T136-H178 PolarHBondContact O-N 2.82Å; H178-I200 HydrophobicContact CB-CG1 4.35Å; H178-I200 VanDerWaalsContact CD2-CG1 3.47Å; H178-I200 WeakPolarHBondContact CD2-CG1 3.36Å |
| 179 | I | 92.4 | Very high | 74.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 109.2 | 176.6 | -51 | 170.9 | 0 | 0 | 0 | 106.6 | I78 I80 L86 I133 R134 V135 V177 W181 G198 M199 | I78-I179 HydrophobicContact CD1-CD1 3.8Å; I80-I179 HydrophobicContact CD1-CD1 3.94Å; I80-I179 HydrophobicContact CD1-CG1 4.37Å; I80-I179 HydrophobicContact CD1-CG2 4.37Å; I80-I179 HydrophobicContact CG2-CG2 4.03Å; L86-I179 HydrophobicContact CD1-CD1 3.84Å; L86-I179 HydrophobicContact CD2-CD1 3.77Å; L86-I179 HydrophobicContact CG-CD1 4.48Å; I133-I179 HydrophobicContact CG2-CG2 4Å; R134-I179 WeakPolarHBondContact O-CA 3.07Å; V135-I179 HydrophobicContact CG1-CG1 4.46Å; V177-I179 HydrophobicContact CG1-CD1 4.41Å; V177-I179 HydrophobicContact CG1-CG1 4.02Å; I179-W181 HydrophobicContact CB-CH2 4.07Å; I179-W181 HydrophobicContact CB-CZ3 3.87Å; I179-W181 HydrophobicContact CG2-CD2 4.35Å; I179-W181 HydrophobicContact CG2-CE3 3.99Å; I179-W181 HydrophobicContact CG2-CH2 3.49Å; I179-W181 VanDerWaalsContact CG2-CH2 3.49Å; I179-W181 HydrophobicContact CG2-CZ2 3.87Å; I179-W181 HydrophobicContact CG2-CZ3 3.55Å; I179-W181 WeakPolarHBondContact O-CZ3 3.42Å; I179-G198 CarbonylContact O-C 3.56Å; I179-G198 WeakPolarHBondContact O-CA 3.31Å; I179-M199 PolarHBondContact N-O 2.87Å; I179-M199 PolarHBondContact O-N 2.96Å |
| 180 | L | 90.6 | Very high | 74 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.1 | 179.5 | -174.3 | 65.5 | 0 | 0 | 0 | 109.8 | I133 R134 E182 T196 I215 | I133-L180 CarbonylContact C-O 3.47Å; I133-L180 WeakPolarHBondContact CA-O 3.18Å; R134-L180 HydrophobicContact CB-CB 4.45Å; R134-L180 PolarHBondContact N-O 2.77Å; R134-L180 PolarHBondContact O-N 3.12Å; L180-E182 HydrophobicContact CD2-CG 3.56Å; L180-E182 HydrophobicContact CG-CG 3.78Å; L180-T196 HydrophobicContact CD1-CG2 4.3Å; L180-I215 HydrophobicContact CD1-CD1 3.63Å |
| 181 | W | 89.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 102.1 | 167.8 | -70.6 | -101.2 | 0 | 0 | 0 | 106.9 | I80 R81 K82 L86 I121 I133 I179 M184 T196 Y197 M199 | I80-W181 HydrophobicContact CG2-CZ2 3.96Å; R81-W181 PolarHBondContact O-NE1 3.46Å; R81-W181 VanDerWaalsContact O-NE1 3.07Å; K82-W181 PolarHBondContact O-NE1 2.88Å; L86-W181 HydrophobicContact CD2-CH2 4.11Å; L86-W181 HydrophobicContact CD2-CZ2 4.28Å; I121-W181 HydrophobicContact CG2-CE3 4.32Å; I121-W181 HydrophobicContact CG2-CH2 3.99Å; I121-W181 HydrophobicContact CG2-CZ3 3.8Å; I133-W181 HydrophobicContact CG1-CG 4.2Å; I179-W181 HydrophobicContact CB-CH2 4.07Å; I179-W181 HydrophobicContact CB-CZ3 3.87Å; I179-W181 HydrophobicContact CG2-CD2 4.35Å; I179-W181 HydrophobicContact CG2-CE3 3.99Å; I179-W181 HydrophobicContact CG2-CH2 3.49Å; I179-W181 VanDerWaalsContact CG2-CH2 3.49Å; I179-W181 HydrophobicContact CG2-CZ2 3.87Å; I179-W181 HydrophobicContact CG2-CZ3 3.55Å; I179-W181 WeakPolarHBondContact O-CZ3 3.42Å; W181-M184 HydrophobicContact CB-CG 3.64Å; W181-M184 HydrophobicContact CB-SD 4.35Å; W181-M184 HydrophobicContact CG-CG 4.29Å; W181-T196 VanDerWaalsContact O-CA 3.28Å; W181-T196 WeakPolarHBondContact O-CA 3.39Å; W181-Y197 HydrophobicContact CB-CD1 4.22Å; W181-Y197 HydrophobicContact CB-CD2 3.98Å; W181-Y197 HydrophobicContact CB-CE1 3.81Å; W181-Y197 HydrophobicContact CB-CE2 3.57Å; W181-Y197 HydrophobicContact CB-CG 4.28Å; W181-Y197 VanDerWaalsContact CB-CZ 3.46Å; W181-Y197 AromaticContact CD1-CE2 3.91Å; W181-Y197 AromaticContact CD1-CZ 3.77Å; W181-Y197 VanDerWaalsContact CD1-OH 3.24Å; W181-Y197 AromaticContact CD2-CD2 3.99Å; W181-Y197 HydrophobicContact CD2-CD2 3.99Å; W181-Y197 AromaticContact CD2-CE2 3.38Å; W181-Y197 HydrophobicContact CD2-CE2 3.38Å; W181-Y197 AromaticContact CE3-CD2 3.78Å; W181-Y197 HydrophobicContact CE3-CD2 3.78Å; W181-Y197 AromaticContact CE3-CE2 3.64Å; W181-Y197 HydrophobicContact CE3-CE2 3.64Å; W181-Y197 HydrophobicContact CG-CD2 4.11Å; W181-Y197 HydrophobicContact CG-CE1 4.34Å; W181-Y197 AromaticContact CG-CE2 3.36Å; W181-Y197 HydrophobicContact CG-CE2 3.36Å; W181-Y197 AromaticContact CG-CZ 3.49Å; W181-Y197 VanDerWaalsContact CG-CZ 3.49Å; W181-Y197 HydrophobicContact CZ3-CE2 4.43Å; W181-Y197 PolarHBondContact N-O 2.78Å; W181-Y197 PolarHBondContact O-N 3.02Å; W181-Y197 VanDerWaalsContact O-N 3.08Å; W181-M199 HydrophobicContact CZ3-CB 3.93Å |
| 182 | E | 85.5 | Confident | 72.9 | Confident | 35 Ų | 35 | 54 Ų | 54 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.9 | 178.5 | -65.2 | -176 | 168.8 | 0 | 0 | 111 | G131 R132 R134 L180 M184 | G131-E182 CarbonylContact C-O 3.59Å; G131-E182 WeakPolarHBondContact CA-O 3.03Å; R132-E182 HydrophobicContact CB-CB 4.34Å; R132-E182 WeakPolarHBondContact CD-OE2 3.18Å; R132-E182 IonicContact CZ-OE2 3.66Å; R132-E182 PolarHBondContact N-O 2.85Å; R132-E182 IonicContact NH1-OE2 2.71Å; R132-E182 PolarHBondContact NH1-OE2 3.26Å; R132-E182 PolarHBondContact O-N 3.4Å; R134-E182 WeakPolarHBondContact CD-OE1 3.46Å; R134-E182 WeakPolarHBondContact CD-OE2 3.35Å; R134-E182 IonicContact CZ-OE1 3.49Å; R134-E182 IonicContact NE-OE1 3.17Å; R134-E182 IonicContact NH1-OE1 3.5Å; R134-E182 PolarHBondContact NH1-OE1 2.69Å; R134-E182 IonicContact NH1-OE2 3.07Å; R134-E182 PolarHBondContact NH1-OE2 2.85Å; L180-E182 HydrophobicContact CD2-CG 3.56Å; L180-E182 HydrophobicContact CG-CG 3.78Å; E182-M184 PolarHBondContact O-N 2.94Å; E182-M184 VanDerWaalsContact O-N 3.12Å |
| 183 | N | 82.4 | Confident | 72.4 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47 | 40.3 | 173.4 | -66.4 | -6.9 | 0 | 0 | 0 | 114.3 | G131 T185 A194 N195 T196 | G131-N183 WeakPolarHBondContact CA-O 3.43Å; N183-T185 PolarHBondContact O-N 3.49Å; N183-T185 VanDerWaalsContact O-N 3.13Å; N183-A194 HydrophobicContact CB-CB 4.4Å; N183-N195 CarbonylContact C-O 3.59Å; N183-N195 PolarHBondContact N-O 3.37Å; N183-T196 PolarHBondContact N-OG1 3.29Å; N183-T196 PolarHBondContact OD1-OG1 2.7Å |
| 184 | M | 80.7 | Confident | 72.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 113.5 | 174.9 | -58.9 | -55.8 | -62 | 0 | 0 | 108.8 | Y51 K82 N126 I133 W181 E182 N195 Y197 | Y51-M184 HydrophobicContact CD2-CE 4.46Å; Y51-M184 HydrophobicContact CE2-CE 4.4Å; K82-M184 HydrophobicContact CB-CE 4.1Å; N126-M184 HydrophobicContact CB-CB 3.93Å; N126-M184 WeakPolarHBondContact OD1-CB 3.42Å; N126-M184 PolarHBondContact OD1-O 3.46Å; I133-M184 HydrophobicContact CG1-SD 4.22Å; W181-M184 HydrophobicContact CB-CG 3.64Å; W181-M184 HydrophobicContact CB-SD 4.35Å; W181-M184 HydrophobicContact CG-CG 4.29Å; E182-M184 PolarHBondContact O-N 2.94Å; E182-M184 VanDerWaalsContact O-N 3.12Å; M184-N195 PolarHBondContact N-O 2.04Å; M184-N195 PolarHBondContact O-N 2.81Å; M184-Y197 HydrophobicContact CB-CE1 4.41Å; M184-Y197 HydrophobicContact CG-CE1 4.27Å |
| 185 | T | 72.5 | Confident | 72.1 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 160.1 | 177.7 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | G128 S130 N183 A194 | G128-T185 WeakPolarHBondContact CA-O 3.44Å; G128-T185 PolarHBondContact N-O 3.03Å; S130-T185 PolarHBondContact N-OG1 3.25Å; S130-T185 PolarHBondContact O-N 2.79Å; S130-T185 PolarHBondContact O-OG1 2.76Å; S130-T185 WeakPolarHBondContact OG-CG2 3.42Å; S130-T185 PolarHBondContact OG-OG1 3.15Å; S130-T185 VanDerWaalsContact OG-OG1 3.04Å; N183-T185 PolarHBondContact O-N 3.49Å; N183-T185 VanDerWaalsContact O-N 3.13Å; T185-A194 HydrophobicContact CG2-CB 4.31Å |
| 186 | N | 60.9 | Low | 72 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | trans | -89 | 149.9 | 155.6 | -160.8 | -20.2 | 0 | 0 | 0 | 109.5 | D223 | N186-D223 PolarHBondContact ND2-OD1 2.57Å; N186-D223 PolarHBondContact ND2-OD2 2.74Å | ||
| 187 | A | 54.6 | Low | 72 | Confident | 43 Ų | 43 | 47 Ų | 47 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -77 | -31.5 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 188 | Y | 46.7 | Very low | 71.8 | Confident | 164 Ų | 164 | 47 Ų | 47 | 64% | 0.643 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -114.7 | -10.8 | -151.4 | -87.4 | -68.3 | 0 | 0 | 0 | 118.7 | ||
| 189 | L | 41.8 | Very low | 71.8 | Confident | 56 Ų | 56 | 46.9 Ų | 46.9 | 29% | 0.293 | 24% | 0.238 | S | C | . | . | trans | -119.1 | 151.5 | -171.7 | -78.8 | 163.2 | 0 | 0 | 0 | 115.6 | N191 N220 N222 | L189-N191 CarbonylContact O-C 3.52Å; L189-N191 PolarHBondContact O-N 3.25Å; L189-N191 VanDerWaalsContact O-N 3.1Å; L189-N220 VanDerWaalsContact CD1-ND2 3.31Å; L189-N220 WeakPolarHBondContact CD1-ND2 3.39Å; L189-N222 HydrophobicContact CD1-CB 3.72Å; L189-N222 WeakPolarHBondContact CD1-ND2 3.47Å | ||
| 190 | I | 49.8 | Very low | 71.8 | Confident | 167 Ų | 167 | 46.9 Ų | 46.9 | 86% | 0.856 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -60.7 | -25.2 | -165.4 | -66.5 | 162.9 | 0 | 0 | 0 | 113.4 | ||
| 191 | N | 48.4 | Very low | 71.9 | Confident | 131 Ų | 131 | 46.7 Ų | 46.7 | 70% | 0.701 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -97.9 | 98.3 | 169.3 | -66.1 | -38.8 | 0 | 0 | 0 | 108.6 | L189 K193 | L189-N191 CarbonylContact O-C 3.52Å; L189-N191 PolarHBondContact O-N 3.25Å; L189-N191 VanDerWaalsContact O-N 3.1Å; N191-K193 VanDerWaalsContact C-N 3.25Å; N191-K193 PolarHBondContact O-N 3.11Å |
| 192 | Q | 53.2 | Low | 71.9 | Confident | 146 Ų | 146 | 46.7 Ų | 46.7 | 68% | 0.682 | 24% | 0.237 | S | C | * | . | trans | -66.9 | 82.6 | 174.5 | -72.2 | -174.3 | -39.3 | 0 | 0 | 111 | ||||
| 193 | K | 62.2 | Low | 72.1 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 30% | 0.3 | 23% | 0.23 | S | C | . | . | trans | -68.1 | 138 | 166.5 | -73.7 | 179.2 | 172.4 | 175 | 0 | 109.2 | N191 E218 W219 N220 | N191-K193 VanDerWaalsContact C-N 3.25Å; N191-K193 PolarHBondContact O-N 3.11Å; K193-E218 WeakPolarHBondContact CA-OE2 3.32Å; K193-E218 HydrophobicContact CB-CB 3.79Å; K193-E218 HydrophobicContact CD-CB 4.17Å; K193-E218 HydrophobicContact CG-CB 4.01Å; K193-W219 WeakPolarHBondContact CD-O 3.04Å; K193-W219 PolarHBondContact NZ-O 2.79Å; K193-N220 HydrophobicContact CD-CB 4.3Å | ||
| 194 | A | 72.8 | Confident | 72.2 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 116.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N183 T185 E218 | N183-A194 HydrophobicContact CB-CB 4.4Å; T185-A194 HydrophobicContact CG2-CB 4.31Å; A194-E218 PolarHBondContact N-OE2 3.25Å |
| 195 | N | 75.8 | Confident | 72.1 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.1 | 179.4 | -59.2 | -57.8 | 0 | 0 | 0 | 110.5 | V125 N126 N183 M184 Y197 Q216 V217 E218 | V125-N195 PolarHBondContact O-ND2 2.98Å; N126-N195 WeakPolarHBondContact OD1-CB 3.04Å; N126-N195 PolarHBondContact OD1-ND2 2.98Å; N183-N195 CarbonylContact C-O 3.59Å; N183-N195 PolarHBondContact N-O 3.37Å; M184-N195 PolarHBondContact N-O 2.04Å; M184-N195 PolarHBondContact O-N 2.81Å; N195-Y197 HydrophobicContact CB-CD1 4Å; N195-Y197 HydrophobicContact CB-CE1 4.02Å; N195-Q216 CarbonylContact C-O 3.54Å; N195-Q216 WeakPolarHBondContact CA-O 3.35Å; N195-V217 WeakPolarHBondContact OD1-CA 3.04Å; N195-E218 PolarHBondContact OD1-N 2.71Å |
| 196 | T | 84 | Confident | 72.4 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.2 | 166.8 | -63.7 | 0 | 0 | 0 | 0 | 109.4 | L180 W181 N183 I215 Q216 | L180-T196 HydrophobicContact CD1-CG2 4.3Å; W181-T196 VanDerWaalsContact O-CA 3.28Å; W181-T196 WeakPolarHBondContact O-CA 3.39Å; N183-T196 PolarHBondContact N-OG1 3.29Å; N183-T196 PolarHBondContact OD1-OG1 2.7Å; T196-I215 HydrophobicContact CG2-CB 4.07Å; T196-I215 HydrophobicContact CG2-CD1 4.44Å; T196-I215 HydrophobicContact CG2-CG2 4.08Å; T196-I215 CarbonylContact O-C 3.57Å; T196-I215 WeakPolarHBondContact O-CA 3.36Å; T196-I215 WeakPolarHBondContact O-CB 3.49Å; T196-I215 PolarHBondContact O-N 3.17Å; T196-Q216 PolarHBondContact N-O 3.22Å; T196-Q216 PolarHBondContact O-N 2.92Å; T196-Q216 VanDerWaalsContact O-O 3.08Å |
| 197 | Y | 86.9 | Confident | 73.4 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 150.8 | -178.3 | 54.5 | -83.8 | 0 | 0 | 0 | 110.3 | K82 N83 I121 F122 N126 W181 M184 N195 Q213 | K82-Y197 PolarHBondContact O-OH 2.95Å; N83-Y197 PolarHBondContact O-OH 2.85Å; I121-Y197 HydrophobicContact CD1-CD2 4.11Å; I121-Y197 HydrophobicContact CG1-CD2 4.2Å; I121-Y197 HydrophobicContact CG2-CD2 3.73Å; I121-Y197 HydrophobicContact CG2-CE2 3.88Å; F122-Y197 HydrophobicContact CB-CE2 4.32Å; N126-Y197 WeakPolarHBondContact ND2-CE1 3.41Å; N126-Y197 PolarHBondContact ND2-OH 2.81Å; W181-Y197 HydrophobicContact CB-CD1 4.22Å; W181-Y197 HydrophobicContact CB-CD2 3.98Å; W181-Y197 HydrophobicContact CB-CE1 3.81Å; W181-Y197 HydrophobicContact CB-CE2 3.57Å; W181-Y197 HydrophobicContact CB-CG 4.28Å; W181-Y197 VanDerWaalsContact CB-CZ 3.46Å; W181-Y197 AromaticContact CD1-CE2 3.91Å; W181-Y197 AromaticContact CD1-CZ 3.77Å; W181-Y197 VanDerWaalsContact CD1-OH 3.24Å; W181-Y197 AromaticContact CD2-CD2 3.99Å; W181-Y197 HydrophobicContact CD2-CD2 3.99Å; W181-Y197 AromaticContact CD2-CE2 3.38Å; W181-Y197 HydrophobicContact CD2-CE2 3.38Å; W181-Y197 AromaticContact CE3-CD2 3.78Å; W181-Y197 HydrophobicContact CE3-CD2 3.78Å; W181-Y197 AromaticContact CE3-CE2 3.64Å; W181-Y197 HydrophobicContact CE3-CE2 3.64Å; W181-Y197 HydrophobicContact CG-CD2 4.11Å; W181-Y197 HydrophobicContact CG-CE1 4.34Å; W181-Y197 AromaticContact CG-CE2 3.36Å; W181-Y197 HydrophobicContact CG-CE2 3.36Å; W181-Y197 AromaticContact CG-CZ 3.49Å; W181-Y197 VanDerWaalsContact CG-CZ 3.49Å; W181-Y197 HydrophobicContact CZ3-CE2 4.43Å; W181-Y197 PolarHBondContact N-O 2.78Å; W181-Y197 PolarHBondContact O-N 3.02Å; W181-Y197 VanDerWaalsContact O-N 3.08Å; M184-Y197 HydrophobicContact CB-CE1 4.41Å; M184-Y197 HydrophobicContact CG-CE1 4.27Å; N195-Y197 HydrophobicContact CB-CD1 4Å; N195-Y197 HydrophobicContact CB-CE1 4.02Å; Y197-Q213 CarbonylContact C-O 3.5Å; Y197-Q213 WeakPolarHBondContact CA-O 3.46Å; Y197-Q213 WeakPolarHBondContact CB-O 3.32Å |
| 198 | G | 87.4 | Confident | 75 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I121 I179 Q213 | I121-G198 WeakPolarHBondContact CD1-O 3.24Å; I179-G198 CarbonylContact O-C 3.56Å; I179-G198 WeakPolarHBondContact O-CA 3.31Å; G198-Q213 PolarHBondContact N-O 2.94Å; G198-Q213 WeakPolarHBondContact O-CB 3.33Å; G198-Q213 WeakPolarHBondContact O-CG 3.28Å; G198-Q213 PolarHBondContact O-N 2.82Å |
| 199 | M | 91 | Very high | 77 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.8 | 170.8 | -168.4 | -170.5 | -65.4 | 0 | 0 | 109.4 | L86 L119 I121 I179 W181 I201 F211 M212 | L86-M199 HydrophobicContact CD1-CE 4.03Å; L86-M199 HydrophobicContact CD1-SD 3.5Å; L86-M199 WeakPolarHBondContact CD1-SD 3.36Å; L86-M199 HydrophobicContact CG-CE 4.33Å; L86-M199 HydrophobicContact CG-SD 4.41Å; L119-M199 HydrophobicContact CB-CE 4.4Å; L119-M199 HydrophobicContact CD2-CE 4.33Å; L119-M199 HydrophobicContact CD2-SD 3.76Å; I121-M199 HydrophobicContact CB-CE 3.72Å; I121-M199 HydrophobicContact CG2-CE 3.85Å; I179-M199 PolarHBondContact N-O 2.87Å; I179-M199 PolarHBondContact O-N 2.96Å; W181-M199 HydrophobicContact CZ3-CB 3.93Å; M199-I201 HydrophobicContact SD-CD1 4.37Å; M199-I201 HydrophobicContact SD-CG1 4.35Å; M199-F211 WeakPolarHBondContact CA-O 3.38Å; M199-M212 HydrophobicContact CE-CE 4.36Å |
| 200 | I | 90.8 | Very high | 79.2 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.5 | 175.9 | -57.2 | 169.9 | 0 | 0 | 0 | 108.3 | F35 L157 I176 V177 H178 I202 A210 F211 | F35-I200 HydrophobicContact CB-CD1 3.64Å; F35-I200 HydrophobicContact CD1-CD1 4.23Å; F35-I200 HydrophobicContact CD2-CD1 4.02Å; F35-I200 HydrophobicContact CG-CD1 3.7Å; L157-I200 HydrophobicContact CD1-CD1 3.76Å; L157-I200 HydrophobicContact CD1-CG2 4.25Å; I176-I200 HydrophobicContact CG2-CG2 3.68Å; V177-I200 WeakPolarHBondContact O-CA 3.45Å; H178-I200 HydrophobicContact CB-CG1 4.35Å; H178-I200 VanDerWaalsContact CD2-CG1 3.47Å; H178-I200 WeakPolarHBondContact CD2-CG1 3.36Å; I200-I202 HydrophobicContact CG2-CD1 4.39Å; I200-I202 HydrophobicContact CG2-CG1 3.83Å; I200-A210 CarbonylContact O-C 3.54Å; I200-A210 WeakPolarHBondContact O-CA 3.43Å; I200-F211 HydrophobicContact CB-CB 4.31Å; I200-F211 PolarHBondContact N-O 2.83Å; I200-F211 PolarHBondContact O-N 3.31Å |
| 201 | I | 92.9 | Very high | 81 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115.5 | 170.8 | -57 | 175.9 | 0 | 0 | 0 | 107.9 | I68 L86 I176 V177 M199 Y209 L274 | I68-I201 HydrophobicContact CD1-CG2 4.02Å; I68-I201 HydrophobicContact CG2-CG2 4.12Å; L86-I201 HydrophobicContact CD1-CD1 4.33Å; I176-I201 WeakPolarHBondContact CA-O 3.31Å; V177-I201 PolarHBondContact N-O 3.23Å; V177-I201 PolarHBondContact O-N 3.13Å; M199-I201 HydrophobicContact SD-CD1 4.37Å; M199-I201 HydrophobicContact SD-CG1 4.35Å; I201-Y209 CarbonylContact C-O 3.55Å; I201-Y209 WeakPolarHBondContact CA-O 3.03Å; I201-L274 HydrophobicContact CG2-CD1 3.95Å |
| 202 | I | 90.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128 | 174.8 | -55.5 | -171.5 | 0 | 0 | 0 | 108.2 | L157 I161 A173 I176 I200 S208 Y209 F211 | L157-I202 HydrophobicContact CB-CD1 3.8Å; L157-I202 HydrophobicContact CD1-CD1 3.95Å; I161-I202 HydrophobicContact CD1-CD1 4.39Å; A173-I202 HydrophobicContact CB-CG2 3.53Å; I176-I202 HydrophobicContact CD1-CD1 4.37Å; I176-I202 HydrophobicContact CD1-CG1 4.28Å; I176-I202 HydrophobicContact CG1-CB 4.5Å; I176-I202 HydrophobicContact CG1-CG1 4.17Å; I176-I202 HydrophobicContact CG1-CG2 4.25Å; I200-I202 HydrophobicContact CG2-CD1 4.39Å; I200-I202 HydrophobicContact CG2-CG1 3.83Å; I202-S208 CarbonylContact O-C 3.58Å; I202-S208 VanDerWaalsContact O-CA 3.27Å; I202-S208 WeakPolarHBondContact O-CA 3.04Å; I202-Y209 PolarHBondContact N-O 2.87Å; I202-Y209 PolarHBondContact O-N 2.96Å; I202-F211 HydrophobicContact CD1-CD2 4.22Å; I202-F211 HydrophobicContact CD1-CE2 3.97Å |
| 203 | S | 89.2 | Confident | 84.3 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.4 | 177.3 | -165.4 | 0 | 0 | 0 | 0 | 112.9 | Q174 Y175 G205 R207 S208 | Q174-S203 PolarHBondContact N-O 3.02Å; Y175-S203 PolarHBondContact N-O 3.24Å; Y175-S203 PolarHBondContact O-N 2.95Å; S203-G205 PolarHBondContact OG-N 3.14Å; S203-R207 WeakPolarHBondContact CA-O 3.47Å; S203-R207 PolarHBondContact OG-O 2.74Å; S203-R207 VanDerWaalsContact OG-O 3.13Å; S203-S208 WeakPolarHBondContact CB-OG 3.35Å; S203-S208 PolarHBondContact OG-OG 2.7Å |
| 204 | N | 83.6 | Confident | 85.1 | Confident | 24 Ų | 24 | 15.3 Ų | 15.3 | 13% | 0.128 | 9% | 0.088 | C | C | . | . | trans | -101 | 8.5 | 168.2 | 72.1 | 8 | 0 | 0 | 0 | 112.8 | L171 K172 Q174 I206 R207 | L171-N204 HydrophobicContact CD1-CB 3.97Å; K172-N204 WeakPolarHBondContact O-CA 3.39Å; K172-N204 WeakPolarHBondContact O-CB 3.36Å; Q174-N204 VanDerWaalsContact CD-O 3.23Å; Q174-N204 PolarHBondContact NE2-O 3.21Å; N204-I206 VanDerWaalsContact C-N 3.31Å; N204-I206 WeakPolarHBondContact OD1-CA 3.32Å; N204-I206 WeakPolarHBondContact OD1-CB 3.32Å; N204-I206 PolarHBondContact OD1-N 3.2Å; N204-R207 PolarHBondContact N-O 2.98Å; N204-R207 VanDerWaalsContact N-O 3.13Å; N204-R207 PolarHBondContact OD1-N 3.24Å; N204-R207 PolarHBondContact OD1-O 3.17Å | ||
| 205 | G | 79.1 | Confident | 85.1 | Confident | 43 Ų | 43 | 15 Ų | 15 | 44% | 0.443 | 8% | 0.084 | S | C | . | . | S | Bend | trans | 84.3 | -4.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | S203 | S203-G205 PolarHBondContact OG-N 3.14Š|
| 206 | I | 78.5 | Confident | 85.1 | Confident | 139 Ų | 139 | 18.7 Ų | 18.7 | 71% | 0.713 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -127.2 | -42.7 | 179.2 | -52.5 | 175 | 0 | 0 | 0 | 111.2 | P69 N204 | P69-I206 VanDerWaalsContact CG-C 3.46Å; P69-I206 WeakPolarHBondContact CG-O 3.47Å; N204-I206 VanDerWaalsContact C-N 3.31Å; N204-I206 WeakPolarHBondContact OD1-CA 3.32Å; N204-I206 WeakPolarHBondContact OD1-CB 3.32Å; N204-I206 PolarHBondContact OD1-N 3.2Å |
| 207 | R | 81.7 | Confident | 84.4 | Confident | 74 Ų | 74 | 19.2 Ų | 19.2 | 28% | 0.279 | 10% | 0.104 | S | C | . | . | trans | -127 | 152.6 | 177.4 | -70.1 | 179.8 | 168.5 | -158.7 | -10.6 | 109.9 | E167 E168 S203 N204 Y209 | E167-R207 IonicContact OE2-CZ 2.74Å; E167-R207 VanDerWaalsContact OE2-CZ 3.22Å; E167-R207 IonicContact OE2-NH1 3.28Å; E167-R207 PolarHBondContact OE2-NH1 3.48Å; E167-R207 IonicContact OE2-NH2 3.79Å; E167-R207 PolarHBondContact OE2-NH2 2.62Å; E168-R207 WeakPolarHBondContact OE1-CD 3.4Å; E168-R207 IonicContact OE1-CZ 3.27Å; E168-R207 IonicContact OE1-NE 3.31Å; E168-R207 IonicContact OE1-NH1 2.86Å; E168-R207 PolarHBondContact OE1-NH1 2.85Å; S203-R207 WeakPolarHBondContact CA-O 3.47Å; S203-R207 PolarHBondContact OG-O 2.74Å; S203-R207 VanDerWaalsContact OG-O 3.13Å; N204-R207 PolarHBondContact N-O 2.98Å; N204-R207 VanDerWaalsContact N-O 3.13Å; N204-R207 PolarHBondContact OD1-N 3.24Å; N204-R207 PolarHBondContact OD1-O 3.17Å; R207-Y209 HydrophobicContact CB-CE2 4.32Å | ||
| 208 | S | 89.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 149.3 | -176.1 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | I68 P69 I202 S203 L274 | I68-S208 VanDerWaalsContact CG2-OG 3.25Å; I68-S208 WeakPolarHBondContact CG2-OG 3.44Å; P69-S208 VanDerWaalsContact O-CB 3.29Å; P69-S208 WeakPolarHBondContact O-CB 3.36Å; P69-S208 PolarHBondContact O-OG 3.24Å; I202-S208 CarbonylContact O-C 3.58Å; I202-S208 VanDerWaalsContact O-CA 3.27Å; I202-S208 WeakPolarHBondContact O-CA 3.04Å; S203-S208 WeakPolarHBondContact CB-OG 3.35Å; S203-S208 PolarHBondContact OG-OG 2.7Å; S208-L274 WeakPolarHBondContact O-CB 3.18Å; S208-L274 PolarHBondContact O-N 2.75Å |
| 209 | Y | 88.1 | Confident | 82 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140 | -177.2 | -61.3 | -90.2 | 0 | 0 | 0 | 109.8 | I161 Y165 E168 L171 I201 I202 R207 L271 P273 Y275 | I161-Y209 HydrophobicContact CD1-CD2 3.91Å; I161-Y209 HydrophobicContact CD1-CG 3.82Å; I161-Y209 HydrophobicContact CG1-CD1 4.48Å; I161-Y209 HydrophobicContact CG1-CG 4.24Å; I161-Y209 HydrophobicContact CG2-CD1 3.95Å; I161-Y209 HydrophobicContact CG2-CD2 4.19Å; I161-Y209 HydrophobicContact CG2-CE1 3.85Å; I161-Y209 HydrophobicContact CG2-CE2 4.11Å; I161-Y209 HydrophobicContact CG2-CG 4.15Å; Y165-Y209 HydrophobicContact CD2-CD1 4.45Å; Y165-Y209 HydrophobicContact CD2-CE1 4.03Å; Y165-Y209 HydrophobicContact CE2-CD1 4.45Å; Y165-Y209 HydrophobicContact CE2-CE1 4.38Å; Y165-Y209 HydrophobicContact CG-CE1 4.48Å; E168-Y209 HydrophobicContact CG-CE2 4.34Å; E168-Y209 WeakPolarHBondContact CG-OH 3.33Å; E168-Y209 PolarHBondContact OE1-OH 2.9Å; E168-Y209 VanDerWaalsContact OE1-OH 3.09Å; L171-Y209 HydrophobicContact CD1-CD2 4.43Å; L171-Y209 HydrophobicContact CD1-CE2 3.98Å; L171-Y209 HydrophobicContact CD2-CD2 4.43Å; L171-Y209 HydrophobicContact CD2-CE2 4.44Å; I201-Y209 CarbonylContact C-O 3.55Å; I201-Y209 WeakPolarHBondContact CA-O 3.03Å; I202-Y209 PolarHBondContact N-O 2.87Å; I202-Y209 PolarHBondContact O-N 2.96Å; R207-Y209 HydrophobicContact CB-CE2 4.32Å; Y209-L271 HydrophobicContact CD1-CD1 4.39Å; Y209-P273 HydrophobicContact CD1-CB 4.23Å; Y209-P273 HydrophobicContact CE1-CB 4.09Å; Y209-Y275 AromaticContact CE1-CE1 3.63Å; Y209-Y275 HydrophobicContact CE1-CE1 3.63Å; Y209-Y275 HydrophobicContact CE2-CE1 4.49Å; Y209-Y275 AromaticContact CZ-CE1 3.56Å; Y209-Y275 WeakPolarHBondContact OH-CE1 3.39Å; Y209-Y275 VanDerWaalsContact OH-CZ 3.3Å; Y209-Y275 PolarHBondContact OH-OH 3.09Å |
| 210 | A | 88.7 | Confident | 80 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L119 I200 V272 L274 | L119-A210 HydrophobicContact CD2-CB 4.29Å; I200-A210 CarbonylContact O-C 3.54Å; I200-A210 WeakPolarHBondContact O-CA 3.43Å; A210-V272 PolarHBondContact N-O 2.97Å; A210-V272 PolarHBondContact O-N 3.4Å; A210-L274 HydrophobicContact CB-CD1 4.3Å; A210-L274 HydrophobicContact CB-CD2 3.87Å; A210-L274 HydrophobicContact CB-CG 4.3Å |
| 211 | F | 88 | Confident | 77.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.1 | 157.1 | -71 | -92.3 | 0 | 0 | 0 | 109 | I15 L157 F160 I161 M199 I200 I202 W270 L271 | I15-F211 HydrophobicContact CD1-CD1 4.39Å; I15-F211 HydrophobicContact CD1-CE1 3.82Å; L157-F211 HydrophobicContact CB-CD2 4.43Å; L157-F211 HydrophobicContact CB-CE2 3.77Å; L157-F211 HydrophobicContact CB-CZ 3.94Å; L157-F211 HydrophobicContact CD1-CD2 4.13Å; L157-F211 HydrophobicContact CD1-CE2 4.3Å; L157-F211 HydrophobicContact CD2-CD1 3.91Å; L157-F211 HydrophobicContact CD2-CD2 4.14Å; L157-F211 HydrophobicContact CD2-CE1 3.77Å; L157-F211 HydrophobicContact CD2-CE2 4Å; L157-F211 HydrophobicContact CD2-CG 4.09Å; L157-F211 HydrophobicContact CD2-CZ 3.81Å; L157-F211 HydrophobicContact CG-CD2 4.47Å; L157-F211 HydrophobicContact CG-CE2 4.23Å; L157-F211 HydrophobicContact CG-CZ 4.39Å; L157-F211 WeakPolarHBondContact O-CZ 3.46Å; F160-F211 HydrophobicContact CB-CE1 4.28Å; F160-F211 HydrophobicContact CB-CZ 4.16Å; F160-F211 HydrophobicContact CD2-CE1 4.33Å; I161-F211 HydrophobicContact CD1-CE2 3.94Å; I161-F211 HydrophobicContact CD1-CZ 4.42Å; I161-F211 HydrophobicContact CG1-CE2 3.95Å; I161-F211 HydrophobicContact CG1-CZ 3.93Å; M199-F211 WeakPolarHBondContact CA-O 3.38Å; I200-F211 HydrophobicContact CB-CB 4.31Å; I200-F211 PolarHBondContact N-O 2.83Å; I200-F211 PolarHBondContact O-N 3.31Å; I202-F211 HydrophobicContact CD1-CD2 4.22Å; I202-F211 HydrophobicContact CD1-CE2 3.97Å; F211-W270 CarbonylContact C-O 3.44Å; F211-W270 VanDerWaalsContact CA-O 3.23Å; F211-W270 WeakPolarHBondContact CA-O 3.5Å; F211-L271 HydrophobicContact CD1-CB 4.12Å; F211-L271 HydrophobicContact CD1-CD1 4.26Å; F211-L271 HydrophobicContact CD2-CD1 4.21Å; F211-L271 HydrophobicContact CE1-CB 3.91Å; F211-L271 HydrophobicContact CE1-CD1 3.94Å; F211-L271 HydrophobicContact CE1-CD2 4.16Å; F211-L271 HydrophobicContact CE1-CG 4.22Å; F211-L271 HydrophobicContact CE2-CD1 3.89Å; F211-L271 HydrophobicContact CG-CD1 4.39Å; F211-L271 HydrophobicContact CZ-CD1 3.76Å; F211-L271 HydrophobicContact CZ-CD2 4.11Å; F211-L271 HydrophobicContact CZ-CG 4.35Å |
| 212 | M | 86 | Confident | 75.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.1 | 172.5 | -63.4 | 177.9 | -177.1 | 0 | 0 | 109 | S120 I121 M199 L246 E269 W270 | S120-M212 VanDerWaalsContact O-CE 3.26Å; S120-M212 WeakPolarHBondContact O-CE 3.45Å; I121-M212 HydrophobicContact CB-CG 4.29Å; I121-M212 HydrophobicContact CB-SD 4.4Å; I121-M212 HydrophobicContact CD1-CB 3.81Å; I121-M212 HydrophobicContact CD1-CG 4.31Å; I121-M212 HydrophobicContact CG1-CB 4.03Å; I121-M212 HydrophobicContact CG1-CG 4.28Å; M199-M212 HydrophobicContact CE-CE 4.36Å; M212-L246 HydrophobicContact CE-CD1 4.47Å; M212-L246 HydrophobicContact SD-CD1 3.55Å; M212-L246 VanDerWaalsContact SD-CD1 3.55Å; M212-E269 WeakPolarHBondContact O-CA 3.44Å; M212-W270 HydrophobicContact CB-CB 4.34Å; M212-W270 PolarHBondContact N-O 3.4Å; M212-W270 PolarHBondContact O-N 2.97Å |
| 213 | Q | 83.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.3 | -170 | -42.6 | -179.4 | -86.9 | 0 | 0 | 110.5 | Y34 F35 Y197 G198 I215 G268 E269 | Y34-Q213 HydrophobicContact CD1-CB 4.31Å; F35-Q213 VanDerWaalsContact N-NE2 3.11Å; Y197-Q213 CarbonylContact C-O 3.5Å; Y197-Q213 WeakPolarHBondContact CA-O 3.46Å; Y197-Q213 WeakPolarHBondContact CB-O 3.32Å; G198-Q213 PolarHBondContact N-O 2.94Å; G198-Q213 WeakPolarHBondContact O-CB 3.33Å; G198-Q213 WeakPolarHBondContact O-CG 3.28Å; G198-Q213 PolarHBondContact O-N 2.82Å; Q213-I215 HydrophobicContact CB-CD1 4.23Å; Q213-I215 HydrophobicContact CB-CG1 3.92Å; Q213-G268 WeakPolarHBondContact CA-O 3.32Å; Q213-E269 HydrophobicContact CB-CG 4.23Å; Q213-E269 HydrophobicContact CG-CG 4Å; Q213-E269 PolarHBondContact NE2-OE1 2.82Å |
| 214 | Y | 78.6 | Confident | 71.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 96.8 | 172.4 | -59.7 | -71 | 0 | 0 | 0 | 108.5 | Y34 I121 F122 V217 S234 H267 G268 W270 | Y34-Y214 VanDerWaalsContact CE1-O 3.29Å; Y34-Y214 WeakPolarHBondContact CE1-O 3.13Å; Y34-Y214 VanDerWaalsContact CZ-O 3.28Å; Y34-Y214 PolarHBondContact OH-O 3.28Å; I121-Y214 HydrophobicContact CG1-CE1 4.13Å; I121-Y214 PolarHBondContact O-OH 3.43Å; I121-Y214 VanDerWaalsContact O-OH 3.1Å; F122-Y214 AromaticContact CD2-CE1 3.91Å; F122-Y214 HydrophobicContact CD2-CE1 3.91Å; F122-Y214 HydrophobicContact CE2-CE1 4.13Å; Y214-V217 HydrophobicContact CD1-CG2 4.04Å; Y214-V217 HydrophobicContact CG-CG2 4.46Å; Y214-S234 PolarHBondContact OH-OG 3.13Å; Y214-S234 VanDerWaalsContact OH-OG 3.06Å; Y214-H267 PolarHBondContact O-ND1 3.2Å; Y214-G268 PolarHBondContact N-O 2.75Å; Y214-G268 PolarHBondContact O-N 3.46Å; Y214-W270 AromaticContact CD2-CD1 3.81Å; Y214-W270 AromaticContact CD2-NE1 3.88Å; Y214-W270 AromaticContact CE2-CD1 3.57Å; Y214-W270 AromaticContact CE2-NE1 3.69Å |
| 215 | I | 74 | Confident | 69.3 | Low | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -35.2 | -164.2 | -56.3 | 176.5 | 0 | 0 | 0 | 111.8 | Y34 L180 T196 Q213 H267 | Y34-I215 HydrophobicContact CD1-CG1 3.93Å; Y34-I215 HydrophobicContact CD2-CB 4.16Å; Y34-I215 HydrophobicContact CD2-CG1 4.26Å; Y34-I215 HydrophobicContact CD2-CG2 3.75Å; Y34-I215 HydrophobicContact CE2-CG2 4.43Å; Y34-I215 HydrophobicContact CG-CB 4.17Å; Y34-I215 HydrophobicContact CG-CG1 3.74Å; Y34-I215 HydrophobicContact CG-CG2 4.05Å; L180-I215 HydrophobicContact CD1-CD1 3.63Å; T196-I215 HydrophobicContact CG2-CB 4.07Å; T196-I215 HydrophobicContact CG2-CD1 4.44Å; T196-I215 HydrophobicContact CG2-CG2 4.08Å; T196-I215 CarbonylContact O-C 3.57Å; T196-I215 WeakPolarHBondContact O-CA 3.36Å; T196-I215 WeakPolarHBondContact O-CB 3.49Å; T196-I215 PolarHBondContact O-N 3.17Å; Q213-I215 HydrophobicContact CB-CD1 4.23Å; Q213-I215 HydrophobicContact CB-CG1 3.92Å; I215-H267 PolarHBondContact O-CE1 3.34Å; I215-H267 PolarHBondContact O-ND1 2.68Å |
| 216 | Q | 75.1 | Confident | 67.8 | Low | 79 Ų | 79 | 50.1 Ų | 50.1 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 118.9 | 166 | 177.1 | 170.9 | -12.8 | 0 | 0 | 106.5 | N195 T196 E218 | N195-Q216 CarbonylContact C-O 3.54Å; N195-Q216 WeakPolarHBondContact CA-O 3.35Å; T196-Q216 PolarHBondContact N-O 3.22Å; T196-Q216 PolarHBondContact O-N 2.92Å; T196-Q216 VanDerWaalsContact O-O 3.08Å; Q216-E218 HydrophobicContact CG-CG 4.41Å; Q216-E218 PolarHBondContact NE2-OE1 2.68Å |
| 217 | V | 69.8 | Low | 66.6 | Low | 22 Ų | 22 | 45 Ų | 45 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | trans | -127.1 | 121 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 109 | F122 N195 Y214 A265 | F122-V217 HydrophobicContact CE1-CG1 4.29Å; F122-V217 HydrophobicContact CZ-CG1 3.96Å; N195-V217 WeakPolarHBondContact OD1-CA 3.04Å; Y214-V217 HydrophobicContact CD1-CG2 4.04Å; Y214-V217 HydrophobicContact CG-CG2 4.46Å; V217-A265 HydrophobicContact CG1-CB 4.34Å | ||
| 218 | E | 63.8 | Low | 65.5 | Low | 70 Ų | 70 | 44.6 Ų | 44.6 | 33% | 0.327 | 23% | 0.23 | S | C | . | . | trans | -119.3 | 85.4 | -175 | -69.4 | -177.6 | -175.6 | 0 | 0 | 109.2 | K193 A194 N195 Q216 N220 | K193-E218 WeakPolarHBondContact CA-OE2 3.32Å; K193-E218 HydrophobicContact CB-CB 3.79Å; K193-E218 HydrophobicContact CD-CB 4.17Å; K193-E218 HydrophobicContact CG-CB 4.01Å; A194-E218 PolarHBondContact N-OE2 3.25Å; N195-E218 PolarHBondContact OD1-N 2.71Å; Q216-E218 HydrophobicContact CG-CG 4.41Å; Q216-E218 PolarHBondContact NE2-OE1 2.68Å; E218-N220 PolarHBondContact O-N 2.8Å | ||
| 219 | W | 59 | Low | 64.1 | Low | 108 Ų | 108 | 44.7 Ų | 44.7 | 41% | 0.409 | 23% | 0.231 | S | C | . | . | trans | -54.3 | 131 | 176.7 | -68 | 114.6 | 0 | 0 | 0 | 112.3 | F122 V125 K193 P232 A265 | F122-W219 HydrophobicContact CE2-CH2 4.08Å; F122-W219 AromaticContact CZ-CH2 3.73Å; F122-W219 HydrophobicContact CZ-CH2 3.73Å; F122-W219 HydrophobicContact CZ-CZ2 4.22Å; F122-W219 AromaticContact CZ-CZ3 3.98Å; F122-W219 HydrophobicContact CZ-CZ3 3.98Å; V125-W219 HydrophobicContact CG1-CE3 4.46Å; V125-W219 HydrophobicContact CG2-CE3 4.36Å; V125-W219 HydrophobicContact CG2-CZ3 3.81Å; K193-W219 WeakPolarHBondContact CD-O 3.04Å; K193-W219 PolarHBondContact NZ-O 2.79Å; W219-P232 HydrophobicContact CH2-CG 3.5Å; W219-P232 HydrophobicContact CZ3-CG 3.77Å; W219-A265 HydrophobicContact CH2-CB 4.1Å; W219-A265 HydrophobicContact CZ2-CB 3.26Å | ||
| 220 | N | 50.4 | Low | 62.7 | Low | 31 Ų | 31 | 46.3 Ų | 46.3 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | trans | -97 | 125.2 | 163.8 | -177.2 | 42.5 | 0 | 0 | 0 | 109.2 | L189 K193 E218 N222 D223 | L189-N220 VanDerWaalsContact CD1-ND2 3.31Å; L189-N220 WeakPolarHBondContact CD1-ND2 3.39Å; K193-N220 HydrophobicContact CD-CB 4.3Å; E218-N220 PolarHBondContact O-N 2.8Å; N220-N222 PolarHBondContact O-N 2.85Å; N220-D223 WeakPolarHBondContact CB-OD1 3.38Å; N220-D223 PolarHBondContact ND2-OD1 3.05Å; N220-D223 PolarHBondContact O-N 2.87Å | ||
| 221 | E | 45.6 | Very low | 61.4 | Low | 176 Ų | 176 | 47.5 Ų | 47.5 | 82% | 0.822 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.1 | -173.1 | -66.3 | 171.1 | 141.4 | 0 | 0 | 112.1 | ||
| 222 | N | 44 | Very low | 60.2 | Low | 71 Ų | 71 | 48.1 Ų | 48.1 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -8.9 | -178.9 | -60.7 | 12 | 0 | 0 | 0 | 114.2 | L189 N220 V224 A225 E226 | L189-N222 HydrophobicContact CD1-CB 3.72Å; L189-N222 WeakPolarHBondContact CD1-ND2 3.47Å; N220-N222 PolarHBondContact O-N 2.85Å; N222-V224 PolarHBondContact O-N 2.69Å; N222-V224 VanDerWaalsContact O-N 3.17Å; N222-A225 WeakPolarHBondContact O-CA 3.49Å; N222-A225 WeakPolarHBondContact O-CB 3.39Å; N222-A225 PolarHBondContact O-N 3.44Å; N222-E226 PolarHBondContact O-N 3.41Å |
| 223 | D | 41.8 | Very low | 59.4 | Low | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67 | -22.4 | -169.9 | -72.1 | -1.1 | 0 | 0 | 0 | 113.6 | V125 N186 N220 A225 | V125-D223 WeakPolarHBondContact CG1-OD2 3.37Å; N186-D223 PolarHBondContact ND2-OD1 2.57Å; N186-D223 PolarHBondContact ND2-OD2 2.74Å; N220-D223 WeakPolarHBondContact CB-OD1 3.38Å; N220-D223 PolarHBondContact ND2-OD1 3.05Å; N220-D223 PolarHBondContact O-N 2.87Å; D223-A225 VanDerWaalsContact C-N 3.28Å |
| 224 | V | 43.7 | Very low | 59 | Low | 76 Ų | 76 | 48.7 Ų | 48.7 | 46% | 0.461 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.7 | -21.9 | 172.5 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | N222 | N222-V224 PolarHBondContact O-N 2.69Å; N222-V224 VanDerWaalsContact O-N 3.17Å |
| 225 | A | 46.1 | Very low | 58.9 | Low | 73 Ų | 73 | 48.7 Ų | 48.7 | 60% | 0.603 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -94.5 | -45.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | N222 D223 | N222-A225 WeakPolarHBondContact O-CA 3.49Å; N222-A225 WeakPolarHBondContact O-CB 3.39Å; N222-A225 PolarHBondContact O-N 3.44Å; D223-A225 VanDerWaalsContact C-N 3.28Å |
| 226 | E | 48.1 | Very low | 58.9 | Low | 101 Ų | 101 | 48.2 Ų | 48.2 | 47% | 0.472 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -82.8 | -43.9 | -169.1 | -68.4 | -175.7 | 172 | 0 | 0 | 114 | N222 L228 | N222-E226 PolarHBondContact O-N 3.41Å; E226-L228 VanDerWaalsContact C-N 3.3Å; E226-L228 PolarHBondContact O-N 2.84Å |
| 227 | N | 53 | Low | 59 | Low | 31 Ų | 31 | 44.5 Ų | 44.5 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -83.2 | -4.3 | -178.4 | -97.3 | 0.8 | 0 | 0 | 0 | 113.8 | V102 N103 D127 A229 | V102-N227 WeakPolarHBondContact CA-O 3.48Å; V102-N227 HydrophobicContact CG2-CB 4.49Å; N103-N227 PolarHBondContact N-O 2.71Å; D127-N227 PolarHBondContact OD2-ND2 2.78Å; N227-A229 HydrophobicContact CB-CB 4.1Å; N227-A229 PolarHBondContact O-N 3.01Å |
| 228 | L | 58 | Low | 59 | Low | 66 Ų | 66 | 44.2 Ų | 44.2 | 35% | 0.346 | 23% | 0.232 | S | C | . | . | trans | 47 | 36.8 | -169.1 | -69.6 | 152 | 0 | 0 | 0 | 111.7 | N103 T104 S105 I106 E226 | N103-L228 CarbonylContact C-O 3.49Å; N103-L228 WeakPolarHBondContact CA-O 3.36Å; N103-L228 PolarHBondContact N-O 2.04Å; T104-L228 PolarHBondContact N-O 2.04Å; T104-L228 VanDerWaalsContact N-O 3.08Å; S105-L228 WeakPolarHBondContact CB-O 3.2Å; S105-L228 PolarHBondContact N-O 2.83Å; S105-L228 PolarHBondContact OG-O 2.85Å; I106-L228 HydrophobicContact CD1-CB 4.5Å; I106-L228 HydrophobicContact CD1-CD1 3.8Å; I106-L228 HydrophobicContact CD1-CD2 4.17Å; I106-L228 HydrophobicContact CD1-CG 4.38Å; I106-L228 HydrophobicContact CG1-CD2 4.29Å; E226-L228 VanDerWaalsContact C-N 3.3Å; E226-L228 PolarHBondContact O-N 2.84Å | ||
| 229 | A | 60.7 | Low | 58.7 | Low | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -92.6 | 140.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P101 T104 N227 | P101-A229 HydrophobicContact CG-CB 4.23Å; T104-A229 WeakPolarHBondContact OG1-CA 3.45Å; N227-A229 HydrophobicContact CB-CB 4.1Å; N227-A229 PolarHBondContact O-N 3.01Å |
| 230 | L | 58.1 | Low | 57.9 | Low | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 157.6 | 167.9 | -79.3 | 162.9 | 0 | 0 | 0 | 110.7 | T104 N108 | T104-L230 WeakPolarHBondContact O-CD1 3.25Å; T104-L230 PolarHBondContact OG1-N 3.06Å; N108-L230 WeakPolarHBondContact OD1-CD1 3.22Å |
| 231 | P | 62 | Low | 57.8 | Low | 25 Ų | 25 | 51.8 Ų | 51.8 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -52.2 | 143.3 | -176.8 | -30.6 | 37.1 | 0 | 0 | 0 | 113.4 | ||
| 232 | P | 63.2 | Low | 57.8 | Low | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 148.1 | -165.9 | 17.2 | -28 | 0 | 0 | 0 | 114.2 | F122 S123 S124 V125 W219 | F122-P232 HydrophobicContact CE2-CG 4.43Å; S123-P232 WeakPolarHBondContact OG-CA 3.15Å; S124-P232 VanDerWaalsContact OG-CB 3.28Å; S124-P232 WeakPolarHBondContact OG-CB 3.25Å; S124-P232 WeakPolarHBondContact OG-CD 3.09Å; V125-P232 HydrophobicContact CG2-CG 4.46Å; W219-P232 HydrophobicContact CH2-CG 3.5Å; W219-P232 HydrophobicContact CZ3-CG 3.77Å |
| 233 | E | 69.5 | Low | 57.7 | Low | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | trans | -108.1 | 137.4 | 179.4 | -64.7 | -167.3 | 96 | 0 | 0 | 110.5 | Y100 R110 L111 S120 S123 F237 | Y100-E233 PolarHBondContact OH-OE2 2.72Å; R110-E233 WeakPolarHBondContact CD-OE1 3.38Å; L111-E233 HydrophobicContact CD1-CB 4.08Å; L111-E233 PolarHBondContact N-OE2 2.88Å; S120-E233 WeakPolarHBondContact CB-O 3.41Å; S120-E233 PolarHBondContact OG-O 2.8Å; S123-E233 PolarHBondContact OG-N 2.91Å; E233-F237 HydrophobicContact CB-CZ 3.94Å; E233-F237 WeakPolarHBondContact OE1-CE1 3.27Å | ||
| 234 | S | 73.9 | Confident | 58 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | trans | -137.6 | 149.5 | 176.7 | -165.6 | 0 | 0 | 0 | 0 | 108.2 | S120 I121 Y214 L246 | S120-S234 WeakPolarHBondContact O-CA 3.19Å; S120-S234 PolarHBondContact O-OG 3.25Å; I121-S234 WeakPolarHBondContact O-CB 3.11Å; I121-S234 PolarHBondContact O-OG 2.85Å; Y214-S234 PolarHBondContact OH-OG 3.13Å; Y214-S234 VanDerWaalsContact OH-OG 3.06Å; S234-L246 PolarHBondContact O-N 3.35Å; S234-L246 WeakPolarHBondContact OG-CD1 3.47Å | ||
| 235 | G | 76.1 | Confident | 58 | Low | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.3 | -152.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S120 | S120-G235 PolarHBondContact N-O 3.43Å; S120-G235 PolarHBondContact O-N 3.28Å |
| 236 | I | 75.3 | Confident | 57.9 | Low | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 120.7 | -171 | -53.9 | -175.7 | 0 | 0 | 0 | 109.5 | Y71 L119 M238 G243 Y244 V272 L274 | Y71-I236 HydrophobicContact CE2-CD1 4.18Å; Y71-I236 HydrophobicContact CE2-CG2 4.06Å; L119-I236 HydrophobicContact CD1-CB 4.33Å; L119-I236 HydrophobicContact CD1-CD1 4.35Å; L119-I236 HydrophobicContact CD1-CG1 3.88Å; L119-I236 HydrophobicContact CD1-CG2 4.02Å; L119-I236 HydrophobicContact CG-CG1 4.42Å; I236-M238 HydrophobicContact CG2-CE 4.08Å; I236-M238 HydrophobicContact CG2-CG 4.47Å; I236-G243 CarbonylContact O-C 3.48Å; I236-G243 WeakPolarHBondContact O-CA 3.32Å; I236-Y244 PolarHBondContact N-O 3.12Å; I236-Y244 PolarHBondContact O-N 3.01Å; I236-V272 HydrophobicContact CD1-CG1 3.65Å; I236-V272 HydrophobicContact CG1-CG1 4.26Å; I236-L274 HydrophobicContact CD1-CD2 3.67Å |
| 237 | F | 76.7 | Confident | 57.9 | Low | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.4 | -175.4 | -55.1 | -99.9 | 0 | 0 | 0 | 109.6 | L111 Q112 Y118 E233 Q245 | L111-F237 HydrophobicContact CB-CB 4.12Å; L111-F237 HydrophobicContact CB-CD1 3.42Å; L111-F237 VanDerWaalsContact CB-CD1 3.42Å; L111-F237 HydrophobicContact CB-CD2 3.97Å; L111-F237 HydrophobicContact CB-CE1 3.71Å; L111-F237 HydrophobicContact CB-CE2 4.27Å; L111-F237 HydrophobicContact CB-CG 3.56Å; L111-F237 HydrophobicContact CB-CZ 4.15Å; L111-F237 HydrophobicContact CD1-CD2 4.04Å; L111-F237 HydrophobicContact CD1-CE2 3.93Å; L111-F237 HydrophobicContact CD1-CG 4.5Å; L111-F237 HydrophobicContact CD1-CZ 4.25Å; Q112-F237 HydrophobicContact CB-CD1 4.38Å; Y118-F237 HydrophobicContact CD2-CB 4.17Å; Y118-F237 PolarHBondContact N-O 2.77Å; Y118-F237 PolarHBondContact O-N 2.84Å; E233-F237 HydrophobicContact CB-CZ 3.94Å; E233-F237 WeakPolarHBondContact OE1-CE1 3.27Å; F237-Q245 HydrophobicContact CE1-CG 3.6Å; F237-Q245 HydrophobicContact CZ-CG 3.87Å |
| 238 | M | 69.3 | Low | 56.9 | Low | 15 Ų | 15 | 45.3 Ų | 45.3 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159.5 | 178.6 | -65 | -170.2 | 179.7 | 0 | 0 | 110.2 | I70 Y71 L88 G116 R117 I236 L241 | I70-M238 HydrophobicContact CG2-CE 3.83Å; Y71-M238 HydrophobicContact CD2-CE 3.54Å; Y71-M238 HydrophobicContact CD2-SD 4.04Å; Y71-M238 HydrophobicContact CE2-CE 4.19Å; Y71-M238 HydrophobicContact CG-CE 4.06Å; Y71-M238 HydrophobicContact CG-SD 4.02Å; L88-M238 HydrophobicContact CD1-CE 4.42Å; G116-M238 WeakPolarHBondContact O-CA 3.01Å; R117-M238 HydrophobicContact CG-CG 4.39Å; I236-M238 HydrophobicContact CG2-CE 4.08Å; I236-M238 HydrophobicContact CG2-CG 4.47Å; M238-L241 CarbonylContact C-O 3.58Å; M238-L241 VanDerWaalsContact C-O 3.31Å; M238-L241 HydrophobicContact CB-CB 4.15Å; M238-L241 WeakPolarHBondContact CB-O 3.44Å; M238-L241 CarbonylContact O-C 3.06Å |
| 239 | R | 58.9 | Low | 55.7 | Low | 125 Ų | 125 | 44.5 Ų | 44.5 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -144.8 | 132.6 | 174.2 | -152.9 | 155.3 | 164.4 | 131.1 | 0.3 | 108.6 | Q112 D115 G116 | Q112-R239 PolarHBondContact O-NH1 3.29Å; D115-R239 WeakPolarHBondContact OD1-CD 3.43Å; D115-R239 WeakPolarHBondContact OD1-CG 3Å; D115-R239 IonicContact OD1-NE 2.88Å; D115-R239 PolarHBondContact OD1-NE 2.88Å; G116-R239 PolarHBondContact O-N 2.64Å |
| 240 | P | 42.1 | Very low | 54.5 | Low | 130 Ų | 130 | 49.9 Ų | 49.9 | 84% | 0.844 | 28% | 0.283 | S | S | * | . | S | Bend | cis | -77.5 | -0.4 | 7.5 | 32.8 | -37.6 | 0 | 0 | 0 | 116.2 | G242 | P240-G242 PolarHBondContact O-N 2.73Å; P240-G242 VanDerWaalsContact O-N 3.08Å |
| 241 | L | 48.6 | Very low | 53.1 | Low | 114 Ų | 114 | 54.8 Ų | 54.8 | 60% | 0.597 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -79.7 | 85 | 178.3 | -71.1 | 170.8 | 0 | 0 | 0 | 111.7 | M238 G243 | M238-L241 CarbonylContact C-O 3.58Å; M238-L241 VanDerWaalsContact C-O 3.31Å; M238-L241 HydrophobicContact CB-CB 4.15Å; M238-L241 WeakPolarHBondContact CB-O 3.44Å; M238-L241 CarbonylContact O-C 3.06Å; L241-G243 PolarHBondContact O-N 3.37Å |
| 242 | G | 45.4 | Very low | 51.5 | Low | 58 Ų | 58 | 58.2 Ų | 58.2 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | trans | -42.1 | 131.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P240 | P240-G242 PolarHBondContact O-N 2.73Å; P240-G242 VanDerWaalsContact O-N 3.08Å | ||
| 243 | G | 42.1 | Very low | 50.2 | Low | 29 Ų | 29 | 62.9 Ų | 62.9 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | trans | -63.4 | 143.9 | -164.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | I236 L241 | I236-G243 CarbonylContact O-C 3.48Å; I236-G243 WeakPolarHBondContact O-CA 3.32Å; L241-G243 PolarHBondContact O-N 3.37Å | ||
| 244 | Y | 46.9 | Very low | 48.2 | Very low | 117 Ų | 117 | 67.7 Ų | 67.7 | 46% | 0.459 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 97.7 | 172.2 | -59.7 | -74.8 | 0 | 0 | 0 | 109.8 | Y71 I236 | Y71-Y244 HydrophobicContact CE1-CE2 4.44Å; I236-Y244 PolarHBondContact N-O 3.12Å; I236-Y244 PolarHBondContact O-N 3.01Å |
| 245 | Q | 44.1 | Very low | 46 | Very low | 68 Ų | 68 | 72 Ų | 72 | 32% | 0.318 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 143.8 | 173.9 | -70.3 | 167.3 | -11.5 | 0 | 0 | 111.4 | F237 W258 | F237-Q245 HydrophobicContact CE1-CG 3.6Å; F237-Q245 HydrophobicContact CZ-CG 3.87Å; Q245-W258 VanDerWaalsContact CD-CZ3 3.5Å; Q245-W258 VanDerWaalsContact NE2-CH2 3.25Å; Q245-W258 VanDerWaalsContact NE2-CZ3 3.29Å |
| 246 | L | 44.8 | Very low | 43.6 | Very low | 9 Ų | 9 | 79.9 Ų | 79.9 | 5% | 0.047 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 140 | 156.4 | -74.7 | 166.6 | 0 | 0 | 0 | 108.7 | C12 M212 S234 I264 W270 | C12-L246 HydrophobicContact CB-CD2 3.58Å; C12-L246 VanDerWaalsContact SG-CD2 3.58Å; M212-L246 HydrophobicContact CE-CD1 4.47Å; M212-L246 HydrophobicContact SD-CD1 3.55Å; M212-L246 VanDerWaalsContact SD-CD1 3.55Å; S234-L246 PolarHBondContact O-N 3.35Å; S234-L246 WeakPolarHBondContact OG-CD1 3.47Å; L246-I264 HydrophobicContact CB-CD1 4.42Å; L246-I264 HydrophobicContact CB-CG1 4.2Å; L246-I264 WeakPolarHBondContact O-CD1 3.2Å; L246-W270 HydrophobicContact CD2-CE3 4Å; L246-W270 HydrophobicContact CD2-CZ3 4.4Å |
| 247 | P | 46.7 | Very low | 41.5 | Very low | 32 Ų | 32 | 86 Ų | 86 | 21% | 0.208 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 161.9 | -170.7 | 29.5 | -34.2 | 0 | 0 | 0 | 113.7 | T262 I264 | P247-T262 CarbonylContact C-O 3.57Å; P247-T262 WeakPolarHBondContact CG-OG1 2.9Å; P247-I264 WeakPolarHBondContact O-CB 3.34Å; P247-I264 WeakPolarHBondContact O-CG1 3.49Å; P247-I264 PolarHBondContact O-N 3.09Å |
| 248 | R | 33 | Very low | 39.3 | Very low | 95 Ų | 95 | 91 Ų | 91 | 36% | 0.358 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 149.7 | -162.5 | -124.4 | -170 | -63.2 | 156.8 | 1.1 | 115.5 | W258 T262 I264 | R248-W258 VanDerWaalsContact NH2-CE3 3.27Å; R248-T262 CarbonylContact C-O 3.5Å; R248-T262 PolarHBondContact N-O 2.69Å; R248-I264 HydrophobicContact CG-CD1 4.46Å |
| 249 | S | 33.1 | Very low | 37.3 | Very low | 49 Ų | 49 | 97.9 Ų | 97.9 | 34% | 0.343 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 139.8 | 175.8 | -157.5 | 0 | 0 | 0 | 0 | 113.5 | Q251 | S249-Q251 PolarHBondContact O-N 2.79Š|
| 250 | S | 34 | Very low | 35.9 | Very low | 117 Ų | 117 | 96.9 Ų | 96.9 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 51.9 | 22.3 | 143.7 | 66.3 | 0 | 0 | 0 | 0 | 121.9 | ||
| 251 | Q | 29.6 | Very low | 35.5 | Very low | 138 Ų | 138 | 98.7 Ų | 98.7 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | trans | -137.1 | 148.7 | 163.3 | -72.3 | -173.1 | -13.6 | 0 | 0 | 111.6 | S249 | S249-Q251 PolarHBondContact O-N 2.79Š| ||
| 252 | A | 27.8 | Very low | 34.8 | Very low | 97 Ų | 97 | 97.1 Ų | 97.1 | 80% | 0.802 | 54% | 0.543 | S | S | * | . | trans | -107 | 140.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 253 | V | 35.8 | Very low | 34.5 | Very low | 111 Ų | 111 | 95.7 Ų | 95.7 | 67% | 0.673 | 52% | 0.522 | S | S | * | . | trans | -173.1 | 136.6 | 146.7 | 135.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 254 | E | 27.7 | Very low | 34.8 | Very low | 112 Ų | 112 | 94.7 Ų | 94.7 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | trans | 38.1 | 144 | 163.1 | -69.1 | 173.5 | -162.1 | 0 | 0 | 123.9 | L564 | E254-L564 HydrophobicContact CG-CD2 4.05Š| ||
| 255 | P | 27.1 | Very low | 35.1 | Very low | 92 Ų | 92 | 89.4 Ų | 89.4 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | trans | -122.1 | 3.3 | -154.3 | 23.8 | 0.9 | 0 | 0 | 0 | 116 | I257 | P255-I257 CarbonylContact C-O 3.55Å; P255-I257 PolarHBondContact O-N 3.35Å | ||
| 256 | N | 26.6 | Very low | 35.6 | Very low | 166 Ų | 166 | 89.6 Ų | 89.6 | 89% | 0.888 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -77.6 | -6.6 | -175.7 | -70.8 | -10.9 | 0 | 0 | 0 | 113.4 | ||
| 257 | I | 31.2 | Very low | 36.2 | Very low | 132 Ų | 132 | 93.3 Ų | 93.3 | 68% | 0.677 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -142.6 | 165.8 | 166.3 | -49.8 | 177.3 | 0 | 0 | 0 | 104.8 | P255 | P255-I257 CarbonylContact C-O 3.55Å; P255-I257 PolarHBondContact O-N 3.35Å |
| 258 | W | 31.2 | Very low | 37.2 | Very low | 104 Ų | 104 | 91.8 Ų | 91.8 | 39% | 0.394 | 50% | 0.5 | S | S | . | . | trans | 76.5 | 125.5 | 179.5 | -50.3 | 80 | 0 | 0 | 0 | 114.4 | R110 Q245 R248 | R110-W258 HydrophobicContact CG-CH2 4.35Å; R110-W258 HydrophobicContact CG-CZ2 4.25Å; R110-W258 VanDerWaalsContact NE-CH2 3.31Å; Q245-W258 VanDerWaalsContact CD-CZ3 3.5Å; Q245-W258 VanDerWaalsContact NE2-CH2 3.25Å; Q245-W258 VanDerWaalsContact NE2-CZ3 3.29Å; R248-W258 VanDerWaalsContact NH2-CE3 3.27Å | ||
| 259 | L | 25.9 | Very low | 39.1 | Very low | 161 Ų | 161 | 87.3 Ų | 87.3 | 84% | 0.843 | 48% | 0.483 | S | S | * | . | trans | -134.4 | 140.5 | -173.8 | -69.1 | 168.8 | 0 | 0 | 0 | 111.7 | ||||
| 260 | T | 30.6 | Very low | 41.1 | Very low | 104 Ų | 104 | 85.6 Ų | 85.6 | 64% | 0.638 | 47% | 0.469 | S | S | * | . | trans | 62.5 | 123 | 169.5 | 59.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 261 | E | 32.8 | Very low | 43.2 | Very low | 168 Ų | 168 | 80 Ų | 80 | 79% | 0.785 | 43% | 0.43 | S | S | * | . | trans | -91.1 | 152.4 | -175.3 | -49.8 | 90.3 | 159.7 | 0 | 0 | 115 | ||||
| 262 | T | 33.9 | Very low | 45.5 | Very low | 81 Ų | 81 | 73.8 Ų | 73.8 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | trans | 175 | -171.9 | 159.6 | 15.8 | 0 | 0 | 0 | 0 | 108.2 | P247 R248 | P247-T262 CarbonylContact C-O 3.57Å; P247-T262 WeakPolarHBondContact CG-OG1 2.9Å; R248-T262 CarbonylContact C-O 3.5Å; R248-T262 PolarHBondContact N-O 2.69Å | ||
| 263 | N | 39.4 | Very low | 48.1 | Very low | 28 Ų | 28 | 69.4 Ų | 69.4 | 15% | 0.15 | 37% | 0.365 | C | S | . | . | trans | -115.2 | 93.6 | -142.8 | 56.1 | -64.1 | 0 | 0 | 0 | 119.1 | Y14 L266 W270 | Y14-N263 VanDerWaalsContact CE1-ND2 3.35Å; Y14-N263 WeakPolarHBondContact CE1-ND2 3.13Å; N263-L266 HydrophobicContact CB-CB 4.3Å; N263-L266 HydrophobicContact CB-CD1 4.06Å; N263-L266 VanDerWaalsContact ND2-CB 3.29Å; N263-L266 WeakPolarHBondContact ND2-CB 3.24Å; N263-L266 WeakPolarHBondContact ND2-CD1 3.15Å; N263-W270 WeakPolarHBondContact O-CZ2 3.38Å | ||
| 264 | I | 49.4 | Very low | 50.5 | Low | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 152.5 | 159.7 | -89.1 | 163.8 | 0 | 0 | 0 | 112.8 | F122 L246 P247 R248 L266 | F122-I264 HydrophobicContact CE2-CG2 4.28Å; L246-I264 HydrophobicContact CB-CD1 4.42Å; L246-I264 HydrophobicContact CB-CG1 4.2Å; L246-I264 WeakPolarHBondContact O-CD1 3.2Å; P247-I264 WeakPolarHBondContact O-CB 3.34Å; P247-I264 WeakPolarHBondContact O-CG1 3.49Å; P247-I264 PolarHBondContact O-N 3.09Å; R248-I264 HydrophobicContact CG-CD1 4.46Å; I264-L266 PolarHBondContact O-N 3.11Å |
| 265 | A | 52.6 | Low | 52.8 | Low | 6 Ų | 6 | 60.1 Ų | 60.1 | 5% | 0.05 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -9.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | F122 V217 W219 H267 | F122-A265 HydrophobicContact CE2-CB 3.84Å; F122-A265 HydrophobicContact CZ-CB 4.11Å; V217-A265 HydrophobicContact CG1-CB 4.34Å; W219-A265 HydrophobicContact CH2-CB 4.1Å; W219-A265 HydrophobicContact CZ2-CB 3.26Å; A265-H267 PolarHBondContact O-N 3.2Å |
| 266 | L | 53.7 | Low | 54.8 | Low | 72 Ų | 72 | 62.3 Ų | 62.3 | 38% | 0.377 | 31% | 0.313 | S | S | . | . | trans | -65.7 | 123.6 | -179.8 | -137.7 | 172.9 | 0 | 0 | 0 | 109.4 | Y14 L17 N263 I264 G268 | Y14-L266 PolarHBondContact OH-O 2.04Å; L17-L266 HydrophobicContact CD1-CD1 4.28Å; L17-L266 HydrophobicContact CD1-CD2 4.32Å; N263-L266 HydrophobicContact CB-CB 4.3Å; N263-L266 HydrophobicContact CB-CD1 4.06Å; N263-L266 VanDerWaalsContact ND2-CB 3.29Å; N263-L266 WeakPolarHBondContact ND2-CB 3.24Å; N263-L266 WeakPolarHBondContact ND2-CD1 3.15Å; I264-L266 PolarHBondContact O-N 3.11Å; L266-G268 PolarHBondContact O-N 2.89Å | ||
| 267 | H | 58.2 | Low | 56.6 | Low | 86 Ų | 86 | 54.5 Ų | 54.5 | 40% | 0.398 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -38.3 | 109.7 | -179.1 | -110.1 | -79 | 0 | 0 | 0 | 112.2 | Y14 Y34 Y214 I215 A265 | Y14-H267 PolarHBondContact OH-O 2.88Å; Y34-H267 AromaticContact CZ-ND1 3.79Å; Y34-H267 PolarHBondContact OH-ND1 2.81Å; Y34-H267 VanDerWaalsContact OH-ND1 3.08Å; Y214-H267 PolarHBondContact O-ND1 3.2Å; I215-H267 PolarHBondContact O-CE1 3.34Å; I215-H267 PolarHBondContact O-ND1 2.68Å; A265-H267 PolarHBondContact O-N 3.2Å |
| 268 | G | 68.4 | Low | 57.9 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.9 | -170.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y34 Q213 Y214 L266 | Y34-G268 PolarHBondContact OH-N 2.67Å; Q213-G268 WeakPolarHBondContact CA-O 3.32Å; Y214-G268 PolarHBondContact N-O 2.75Å; Y214-G268 PolarHBondContact O-N 3.46Å; L266-G268 PolarHBondContact O-N 2.89Å |
| 269 | E | 71.3 | Confident | 59.2 | Low | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136 | -179.3 | -70.4 | 178.1 | 168.5 | 0 | 0 | 110.7 | Y14 I15 I16 Y34 R156 M212 Q213 | Y14-E269 WeakPolarHBondContact CD2-O 3.3Å; I15-E269 PolarHBondContact N-O 2.78Å; I16-E269 HydrophobicContact CD1-CB 4.09Å; I16-E269 HydrophobicContact CD1-CG 3.56Å; I16-E269 HydrophobicContact CG1-CB 4.11Å; I16-E269 HydrophobicContact CG1-CG 4.13Å; Y34-E269 HydrophobicContact CD1-CG 4.06Å; Y34-E269 HydrophobicContact CE1-CG 4.39Å; R156-E269 IonicContact CZ-OE2 3.72Å; R156-E269 IonicContact NH2-OE1 3.55Å; R156-E269 PolarHBondContact NH2-OE1 2.66Å; R156-E269 IonicContact NH2-OE2 2.79Å; R156-E269 PolarHBondContact NH2-OE2 2.71Å; M212-E269 WeakPolarHBondContact O-CA 3.44Å; Q213-E269 HydrophobicContact CB-CG 4.23Å; Q213-E269 HydrophobicContact CG-CG 4Å; Q213-E269 PolarHBondContact NE2-OE1 2.82Å |
| 270 | W | 75 | Confident | 60.4 | Low | 14 Ų | 14 | 47.6 Ų | 47.6 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135.5 | 178.2 | -67 | 81.3 | 0 | 0 | 0 | 109.7 | I13 Y14 F211 M212 Y214 L246 N263 | I13-W270 CarbonylContact O-C 3.5Å; I13-W270 WeakPolarHBondContact O-CA 3.46Å; Y14-W270 HydrophobicContact CD1-CH2 4.29Å; Y14-W270 HydrophobicContact CD1-CZ2 4.03Å; Y14-W270 AromaticContact CD2-CD1 3.89Å; Y14-W270 AromaticContact CD2-CD2 3.7Å; Y14-W270 HydrophobicContact CD2-CD2 3.7Å; Y14-W270 AromaticContact CD2-CE2 3.25Å; Y14-W270 HydrophobicContact CD2-CE3 4.35Å; Y14-W270 HydrophobicContact CD2-CG 4.07Å; Y14-W270 HydrophobicContact CD2-CH2 4.21Å; Y14-W270 AromaticContact CD2-CZ2 3.52Å; Y14-W270 HydrophobicContact CD2-CZ2 3.52Å; Y14-W270 AromaticContact CD2-NE1 3.39Å; Y14-W270 HydrophobicContact CE1-CZ2 4.37Å; Y14-W270 HydrophobicContact CE2-CD2 4.49Å; Y14-W270 AromaticContact CE2-CE2 3.68Å; Y14-W270 AromaticContact CE2-CZ2 3.92Å; Y14-W270 HydrophobicContact CE2-CZ2 3.92Å; Y14-W270 AromaticContact CE2-NE1 3.41Å; Y14-W270 HydrophobicContact CG-CD2 4.19Å; Y14-W270 AromaticContact CG-CE2 3.78Å; Y14-W270 HydrophobicContact CG-CE3 4.4Å; Y14-W270 AromaticContact CG-CH2 3.87Å; Y14-W270 HydrophobicContact CG-CH2 3.87Å; Y14-W270 AromaticContact CG-CZ2 3.59Å; Y14-W270 HydrophobicContact CG-CZ2 3.59Å; Y14-W270 HydrophobicContact CG-CZ3 4.27Å; F211-W270 CarbonylContact C-O 3.44Å; F211-W270 VanDerWaalsContact CA-O 3.23Å; F211-W270 WeakPolarHBondContact CA-O 3.5Å; M212-W270 HydrophobicContact CB-CB 4.34Å; M212-W270 PolarHBondContact N-O 3.4Å; M212-W270 PolarHBondContact O-N 2.97Å; Y214-W270 AromaticContact CD2-CD1 3.81Å; Y214-W270 AromaticContact CD2-NE1 3.88Å; Y214-W270 AromaticContact CE2-CD1 3.57Å; Y214-W270 AromaticContact CE2-NE1 3.69Å; L246-W270 HydrophobicContact CD2-CE3 4Å; L246-W270 HydrophobicContact CD2-CZ3 4.4Å; N263-W270 WeakPolarHBondContact O-CZ2 3.38Å |
| 271 | L | 79.4 | Confident | 61.6 | Low | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.9 | 176.2 | 173.1 | 58.3 | 0 | 0 | 0 | 110.3 | I13 I15 I161 Y165 Y209 F211 | I13-L271 PolarHBondContact N-O 2.79Å; I13-L271 PolarHBondContact O-N 2.81Å; I15-L271 HydrophobicContact CD1-CB 3.84Å; I15-L271 HydrophobicContact CD1-CD2 4.48Å; I161-L271 HydrophobicContact CG1-CD1 4.11Å; I161-L271 HydrophobicContact CG1-CD2 4.13Å; Y165-L271 HydrophobicContact CE2-CD2 3.89Å; Y165-L271 HydrophobicContact CE2-CG 4.02Å; Y209-L271 HydrophobicContact CD1-CD1 4.39Å; F211-L271 HydrophobicContact CD1-CB 4.12Å; F211-L271 HydrophobicContact CD1-CD1 4.26Å; F211-L271 HydrophobicContact CD2-CD1 4.21Å; F211-L271 HydrophobicContact CE1-CB 3.91Å; F211-L271 HydrophobicContact CE1-CD1 3.94Å; F211-L271 HydrophobicContact CE1-CD2 4.16Å; F211-L271 HydrophobicContact CE1-CG 4.22Å; F211-L271 HydrophobicContact CE2-CD1 3.89Å; F211-L271 HydrophobicContact CG-CD1 4.39Å; F211-L271 HydrophobicContact CZ-CD1 3.76Å; F211-L271 HydrophobicContact CZ-CD2 4.11Å; F211-L271 HydrophobicContact CZ-CG 4.35Å |
| 272 | V | 77.9 | Confident | 62.6 | Low | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134.3 | -178.5 | -167.6 | 0 | 0 | 0 | 0 | 110.1 | C12 A210 I236 | C12-V272 HydrophobicContact CB-CG2 4.33Å; A210-V272 PolarHBondContact N-O 2.97Å; A210-V272 PolarHBondContact O-N 3.4Å; I236-V272 HydrophobicContact CD1-CG1 3.65Å; I236-V272 HydrophobicContact CG1-CG1 4.26Å |
| 273 | P | 82.6 | Confident | 63.5 | Low | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 139.9 | 176.2 | 32.9 | -28.7 | 0 | 0 | 0 | 110.8 | Y165 Y209 Y275 | Y165-P273 HydrophobicContact CE1-CB 4.47Å; Y165-P273 HydrophobicContact CE1-CG 4.12Å; Y165-P273 WeakPolarHBondContact OH-CD 3.3Å; Y209-P273 HydrophobicContact CD1-CB 4.23Å; Y209-P273 HydrophobicContact CE1-CB 4.09Å; P273-Y275 VanDerWaalsContact C-N 3.25Å; P273-Y275 HydrophobicContact CB-CD1 3.92Å; P273-Y275 HydrophobicContact CB-CE1 3.54Å; P273-Y275 PolarHBondContact O-N 3.35Å |
| 274 | L | 85.5 | Confident | 64.2 | Low | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -94.6 | 37.8 | -179.4 | -53.8 | -174.9 | 0 | 0 | 0 | 112.7 | I70 Y71 L119 I201 S208 A210 I236 | I70-L274 HydrophobicContact CD1-CD1 3.96Å; I70-L274 HydrophobicContact CG1-CB 4.26Å; I70-L274 HydrophobicContact CG1-CD1 4.04Å; I70-L274 HydrophobicContact CG2-CB 4.27Å; Y71-L274 VanDerWaalsContact CD2-C 3.49Å; Y71-L274 VanDerWaalsContact CD2-O 3.28Å; Y71-L274 WeakPolarHBondContact CD2-O 3.46Å; Y71-L274 PolarHBondContact N-O 2.83Å; L119-L274 HydrophobicContact CD1-CD2 4.15Å; L119-L274 HydrophobicContact CD2-CD1 4.47Å; L119-L274 HydrophobicContact CD2-CD2 3.98Å; I201-L274 HydrophobicContact CG2-CD1 3.95Å; S208-L274 WeakPolarHBondContact O-CB 3.18Å; S208-L274 PolarHBondContact O-N 2.75Å; A210-L274 HydrophobicContact CB-CD1 4.3Å; A210-L274 HydrophobicContact CB-CD2 3.87Å; A210-L274 HydrophobicContact CB-CG 4.3Å; I236-L274 HydrophobicContact CD1-CD2 3.67Å |
| 275 | Y | 76.8 | Confident | 64.2 | Low | 26 Ų | 26 | 46.8 Ų | 46.8 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -160.6 | 166.9 | 179.4 | 66.3 | -76.1 | 0 | 0 | 0 | 109.4 | Y71 Y209 P273 S277 | Y71-Y275 VanDerWaalsContact CE1-C 3.47Å; Y209-Y275 AromaticContact CE1-CE1 3.63Å; Y209-Y275 HydrophobicContact CE1-CE1 3.63Å; Y209-Y275 HydrophobicContact CE2-CE1 4.49Å; Y209-Y275 AromaticContact CZ-CE1 3.56Å; Y209-Y275 WeakPolarHBondContact OH-CE1 3.39Å; Y209-Y275 VanDerWaalsContact OH-CZ 3.3Å; Y209-Y275 PolarHBondContact OH-OH 3.09Å; P273-Y275 VanDerWaalsContact C-N 3.25Å; P273-Y275 HydrophobicContact CB-CD1 3.92Å; P273-Y275 HydrophobicContact CB-CE1 3.54Å; P273-Y275 PolarHBondContact O-N 3.35Å; Y275-S277 PolarHBondContact O-N 3.36Å |
| 276 | K | 68.1 | Low | 64.1 | Low | 137 Ų | 137 | 53.9 Ų | 53.9 | 60% | 0.596 | 28% | 0.275 | S | S | * | . | trans | -71.8 | 95.2 | 173.2 | -170.2 | -170.8 | 171.4 | -140.1 | 0 | 110.2 | Y71 E278 | Y71-K276 HydrophobicContact CE1-CB 4.48Å; K276-E278 WeakPolarHBondContact CE-OE1 3.16Å; K276-E278 IonicContact NZ-OE1 3.87Å; K276-E278 PolarHBondContact NZ-OE1 2.91Å | ||
| 277 | S | 65.4 | Low | 64.5 | Low | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | trans | -89.1 | 132.8 | 173.8 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | H11 Y275 | H11-S277 PolarHBondContact CD2-O 3.32Å; H11-S277 VanDerWaalsContact CD2-O 3.28Å; H11-S277 PolarHBondContact NE2-O 3.41Å; Y275-S277 PolarHBondContact O-N 3.36Å | ||
| 278 | E | 58.5 | Low | 64.4 | Low | 122 Ų | 122 | 49.9 Ų | 49.9 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | trans | -104.6 | -13.6 | 177.9 | -59.2 | -170.3 | 157.7 | 0 | 0 | 112.8 | K276 | K276-E278 WeakPolarHBondContact CE-OE1 3.16Å; K276-E278 IonicContact NZ-OE1 3.87Å; K276-E278 PolarHBondContact NZ-OE1 2.91Å | ||
| 279 | N | 56.9 | Low | 63.8 | Low | 77 Ų | 77 | 50.7 Ų | 50.7 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | trans | -124.5 | 83.8 | -170.3 | -60.5 | -77.4 | 0 | 0 | 0 | 113.8 | I166 E167 | I166-N279 HydrophobicContact CB-CB 4.49Å; I166-N279 PolarHBondContact N-O 2.87Å; E167-N279 HydrophobicContact CG-CB 4.35Å; E167-N279 PolarHBondContact OE1-ND2 3.34Å | ||
| 280 | I | 52.3 | Low | 63.4 | Low | 53 Ų | 53 | 53.1 Ų | 53.1 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -75.3 | 132.3 | 167.7 | -50.8 | 172.2 | 0 | 0 | 0 | 109.1 | T10 I13 Y165 | T10-I280 WeakPolarHBondContact O-CD1 3.18Å; I13-I280 HydrophobicContact CD1-CG2 4.23Å; Y165-I280 HydrophobicContact CE1-CG1 4.35Å |
| 281 | A | 56.5 | Low | 63 | Low | 21 Ų | 21 | 52.9 Ų | 52.9 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | trans | -69.6 | 149.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L163 S164 I166 I283 | L163-A281 WeakPolarHBondContact O-CB 3.3Å; S164-A281 WeakPolarHBondContact O-CB 3.39Å; S164-A281 PolarHBondContact O-N 2.9Å; I166-A281 HydrophobicContact CG1-CB 3.8Å; A281-I283 HydrophobicContact CB-CG1 4.38Å; A281-I283 PolarHBondContact O-N 2.74Å | ||
| 282 | T | 53.5 | Low | 62.1 | Low | 149 Ų | 149 | 53.1 Ų | 53.1 | 91% | 0.914 | 29% | 0.285 | S | S | * | . | trans | -74.1 | 75.2 | 167.7 | 32 | 0 | 0 | 0 | 0 | 110.4 | N284 | T282-N284 PolarHBondContact O-N 2.88Š| ||
| 283 | I | 52.4 | Low | 61.4 | Low | 46 Ų | 46 | 54.7 Ų | 54.7 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | trans | -60.6 | 110.9 | -176.5 | -60.8 | 156.7 | 0 | 0 | 0 | 110.1 | I13 L163 A281 V285 L288 | I13-I283 HydrophobicContact CD1-CD1 3.51Å; I13-I283 HydrophobicContact CG1-CD1 3.9Å; I13-I283 HydrophobicContact CG2-CD1 3.96Å; L163-I283 WeakPolarHBondContact O-CG1 3.22Å; A281-I283 HydrophobicContact CB-CG1 4.38Å; A281-I283 PolarHBondContact O-N 2.74Å; I283-V285 PolarHBondContact O-N 3.01Å; I283-L288 HydrophobicContact CG2-CD1 3.71Å; I283-L288 HydrophobicContact CG2-CD2 4.33Å; I283-L288 HydrophobicContact CG2-CG 3.73Å | ||
| 284 | N | 53.8 | Low | 60.7 | Low | 82 Ų | 82 | 59.2 Ų | 59.2 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | trans | -69.7 | 113.9 | 163.6 | -178.6 | -5.5 | 0 | 0 | 0 | 108.3 | T282 K286 N287 | T282-N284 PolarHBondContact O-N 2.88Å; N284-K286 PolarHBondContact O-N 2.94Å; N284-K286 WeakPolarHBondContact OD1-CB 3.35Å; N284-K286 PolarHBondContact OD1-N 2.94Å; N284-N287 VanDerWaalsContact O-CB 3.3Å; N284-N287 WeakPolarHBondContact O-CB 3.23Å; N284-N287 PolarHBondContact O-N 2.9Å | ||
| 285 | V | 49.2 | Very low | 60 | Low | 73 Ų | 73 | 59.9 Ų | 59.9 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -45.9 | -36.9 | 176 | 167.2 | 0 | 0 | 0 | 0 | 112.6 | L18 I283 N287 L288 S289 | L18-V285 HydrophobicContact CB-CG1 4.23Å; L18-V285 HydrophobicContact CD1-CG1 4.18Å; L18-V285 HydrophobicContact CD1-CG2 4.12Å; L18-V285 HydrophobicContact CD2-CG1 3.86Å; L18-V285 HydrophobicContact CD2-CG2 4.33Å; L18-V285 HydrophobicContact CG-CG1 4.31Å; I283-V285 PolarHBondContact O-N 3.01Å; V285-N287 PolarHBondContact O-N 3.21Å; V285-L288 PolarHBondContact O-N 3.06Å; V285-S289 PolarHBondContact O-N 3.45Å |
| 286 | K | 51.4 | Low | 59.4 | Low | 155 Ų | 155 | 60.1 Ų | 60.1 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66 | -22.1 | 179 | -60.9 | -177.4 | 177.6 | -178.8 | 0 | 113.5 | N284 S289 A290 | N284-K286 PolarHBondContact O-N 2.94Å; N284-K286 WeakPolarHBondContact OD1-CB 3.35Å; N284-K286 PolarHBondContact OD1-N 2.94Å; K286-S289 PolarHBondContact O-OG 3.25Å; K286-A290 WeakPolarHBondContact O-CB 3.27Å; K286-A290 PolarHBondContact O-N 2.92Å |
| 287 | N | 61 | Low | 59.2 | Low | 72 Ų | 72 | 56.4 Ų | 56.4 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -76.2 | -40.2 | 175 | -64.2 | 3.5 | 0 | 0 | 0 | 111.1 | L163 N284 V285 A290 V291 | L163-N287 HydrophobicContact CD1-CB 4.31Å; L163-N287 HydrophobicContact CD2-CB 4.42Å; N284-N287 VanDerWaalsContact O-CB 3.3Å; N284-N287 WeakPolarHBondContact O-CB 3.23Å; N284-N287 PolarHBondContact O-N 2.9Å; V285-N287 PolarHBondContact O-N 3.21Å; N287-A290 PolarHBondContact O-N 3.25Å; N287-V291 WeakPolarHBondContact O-CG2 3.06Å; N287-V291 PolarHBondContact O-N 2.85Å |
| 288 | L | 57.5 | Low | 59.2 | Low | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 176.3 | -69.1 | 179.3 | 0 | 0 | 0 | 111.2 | L18 F160 I283 V285 V291 A292 | L18-L288 HydrophobicContact CD1-CD1 3.76Å; F160-L288 HydrophobicContact CD1-CD2 3.56Å; F160-L288 HydrophobicContact CE1-CD2 3.89Å; F160-L288 HydrophobicContact CG-CD2 4.47Å; I283-L288 HydrophobicContact CG2-CD1 3.71Å; I283-L288 HydrophobicContact CG2-CD2 4.33Å; I283-L288 HydrophobicContact CG2-CG 3.73Å; V285-L288 PolarHBondContact O-N 3.06Å; L288-V291 PolarHBondContact O-N 2.86Å; L288-A292 PolarHBondContact O-N 2.91Å; L288-A292 VanDerWaalsContact O-N 3.15Å |
| 289 | S | 53.9 | Low | 59.3 | Low | 17 Ų | 17 | 52.9 Ų | 52.9 | 12% | 0.119 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 177.3 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | L18 V285 K286 A292 S293 | L18-S289 WeakPolarHBondContact O-CB 3.35Å; V285-S289 PolarHBondContact O-N 3.45Å; K286-S289 PolarHBondContact O-OG 3.25Å; S289-A292 PolarHBondContact O-N 2.77Å; S289-S293 PolarHBondContact O-N 3.03Å; S289-S293 PolarHBondContact O-OG 2.82Å |
| 290 | A | 64 | Low | 59.6 | Low | 52 Ų | 52 | 52.4 Ų | 52.4 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K286 N287 A292 S293 E294 | K286-A290 WeakPolarHBondContact O-CB 3.27Å; K286-A290 PolarHBondContact O-N 2.92Å; N287-A290 PolarHBondContact O-N 3.25Å; A290-A292 VanDerWaalsContact C-N 3.3Å; A290-A292 PolarHBondContact O-N 2.87Å; A290-S293 PolarHBondContact O-N 2.89Å; A290-E294 WeakPolarHBondContact O-CB 3.33Å; A290-E294 PolarHBondContact O-N 2.89Å |
| 291 | V | 67 | Low | 60.3 | Low | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.6 | 164.3 | 0 | 0 | 0 | 0 | 111.8 | R156 K159 F160 L163 N287 L288 F295 | R156-V291 HydrophobicContact CG-CG1 4.17Å; K159-V291 HydrophobicContact CB-CG1 4.4Å; K159-V291 HydrophobicContact CD-CB 4.49Å; K159-V291 HydrophobicContact CD-CG1 4Å; K159-V291 HydrophobicContact CD-CG2 3.69Å; K159-V291 HydrophobicContact CG-CG1 4.28Å; K159-V291 HydrophobicContact CG-CG2 3.96Å; F160-V291 HydrophobicContact CD1-CB 4.47Å; F160-V291 HydrophobicContact CD1-CG1 3.94Å; F160-V291 HydrophobicContact CE1-CB 3.91Å; F160-V291 HydrophobicContact CE1-CG1 3.51Å; F160-V291 HydrophobicContact CZ-CG1 4.11Å; L163-V291 HydrophobicContact CD1-CG2 3.64Å; N287-V291 WeakPolarHBondContact O-CG2 3.06Å; N287-V291 PolarHBondContact O-N 2.85Å; L288-V291 PolarHBondContact O-N 2.86Å; V291-F295 VanDerWaalsContact O-CB 3.27Å; V291-F295 WeakPolarHBondContact O-CB 3.15Å; V291-F295 PolarHBondContact O-N 2.83Å |
| 292 | A | 60.6 | Low | 60.8 | Low | 6 Ų | 6 | 57.2 Ų | 57.2 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.5 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | I19 L288 S289 A290 F295 V296 | I19-A292 HydrophobicContact CB-CB 4.13Å; I19-A292 HydrophobicContact CD1-CB 3.41Å; I19-A292 VanDerWaalsContact CD1-CB 3.41Å; I19-A292 HydrophobicContact CG1-CB 3.54Å; I19-A292 HydrophobicContact CG2-CB 3.46Å; I19-A292 VanDerWaalsContact CG2-CB 3.46Å; L288-A292 PolarHBondContact O-N 2.91Å; L288-A292 VanDerWaalsContact O-N 3.15Å; S289-A292 PolarHBondContact O-N 2.77Å; A290-A292 VanDerWaalsContact C-N 3.3Å; A290-A292 PolarHBondContact O-N 2.87Å; A292-F295 PolarHBondContact O-N 2.58Å; A292-V296 WeakPolarHBondContact O-CG2 3.46Å; A292-V296 PolarHBondContact O-N 2.79Å |
| 293 | S | 62.1 | Low | 61.2 | Low | 38 Ų | 38 | 50.5 Ų | 50.5 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 173.1 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | S289 A290 V296 A297 | S289-S293 PolarHBondContact O-N 3.03Å; S289-S293 PolarHBondContact O-OG 2.82Å; A290-S293 PolarHBondContact O-N 2.89Å; S293-V296 PolarHBondContact O-N 2.95Å; S293-A297 VanDerWaalsContact O-CB 3.32Å; S293-A297 WeakPolarHBondContact O-CB 3.21Å; S293-A297 PolarHBondContact O-N 3.28Å |
| 294 | E | 69.2 | Low | 61.3 | Low | 101 Ų | 101 | 55.1 Ų | 55.1 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 173 | -179 | -170.7 | 172.3 | 0 | 0 | 111.1 | K159 A290 A297 S298 | K159-E294 IonicContact NZ-OE1 3.98Å; K159-E294 PolarHBondContact NZ-OE1 2.77Å; K159-E294 IonicContact NZ-OE2 3.43Å; K159-E294 PolarHBondContact NZ-OE2 3.38Å; A290-E294 WeakPolarHBondContact O-CB 3.33Å; A290-E294 PolarHBondContact O-N 2.89Å; E294-A297 PolarHBondContact O-N 2.78Å; E294-S298 WeakPolarHBondContact O-CB 3.31Å; E294-S298 PolarHBondContact O-N 2.82Å; E294-S298 PolarHBondContact O-OG 2.86Å |
| 295 | F | 69.4 | Low | 61.2 | Low | 17 Ų | 17 | 54.3 Ų | 54.3 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 174.7 | 169 | -105.7 | 0 | 0 | 0 | 112 | M152 Q153 R156 V291 A292 S298 L299 | M152-F295 HydrophobicContact CB-CD2 4.24Å; M152-F295 HydrophobicContact CB-CE2 3.83Å; Q153-F295 HydrophobicContact CG-CE2 4.03Å; Q153-F295 HydrophobicContact CG-CZ 3.64Å; R156-F295 HydrophobicContact CB-CD2 4.15Å; R156-F295 HydrophobicContact CB-CG 4.33Å; R156-F295 HydrophobicContact CG-CB 4.23Å; R156-F295 HydrophobicContact CG-CG 4.18Å; V291-F295 VanDerWaalsContact O-CB 3.27Å; V291-F295 WeakPolarHBondContact O-CB 3.15Å; V291-F295 PolarHBondContact O-N 2.83Å; A292-F295 PolarHBondContact O-N 2.58Å; F295-S298 WeakPolarHBondContact CA-OG 3.13Å; F295-S298 PolarHBondContact O-N 2.97Å; F295-S298 PolarHBondContact O-OG 2.83Å; F295-L299 HydrophobicContact CD1-CD1 4.47Å; F295-L299 HydrophobicContact CE1-CD1 3.64Å; F295-L299 HydrophobicContact CE2-CD1 3.94Å; F295-L299 HydrophobicContact CE2-CG 4.03Å; F295-L299 HydrophobicContact CZ-CD1 3.3Å; F295-L299 HydrophobicContact CZ-CG 3.91Å; F295-L299 WeakPolarHBondContact O-CB 3.14Å; F295-L299 PolarHBondContact O-N 2.92Å |
| 296 | V | 64.4 | Low | 60.9 | Low | 30 Ų | 30 | 53.2 Ų | 53.2 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 177 | 164.4 | 0 | 0 | 0 | 0 | 112.1 | L31 A292 S293 L299 A300 | L31-V296 HydrophobicContact CD1-CG1 3.81Å; L31-V296 HydrophobicContact CD1-CG2 4.36Å; A292-V296 WeakPolarHBondContact O-CG2 3.46Å; A292-V296 PolarHBondContact O-N 2.79Å; S293-V296 PolarHBondContact O-N 2.95Å; V296-L299 WeakPolarHBondContact O-CB 3.46Å; V296-L299 PolarHBondContact O-N 2.04Å; V296-A300 PolarHBondContact O-N 2.69Å |
| 297 | A | 64.1 | Low | 60.2 | Low | 60 Ų | 60 | 51.9 Ų | 51.9 | 50% | 0.496 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S293 E294 S301 | S293-A297 VanDerWaalsContact O-CB 3.32Å; S293-A297 WeakPolarHBondContact O-CB 3.21Å; S293-A297 PolarHBondContact O-N 3.28Å; E294-A297 PolarHBondContact O-N 2.78Å; A297-S301 WeakPolarHBondContact O-CB 3.4Å; A297-S301 PolarHBondContact O-N 2.87Å; A297-S301 PolarHBondContact O-OG 3.12Å |
| 298 | S | 65 | Low | 58.9 | Low | 29 Ų | 29 | 56 Ų | 56 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.5 | -38.8 | 175.6 | 58.2 | 0 | 0 | 0 | 0 | 111.5 | M152 E294 F295 A300 S301 I302 | M152-S298 VanDerWaalsContact CE-C 3.45Å; M152-S298 VanDerWaalsContact CE-CB 3.48Å; M152-S298 WeakPolarHBondContact CE-OG 3.31Å; E294-S298 WeakPolarHBondContact O-CB 3.31Å; E294-S298 PolarHBondContact O-N 2.82Å; E294-S298 PolarHBondContact O-OG 2.86Å; F295-S298 WeakPolarHBondContact CA-OG 3.13Å; F295-S298 PolarHBondContact O-N 2.97Å; F295-S298 PolarHBondContact O-OG 2.83Å; S298-A300 VanDerWaalsContact C-N 3.34Å; S298-A300 PolarHBondContact O-N 3.26Å; S298-S301 WeakPolarHBondContact CA-OG 3.24Å; S298-S301 PolarHBondContact O-N 2.85Å; S298-S301 VanDerWaalsContact O-N 3.13Å; S298-S301 PolarHBondContact O-OG 3.03Å; S298-I302 WeakPolarHBondContact O-CB 3.35Å; S298-I302 WeakPolarHBondContact O-CG1 3.5Å; S298-I302 PolarHBondContact O-N 2.9Å |
| 299 | L | 62.1 | Low | 57.6 | Low | 22 Ų | 22 | 60 Ų | 60 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -51.4 | -52.8 | 172.3 | -111.3 | 177 | 0 | 0 | 0 | 111.7 | L31 V149 F295 V296 S301 C303 | L31-L299 HydrophobicContact CD2-CD1 4.49Å; V149-L299 HydrophobicContact CB-CD2 4.25Å; V149-L299 HydrophobicContact CG1-CD2 4.14Å; V149-L299 HydrophobicContact CG2-CD2 3.85Å; F295-L299 HydrophobicContact CD1-CD1 4.47Å; F295-L299 HydrophobicContact CE1-CD1 3.64Å; F295-L299 HydrophobicContact CE2-CD1 3.94Å; F295-L299 HydrophobicContact CE2-CG 4.03Å; F295-L299 HydrophobicContact CZ-CD1 3.3Å; F295-L299 HydrophobicContact CZ-CG 3.91Å; F295-L299 WeakPolarHBondContact O-CB 3.14Å; F295-L299 PolarHBondContact O-N 2.92Å; V296-L299 WeakPolarHBondContact O-CB 3.46Å; V296-L299 PolarHBondContact O-N 2.04Å; L299-S301 PolarHBondContact O-N 3.39Å; L299-C303 HydrophobicContact CD2-CB 4.38Å; L299-C303 WeakPolarHBondContact O-CB 3.4Å; L299-C303 PolarHBondContact O-N 2.88Å; L299-C303 VanDerWaalsContact O-N 3.17Å |
| 300 | A | 62.9 | Low | 56.3 | Low | 67 Ų | 67 | 65.4 Ų | 65.4 | 55% | 0.554 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69.7 | -17.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | V296 S298 K304 | V296-A300 PolarHBondContact O-N 2.69Å; S298-A300 VanDerWaalsContact C-N 3.34Å; S298-A300 PolarHBondContact O-N 3.26Å; A300-K304 WeakPolarHBondContact O-CE 3.33Å; A300-K304 WeakPolarHBondContact O-CG 3.33Å |
| 301 | S | 65.5 | Low | 54.4 | Low | 66 Ų | 66 | 72.4 Ų | 72.4 | 46% | 0.462 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -102.8 | -38.4 | -178.6 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | A297 S298 L299 | A297-S301 WeakPolarHBondContact O-CB 3.4Å; A297-S301 PolarHBondContact O-N 2.87Å; A297-S301 PolarHBondContact O-OG 3.12Å; S298-S301 WeakPolarHBondContact CA-OG 3.24Å; S298-S301 PolarHBondContact O-N 2.85Å; S298-S301 VanDerWaalsContact O-N 3.13Å; S298-S301 PolarHBondContact O-OG 3.03Å; L299-S301 PolarHBondContact O-N 3.39Å |
| 302 | I | 67.7 | Low | 52.4 | Low | 109 Ų | 109 | 76.2 Ų | 76.2 | 56% | 0.559 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -85.7 | -49.6 | -177.4 | -58.2 | 178.4 | 0 | 0 | 0 | 111.1 | M152 S298 K304 | M152-I302 HydrophobicContact CE-CD1 4.01Å; M152-I302 HydrophobicContact SD-CB 4.12Å; M152-I302 HydrophobicContact SD-CD1 4.19Å; M152-I302 HydrophobicContact SD-CG2 4.2Å; S298-I302 WeakPolarHBondContact O-CB 3.35Å; S298-I302 WeakPolarHBondContact O-CG1 3.5Å; S298-I302 PolarHBondContact O-N 2.9Å; I302-K304 PolarHBondContact O-N 2.96Å |
| 303 | C | 62.7 | Low | 50.7 | Low | 8 Ų | 8 | 83.5 Ų | 83.5 | 5% | 0.054 | 48% | 0.481 | C | S | . | . | trans | -82.3 | 23.3 | -170.3 | -55.7 | 0 | 0 | 0 | 0 | 115 | C148 L299 G305 S306 | C148-C303 HydrophobicContact CB-CB 3.75Å; C148-C303 WeakPolarHBondContact CB-SG 3.5Å; C148-C303 WeakPolarHBondContact SG-CA 3.46Å; C148-C303 WeakPolarHBondContact SG-CB 3.49Å; C148-C303 CovalentContact SG-SG 2.04Å; C148-C303 PolarHBondContact SG-SG 3.42Å; L299-C303 HydrophobicContact CD2-CB 4.38Å; L299-C303 WeakPolarHBondContact O-CB 3.4Å; L299-C303 PolarHBondContact O-N 2.88Å; L299-C303 VanDerWaalsContact O-N 3.17Å; C303-G305 PolarHBondContact O-N 2.83Å; C303-S306 PolarHBondContact O-N 2.89Å; C303-S306 PolarHBondContact O-OG 2.89Å | ||
| 304 | K | 54.2 | Low | 48.9 | Very low | 143 Ų | 143 | 89.3 Ų | 89.3 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.1 | -175.2 | -76.2 | -178.7 | 171.9 | 172.2 | 0 | 115.5 | A300 I302 | A300-K304 WeakPolarHBondContact O-CE 3.33Å; A300-K304 WeakPolarHBondContact O-CG 3.33Å; I302-K304 PolarHBondContact O-N 2.96Å |
| 305 | G | 51 | Low | 46.8 | Very low | 65 Ų | 65 | 93.5 Ų | 93.5 | 67% | 0.67 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -39.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C303 | C303-G305 PolarHBondContact O-N 2.83Š|
| 306 | S | 43.3 | Very low | 44.6 | Very low | 50 Ų | 50 | 98.8 Ų | 98.8 | 35% | 0.35 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -82 | -22 | -170.7 | 46.4 | 0 | 0 | 0 | 0 | 114 | C303 H308 S309 | C303-S306 PolarHBondContact O-N 2.89Å; C303-S306 PolarHBondContact O-OG 2.89Å; S306-H308 PolarHBondContact O-N 2.62Å; S306-S309 PolarHBondContact O-OG 3.13Å |
| 307 | L | 36.6 | Very low | 42.6 | Very low | 127 Ų | 127 | 103.5 Ų | 103.5 | 67% | 0.665 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -74.1 | -11.5 | -179.6 | -136.7 | 75.7 | 0 | 0 | 0 | 114.1 | I323 | L307-I323 HydrophobicContact CD2-CD1 4.32Š|
| 308 | H | 34.8 | Very low | 40.6 | Very low | 157 Ų | 157 | 104.7 Ų | 104.7 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -102.4 | -11.2 | -173 | -89.5 | -64.2 | 0 | 0 | 0 | 115.3 | S306 L310 | S306-H308 PolarHBondContact O-N 2.62Å; H308-L310 PolarHBondContact O-N 2.91Å |
| 309 | S | 29.2 | Very low | 38.6 | Very low | 88 Ų | 88 | 111.3 Ų | 111.3 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -7 | -170.7 | 46.4 | 0 | 0 | 0 | 0 | 115.9 | S306 | S306-S309 PolarHBondContact O-OG 3.13Š|
| 310 | L | 26.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 115.3 Ų | 115.3 | 68% | 0.681 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 20.6 | -175 | -80.2 | 157.8 | 0 | 0 | 0 | 114.8 | H308 | H308-L310 PolarHBondContact O-N 2.91Š|
| 311 | K | 24.1 | Very low | 34.9 | Very low | 199 Ų | 199 | 117.3 Ų | 117.3 | 87% | 0.865 | 66% | 0.662 | S | S | * | * | trans | -98.4 | 65.9 | 171.1 | -77.4 | -165.1 | 173.9 | -173.7 | 0 | 112.4 | ||||
| 312 | S | 24.3 | Very low | 32.9 | Very low | 88 Ų | 88 | 119.4 Ų | 119.4 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | trans | -152 | 136.1 | 168.9 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 313 | N | 25.3 | Very low | 30.8 | Very low | 159 Ų | 159 | 118.6 Ų | 118.6 | 85% | 0.85 | 67% | 0.668 | S | S | * | * | trans | 76.4 | 136.5 | 170.9 | -55.3 | -14.2 | 0 | 0 | 0 | 116.6 | ||||
| 314 | N | 25.1 | Very low | 28.8 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | trans | -89.1 | 115.1 | 177.6 | -60.5 | -33.8 | 0 | 0 | 0 | 109.1 | ||||
| 315 | E | 25.2 | Very low | 27.3 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | trans | -154.3 | 168.6 | 153 | -111.7 | 143.4 | -143 | 0 | 0 | 108.5 | ||||
| 316 | T | 22.8 | Very low | 25.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -42.5 | 134.4 | -162.6 | 43.6 | 0 | 0 | 0 | 0 | 115.9 | S318 | T316-S318 PolarHBondContact O-N 3.12Š| ||
| 317 | P | 22.6 | Very low | 24.9 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 72% | 0.724 | S | S | * | * | trans | -69.9 | 125.9 | -179.7 | 29.9 | -34.4 | 0 | 0 | 0 | 111.5 | ||||
| 318 | S | 21.8 | Very low | 24.1 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | trans | -101.9 | 151.1 | 159.7 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | T316 T320 | T316-S318 PolarHBondContact O-N 3.12Å; S318-T320 PolarHBondContact O-N 2.92Å | ||
| 319 | D | 23.6 | Very low | 23.6 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 90% | 0.904 | 73% | 0.734 | S | S | * | * | trans | -76.8 | 36.2 | -170.6 | -67.6 | -69 | 0 | 0 | 0 | 115 | V321 | D319-V321 PolarHBondContact O-N 3.41Š| ||
| 320 | T | 22.8 | Very low | 23.3 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -74.4 | 90.2 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 112 | S318 V322 | S318-T320 PolarHBondContact O-N 2.92Å; T320-V322 PolarHBondContact O-N 2.75Å |
| 321 | V | 24.3 | Very low | 23 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | 40.7 | 64.9 | 157.6 | -164.7 | 0 | 0 | 0 | 0 | 114.8 | D319 I323 | D319-V321 PolarHBondContact O-N 3.41Å; V321-I323 PolarHBondContact O-N 3.33Å | ||
| 322 | V | 22.9 | Very low | 23 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | trans | -80.2 | 109.2 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | T320 K324 | T320-V322 PolarHBondContact O-N 2.75Å; V322-K324 VanDerWaalsContact C-N 3.29Å; V322-K324 HydrophobicContact CG1-CG 3.94Å; V322-K324 PolarHBondContact O-N 2.78Å | ||
| 323 | I | 22.9 | Very low | 23 | Very low | 93 Ų | 93 | 138 Ų | 138 | 48% | 0.477 | 76% | 0.764 | S | S | . | * | trans | -66.5 | 88.5 | 168.1 | -55 | 175.8 | 0 | 0 | 0 | 108.7 | L307 V321 N325 | L307-I323 HydrophobicContact CD2-CD1 4.32Å; V321-I323 PolarHBondContact O-N 3.33Å; I323-N325 PolarHBondContact O-N 3.01Å | ||
| 324 | K | 21.6 | Very low | 22.8 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | -73 | 98 | -179.6 | -79.2 | -177.5 | 179 | 168.2 | 0 | 110.7 | V322 V326 | V322-K324 VanDerWaalsContact C-N 3.29Å; V322-K324 HydrophobicContact CG1-CG 3.94Å; V322-K324 PolarHBondContact O-N 2.78Å; K324-V326 PolarHBondContact O-N 3.2Å; K324-V326 VanDerWaalsContact O-N 3.13Å | ||
| 325 | N | 22.3 | Very low | 22.8 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -77.3 | 91.7 | 175.3 | -165.2 | 33.7 | 0 | 0 | 0 | 110.6 | I323 | I323-N325 PolarHBondContact O-N 3.01Š| ||
| 326 | V | 21.4 | Very low | 22.7 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | trans | -90.6 | 102.6 | 179.4 | -178 | 0 | 0 | 0 | 0 | 109.9 | K324 T328 | K324-V326 PolarHBondContact O-N 3.2Å; K324-V326 VanDerWaalsContact O-N 3.13Å; V326-T328 PolarHBondContact O-N 3.19Å | ||
| 327 | N | 21.8 | Very low | 22.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | trans | -66.7 | 125.6 | 173.5 | -102.4 | 24.7 | 0 | 0 | 0 | 110.7 | E329 | N327-E329 PolarHBondContact O-N 3.12Š| ||
| 328 | T | 21.5 | Very low | 22.8 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -81.3 | 55 | -179.7 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | V326 | V326-T328 PolarHBondContact O-N 3.19Š| ||
| 329 | E | 22.6 | Very low | 23 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -136.3 | 78.6 | 178.1 | -71.3 | -169.5 | 165.3 | 0 | 0 | 112 | N327 | N327-E329 PolarHBondContact O-N 3.12Š| ||
| 330 | N | 22.7 | Very low | 23 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | -176.6 | 141.1 | 123.1 | -98 | -57.9 | 0 | 0 | 0 | 112.9 | |||||
| 331 | T | 22.2 | Very low | 23.1 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -89.5 | 107.1 | 172.8 | 49.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 332 | S | 23.4 | Very low | 23 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -157.4 | 139.9 | 166 | 55 | 0 | 0 | 0 | 0 | 111.3 | E334 | S332-E334 PolarHBondContact O-N 2.76Š| ||
| 333 | E | 23.6 | Very low | 23.2 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 94% | 0.935 | 75% | 0.748 | S | S | * | * | trans | -82.1 | 107.2 | -170.1 | -59.6 | 164.7 | 125.9 | 0 | 0 | 112.9 | ||||
| 334 | E | 22 | Very low | 23.1 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -170.6 | 107.6 | 148.8 | -112.2 | 176.7 | -179.7 | 0 | 0 | 108.4 | S332 | S332-E334 PolarHBondContact O-N 2.76Š| ||
| 335 | P | 24.7 | Very low | 23.3 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | -151.2 | 80.9 | 99 | 37.7 | -18.2 | 0 | 0 | 0 | 114.2 | |||||
| 336 | I | 23.2 | Very low | 23.3 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 64% | 0.641 | 77% | 0.771 | S | S | * | * | trans | -101.5 | 1.3 | 165.5 | -64.9 | 174.5 | 0 | 0 | 0 | 111.3 | R338 T339 | I336-R338 PolarHBondContact O-N 2.04Å; I336-T339 PolarHBondContact O-N 3.11Å; I336-T339 VanDerWaalsContact O-N 3.17Å | ||
| 337 | A | 23.6 | Very low | 23.4 | Very low | 83 Ų | 83 | 147.5 Ų | 147.5 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 7.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 338 | R | 23.9 | Very low | 23.4 | Very low | 241 Ų | 241 | 147.8 Ų | 147.8 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -12.3 | 169.4 | -85 | -168.9 | 173.4 | -164.7 | -1.7 | 114.7 | I336 | I336-R338 PolarHBondContact O-N 2.04Š|
| 339 | T | 25.4 | Very low | 23.4 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -101.3 | -7.8 | -169.1 | -26.3 | 0 | 0 | 0 | 0 | 114.7 | I336 | I336-T339 PolarHBondContact O-N 3.11Å; I336-T339 VanDerWaalsContact O-N 3.17Å |
| 340 | H | 25.3 | Very low | 23.4 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 52% | 0.523 | 77% | 0.772 | S | S | . | * | S | Bend | trans | -124.1 | -1.7 | -173.7 | -78.5 | -70.2 | 0 | 0 | 0 | 116.6 | F342 K343 | H340-F342 PolarHBondContact O-N 2.74Å; H340-K343 PolarHBondContact O-N 2.87Å; H340-K343 VanDerWaalsContact O-N 3.13Å |
| 341 | S | 24.2 | Very low | 23.5 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -19.5 | 172.7 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 342 | F | 22.1 | Very low | 23.4 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -5 | 173.7 | -143.9 | -93.9 | 0 | 0 | 0 | 114.5 | H340 | H340-F342 PolarHBondContact O-N 2.74Š|
| 343 | K | 26.1 | Very low | 23.3 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -104.2 | 8.7 | -179.9 | -141.6 | 175.3 | -172.8 | 175.6 | 0 | 114.3 | H340 | H340-K343 PolarHBondContact O-N 2.87Å; H340-K343 VanDerWaalsContact O-N 3.13Å |
| 344 | R | 22 | Very low | 23.2 | Very low | 219 Ų | 219 | 149 Ų | 149 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -115.2 | 23.2 | 180 | -144.1 | -179 | -158.2 | 164.8 | 9.1 | 114.2 | ||
| 345 | A | 26.1 | Very low | 23.3 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -143.2 | 25.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 346 | L | 21.9 | Very low | 23.1 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -97.8 | -27 | 152 | -146.1 | 86.9 | 0 | 0 | 0 | 110.9 | N348 | L346-N348 VanDerWaalsContact C-N 3.3Å; L346-N348 PolarHBondContact O-N 3.42Å |
| 347 | E | 22.7 | Very low | 23.1 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 84 | 167.5 | -69.4 | -177.6 | 167.5 | 0 | 0 | 110.3 | ||
| 348 | N | 22.4 | Very low | 23.3 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.5 | 63.6 | 142.4 | -64.5 | 2.4 | 0 | 0 | 0 | 114.1 | L346 E350 | L346-N348 VanDerWaalsContact C-N 3.3Å; L346-N348 PolarHBondContact O-N 3.42Å; N348-E350 HydrophobicContact CB-CB 4.26Å; N348-E350 PolarHBondContact O-N 3.02Å |
| 349 | L | 20.4 | Very low | 23.3 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | trans | -65.1 | 75.2 | 140.7 | -166.2 | 167.3 | 0 | 0 | 0 | 107.8 | ||||
| 350 | E | 24.2 | Very low | 23.5 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | -150 | 57 | -175.6 | -145.9 | 178.3 | -107.2 | 0 | 0 | 112.7 | N348 | N348-E350 HydrophobicContact CB-CB 4.26Å; N348-E350 PolarHBondContact O-N 3.02Å | ||
| 351 | N | 25 | Very low | 23.4 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | S | Bend | -175.2 | 114.2 | 119.2 | -99.4 | -70.4 | 0 | 0 | 0 | 113.9 | |||
| 352 | Y | 20.2 | Very low | 23.4 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | 63.6 | 114.4 | 137.5 | -88.6 | -106.6 | 0 | 0 | 0 | 122.6 | ||||
| 353 | D | 20.5 | Very low | 23.5 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | 82.6 | 140.9 | 130.6 | -73.5 | 7.9 | 0 | 0 | 0 | 123.9 | ||||
| 354 | L | 20.5 | Very low | 23.4 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -64.1 | 132.3 | -174.3 | -69.3 | 61.5 | 0 | 0 | 0 | 112.6 | ||||
| 355 | N | 25.6 | Very low | 23.4 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -151.3 | 112.7 | 150.8 | -86.6 | -70.7 | 0 | 0 | 0 | 109.3 | ||||
| 356 | V | 19.8 | Very low | 23.1 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -122.3 | 120.3 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 357 | S | 24.3 | Very low | 23.2 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | trans | -157.1 | 163.1 | -177.1 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 358 | T | 26.6 | Very low | 23.2 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 59.2 | 111.7 | 159.9 | 47.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 359 | N | 23.9 | Very low | 23.2 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | 60.6 | 92.5 | 68.8 | -61.8 | -9.8 | 0 | 0 | 0 | 113.5 | |||||
| 360 | D | 29.1 | Very low | 23.1 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | -168 | 129.4 | 129 | -92.8 | -19.8 | 0 | 0 | 0 | 107.1 | |||||
| 361 | Y | 24.4 | Very low | 22.9 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | 98 | 109.9 | 50.9 | -99.6 | -73.4 | 0 | 0 | 0 | 113.9 | |||||
| 362 | S | 24.3 | Very low | 22.8 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | 45.2 | 92.5 | 147.4 | 59.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 363 | N | 24 | Very low | 23 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | -163.9 | 138.6 | 114.1 | -82.3 | -41.5 | 0 | 0 | 0 | 107 | |||||
| 364 | G | 24.2 | Very low | 23 | Very low | 58 Ų | 58 | 134.8 Ų | 134.8 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | cis | 106.7 | 116.1 | 12.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 365 | I | 21.7 | Very low | 23 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 84% | 0.841 | 72% | 0.724 | S | S | * | * | trans | 70.2 | 119 | -157.9 | -53.4 | 166.5 | 0 | 0 | 0 | 109.8 | ||||
| 366 | T | 20 | Very low | 23.1 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | cis | -148.5 | 125.8 | -4.4 | 6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 367 | E | 22.5 | Very low | 23.3 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | 42.8 | 115.5 | 66.4 | -68.8 | -164.6 | 159.7 | 0 | 0 | 113.1 | |||||
| 368 | N | 23 | Very low | 23.1 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | 61.2 | 90.2 | 175.5 | -27.9 | -62.5 | 0 | 0 | 0 | 111.4 | ||||
| 369 | V | 22.6 | Very low | 23.3 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 89% | 0.891 | 69% | 0.694 | S | S | * | * | S | Bend | -132.8 | 146.3 | 77 | 143.2 | 0 | 0 | 0 | 0 | 111.9 | |||
| 370 | P | 19.7 | Very low | 23.3 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | -131.4 | 107.5 | -127.9 | 35.4 | -17.5 | 0 | 0 | 0 | 114.9 | A372 | P370-A372 WeakPolarHBondContact O-CB 3.45Å; P370-A372 PolarHBondContact O-N 3.19Å | |||
| 371 | K | 20.1 | Very low | 23.2 | Very low | 218 Ų | 218 | 127.2 Ų | 127.2 | 95% | 0.948 | 68% | 0.68 | S | S | * | * | S | Bend | 41.5 | 25.6 | 129.1 | -59 | -174.8 | 174.5 | -176.7 | 0 | 119.3 | |||
| 372 | A | 22.3 | Very low | 23.4 | Very low | 58 Ų | 58 | 125.3 Ų | 125.3 | 48% | 0.479 | 68% | 0.678 | S | S | . | * | trans | -159.3 | 162 | -176.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | P370 | P370-A372 WeakPolarHBondContact O-CB 3.45Å; P370-A372 PolarHBondContact O-N 3.19Å | ||
| 373 | A | 24 | Very low | 23.5 | Very low | 76 Ų | 76 | 127.2 Ų | 127.2 | 63% | 0.628 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 53.3 | 75 | -158.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N375 | A373-N375 WeakPolarHBondContact CA-O 3.5Å; A373-N375 PolarHBondContact N-O 2.91Å |
| 374 | W | 21.4 | Very low | 24 | Very low | 189 Ų | 189 | 124.1 Ų | 124.1 | 72% | 0.716 | 67% | 0.671 | S | S | * | * | S | Bend | cis | -132.4 | 139.1 | 24.7 | -52.8 | 71.7 | 0 | 0 | 0 | 110.5 | L377 | W374-L377 HydrophobicContact CE3-CB 4.31Å; W374-L377 HydrophobicContact CZ3-CB 4.44Å; W374-L377 HydrophobicContact CZ3-CD1 4.39Å; W374-L377 HydrophobicContact CZ3-CG 4.18Å |
| 375 | N | 20.5 | Very low | 24.2 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 37% | 0.369 | 66% | 0.663 | S | S | . | * | S | Bend | cis | 10.8 | 98.8 | -25.5 | -56.7 | -40.2 | 0 | 0 | 0 | 119.8 | A373 L377 R378 | A373-N375 WeakPolarHBondContact CA-O 3.5Å; A373-N375 PolarHBondContact N-O 2.91Å; N375-L377 CarbonylContact C-O 3.59Å; N375-L377 WeakPolarHBondContact CA-O 3.43Å; N375-R378 HydrophobicContact CB-CB 4.13Å; N375-R378 VanDerWaalsContact CG-NE 3.27Å; N375-R378 PolarHBondContact OD1-NE 3.5Å; N375-R378 PolarHBondContact OD1-NH2 2.61Å |
| 376 | I | 27.7 | Very low | 24.6 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 67% | 0.672 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 146.1 | 65.9 | 139.7 | -64.4 | 148.6 | 0 | 0 | 0 | 104.4 | R378 | I376-R378 WeakPolarHBondContact CA-O 3.32Š|
| 377 | L | 23.8 | Very low | 25.4 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 51% | 0.513 | 66% | 0.662 | S | S | . | * | S | Bend | cis | -67.4 | 154.1 | 20.3 | -52.6 | 172.1 | 0 | 0 | 0 | 116.4 | W374 N375 E380 | W374-L377 HydrophobicContact CE3-CB 4.31Å; W374-L377 HydrophobicContact CZ3-CB 4.44Å; W374-L377 HydrophobicContact CZ3-CD1 4.39Å; W374-L377 HydrophobicContact CZ3-CG 4.18Å; N375-L377 CarbonylContact C-O 3.59Å; N375-L377 WeakPolarHBondContact CA-O 3.43Å; L377-E380 HydrophobicContact CD2-CB 3.45Å; L377-E380 VanDerWaalsContact CD2-CB 3.45Å |
| 378 | R | 20.1 | Very low | 26.3 | Very low | 148 Ų | 148 | 119.8 Ų | 119.8 | 56% | 0.558 | 65% | 0.651 | S | S | * | * | S | Bend | 46.4 | 123.3 | -64.5 | -177.3 | -179.6 | -60.4 | -124.6 | -1.4 | 118.7 | N375 I376 | N375-R378 HydrophobicContact CB-CB 4.13Å; N375-R378 VanDerWaalsContact CG-NE 3.27Å; N375-R378 PolarHBondContact OD1-NE 3.5Å; N375-R378 PolarHBondContact OD1-NH2 2.61Å; I376-R378 WeakPolarHBondContact CA-O 3.32Å | |
| 379 | D | 29.6 | Very low | 27.2 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 74.5 | 22.2 | 162 | -50.7 | -15.2 | 0 | 0 | 0 | 117.2 | ||
| 380 | E | 25.1 | Very low | 28.4 | Very low | 152 Ų | 152 | 119.7 Ų | 119.7 | 71% | 0.71 | 64% | 0.638 | S | S | * | * | -120.5 | 140.4 | 125.8 | -119.4 | -164.3 | -135.3 | 0 | 0 | 105.9 | L377 | L377-E380 HydrophobicContact CD2-CB 3.45Å; L377-E380 VanDerWaalsContact CD2-CB 3.45Å | |||
| 381 | A | 25.8 | Very low | 29.1 | Very low | 66 Ų | 66 | 122 Ų | 122 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | cis | -142.9 | 131.9 | -11.8 | 0 | 0 | 0 | 0 | 0 | 107 | I383 | A381-I383 PolarHBondContact O-N 3.28Å; A381-I383 VanDerWaalsContact O-N 3.14Å | ||
| 382 | E | 29.8 | Very low | 29.8 | Very low | 164 Ų | 164 | 115.3 Ų | 115.3 | 77% | 0.766 | 62% | 0.615 | S | S | * | * | 62.1 | 21.4 | 80 | -55.9 | -166.6 | 139.3 | 0 | 0 | 115.5 | S384 | E382-S384 WeakPolarHBondContact CA-OG 3.14Å; E382-S384 PolarHBondContact N-OG 2.95Å; E382-S384 VanDerWaalsContact N-OG 3.09Å | |||
| 383 | I | 26.6 | Very low | 30.7 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 68% | 0.677 | 63% | 0.625 | S | S | * | * | trans | -166.1 | 106.7 | 133.6 | -90.8 | 141.4 | 0 | 0 | 0 | 107.6 | A381 G385 | A381-I383 PolarHBondContact O-N 3.28Å; A381-I383 VanDerWaalsContact O-N 3.14Å; I383-G385 WeakPolarHBondContact CG1-O 3.19Å | ||
| 384 | S | 33.4 | Very low | 31.4 | Very low | 103 Ų | 103 | 119 Ų | 119 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | cis | 55 | 72.8 | -14.4 | 75.6 | 0 | 0 | 0 | 0 | 118 | E382 | E382-S384 WeakPolarHBondContact CA-OG 3.14Å; E382-S384 PolarHBondContact N-OG 2.95Å; E382-S384 VanDerWaalsContact N-OG 3.09Å | ||
| 385 | G | 29.7 | Very low | 32.2 | Very low | 42 Ų | 42 | 112 Ų | 112 | 43% | 0.433 | 59% | 0.59 | S | S | . | * | trans | 120.5 | 96.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | I383 | I383-G385 WeakPolarHBondContact CG1-O 3.19Š| ||
| 386 | D | 30 | Very low | 33.7 | Very low | 140 Ų | 140 | 113.5 Ų | 113.5 | 75% | 0.749 | 60% | 0.598 | S | S | * | * | S | Bend | cis | -133.4 | 151 | 20.6 | -71.6 | -12.1 | 0 | 0 | 0 | 109.6 | ||
| 387 | D | 36.9 | Very low | 33.6 | Very low | 135 Ų | 135 | 113.4 Ų | 113.4 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | cis | -154.1 | -172.3 | 5.5 | -124.6 | -11.3 | 0 | 0 | 0 | 111.7 | ||||
| 388 | P | 40.8 | Very low | 34.4 | Very low | 82 Ų | 82 | 112.9 Ų | 112.9 | 53% | 0.532 | 60% | 0.6 | S | S | . | * | trans | -117.8 | -161.4 | -154.3 | 31.2 | -5.5 | 0 | 0 | 0 | 111.5 | ||||
| 389 | F | 42.2 | Very low | 35.2 | Very low | 190 Ų | 190 | 111.6 Ų | 111.6 | 83% | 0.833 | 60% | 0.601 | S | S | * | * | trans | 64.9 | 164.9 | -174 | -47.5 | -80.6 | 0 | 0 | 0 | 111.7 | ||||
| 390 | N | 47.2 | Very low | 35.6 | Very low | 92 Ų | 92 | 110.9 Ų | 110.9 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | cis | -124.6 | 154.3 | -6.7 | -141.7 | 17.1 | 0 | 0 | 0 | 108.3 | Y431 | N390-Y431 PolarHBondContact O-OH 3.19Š| ||
| 391 | Q | 35 | Very low | 36.7 | Very low | 135 Ų | 135 | 105.8 Ų | 105.8 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | 37.7 | 109.5 | 112.3 | -68.3 | 176 | 38.4 | 0 | 0 | 112.5 | |||||
| 392 | N | 34.4 | Very low | 37.2 | Very low | 77 Ų | 77 | 107.4 Ų | 107.4 | 41% | 0.412 | 58% | 0.576 | S | S | . | * | 147.8 | -153.5 | 61.4 | -92.5 | -6 | 0 | 0 | 0 | 103.6 | Y431 | N392-Y431 VanDerWaalsContact O-CE2 3.28Å; N392-Y431 WeakPolarHBondContact O-CE2 3.41Å | |||
| 393 | E | 41.4 | Very low | 37.5 | Very low | 148 Ų | 148 | 102.6 Ų | 102.6 | 69% | 0.692 | 57% | 0.571 | S | S | * | * | 25.1 | 118.1 | 124.9 | -64.1 | 157.5 | 139.6 | 0 | 0 | 115.8 | |||||
| 394 | V | 37.1 | Very low | 38.4 | Very low | 64 Ų | 64 | 101.9 Ų | 101.9 | 39% | 0.388 | 57% | 0.568 | S | S | . | * | -158.3 | 116.9 | 51.4 | 167.5 | 0 | 0 | 0 | 0 | 111 | T430 Y432 | V394-T430 CarbonylContact C-O 3.52Å; V394-T430 PolarHBondContact N-O 3.34Å; V394-T430 WeakPolarHBondContact O-CB 3.42Å; V394-T430 VanDerWaalsContact O-O 3.05Å; V394-Y432 HydrophobicContact CB-CD2 4.49Å; V394-Y432 HydrophobicContact CB-CE2 3.79Å; V394-Y432 HydrophobicContact CG1-CE2 3.97Å; V394-Y432 VanDerWaalsContact O-CE2 3.26Å; V394-Y432 WeakPolarHBondContact O-CE2 3.08Å | |||
| 395 | N | 40.1 | Very low | 38.8 | Very low | 42 Ų | 42 | 100.1 Ų | 100.1 | 23% | 0.225 | 56% | 0.556 | C | S | . | * | 33 | 134.3 | 122.8 | -71 | -87 | 0 | 0 | 0 | 122.2 | Q429 T430 | N395-Q429 VanDerWaalsContact CG-NE2 3.33Å; N395-Q429 PolarHBondContact ND2-NE2 2.64Å; N395-Q429 WeakPolarHBondContact OD1-CG 3.29Å; N395-Q429 PolarHBondContact OD1-NE2 3.39Å; N395-T430 VanDerWaalsContact N-N 3.12Å | |||
| 396 | I | 51.4 | Low | 38.4 | Very low | 101 Ų | 101 | 105.4 Ų | 105.4 | 52% | 0.518 | 57% | 0.567 | S | S | . | * | trans | 80.3 | -150.3 | 132.5 | -67.3 | 173.1 | 0 | 0 | 0 | 113.1 | T430 | I396-T430 PolarHBondContact N-OG1 2.56Å; I396-T430 PolarHBondContact O-OG1 3.44Å | ||
| 397 | L | 24.5 | Very low | 39 | Very low | 128 Ų | 128 | 103.5 Ų | 103.5 | 67% | 0.67 | 55% | 0.55 | S | S | * | * | -103.3 | 175 | -128.2 | -82.1 | 161.5 | 0 | 0 | 0 | 114.3 | |||||
| 398 | P | 42.1 | Very low | 40.5 | Very low | 88 Ų | 88 | 102.6 Ų | 102.6 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | cis | -132.7 | 175.8 | -4.2 | 16.1 | 10.1 | 0 | 0 | 0 | 115.4 | ||||
| 399 | E | 36.4 | Very low | 39.7 | Very low | 121 Ų | 121 | 102.8 Ų | 102.8 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | trans | 31.8 | 97.6 | 136.9 | -55.1 | 144.2 | -140.6 | 0 | 0 | 116.9 | ||||
| 400 | N | 37 | Very low | 39 | Very low | 126 Ų | 126 | 97.9 Ų | 97.9 | 67% | 0.674 | 52% | 0.524 | S | S | * | . | cis | -159.4 | 168.9 | 39.5 | -110.5 | 18.1 | 0 | 0 | 0 | 113.1 | ||||
| 401 | E | 48.2 | Very low | 38 | Very low | 45 Ų | 45 | 100.6 Ų | 100.6 | 21% | 0.21 | 54% | 0.539 | C | S | . | . | cis | 114.6 | 36.1 | 1.5 | 59.1 | 115.6 | 163.5 | 0 | 0 | 111.4 | G403 N404 S405 F406 | E401-G403 PolarHBondContact O-N 2.9Å; E401-N404 WeakPolarHBondContact CB-O 3.28Å; E401-N404 VanDerWaalsContact CG-O 3.29Å; E401-N404 WeakPolarHBondContact CG-O 3.05Å; E401-N404 PolarHBondContact OE2-ND2 3.46Å; E401-S405 VanDerWaalsContact CD-CA 3.42Å; E401-S405 VanDerWaalsContact OE1-CA 3.26Å; E401-S405 WeakPolarHBondContact OE1-CA 3.05Å; E401-S405 WeakPolarHBondContact OE1-CB 3.43Å; E401-S405 PolarHBondContact OE1-OG 2.94Å; E401-S405 WeakPolarHBondContact OE2-CB 3.42Å; E401-S405 PolarHBondContact OE2-OG 3.35Å; E401-F406 WeakPolarHBondContact OE1-CD2 3.45Å; E401-F406 VanDerWaalsContact OE1-CE2 3.25Å; E401-F406 WeakPolarHBondContact OE1-CE2 3.45Å | ||
| 402 | T | 36.2 | Very low | 38.1 | Very low | 100 Ų | 100 | 100.3 Ų | 100.3 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -39 | 50.7 | 150.8 | -48.9 | 0 | 0 | 0 | 0 | 115.1 | E646 | T402-E646 WeakPolarHBondContact CB-OE1 3.08Å; T402-E646 PolarHBondContact OG1-OE1 3.46Å |
| 403 | G | 36.8 | Very low | 38.5 | Very low | 64 Ų | 64 | 105.8 Ų | 105.8 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 73.8 | 17.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | E401 | E401-G403 PolarHBondContact O-N 2.9Š|
| 404 | N | 45.6 | Very low | 38.5 | Very low | 116 Ų | 116 | 103.8 Ų | 103.8 | 62% | 0.62 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 166.5 | 171.1 | 173.7 | -25.6 | 118.9 | 0 | 0 | 0 | 113.9 | E401 | E401-N404 WeakPolarHBondContact CB-O 3.28Å; E401-N404 VanDerWaalsContact CG-O 3.29Å; E401-N404 WeakPolarHBondContact CG-O 3.05Å; E401-N404 PolarHBondContact OE2-ND2 3.46Å |
| 405 | S | 40.8 | Very low | 38.7 | Very low | 66 Ų | 66 | 106.3 Ų | 106.3 | 46% | 0.462 | 57% | 0.569 | S | S | . | * | trans | -131 | 150.8 | -139.4 | -53.6 | 0 | 0 | 0 | 0 | 122 | E401 | E401-S405 VanDerWaalsContact CD-CA 3.42Å; E401-S405 VanDerWaalsContact OE1-CA 3.26Å; E401-S405 WeakPolarHBondContact OE1-CA 3.05Å; E401-S405 WeakPolarHBondContact OE1-CB 3.43Å; E401-S405 PolarHBondContact OE1-OG 2.94Å; E401-S405 WeakPolarHBondContact OE2-CB 3.42Å; E401-S405 PolarHBondContact OE2-OG 3.35Å | ||
| 406 | F | 22.1 | Very low | 38.2 | Very low | 153 Ų | 153 | 109.6 Ų | 109.6 | 67% | 0.671 | 59% | 0.587 | S | S | * | * | trans | 74.5 | 156.4 | 148.6 | -51.2 | 159.8 | 0 | 0 | 0 | 124.4 | E401 | E401-F406 WeakPolarHBondContact OE1-CD2 3.45Å; E401-F406 VanDerWaalsContact OE1-CE2 3.25Å; E401-F406 WeakPolarHBondContact OE1-CE2 3.45Å | ||
| 407 | Y | 43.8 | Very low | 37.4 | Very low | 101 Ų | 101 | 111.3 Ų | 111.3 | 40% | 0.396 | 60% | 0.597 | S | S | . | * | trans | 79.8 | 144.3 | 150.3 | -113.3 | -78 | 0 | 0 | 0 | 123.4 | T427 A428 Q429 | Y407-T427 WeakPolarHBondContact CE1-O 3.49Å; Y407-T427 PolarHBondContact OH-O 2.93Å; Y407-T427 VanDerWaalsContact OH-O 3.09Å; Y407-A428 HydrophobicContact CD1-CB 3.71Å; Y407-A428 HydrophobicContact CD2-CB 2.55Å; Y407-A428 HydrophobicContact CE1-CB 3.92Å; Y407-A428 HydrophobicContact CE2-CB 2.83Å; Y407-A428 WeakPolarHBondContact CE2-O 3.37Å; Y407-A428 HydrophobicContact CG-CB 3.04Å; Y407-A428 WeakPolarHBondContact OH-CA 3.09Å; Y407-A428 PolarHBondContact OH-N 3.34Å; Y407-A428 PolarHBondContact OH-O 2.87Å; Y407-A428 VanDerWaalsContact OH-O 3.11Å; Y407-Q429 HydrophobicContact CE1-CB 4.32Å; Y407-Q429 HydrophobicContact CE1-CG 4.03Å | ||
| 408 | H | 66.6 | Low | 38 | Very low | 116 Ų | 116 | 114 Ų | 114 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | trans | 72 | 162.3 | 172.1 | -65.2 | -67.3 | 0 | 0 | 0 | 118.9 | ||||
| 409 | E | 24.2 | Very low | 37.4 | Very low | 85 Ų | 85 | 116.4 Ų | 116.4 | 40% | 0.397 | 61% | 0.607 | S | S | . | * | cis | 37 | 139 | -28.4 | -140.8 | -92.7 | -176 | 0 | 0 | 123.4 | Y431 | E409-Y431 HydrophobicContact CG-CD2 3.67Å; E409-Y431 HydrophobicContact CG-CE2 4.49Å; E409-Y431 HydrophobicContact CG-CG 4.15Å; E409-Y431 WeakPolarHBondContact OE1-CD2 3.4Å; E409-Y431 WeakPolarHBondContact OE1-CE2 3.41Å | ||
| 410 | S | 27.6 | Very low | 37.2 | Very low | 87 Ų | 87 | 115.9 Ų | 115.9 | 61% | 0.608 | 60% | 0.604 | S | S | * | * | cis | -134.2 | 166.7 | -19.6 | 41.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 411 | N | 26.8 | Very low | 37 | Very low | 149 Ų | 149 | 116 Ų | 116 | 80% | 0.797 | 61% | 0.61 | S | S | * | * | trans | -123.8 | 105.5 | 176.3 | -156.7 | -5.1 | 0 | 0 | 0 | 111.8 | F413 | N411-F413 PolarHBondContact O-N 3.01Š| ||
| 412 | K | 36.9 | Very low | 36.2 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 56% | 0.561 | 63% | 0.627 | S | S | * | * | trans | -63.8 | 124.7 | -178.9 | 178.1 | -171.9 | -179.9 | -174.5 | 0 | 111.1 | V414 D416 | K412-V414 WeakPolarHBondContact CE-O 3.49Å; K412-D416 IonicContact NZ-OD2 3.47Å; K412-D416 PolarHBondContact NZ-OD2 3.38Å | ||
| 413 | F | 43.2 | Very low | 36.3 | Very low | 192 Ų | 192 | 123.1 Ų | 123.1 | 84% | 0.842 | 64% | 0.641 | S | S | * | * | trans | -128.1 | 47.9 | 164.4 | -115.6 | -68.4 | 0 | 0 | 0 | 116 | N411 | N411-F413 PolarHBondContact O-N 3.01Š| ||
| 414 | V | 40.4 | Very low | 36.1 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 65% | 0.648 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -116 | 96.9 | 150.5 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | K412 D416 | K412-V414 WeakPolarHBondContact CE-O 3.49Å; V414-D416 PolarHBondContact O-N 3.15Å |
| 415 | V | 41.7 | Very low | 35.6 | Very low | 117 Ų | 117 | 126 Ų | 126 | 71% | 0.709 | 65% | 0.646 | S | S | * | * | 71.6 | -4 | 128.1 | 178.8 | 0 | 0 | 0 | 0 | 120.6 | N417 | V415-N417 WeakPolarHBondContact O-CB 3.29Š| |||
| 416 | D | 29.4 | Very low | 35 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 59% | 0.588 | 66% | 0.658 | S | S | * | * | trans | -89 | 120.8 | 153.8 | -69.3 | -68.4 | 0 | 0 | 0 | 108.6 | K412 V414 | K412-D416 IonicContact NZ-OD2 3.47Å; K412-D416 PolarHBondContact NZ-OD2 3.38Å; V414-D416 PolarHBondContact O-N 3.15Å | ||
| 417 | N | 35.6 | Very low | 35.3 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | cis | 58.3 | 54.1 | 4.7 | -149.2 | 23.3 | 0 | 0 | 0 | 116.2 | V415 | V415-N417 WeakPolarHBondContact O-CB 3.29Š| ||
| 418 | K | 37.3 | Very low | 34.7 | Very low | 184 Ų | 184 | 123.2 Ų | 123.2 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | -116.9 | 144.6 | 110.1 | -94.9 | 140.1 | -164.9 | 156.7 | 0 | 110.9 | |||||
| 419 | E | 28.5 | Very low | 32.6 | Very low | 138 Ų | 138 | 122.5 Ų | 122.5 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | trans | -15 | 149.4 | 135 | -76.5 | -171 | -179.3 | 0 | 0 | 116.1 | ||||
| 420 | H | 33.1 | Very low | 32.6 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 51% | 0.509 | 64% | 0.636 | S | S | . | * | 39.6 | 116.6 | 129.2 | -34.8 | -20.9 | 0 | 0 | 0 | 115.8 | Y422 | H420-Y422 HydrophobicContact CB-CD2 4.17Å; H420-Y422 HydrophobicContact CB-CE2 3.66Å; H420-Y422 PolarHBondContact CE1-OH 3.26Å; H420-Y422 AromaticContact CG-CE2 3.74Å; H420-Y422 AromaticContact CG-CZ 3.78Å; H420-Y422 AromaticContact ND1-CE2 3.78Å; H420-Y422 AromaticContact ND1-CZ 3.3Å; H420-Y422 VanDerWaalsContact ND1-CZ 3.3Å; H420-Y422 PolarHBondContact ND1-OH 2.69Å | |||
| 421 | T | 33.1 | Very low | 32.7 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 79% | 0.791 | 63% | 0.631 | S | S | * | * | cis | -163.5 | 144.7 | 40.3 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 422 | Y | 29.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 122.2 Ų | 122.2 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | cis | -167.6 | 135.3 | -31.7 | -103.2 | -57.8 | 0 | 0 | 0 | 105.4 | H420 D424 | H420-Y422 HydrophobicContact CB-CD2 4.17Å; H420-Y422 HydrophobicContact CB-CE2 3.66Å; H420-Y422 PolarHBondContact CE1-OH 3.26Å; H420-Y422 AromaticContact CG-CE2 3.74Å; H420-Y422 AromaticContact CG-CZ 3.78Å; H420-Y422 AromaticContact ND1-CE2 3.78Å; H420-Y422 AromaticContact ND1-CZ 3.3Å; H420-Y422 VanDerWaalsContact ND1-CZ 3.3Å; H420-Y422 PolarHBondContact ND1-OH 2.69Å; Y422-D424 PolarHBondContact O-N 2.96Å | ||
| 423 | T | 38.4 | Very low | 32 | Very low | 147 Ų | 147 | 121.4 Ų | 121.4 | 90% | 0.902 | 63% | 0.627 | S | S | * | * | trans | 66.6 | 19 | 170 | 60.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 424 | D | 32.6 | Very low | 31.1 | Very low | 129 Ų | 129 | 120 Ų | 120 | 69% | 0.69 | 63% | 0.627 | S | S | * | * | trans | -131.1 | 145 | -170.9 | -95.1 | -64.4 | 0 | 0 | 0 | 112.6 | Y422 | Y422-D424 PolarHBondContact O-N 2.96Š| ||
| 425 | T | 36.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 116.8 Ų | 116.8 | 69% | 0.693 | 62% | 0.615 | S | S | * | * | cis | -160.5 | 12.2 | -19 | -4.3 | 0 | 0 | 0 | 0 | 113.8 | T427 | T425-T427 PolarHBondContact O-N 3.1Š| ||
| 426 | I | 26.7 | Very low | 29.8 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | trans | -76.8 | 116.5 | -146.5 | -64.2 | 172.5 | 0 | 0 | 0 | 116.1 | ||||
| 427 | T | 28.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 66% | 0.663 | 62% | 0.622 | S | S | * | * | trans | -67.4 | 156.2 | 155.9 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | Y407 T425 | Y407-T427 WeakPolarHBondContact CE1-O 3.49Å; Y407-T427 PolarHBondContact OH-O 2.93Å; Y407-T427 VanDerWaalsContact OH-O 3.09Å; T425-T427 PolarHBondContact O-N 3.1Å | ||
| 428 | A | 32.7 | Very low | 29.3 | Very low | 13 Ų | 13 | 121.8 Ų | 121.8 | 11% | 0.107 | 61% | 0.611 | C | S | . | * | trans | -0.8 | 85.2 | 159 | 0 | 0 | 0 | 0 | 0 | 127.3 | Y407 | Y407-A428 HydrophobicContact CD1-CB 3.71Å; Y407-A428 HydrophobicContact CD2-CB 2.55Å; Y407-A428 HydrophobicContact CE1-CB 3.92Å; Y407-A428 HydrophobicContact CE2-CB 2.83Å; Y407-A428 WeakPolarHBondContact CE2-O 3.37Å; Y407-A428 HydrophobicContact CG-CB 3.04Å; Y407-A428 WeakPolarHBondContact OH-CA 3.09Å; Y407-A428 PolarHBondContact OH-N 3.34Å; Y407-A428 PolarHBondContact OH-O 2.87Å; Y407-A428 VanDerWaalsContact OH-O 3.11Å | ||
| 429 | Q | 22.9 | Very low | 28.8 | Very low | 101 Ų | 101 | 115.4 Ų | 115.4 | 47% | 0.472 | 60% | 0.598 | S | S | . | * | trans | -121.7 | 123.6 | 167.4 | -57.6 | -152.6 | -47.3 | 0 | 0 | 106.2 | N395 Y407 | N395-Q429 VanDerWaalsContact CG-NE2 3.33Å; N395-Q429 PolarHBondContact ND2-NE2 2.64Å; N395-Q429 WeakPolarHBondContact OD1-CG 3.29Å; N395-Q429 PolarHBondContact OD1-NE2 3.39Å; Y407-Q429 HydrophobicContact CE1-CB 4.32Å; Y407-Q429 HydrophobicContact CE1-CG 4.03Å | ||
| 430 | T | 23.9 | Very low | 28.8 | Very low | 50 Ų | 50 | 113.1 Ų | 113.1 | 31% | 0.307 | 59% | 0.59 | S | S | . | * | trans | -96.2 | 151.8 | -162.9 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | V394 N395 I396 | V394-T430 CarbonylContact C-O 3.52Å; V394-T430 PolarHBondContact N-O 3.34Å; V394-T430 WeakPolarHBondContact O-CB 3.42Å; V394-T430 VanDerWaalsContact O-O 3.05Å; N395-T430 VanDerWaalsContact N-N 3.12Å; I396-T430 PolarHBondContact N-OG1 2.56Å; I396-T430 PolarHBondContact O-OG1 3.44Å | ||
| 431 | Y | 29.3 | Very low | 28.4 | Very low | 125 Ų | 125 | 113.1 Ų | 113.1 | 49% | 0.49 | 59% | 0.591 | S | S | . | * | trans | -106.3 | 133.7 | 159.1 | -122.3 | -104.2 | 0 | 0 | 0 | 108.7 | N390 N392 E409 | N390-Y431 PolarHBondContact O-OH 3.19Å; N392-Y431 VanDerWaalsContact O-CE2 3.28Å; N392-Y431 WeakPolarHBondContact O-CE2 3.41Å; E409-Y431 HydrophobicContact CG-CD2 3.67Å; E409-Y431 HydrophobicContact CG-CE2 4.49Å; E409-Y431 HydrophobicContact CG-CG 4.15Å; E409-Y431 WeakPolarHBondContact OE1-CD2 3.4Å; E409-Y431 WeakPolarHBondContact OE1-CE2 3.41Å | ||
| 432 | Y | 24.5 | Very low | 27.9 | Very low | 141 Ų | 141 | 113.2 Ų | 113.2 | 55% | 0.553 | 58% | 0.582 | S | S | * | * | trans | -76.3 | 152.3 | -176.2 | -87.6 | -116.8 | 0 | 0 | 0 | 112.1 | V394 | V394-Y432 HydrophobicContact CB-CD2 4.49Å; V394-Y432 HydrophobicContact CB-CE2 3.79Å; V394-Y432 HydrophobicContact CG1-CE2 3.97Å; V394-Y432 VanDerWaalsContact O-CE2 3.26Å; V394-Y432 WeakPolarHBondContact O-CE2 3.08Å | ||
| 433 | P | 24.7 | Very low | 27.6 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 73% | 0.727 | 59% | 0.585 | S | S | * | * | trans | -68.8 | 140 | 158.5 | 31.7 | -33 | 0 | 0 | 0 | 109.9 | ||||
| 434 | L | 24 | Very low | 27 | Very low | 163 Ų | 163 | 110.3 Ų | 110.3 | 85% | 0.853 | 56% | 0.556 | S | S | * | * | trans | -122.4 | 144.8 | 172.3 | -82.1 | 167 | 0 | 0 | 0 | 110.5 | ||||
| 435 | G | 23.6 | Very low | 26.6 | Very low | 38 Ų | 38 | 110 Ų | 110 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | trans | -79.8 | -164.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y437 | G435-Y437 PolarHBondContact O-N 3.15Š| ||
| 436 | R | 30.6 | Very low | 26.1 | Very low | 200 Ų | 200 | 108.6 Ų | 108.6 | 76% | 0.755 | 54% | 0.538 | S | S | * | . | trans | -77.5 | 120 | 163.7 | -171.9 | -177.6 | -171.8 | -131.1 | 2.2 | 107.9 | D438 | R436-D438 WeakPolarHBondContact CD-OD1 3.29Å; R436-D438 IonicContact CZ-OD1 3.37Å; R436-D438 IonicContact CZ-OD2 3.1Å; R436-D438 IonicContact NE-OD1 3.94Å; R436-D438 IonicContact NH1-OD1 2.73Å; R436-D438 PolarHBondContact NH1-OD1 2.9Å; R436-D438 IonicContact NH1-OD2 3.02Å; R436-D438 PolarHBondContact NH1-OD2 3.01Å; R436-D438 IonicContact NH2-OD2 3.65Å; R436-D438 PolarHBondContact O-N 3.29Å | ||
| 437 | Y | 23.7 | Very low | 26.1 | Very low | 174 Ų | 174 | 108.3 Ų | 108.3 | 68% | 0.682 | 53% | 0.533 | S | S | * | . | trans | -90.5 | 87 | 158.6 | -175.9 | -97 | 0 | 0 | 0 | 108.3 | G435 D440 | G435-Y437 PolarHBondContact O-N 3.15Å; Y437-D440 PolarHBondContact OH-OD1 3.15Å | ||
| 438 | D | 30.7 | Very low | 25.8 | Very low | 96 Ų | 96 | 111.5 Ų | 111.5 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | S | Bend | -84.4 | 147.1 | 120.5 | 33.1 | -9 | 0 | 0 | 0 | 108.4 | R436 | R436-D438 WeakPolarHBondContact CD-OD1 3.29Å; R436-D438 IonicContact CZ-OD1 3.37Å; R436-D438 IonicContact CZ-OD2 3.1Å; R436-D438 IonicContact NE-OD1 3.94Å; R436-D438 IonicContact NH1-OD1 2.73Å; R436-D438 PolarHBondContact NH1-OD1 2.9Å; R436-D438 IonicContact NH1-OD2 3.02Å; R436-D438 PolarHBondContact NH1-OD2 3.01Å; R436-D438 IonicContact NH2-OD2 3.65Å; R436-D438 PolarHBondContact O-N 3.29Å | |
| 439 | G | 27.4 | Very low | 25.5 | Very low | 51 Ų | 51 | 116.5 Ų | 116.5 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -64.4 | 152.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 440 | D | 28.9 | Very low | 25.5 | Very low | 90 Ų | 90 | 117.9 Ų | 117.9 | 48% | 0.481 | 58% | 0.582 | S | S | . | * | cis | -153.4 | 118.4 | 12.3 | -86.7 | -40 | 0 | 0 | 0 | 114.2 | Y437 R443 | Y437-D440 PolarHBondContact OH-OD1 3.15Å; D440-R443 HydrophobicContact CB-CB 4.02Å; D440-R443 HydrophobicContact CB-CG 4.35Å; D440-R443 PolarHBondContact O-N 2.56Å | ||
| 441 | E | 24.2 | Very low | 25.7 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 51% | 0.514 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -139.8 | 97.7 | 154.5 | -75.6 | 175.4 | 173.4 | 0 | 0 | 106.2 | V492 H498 | E441-V492 HydrophobicContact CB-CG1 4.12Å; E441-V492 HydrophobicContact CG-CG1 4.12Å; E441-V492 HydrophobicContact CG-CG2 4.14Å; E441-V492 WeakPolarHBondContact OE1-CG2 3.1Å; E441-H498 IonicContact OE2-ND1 2.67Å; E441-H498 PolarHBondContact OE2-ND1 2.89Å |
| 442 | E | 23 | Very low | 25.5 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -68.7 | 115.1 | 8.4 | -70 | -163.3 | 123.2 | 0 | 0 | 115.5 | Q444 | E442-Q444 HydrophobicContact CB-CB 4.11Å; E442-Q444 PolarHBondContact O-N 2.9Å; E442-Q444 PolarHBondContact OE1-NE2 3.49Å; E442-Q444 VanDerWaalsContact OE2-CD 3.28Å; E442-Q444 PolarHBondContact OE2-NE2 2.85Å |
| 443 | R | 22.5 | Very low | 25.5 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | trans | -69.6 | 79.6 | 141 | -157.3 | -171.1 | -161.5 | -136.7 | 6.3 | 107.5 | D440 E445 | D440-R443 HydrophobicContact CB-CB 4.02Å; D440-R443 HydrophobicContact CB-CG 4.35Å; D440-R443 PolarHBondContact O-N 2.56Å; R443-E445 HydrophobicContact CB-CG 4.33Å; R443-E445 HydrophobicContact CG-CG 3.78Å; R443-E445 IonicContact CZ-OE1 2.99Å; R443-E445 IonicContact NH1-OE1 3.5Å; R443-E445 PolarHBondContact NH1-OE1 2.91Å; R443-E445 WeakPolarHBondContact O-CG 3.31Å; R443-E445 PolarHBondContact O-N 3.06Å | ||
| 444 | Q | 25.8 | Very low | 25.5 | Very low | 65 Ų | 65 | 121.5 Ų | 121.5 | 30% | 0.304 | 62% | 0.623 | S | S | . | * | trans | -76.9 | 70.6 | 172.9 | -136.1 | -176.1 | 68.4 | 0 | 0 | 109.2 | E442 I446 R1523 | E442-Q444 HydrophobicContact CB-CB 4.11Å; E442-Q444 PolarHBondContact O-N 2.9Å; E442-Q444 PolarHBondContact OE1-NE2 3.49Å; E442-Q444 VanDerWaalsContact OE2-CD 3.28Å; E442-Q444 PolarHBondContact OE2-NE2 2.85Å; Q444-I446 PolarHBondContact O-N 3.34Å; Q444-I446 VanDerWaalsContact O-N 3.13Å; Q444-R1523 PolarHBondContact O-NH1 2.97Å | ||
| 445 | E | 25.1 | Very low | 25.5 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 58% | 0.575 | 61% | 0.61 | S | S | * | * | trans | -43.5 | 107.5 | -162.2 | -67.9 | -173.4 | 140 | 0 | 0 | 113.8 | R443 | R443-E445 HydrophobicContact CB-CG 4.33Å; R443-E445 HydrophobicContact CG-CG 3.78Å; R443-E445 IonicContact CZ-OE1 2.99Å; R443-E445 IonicContact NH1-OE1 3.5Å; R443-E445 PolarHBondContact NH1-OE1 2.91Å; R443-E445 WeakPolarHBondContact O-CG 3.31Å; R443-E445 PolarHBondContact O-N 3.06Å | ||
| 446 | I | 25.5 | Very low | 25.7 | Very low | 82 Ų | 82 | 123.5 Ų | 123.5 | 42% | 0.421 | 63% | 0.628 | S | S | . | * | trans | -123 | 75 | 140.5 | -52.4 | -175.4 | 0 | 0 | 0 | 107.6 | Q444 R1523 L1532 | Q444-I446 PolarHBondContact O-N 3.34Å; Q444-I446 VanDerWaalsContact O-N 3.13Å; I446-R1523 HydrophobicContact CD1-CB 4.18Å; I446-R1523 HydrophobicContact CG1-CG 4.47Å; I446-L1532 HydrophobicContact CD1-CD1 3.96Å; I446-L1532 HydrophobicContact CD1-CD2 3.81Å; I446-L1532 HydrophobicContact CD1-CG 4.38Å | ||
| 447 | H | 27.7 | Very low | 25.3 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 62% | 0.616 | 63% | 0.626 | S | S | * | * | 40.5 | 100.5 | 117.6 | -153.5 | -42.3 | 0 | 0 | 0 | 114.5 | P449 | H447-P449 WeakPolarHBondContact O-CD 3.45Å; H447-P449 VanDerWaalsContact O-N 3.09Å | |||
| 448 | E | 22.1 | Very low | 25.6 | Very low | 176 Ų | 176 | 118.8 Ų | 118.8 | 82% | 0.822 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 117.6 | 158.3 | -65.7 | -175.5 | 126.2 | 0 | 0 | 108.2 | L450 | E448-L450 PolarHBondContact O-N 3.16Š|
| 449 | P | 26.4 | Very low | 25.4 | Very low | 117 Ų | 117 | 122 Ų | 122 | 76% | 0.76 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 120.1 | 171.2 | -11.1 | 28.8 | 0 | 0 | 0 | 106.2 | H447 | H447-P449 WeakPolarHBondContact O-CD 3.45Å; H447-P449 VanDerWaalsContact O-N 3.09Å |
| 450 | L | 22.8 | Very low | 25.2 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 68% | 0.681 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -52 | 151.3 | -178.5 | -75.2 | 75.6 | 0 | 0 | 0 | 110.6 | E448 V452 | E448-L450 PolarHBondContact O-N 3.16Å; L450-V452 PolarHBondContact O-N 3.03Å |
| 451 | I | 26.7 | Very low | 25 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 84% | 0.841 | 66% | 0.662 | S | S | * | * | trans | -59.2 | 95.5 | 152.7 | -61.9 | 174.6 | 0 | 0 | 0 | 106.1 | P453 | I451-P453 WeakPolarHBondContact O-CD 3.28Å; I451-P453 VanDerWaalsContact O-N 3.15Å | ||
| 452 | V | 25.6 | Very low | 25.2 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 62% | 0.618 | 68% | 0.675 | S | S | * | * | trans | -65.5 | 111.9 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 106.4 | L450 V454 | L450-V452 PolarHBondContact O-N 3.03Å; V452-V454 PolarHBondContact O-N 2.92Å | ||
| 453 | P | 24.8 | Very low | 25.5 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | trans | -60.9 | 125.4 | 172.3 | 27.3 | -33.1 | 0 | 0 | 0 | 107.2 | I451 T455 | I451-P453 WeakPolarHBondContact O-CD 3.28Å; I451-P453 VanDerWaalsContact O-N 3.15Å; P453-T455 PolarHBondContact O-N 2.88Å | ||
| 454 | V | 24.6 | Very low | 25.7 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | trans | -51.3 | 119.7 | -172 | 173.3 | 0 | 0 | 0 | 0 | 109.6 | V452 I456 | V452-V454 PolarHBondContact O-N 2.92Å; V454-I456 VanDerWaalsContact C-N 3.27Å; V454-I456 PolarHBondContact O-N 3.08Å | ||
| 455 | T | 24.9 | Very low | 26 | Very low | 95 Ų | 95 | 132 Ų | 132 | 58% | 0.583 | 72% | 0.718 | S | S | * | * | trans | -67.1 | 87.8 | 178.4 | -45.5 | 0 | 0 | 0 | 0 | 109.4 | P453 H457 | P453-T455 PolarHBondContact O-N 2.88Å; T455-H457 VanDerWaalsContact C-N 3.27Å; T455-H457 PolarHBondContact O-CD2 2.82Å; T455-H457 PolarHBondContact O-N 3.05Å | ||
| 456 | I | 26.2 | Very low | 25.9 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | -65.3 | 97.4 | 160.8 | -60.6 | 177.8 | 0 | 0 | 0 | 105.4 | V454 P458 | V454-I456 VanDerWaalsContact C-N 3.27Å; V454-I456 PolarHBondContact O-N 3.08Å; I456-P458 WeakPolarHBondContact O-CD 3.19Å | ||
| 457 | H | 23.6 | Very low | 25.9 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 117.6 | 169.1 | -68.6 | -92.3 | 0 | 0 | 0 | 108.6 | T455 | T455-H457 VanDerWaalsContact C-N 3.27Å; T455-H457 PolarHBondContact O-CD2 2.82Å; T455-H457 PolarHBondContact O-N 3.05Å |
| 458 | P | 28.5 | Very low | 26 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 141.6 | 152.6 | -10.3 | 28.7 | 0 | 0 | 0 | 107 | I456 | I456-P458 WeakPolarHBondContact O-CD 3.19Š|
| 459 | L | 26.4 | Very low | 26 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 150.7 | 176.4 | -81.7 | 152.8 | 0 | 0 | 0 | 110.8 | ||
| 460 | S | 23.4 | Very low | 26 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 57% | 0.573 | 74% | 0.742 | S | S | * | * | trans | -25.6 | 136.4 | 162.5 | 50.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 461 | D | 26.1 | Very low | 26.1 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 66.7 | 167.4 | 137.9 | -48.4 | -25.6 | 0 | 0 | 0 | 119.1 | ||||
| 462 | D | 27.5 | Very low | 26.1 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | 63.1 | 125.8 | 172.5 | -47.6 | -18.1 | 0 | 0 | 0 | 116.2 | ||||
| 463 | D | 29.9 | Very low | 26 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | cis | -146.6 | 159.6 | 3.4 | -90.6 | -38.8 | 0 | 0 | 0 | 111.7 | ||||
| 464 | D | 25.3 | Very low | 25.9 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -23.5 | 138.2 | 165.2 | -56.6 | -31.2 | 0 | 0 | 0 | 119.1 | ||||
| 465 | D | 31.8 | Very low | 25.9 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | -143.5 | 104.4 | 118.6 | -134.3 | -18.1 | 0 | 0 | 0 | 109.3 | |||||
| 466 | E | 24.7 | Very low | 25.8 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -86.9 | 152.1 | -164.5 | -113.4 | -153.8 | 150.6 | 0 | 0 | 114.3 | ||||
| 467 | V | 24.9 | Very low | 25.7 | Very low | 87 Ų | 87 | 143 Ų | 143 | 53% | 0.527 | 78% | 0.78 | S | S | . | * | trans | 53.8 | 121.6 | 140.8 | 174.5 | 0 | 0 | 0 | 0 | 119.4 | I469 | V467-I469 HydrophobicContact CG1-CD1 3.99Å; V467-I469 HydrophobicContact CG1-CG1 4.09Å | ||
| 468 | L | 29 | Very low | 25.7 | Very low | 177 Ų | 177 | 144 Ų | 144 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | -142.7 | 111 | 128.8 | -115.3 | 170.4 | 0 | 0 | 0 | 111.7 | |||||
| 469 | I | 22.8 | Very low | 25.5 | Very low | 151 Ų | 151 | 146 Ų | 146 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | -86.5 | 140.2 | -174.4 | -69.1 | 156.6 | 0 | 0 | 0 | 110.8 | V467 | V467-I469 HydrophobicContact CG1-CD1 3.99Å; V467-I469 HydrophobicContact CG1-CG1 4.09Å | ||
| 470 | G | 26.2 | Very low | 25.4 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -149.7 | 78.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 471 | N | 26.1 | Very low | 25.5 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | 64.9 | 126.9 | 150.9 | -77.2 | -11.6 | 0 | 0 | 0 | 122.6 | ||||
| 472 | N | 25.7 | Very low | 25.5 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 76.2 | 121.9 | 134.6 | -59.6 | -12.7 | 0 | 0 | 0 | 121.7 | ||||
| 473 | G | 24.7 | Very low | 25.7 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | 128.5 | 86.7 | 106.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 474 | E | 22.1 | Very low | 26.1 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -65.5 | 145.1 | 169.3 | -54.7 | 173.3 | 103.7 | 0 | 0 | 112.4 | ||||
| 475 | Y | 24.8 | Very low | 27 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 94% | 0.937 | 79% | 0.786 | S | S | * | * | trans | -156.2 | 144.8 | 137 | -114.3 | -76.1 | 0 | 0 | 0 | 111.3 | ||||
| 476 | K | 22.1 | Very low | 28.1 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -119.9 | 137.4 | 179 | -67.7 | 178.1 | 178 | 177 | 0 | 111.7 | ||||
| 477 | S | 23.9 | Very low | 30 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -175.9 | 113 | 149.7 | 51.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 478 | M | 23.1 | Very low | 32.1 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | 55.6 | 99.1 | 77.8 | -72.2 | 177.9 | 148.6 | 0 | 0 | 113.7 | |||||
| 479 | N | 25.7 | Very low | 34 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 87% | 0.866 | 70% | 0.701 | S | S | * | * | -165.4 | 149.7 | 110.2 | -95.1 | -1.5 | 0 | 0 | 0 | 110.9 | |||||
| 480 | E | 23.9 | Very low | 36.7 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | trans | -95.4 | 138.9 | -177 | -57.3 | 146.5 | 141.5 | 0 | 0 | 110.8 | ||||
| 481 | T | 25.5 | Very low | 38.8 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 77% | 0.767 | 66% | 0.657 | S | S | * | * | trans | -155.3 | 110.2 | 155.7 | 34.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 482 | F | 26.7 | Very low | 40.9 | Very low | 189 Ų | 189 | 121.8 Ų | 121.8 | 83% | 0.829 | 64% | 0.644 | S | S | * | * | trans | 46.2 | 77.8 | 156.1 | -58.3 | -84.3 | 0 | 0 | 0 | 117.6 | ||||
| 483 | S | 30.2 | Very low | 43.4 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | trans | -81.9 | 120.6 | 138.9 | -166.2 | 0 | 0 | 0 | 0 | 106.9 | D485 | S483-D485 WeakPolarHBondContact CB-OD1 3.44Å; S483-D485 PolarHBondContact O-N 3.25Å; S483-D485 PolarHBondContact OG-OD1 3.05Å | ||
| 484 | N | 40 | Very low | 45.9 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 62% | 0.62 | 61% | 0.607 | S | S | * | * | trans | -80.2 | 74.5 | 167.1 | -82 | 3.7 | 0 | 0 | 0 | 107.5 | L486 | N484-L486 PolarHBondContact O-N 2.85Š| ||
| 485 | D | 43 | Very low | 48.8 | Very low | 120 Ų | 120 | 109.2 Ų | 109.2 | 64% | 0.642 | 57% | 0.57 | S | S | * | * | trans | -63.9 | 101.9 | 172.4 | -66.6 | -14.5 | 0 | 0 | 0 | 107.5 | S483 V487 | S483-D485 WeakPolarHBondContact CB-OD1 3.44Å; S483-D485 PolarHBondContact O-N 3.25Å; S483-D485 PolarHBondContact OG-OD1 3.05Å; D485-V487 WeakPolarHBondContact O-CG2 3.34Å; D485-V487 PolarHBondContact O-N 2.86Å | ||
| 486 | L | 54.2 | Low | 51.2 | Low | 42 Ų | 42 | 103.3 Ų | 103.3 | 22% | 0.22 | 56% | 0.555 | C | S | . | * | trans | -72.1 | 77.5 | 172.9 | -141.9 | 86.7 | 0 | 0 | 0 | 107.3 | N484 K488 Y503 V747 S749 | N484-L486 PolarHBondContact O-N 2.85Å; L486-K488 PolarHBondContact O-N 2.85Å; L486-Y503 HydrophobicContact CD2-CD1 3.89Å; L486-Y503 HydrophobicContact CD2-CG 4.04Å; L486-V747 HydrophobicContact CD1-CG1 3.47Å; L486-V747 VanDerWaalsContact CD1-CG1 3.47Å; L486-S749 VanDerWaalsContact CD2-CB 3.48Å | ||
| 487 | V | 65.7 | Low | 53.7 | Low | 85 Ų | 85 | 95 Ų | 95 | 52% | 0.515 | 52% | 0.521 | S | S | . | . | trans | -53.2 | 113.1 | -172.3 | 179 | 0 | 0 | 0 | 0 | 108.1 | D485 C489 R504 | D485-V487 WeakPolarHBondContact O-CG2 3.34Å; D485-V487 PolarHBondContact O-N 2.86Å; V487-C489 PolarHBondContact O-N 3.24Å; V487-R504 HydrophobicContact CB-CB 4.35Å; V487-R504 PolarHBondContact O-N 2.93Å | ||
| 488 | K | 68 | Low | 56.1 | Low | 119 Ų | 119 | 93.6 Ų | 93.6 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 115.3 | 168.9 | -91 | -160.7 | 165.7 | -168.6 | 0 | 107.4 | L486 E501 C502 Y503 | L486-K488 PolarHBondContact O-N 2.85Å; K488-E501 IonicContact NZ-OE1 3.69Å; K488-E501 PolarHBondContact NZ-OE1 3.39Å; K488-C502 VanDerWaalsContact CA-O 3.28Å; K488-C502 WeakPolarHBondContact CA-O 3.47Å; K488-Y503 HydrophobicContact CD-CE1 4.16Å; K488-Y503 VanDerWaalsContact CE-CE1 3.46Å; K488-Y503 WeakPolarHBondContact CE-OH 3.35Å; K488-Y503 HydrophobicContact CG-CD1 3.77Å; K488-Y503 HydrophobicContact CG-CE1 3.55Å |
| 489 | C | 70.5 | Confident | 58.9 | Low | 12 Ų | 12 | 89.1 Ų | 89.1 | 8% | 0.081 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 162.9 | 163 | 27.4 | 0 | 0 | 0 | 0 | 108.2 | V487 A491 E494 C502 Y503 R504 | V487-C489 PolarHBondContact O-N 3.24Å; C489-A491 PolarHBondContact O-N 3.21Å; C489-E494 HydrophobicContact CB-CB 4.43Å; C489-E494 HydrophobicContact CB-CG 4.37Å; C489-E494 WeakPolarHBondContact CB-OE1 3.22Å; C489-C502 HydrophobicContact CB-CB 3.86Å; C489-C502 WeakPolarHBondContact CB-SG 3.44Å; C489-C502 PolarHBondContact N-O 3.15Å; C489-C502 VanDerWaalsContact N-O 3.09Å; C489-C502 WeakPolarHBondContact SG-CB 3.38Å; C489-C502 CovalentContact SG-SG 2.03Å; C489-C502 PolarHBondContact SG-SG 2.81Å; C489-Y503 VanDerWaalsContact SG-CA 3.58Å; C489-Y503 PolarHBondContact SG-N 3.01Å; C489-R504 HydrophobicContact CB-CG 3.94Å; C489-R504 PolarHBondContact SG-N 3.48Å |
| 490 | D | 78.5 | Confident | 61.7 | Low | 81 Ų | 81 | 82.6 Ų | 82.6 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | trans | -71 | 122.8 | 165 | 168.3 | 36.2 | 0 | 0 | 0 | 108.7 | V492 S493 E494 | D490-V492 VanDerWaalsContact C-N 3.29Å; D490-V492 WeakPolarHBondContact OD1-CB 3.1Å; D490-V492 WeakPolarHBondContact OD1-CG2 3.45Å; D490-V492 PolarHBondContact OD1-N 3.26Å; D490-S493 WeakPolarHBondContact CB-OG 3.18Å; D490-S493 VanDerWaalsContact OD2-CB 3.23Å; D490-S493 WeakPolarHBondContact OD2-CB 3.32Å; D490-S493 PolarHBondContact OD2-N 3.46Å; D490-S493 PolarHBondContact OD2-OG 2.76Å; D490-E494 WeakPolarHBondContact O-CB 3.05Å; D490-E494 PolarHBondContact O-N 2.82Å; D490-E494 VanDerWaalsContact O-N 3.17Å | ||
| 491 | A | 70.6 | Confident | 64.6 | Low | 18 Ų | 18 | 75.9 Ų | 75.9 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -70.1 | -29.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C489 S493 C495 C502 | C489-A491 PolarHBondContact O-N 3.21Å; A491-S493 VanDerWaalsContact C-N 3.33Å; A491-S493 PolarHBondContact O-N 3.04Å; A491-C495 WeakPolarHBondContact O-CA 3.29Å; A491-C495 VanDerWaalsContact O-CB 3.23Å; A491-C495 WeakPolarHBondContact O-CB 3.42Å; A491-C495 PolarHBondContact O-N 2.93Å; A491-C502 HydrophobicContact CB-CB 3.85Å |
| 492 | V | 70.8 | Confident | 67.4 | Low | 79 Ų | 79 | 70 Ų | 70 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.4 | -34.4 | -176.9 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | E441 D490 | E441-V492 HydrophobicContact CB-CG1 4.12Å; E441-V492 HydrophobicContact CG-CG1 4.12Å; E441-V492 HydrophobicContact CG-CG2 4.14Å; E441-V492 WeakPolarHBondContact OE1-CG2 3.1Å; D490-V492 VanDerWaalsContact C-N 3.29Å; D490-V492 WeakPolarHBondContact OD1-CB 3.1Å; D490-V492 WeakPolarHBondContact OD1-CG2 3.45Å; D490-V492 PolarHBondContact OD1-N 3.26Å |
| 493 | S | 76.8 | Confident | 70.1 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 62% | 0.622 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -99 | -15.4 | 178.7 | 56.4 | 0 | 0 | 0 | 0 | 115.8 | D490 A491 | D490-S493 WeakPolarHBondContact CB-OG 3.18Å; D490-S493 VanDerWaalsContact OD2-CB 3.23Å; D490-S493 WeakPolarHBondContact OD2-CB 3.32Å; D490-S493 PolarHBondContact OD2-N 3.46Å; D490-S493 PolarHBondContact OD2-OG 2.76Å; A491-S493 VanDerWaalsContact C-N 3.33Å; A491-S493 PolarHBondContact O-N 3.04Å |
| 494 | E | 78.5 | Confident | 72.2 | Confident | 47 Ų | 47 | 62.8 Ų | 62.8 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -114.9 | -4 | -179.5 | -71.6 | -167.6 | -123.5 | 0 | 0 | 115.2 | C489 D490 R504 A509 C511 | C489-E494 HydrophobicContact CB-CB 4.43Å; C489-E494 HydrophobicContact CB-CG 4.37Å; C489-E494 WeakPolarHBondContact CB-OE1 3.22Å; D490-E494 WeakPolarHBondContact O-CB 3.05Å; D490-E494 PolarHBondContact O-N 2.82Å; D490-E494 VanDerWaalsContact O-N 3.17Å; E494-R504 IonicContact OE1-CZ 2.92Å; E494-R504 IonicContact OE1-NE 3.47Å; E494-R504 PolarHBondContact OE1-NE 2.94Å; E494-R504 IonicContact OE1-NH2 2.95Å; E494-R504 PolarHBondContact OE1-NH2 2.86Å; E494-R504 IonicContact OE2-CZ 3.9Å; E494-R504 IonicContact OE2-NE 3.69Å; E494-R504 PolarHBondContact OE2-NE 2.95Å; E494-R504 IonicContact OE2-NH2 2.71Å; E494-R504 PolarHBondContact OE2-NH2 3.05Å; E494-A509 HydrophobicContact CB-CB 3.81Å; E494-A509 WeakPolarHBondContact O-CB 3.39Å; E494-C511 PolarHBondContact O-SG 2.96Å; E494-C511 VanDerWaalsContact O-SG 3.32Å |
| 495 | C | 82 | Confident | 73.7 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | trans | -132.4 | 133.3 | -177 | -55.1 | 0 | 0 | 0 | 0 | 114.6 | A491 S497 C502 C511 N522 | A491-C495 WeakPolarHBondContact O-CA 3.29Å; A491-C495 VanDerWaalsContact O-CB 3.23Å; A491-C495 WeakPolarHBondContact O-CB 3.42Å; A491-C495 PolarHBondContact O-N 2.93Å; C495-S497 PolarHBondContact O-N 2.76Å; C495-C502 VanDerWaalsContact SG-CB 3.57Å; C495-C502 VanDerWaalsContact SG-SG 3.6Å; C495-C511 WeakPolarHBondContact CA-SG 3.19Å; C495-C511 HydrophobicContact CB-CB 3.62Å; C495-C511 WeakPolarHBondContact CB-SG 3.45Å; C495-C511 VanDerWaalsContact SG-CA 3.56Å; C495-C511 WeakPolarHBondContact SG-CB 3.44Å; C495-C511 CovalentContact SG-SG 2.02Å; C495-C511 PolarHBondContact SG-SG 3Å; C495-N522 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 496 | N | 76.5 | Confident | 75 | Confident | 115 Ų | 115 | 56.4 Ų | 56.4 | 62% | 0.615 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -87.7 | 19.6 | -175.4 | -36 | -67.5 | 0 | 0 | 0 | 115.6 | N522 | N496-N522 WeakPolarHBondContact CB-O 3.06Å; N496-N522 PolarHBondContact N-OD1 2.91Å; N496-N522 PolarHBondContact ND2-O 3.42Å; N496-N522 PolarHBondContact ND2-OD1 3.49Å |
| 497 | S | 74.3 | Confident | 75.8 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 11% | 0.112 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -138.5 | 135.4 | 179.3 | 179 | 0 | 0 | 0 | 0 | 111.7 | C495 T500 C525 | C495-S497 PolarHBondContact O-N 2.76Å; S497-T500 WeakPolarHBondContact O-CB 3.16Å; S497-T500 WeakPolarHBondContact O-CG2 3.33Å; S497-T500 PolarHBondContact O-OG1 3.48Å; S497-C525 PolarHBondContact OG-N 2.68Å |
| 498 | H | 73.7 | Confident | 76 | Confident | 83 Ų | 83 | 59 Ų | 59 | 38% | 0.384 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -66.7 | 163.3 | 168.3 | -50.3 | -72 | 0 | 0 | 0 | 111.7 | E441 | E441-H498 IonicContact OE2-ND1 2.67Å; E441-H498 PolarHBondContact OE2-ND1 2.89Å |
| 499 | N | 82.8 | Confident | 76.5 | Confident | 82 Ų | 82 | 54.7 Ų | 54.7 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 58.2 | 53.7 | -173.3 | -55.1 | -63.6 | 0 | 0 | 0 | 112.2 | C513 S514 F517 | N499-C513 CarbonylContact O-C 2.95Å; N499-C513 WeakPolarHBondContact O-CA 3.43Å; N499-S514 VanDerWaalsContact C-OG 3.26Å; N499-S514 PolarHBondContact O-N 3.32Å; N499-S514 PolarHBondContact O-OG 3.29Å; N499-F517 HydrophobicContact CB-CD1 3.93Å; N499-F517 HydrophobicContact CB-CD2 3.94Å; N499-F517 HydrophobicContact CB-CE1 3.93Å; N499-F517 HydrophobicContact CB-CE2 3.94Å; N499-F517 HydrophobicContact CB-CG 3.95Å; N499-F517 HydrophobicContact CB-CZ 3.94Å; N499-F517 VanDerWaalsContact CG-CZ 3.47Å |
| 500 | T | 84.4 | Confident | 77.1 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 165.1 | -176.3 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | S497 I512 S514 G521 C525 | S497-T500 WeakPolarHBondContact O-CB 3.16Å; S497-T500 WeakPolarHBondContact O-CG2 3.33Å; S497-T500 PolarHBondContact O-OG1 3.48Å; T500-I512 CarbonylContact C-O 3.57Å; T500-I512 WeakPolarHBondContact CA-O 3.1Å; T500-I512 WeakPolarHBondContact CB-O 3.35Å; T500-S514 WeakPolarHBondContact CA-OG 3.32Å; T500-S514 PolarHBondContact N-OG 2.84Å; T500-S514 PolarHBondContact O-OG 3.45Å; T500-G521 WeakPolarHBondContact CG2-O 3.37Å; T500-C525 VanDerWaalsContact CG2-SG 3.54Å |
| 501 | E | 84.7 | Confident | 77.5 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 150.3 | 166.7 | -53.2 | -167.2 | 112.7 | 0 | 0 | 110.1 | K488 Y503 C511 I512 R610 | K488-E501 IonicContact NZ-OE1 3.69Å; K488-E501 PolarHBondContact NZ-OE1 3.39Å; E501-Y503 HydrophobicContact CB-CE2 3.7Å; E501-Y503 VanDerWaalsContact CD-OH 3.27Å; E501-Y503 PolarHBondContact OE1-OH 2.89Å; E501-Y503 PolarHBondContact OE2-OH 3.35Å; E501-C511 WeakPolarHBondContact O-CA 3.38Å; E501-I512 HydrophobicContact CB-CD1 4.36Å; E501-I512 HydrophobicContact CB-CG1 3.88Å; E501-I512 PolarHBondContact N-O 2.73Å; E501-I512 PolarHBondContact O-N 3.08Å; E501-R610 IonicContact OE2-NH1 2.75Å |
| 502 | C | 83.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.4 | 177.7 | -168.4 | 0 | 0 | 0 | 0 | 112 | K488 C489 A491 C495 C510 | K488-C502 VanDerWaalsContact CA-O 3.28Å; K488-C502 WeakPolarHBondContact CA-O 3.47Å; C489-C502 HydrophobicContact CB-CB 3.86Å; C489-C502 WeakPolarHBondContact CB-SG 3.44Å; C489-C502 PolarHBondContact N-O 3.15Å; C489-C502 VanDerWaalsContact N-O 3.09Å; C489-C502 WeakPolarHBondContact SG-CB 3.38Å; C489-C502 CovalentContact SG-SG 2.03Å; C489-C502 PolarHBondContact SG-SG 2.81Å; A491-C502 HydrophobicContact CB-CB 3.85Å; C495-C502 VanDerWaalsContact SG-CB 3.57Å; C495-C502 VanDerWaalsContact SG-SG 3.6Å; C502-C510 WeakPolarHBondContact CA-O 3.45Å |
| 503 | Y | 82.9 | Confident | 79 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 14% | 0.137 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.1 | 172.6 | -58 | -93.9 | 0 | 0 | 0 | 109.9 | L486 K488 C489 E501 V505 C510 I512 | L486-Y503 HydrophobicContact CD2-CD1 3.89Å; L486-Y503 HydrophobicContact CD2-CG 4.04Å; K488-Y503 HydrophobicContact CD-CE1 4.16Å; K488-Y503 VanDerWaalsContact CE-CE1 3.46Å; K488-Y503 WeakPolarHBondContact CE-OH 3.35Å; K488-Y503 HydrophobicContact CG-CD1 3.77Å; K488-Y503 HydrophobicContact CG-CE1 3.55Å; C489-Y503 VanDerWaalsContact SG-CA 3.58Å; C489-Y503 PolarHBondContact SG-N 3.01Å; E501-Y503 HydrophobicContact CB-CE2 3.7Å; E501-Y503 VanDerWaalsContact CD-OH 3.27Å; E501-Y503 PolarHBondContact OE1-OH 2.89Å; E501-Y503 PolarHBondContact OE2-OH 3.35Å; Y503-V505 PolarHBondContact O-N 2.88Å; Y503-C510 PolarHBondContact N-O 3.5Å; Y503-C510 WeakPolarHBondContact O-CA 3.12Å; Y503-C510 WeakPolarHBondContact O-CB 3.35Å; Y503-C510 PolarHBondContact O-N 3.4Å; Y503-I512 HydrophobicContact CD2-CD1 4.12Å; Y503-I512 HydrophobicContact CD2-CG1 4.45Å; Y503-I512 HydrophobicContact CE2-CD1 3.56Å; Y503-I512 HydrophobicContact CE2-CG1 4.1Å |
| 504 | R | 74.9 | Confident | 79.4 | Confident | 95 Ų | 95 | 43.2 Ų | 43.2 | 36% | 0.358 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 119 | 179.8 | -98.9 | 166 | 177.6 | -87.3 | -9.2 | 110.6 | V487 C489 E494 N507 A508 | V487-R504 HydrophobicContact CB-CB 4.35Å; V487-R504 PolarHBondContact O-N 2.93Å; C489-R504 HydrophobicContact CB-CG 3.94Å; C489-R504 PolarHBondContact SG-N 3.48Å; E494-R504 IonicContact OE1-CZ 2.92Å; E494-R504 IonicContact OE1-NE 3.47Å; E494-R504 PolarHBondContact OE1-NE 2.94Å; E494-R504 IonicContact OE1-NH2 2.95Å; E494-R504 PolarHBondContact OE1-NH2 2.86Å; E494-R504 IonicContact OE2-CZ 3.9Å; E494-R504 IonicContact OE2-NE 3.69Å; E494-R504 PolarHBondContact OE2-NE 2.95Å; E494-R504 IonicContact OE2-NH2 2.71Å; E494-R504 PolarHBondContact OE2-NH2 3.05Å; R504-N507 PolarHBondContact NH1-O 2.84Å; R504-A508 WeakPolarHBondContact CA-O 3.35Å |
| 505 | V | 71.9 | Confident | 79.5 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 114 | -174.4 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | Y503 N507 A508 C510 K745 V747 | Y503-V505 PolarHBondContact O-N 2.88Å; V505-N507 PolarHBondContact O-N 2.8Å; V505-A508 PolarHBondContact N-O 3.13Å; V505-A508 PolarHBondContact O-N 3.27Å; V505-C510 HydrophobicContact CB-CB 4.09Å; V505-C510 HydrophobicContact CG2-CB 3.53Å; V505-K745 HydrophobicContact CB-CD 4.43Å; V505-K745 HydrophobicContact CG1-CB 3.64Å; V505-K745 HydrophobicContact CG1-CD 3.46Å; V505-K745 VanDerWaalsContact CG1-CD 3.46Å; V505-K745 HydrophobicContact CG1-CG 4.21Å; V505-V747 HydrophobicContact CG1-CB 4.29Å; V505-V747 WeakPolarHBondContact CG1-O 3.5Å; V505-V747 WeakPolarHBondContact CG2-O 3.48Å |
| 506 | D | 69.4 | Low | 79.4 | Confident | 100 Ų | 100 | 45.9 Ų | 45.9 | 54% | 0.535 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 41.6 | -174.6 | -52.9 | -46.7 | 0 | 0 | 0 | 112.7 | A508 | D506-A508 PolarHBondContact O-N 3.34Š|
| 507 | N | 71.4 | Confident | 79.8 | Confident | 143 Ų | 143 | 42.9 Ų | 42.9 | 77% | 0.765 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 6.3 | -172.4 | -86.9 | -16.3 | 0 | 0 | 0 | 116.7 | R504 V505 | R504-N507 PolarHBondContact NH1-O 2.84Å; V505-N507 PolarHBondContact O-N 2.8Å |
| 508 | A | 70.9 | Confident | 80.4 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 156.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R504 V505 D506 | R504-A508 WeakPolarHBondContact CA-O 3.35Å; V505-A508 PolarHBondContact N-O 3.13Å; V505-A508 PolarHBondContact O-N 3.27Å; D506-A508 PolarHBondContact O-N 3.34Å |
| 509 | A | 78.3 | Confident | 81.1 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 24% | 0.24 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 137.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E494 | E494-A509 HydrophobicContact CB-CB 3.81Å; E494-A509 WeakPolarHBondContact O-CB 3.39Å |
| 510 | C | 82.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 101.9 | 161.7 | -176 | 0 | 0 | 0 | 0 | 109.8 | C502 Y503 V505 C742 | C502-C510 WeakPolarHBondContact CA-O 3.45Å; Y503-C510 PolarHBondContact N-O 3.5Å; Y503-C510 WeakPolarHBondContact O-CA 3.12Å; Y503-C510 WeakPolarHBondContact O-CB 3.35Å; Y503-C510 PolarHBondContact O-N 3.4Å; V505-C510 HydrophobicContact CB-CB 4.09Å; V505-C510 HydrophobicContact CG2-CB 3.53Å; C510-C742 VanDerWaalsContact C-SG 3.57Å; C510-C742 WeakPolarHBondContact CA-SG 3.36Å; C510-C742 HydrophobicContact CB-CB 3.41Å; C510-C742 VanDerWaalsContact CB-CB 3.41Å; C510-C742 WeakPolarHBondContact CB-SG 3.25Å; C510-C742 WeakPolarHBondContact SG-CB 3.47Å; C510-C742 CovalentContact SG-SG 2.03Å; C510-C742 PolarHBondContact SG-SG 3.02Å |
| 511 | C | 86.7 | Confident | 80.9 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 5% | 0.054 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.3 | -175.4 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | E494 C495 E501 G521 N522 | E494-C511 PolarHBondContact O-SG 2.96Å; E494-C511 VanDerWaalsContact O-SG 3.32Å; C495-C511 WeakPolarHBondContact CA-SG 3.19Å; C495-C511 HydrophobicContact CB-CB 3.62Å; C495-C511 WeakPolarHBondContact CB-SG 3.45Å; C495-C511 VanDerWaalsContact SG-CA 3.56Å; C495-C511 WeakPolarHBondContact SG-CB 3.44Å; C495-C511 CovalentContact SG-SG 2.02Å; C495-C511 PolarHBondContact SG-SG 3Å; E501-C511 WeakPolarHBondContact O-CA 3.38Å; C511-G521 VanDerWaalsContact CB-C 3.43Å; C511-G521 VanDerWaalsContact CB-O 3.29Å; C511-G521 WeakPolarHBondContact CB-O 3.37Å; C511-G521 WeakPolarHBondContact O-CA 3.47Å; C511-N522 HydrophobicContact CB-CB 3.86Å |
| 512 | I | 86.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150 | -179.2 | 68.7 | 175.1 | 0 | 0 | 0 | 108.9 | T500 E501 Y503 Y612 L743 | T500-I512 CarbonylContact C-O 3.57Å; T500-I512 WeakPolarHBondContact CA-O 3.1Å; T500-I512 WeakPolarHBondContact CB-O 3.35Å; E501-I512 HydrophobicContact CB-CD1 4.36Å; E501-I512 HydrophobicContact CB-CG1 3.88Å; E501-I512 PolarHBondContact N-O 2.73Å; E501-I512 PolarHBondContact O-N 3.08Å; Y503-I512 HydrophobicContact CD2-CD1 4.12Å; Y503-I512 HydrophobicContact CD2-CG1 4.45Å; Y503-I512 HydrophobicContact CE2-CD1 3.56Å; Y503-I512 HydrophobicContact CE2-CG1 4.1Å; I512-Y612 HydrophobicContact CD1-CE1 3.96Å; I512-Y612 WeakPolarHBondContact CD1-OH 3.49Å; I512-L743 HydrophobicContact CG2-CD1 3.83Å; I512-L743 HydrophobicContact CG2-CD2 3.43Å; I512-L743 VanDerWaalsContact CG2-CD2 3.43Å; I512-L743 HydrophobicContact CG2-CG 3.65Å |
| 513 | C | 86.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 162.2 | 171.9 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | N499 F517 G519 C525 R610 | N499-C513 CarbonylContact O-C 2.95Å; N499-C513 WeakPolarHBondContact O-CA 3.43Å; C513-F517 HydrophobicContact CB-CB 3.96Å; C513-F517 WeakPolarHBondContact CB-O 3.37Å; C513-G519 PolarHBondContact SG-N 3.41Å; C513-C525 WeakPolarHBondContact CA-SG 3.26Å; C513-C525 HydrophobicContact CB-CB 3.77Å; C513-C525 WeakPolarHBondContact CB-SG 3.48Å; C513-C525 VanDerWaalsContact SG-CA 3.54Å; C513-C525 WeakPolarHBondContact SG-CB 3.41Å; C513-C525 CovalentContact SG-SG 2.03Å; C513-C525 PolarHBondContact SG-SG 3.36Å; C513-R610 PolarHBondContact O-NH1 3.12Å; C513-R610 PolarHBondContact O-NH2 2.75Å |
| 514 | S | 85.2 | Confident | 80.4 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -84.3 | 169.6 | 176 | -69.5 | 0 | 0 | 0 | 0 | 113 | N499 T500 G516 F517 R610 | N499-S514 VanDerWaalsContact C-OG 3.26Å; N499-S514 PolarHBondContact O-N 3.32Å; N499-S514 PolarHBondContact O-OG 3.29Å; T500-S514 WeakPolarHBondContact CA-OG 3.32Å; T500-S514 PolarHBondContact N-OG 2.84Å; T500-S514 PolarHBondContact O-OG 3.45Å; S514-G516 PolarHBondContact O-N 2.72Å; S514-F517 WeakPolarHBondContact O-CB 3.31Å; S514-F517 PolarHBondContact O-N 3.09Å; S514-F517 VanDerWaalsContact O-O 3.07Å; S514-R610 PolarHBondContact O-NH2 3.07Å |
| 515 | D | 79.1 | Confident | 81 | Confident | 88 Ų | 88 | 33.2 Ų | 33.2 | 47% | 0.471 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 133.6 | 175.7 | -119.4 | 34 | 0 | 0 | 0 | 111.1 | F517 K607 R610 | D515-F517 VanDerWaalsContact C-N 3.34Å; D515-K607 IonicContact OD2-NZ 2.83Å; D515-K607 PolarHBondContact OD2-NZ 2.65Å; D515-R610 VanDerWaalsContact OD1-CD 3.29Å; D515-R610 WeakPolarHBondContact OD1-CD 3.31Å; D515-R610 IonicContact OD1-CZ 3.01Å; D515-R610 IonicContact OD1-NE 2.82Å; D515-R610 PolarHBondContact OD1-NE 2.96Å |
| 516 | G | 79.5 | Confident | 81.6 | Confident | 27 Ų | 27 | 33.5 Ų | 33.5 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 4.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S514 E528 | S514-G516 PolarHBondContact O-N 2.72Å; G516-E528 WeakPolarHBondContact CA-OE2 3.49Å; G516-E528 PolarHBondContact O-N 3.42Å |
| 517 | F | 87 | Confident | 82.3 | Confident | 52 Ų | 52 | 29.6 Ų | 29.6 | 23% | 0.228 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.7 | 178.9 | -61.7 | -99 | 0 | 0 | 0 | 112.9 | N499 C513 S514 D515 C525 W526 | N499-F517 HydrophobicContact CB-CD1 3.93Å; N499-F517 HydrophobicContact CB-CD2 3.94Å; N499-F517 HydrophobicContact CB-CE1 3.93Å; N499-F517 HydrophobicContact CB-CE2 3.94Å; N499-F517 HydrophobicContact CB-CG 3.95Å; N499-F517 HydrophobicContact CB-CZ 3.94Å; N499-F517 VanDerWaalsContact CG-CZ 3.47Å; C513-F517 HydrophobicContact CB-CB 3.96Å; C513-F517 WeakPolarHBondContact CB-O 3.37Å; S514-F517 WeakPolarHBondContact O-CB 3.31Å; S514-F517 PolarHBondContact O-N 3.09Å; S514-F517 VanDerWaalsContact O-O 3.07Å; D515-F517 VanDerWaalsContact C-N 3.34Å; F517-C525 HydrophobicContact CB-CB 4.22Å; F517-W526 CarbonylContact C-O 3.41Å; F517-W526 WeakPolarHBondContact CA-O 3.36Å; F517-W526 WeakPolarHBondContact CB-O 3.48Å; F517-W526 WeakPolarHBondContact CD1-O 3.31Å |
| 518 | F | 86.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 158 | 179.1 | 63.6 | -91.3 | 0 | 0 | 0 | 111.8 | C525 W526 E528 F534 H561 I598 F615 | F518-C525 WeakPolarHBondContact O-CA 3.15Å; F518-W526 HydrophobicContact CD1-CB 4.48Å; F518-W526 HydrophobicContact CD2-CB 4.25Å; F518-W526 HydrophobicContact CE1-CB 3.91Å; F518-W526 HydrophobicContact CE2-CB 3.65Å; F518-W526 HydrophobicContact CE2-CD2 4.45Å; F518-W526 HydrophobicContact CE2-CE3 4.42Å; F518-W526 HydrophobicContact CE2-CG 4.2Å; F518-W526 HydrophobicContact CZ-CB 3.47Å; F518-W526 VanDerWaalsContact CZ-CB 3.47Å; F518-W526 HydrophobicContact CZ-CG 4.3Å; F518-W526 PolarHBondContact N-O 2.77Å; F518-W526 PolarHBondContact O-N 2.69Å; F518-E528 HydrophobicContact CD1-CG 3.76Å; F518-E528 HydrophobicContact CE1-CG 4.3Å; F518-F534 HydrophobicContact CE2-CE2 4.21Å; F518-F534 AromaticContact CE2-CZ 3.86Å; F518-F534 HydrophobicContact CE2-CZ 3.86Å; F518-F534 HydrophobicContact CZ-CE2 4.27Å; F518-F534 HydrophobicContact CZ-CZ 4.22Å; F518-H561 AromaticContact CE1-CD2 3.55Å; F518-H561 AromaticContact CE1-NE2 3.55Å; F518-H561 AromaticContact CZ-CD2 3.94Å; F518-I598 HydrophobicContact CD1-CG2 4.39Å; F518-I598 HydrophobicContact CD2-CG2 3.64Å; F518-I598 HydrophobicContact CE1-CG2 4.11Å; F518-I598 HydrophobicContact CE2-CD1 4.33Å; F518-I598 HydrophobicContact CE2-CG2 3.29Å; F518-I598 HydrophobicContact CG-CG2 4.18Å; F518-I598 HydrophobicContact CZ-CG2 3.55Å; F518-F615 AromaticContact CD2-CD1 3.79Å; F518-F615 HydrophobicContact CD2-CD1 3.79Å; F518-F615 AromaticContact CD2-CE1 3.97Å; F518-F615 HydrophobicContact CD2-CE1 3.97Å; F518-F615 HydrophobicContact CE2-CD1 4.33Å; F518-F615 HydrophobicContact CE2-CE1 4.21Å |
| 519 | G | 88 | Confident | 82.7 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.3 | -153.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116 | C513 G521 K524 T616 | C513-G519 PolarHBondContact SG-N 3.41Å; G519-G521 PolarHBondContact O-N 2.79Å; G519-K524 CarbonylContact C-O 3.51Å; G519-T616 PolarHBondContact N-OG1 3.42Å |
| 520 | A | 83.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 100.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | N522 A523 K524 N619 Q622 | A520-N522 PolarHBondContact O-N 3.01Å; A520-A523 HydrophobicContact CB-CB 4.36Å; A520-A523 PolarHBondContact O-N 2.04Å; A520-K524 CarbonylContact C-O 3.59Å; A520-K524 PolarHBondContact N-O 2.74Å; A520-K524 CarbonylContact O-C 3.52Å; A520-K524 PolarHBondContact O-N 3.42Å; A520-N619 WeakPolarHBondContact CB-O 3.46Å; A520-Q622 HydrophobicContact CB-CG 4.14Å |
| 521 | G | 79.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -15.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T500 C511 G519 | T500-G521 WeakPolarHBondContact CG2-O 3.37Å; C511-G521 VanDerWaalsContact CB-C 3.43Å; C511-G521 VanDerWaalsContact CB-O 3.29Å; C511-G521 WeakPolarHBondContact CB-O 3.37Å; C511-G521 WeakPolarHBondContact O-CA 3.47Å; G519-G521 PolarHBondContact O-N 2.79Å |
| 522 | N | 80.3 | Confident | 82 | Confident | 61 Ų | 61 | 34.2 Ų | 34.2 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 11.4 | 174.2 | -152.9 | 15.4 | 0 | 0 | 0 | 115.1 | C495 N496 C511 A520 | C495-N522 WeakPolarHBondContact CA-OD1 3.26Å; N496-N522 WeakPolarHBondContact CB-O 3.06Å; N496-N522 PolarHBondContact N-OD1 2.91Å; N496-N522 PolarHBondContact ND2-O 3.42Å; N496-N522 PolarHBondContact ND2-OD1 3.49Å; C511-N522 HydrophobicContact CB-CB 3.86Å; A520-N522 PolarHBondContact O-N 3.01Å |
| 523 | A | 78.2 | Confident | 81.8 | Confident | 30 Ų | 30 | 38 Ų | 38 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -161.4 | -39.2 | 180 | 0 | 0 | 0 | 0 | 0 | 116.5 | A520 Q622 | A520-A523 HydrophobicContact CB-CB 4.36Å; A520-A523 PolarHBondContact O-N 2.04Å; A523-Q622 VanDerWaalsContact CB-CD 3.46Å |
| 524 | K | 83 | Confident | 81.9 | Confident | 73 Ų | 73 | 38.1 Ų | 38.1 | 32% | 0.317 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 125.9 | 174.9 | -166 | 64.1 | 176.4 | -175.3 | 0 | 113.6 | G519 A520 W526 F650 | G519-K524 CarbonylContact C-O 3.51Å; A520-K524 CarbonylContact C-O 3.59Å; A520-K524 PolarHBondContact N-O 2.74Å; A520-K524 CarbonylContact O-C 3.52Å; A520-K524 PolarHBondContact O-N 3.42Å; K524-W526 HydrophobicContact CB-CE3 4.37Å; K524-W526 HydrophobicContact CB-CH2 3.8Å; K524-W526 HydrophobicContact CB-CZ2 4.3Å; K524-W526 HydrophobicContact CB-CZ3 3.83Å; K524-W526 HydrophobicContact CG-CD2 4Å; K524-W526 HydrophobicContact CG-CE3 3.99Å; K524-W526 HydrophobicContact CG-CH2 3.71Å; K524-W526 HydrophobicContact CG-CZ2 3.71Å; K524-W526 HydrophobicContact CG-CZ3 3.84Å; K524-W526 VanDerWaalsContact O-CZ3 3.27Å; K524-W526 WeakPolarHBondContact O-CZ3 3.35Å; K524-F650 HydrophobicContact CB-CD2 4.49Å |
| 525 | C | 86.3 | Confident | 82 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 8% | 0.081 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.6 | 166.7 | -62 | 0 | 0 | 0 | 0 | 110.7 | S497 T500 C513 F517 F518 | S497-C525 PolarHBondContact OG-N 2.68Å; T500-C525 VanDerWaalsContact CG2-SG 3.54Å; C513-C525 WeakPolarHBondContact CA-SG 3.26Å; C513-C525 HydrophobicContact CB-CB 3.77Å; C513-C525 WeakPolarHBondContact CB-SG 3.48Å; C513-C525 VanDerWaalsContact SG-CA 3.54Å; C513-C525 WeakPolarHBondContact SG-CB 3.41Å; C513-C525 CovalentContact SG-SG 2.03Å; C513-C525 PolarHBondContact SG-SG 3.36Å; F517-C525 HydrophobicContact CB-CB 4.22Å; F518-C525 WeakPolarHBondContact O-CA 3.15Å |
| 526 | W | 85.5 | Confident | 82.7 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 152.8 | 174.7 | -68.1 | -98.4 | 0 | 0 | 0 | 109.5 | F517 F518 K524 H532 F534 F615 L647 F650 | F517-W526 CarbonylContact C-O 3.41Å; F517-W526 WeakPolarHBondContact CA-O 3.36Å; F517-W526 WeakPolarHBondContact CB-O 3.48Å; F517-W526 WeakPolarHBondContact CD1-O 3.31Å; F518-W526 HydrophobicContact CD1-CB 4.48Å; F518-W526 HydrophobicContact CD2-CB 4.25Å; F518-W526 HydrophobicContact CE1-CB 3.91Å; F518-W526 HydrophobicContact CE2-CB 3.65Å; F518-W526 HydrophobicContact CE2-CD2 4.45Å; F518-W526 HydrophobicContact CE2-CE3 4.42Å; F518-W526 HydrophobicContact CE2-CG 4.2Å; F518-W526 HydrophobicContact CZ-CB 3.47Å; F518-W526 VanDerWaalsContact CZ-CB 3.47Å; F518-W526 HydrophobicContact CZ-CG 4.3Å; F518-W526 PolarHBondContact N-O 2.77Å; F518-W526 PolarHBondContact O-N 2.69Å; K524-W526 HydrophobicContact CB-CE3 4.37Å; K524-W526 HydrophobicContact CB-CH2 3.8Å; K524-W526 HydrophobicContact CB-CZ2 4.3Å; K524-W526 HydrophobicContact CB-CZ3 3.83Å; K524-W526 HydrophobicContact CG-CD2 4Å; K524-W526 HydrophobicContact CG-CE3 3.99Å; K524-W526 HydrophobicContact CG-CH2 3.71Å; K524-W526 HydrophobicContact CG-CZ2 3.71Å; K524-W526 HydrophobicContact CG-CZ3 3.84Å; K524-W526 VanDerWaalsContact O-CZ3 3.27Å; K524-W526 WeakPolarHBondContact O-CZ3 3.35Å; W526-H532 AromaticContact CD1-CE1 3.84Å; W526-H532 AromaticContact CD1-CG 3.88Å; W526-H532 AromaticContact CD1-ND1 3.67Å; W526-F534 AromaticContact CD1-CZ 3.93Å; W526-F534 HydrophobicContact CD2-CE1 4.2Å; W526-F534 AromaticContact CD2-CZ 3.95Å; W526-F534 HydrophobicContact CD2-CZ 3.95Å; W526-F534 AromaticContact CE2-CE1 3.78Å; W526-F534 AromaticContact CE2-CZ 3.85Å; W526-F534 AromaticContact CG-CZ 3.99Å; W526-F534 HydrophobicContact CG-CZ 3.99Å; W526-F534 HydrophobicContact CH2-CE1 4.36Å; W526-F534 AromaticContact CZ2-CE1 3.86Å; W526-F534 HydrophobicContact CZ2-CE1 3.86Å; W526-F534 HydrophobicContact CZ2-CZ 4.4Å; W526-F534 AromaticContact NE1-CZ 3.84Å; W526-F615 AromaticContact CE3-CE1 3.81Å; W526-F615 HydrophobicContact CE3-CE1 3.81Å; W526-F615 HydrophobicContact CE3-CZ 4.27Å; W526-F615 HydrophobicContact CH2-CE1 4.26Å; W526-F615 AromaticContact CH2-CZ 3.95Å; W526-F615 HydrophobicContact CH2-CZ 3.95Å; W526-F615 AromaticContact CZ3-CE1 3.53Å; W526-F615 HydrophobicContact CZ3-CE1 3.53Å; W526-F615 AromaticContact CZ3-CZ 3.69Å; W526-F615 HydrophobicContact CZ3-CZ 3.69Å; W526-L647 HydrophobicContact CH2-CD2 3.76Å; W526-L647 HydrophobicContact CZ2-CD2 4.14Å; W526-F650 HydrophobicContact CZ2-CB 3.93Å; W526-F650 HydrophobicContact CZ2-CG 4.48Å |
| 527 | S | 83.8 | Confident | 83.1 | Confident | 17 Ų | 17 | 36.2 Ų | 36.2 | 12% | 0.119 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 140.3 | -177.8 | -177.7 | 0 | 0 | 0 | 0 | 111 | V529 H532 | S527-V529 PolarHBondContact O-N 3.09Å; S527-V529 PolarHBondContact OG-N 2.86Å; S527-H532 PolarHBondContact N-NE2 3.4Å; S527-H532 PolarHBondContact O-CD2 3.49Å; S527-H532 VanDerWaalsContact O-CD2 3.27Å; S527-H532 PolarHBondContact O-NE2 3.47Å |
| 528 | E | 77.6 | Confident | 83.3 | Confident | 37 Ų | 37 | 34.5 Ų | 34.5 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -71.1 | -11.2 | 175.7 | -64.6 | 178.4 | 152.9 | 0 | 0 | 113.5 | G516 F518 P601 | G516-E528 WeakPolarHBondContact CA-OE2 3.49Å; G516-E528 PolarHBondContact O-N 3.42Å; F518-E528 HydrophobicContact CD1-CG 3.76Å; F518-E528 HydrophobicContact CE1-CG 4.3Å; E528-P601 WeakPolarHBondContact OE1-CD 3.37Å |
| 529 | V | 73.3 | Confident | 83.6 | Confident | 108 Ų | 108 | 35.5 Ų | 35.5 | 66% | 0.655 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -96.1 | -30.8 | -176.2 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | S527 | S527-V529 PolarHBondContact O-N 3.09Å; S527-V529 PolarHBondContact OG-N 2.86Å |
| 530 | N | 77.1 | Confident | 83.8 | Confident | 95 Ų | 95 | 35.5 Ų | 35.5 | 51% | 0.508 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -91.1 | 147.8 | -176.7 | -66.9 | -22.9 | 0 | 0 | 0 | 111 | H532 G562 | N530-H532 PolarHBondContact O-CD2 3.02Å; N530-H532 PolarHBondContact O-N 3.44Å; N530-G562 VanDerWaalsContact O-CA 3.26Å; N530-G562 WeakPolarHBondContact O-CA 3.41Å |
| 531 | D | 74.5 | Confident | 84.1 | Confident | 63 Ų | 63 | 37.3 Ų | 37.3 | 34% | 0.337 | 22% | 0.215 | S | C | . | . | trans | -76.9 | 121.2 | 178 | -69.9 | -69.7 | 0 | 0 | 0 | 112.7 | H561 S563 L564 | D531-H561 CarbonylContact C-O 3.54Å; D531-H561 WeakPolarHBondContact CA-O 3.29Å; D531-S563 PolarHBondContact OD1-N 3.21Å; D531-S563 PolarHBondContact OD1-OG 3.18Å; D531-S563 WeakPolarHBondContact OD2-CB 3.45Å; D531-S563 PolarHBondContact OD2-OG 3.07Å; D531-L564 PolarHBondContact OD1-N 3.14Å | ||
| 532 | H | 80.4 | Confident | 84.5 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 7% | 0.065 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.9 | -179.4 | -60.1 | -63 | 0 | 0 | 0 | 110.3 | W526 S527 N530 F534 Q560 H561 G653 A654 | W526-H532 AromaticContact CD1-CE1 3.84Å; W526-H532 AromaticContact CD1-CG 3.88Å; W526-H532 AromaticContact CD1-ND1 3.67Å; S527-H532 PolarHBondContact N-NE2 3.4Å; S527-H532 PolarHBondContact O-CD2 3.49Å; S527-H532 VanDerWaalsContact O-CD2 3.27Å; S527-H532 PolarHBondContact O-NE2 3.47Å; N530-H532 PolarHBondContact O-CD2 3.02Å; N530-H532 PolarHBondContact O-N 3.44Å; H532-F534 HydrophobicContact CB-CD2 4.49Å; H532-F534 HydrophobicContact CB-CE2 3.66Å; H532-F534 HydrophobicContact CB-CZ 4.26Å; H532-Q560 WeakPolarHBondContact O-CA 3.28Å; H532-H561 PolarHBondContact N-O 2.62Å; H532-H561 PolarHBondContact O-N 3.47Å; H532-G653 PolarHBondContact CE1-O 3.03Å; H532-G653 PolarHBondContact ND1-O 3.16Å; H532-A654 CarbonylContact C-O 3.52Å; H532-A654 WeakPolarHBondContact CA-O 3.37Å |
| 533 | K | 83.6 | Confident | 84.7 | Confident | 79 Ų | 79 | 40.3 Ų | 40.3 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.8 | 178.6 | -68.2 | 178.2 | 179.3 | 178.9 | 0 | 110.6 | I559 Q560 A654 Y655 A656 | K533-I559 CarbonylContact C-O 3.58Å; K533-I559 WeakPolarHBondContact CA-O 3.37Å; K533-Q560 HydrophobicContact CG-CB 4.29Å; K533-Q560 HydrophobicContact CG-CG 4.01Å; K533-A654 PolarHBondContact N-O 2.99Å; K533-Y655 HydrophobicContact CB-CD2 4.04Å; K533-Y655 CarbonylContact O-C 3.52Å; K533-Y655 VanDerWaalsContact O-CA 3.28Å; K533-Y655 WeakPolarHBondContact O-CA 3.04Å; K533-A656 PolarHBondContact O-N 3.24Å |
| 534 | F | 87.2 | Confident | 84.9 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.9 | 179.8 | -59.6 | -101.8 | 0 | 0 | 0 | 108.9 | F518 W526 H532 F536 D558 I559 I598 F615 L647 A656 | F518-F534 HydrophobicContact CE2-CE2 4.21Å; F518-F534 AromaticContact CE2-CZ 3.86Å; F518-F534 HydrophobicContact CE2-CZ 3.86Å; F518-F534 HydrophobicContact CZ-CE2 4.27Å; F518-F534 HydrophobicContact CZ-CZ 4.22Å; W526-F534 AromaticContact CD1-CZ 3.93Å; W526-F534 HydrophobicContact CD2-CE1 4.2Å; W526-F534 AromaticContact CD2-CZ 3.95Å; W526-F534 HydrophobicContact CD2-CZ 3.95Å; W526-F534 AromaticContact CE2-CE1 3.78Å; W526-F534 AromaticContact CE2-CZ 3.85Å; W526-F534 AromaticContact CG-CZ 3.99Å; W526-F534 HydrophobicContact CG-CZ 3.99Å; W526-F534 HydrophobicContact CH2-CE1 4.36Å; W526-F534 AromaticContact CZ2-CE1 3.86Å; W526-F534 HydrophobicContact CZ2-CE1 3.86Å; W526-F534 HydrophobicContact CZ2-CZ 4.4Å; W526-F534 AromaticContact NE1-CZ 3.84Å; H532-F534 HydrophobicContact CB-CD2 4.49Å; H532-F534 HydrophobicContact CB-CE2 3.66Å; H532-F534 HydrophobicContact CB-CZ 4.26Å; F534-F536 HydrophobicContact CB-CE2 3.92Å; F534-D558 CarbonylContact O-C 3.52Å; F534-D558 WeakPolarHBondContact O-CA 3.38Å; F534-I559 HydrophobicContact CB-CB 4.37Å; F534-I559 PolarHBondContact N-O 3.13Å; F534-I559 PolarHBondContact O-N 3.09Å; F534-I598 HydrophobicContact CB-CD1 4.24Å; F534-I598 HydrophobicContact CD1-CD1 3.9Å; F534-I598 HydrophobicContact CD2-CD1 3.32Å; F534-I598 HydrophobicContact CE1-CD1 4.04Å; F534-I598 HydrophobicContact CE2-CD1 3.48Å; F534-I598 VanDerWaalsContact CE2-CD1 3.48Å; F534-I598 HydrophobicContact CG-CD1 3.56Å; F534-I598 HydrophobicContact CZ-CD1 3.85Å; F534-F615 HydrophobicContact CD1-CE2 4.47Å; F534-F615 HydrophobicContact CD1-CZ 4.38Å; F534-F615 HydrophobicContact CE1-CE2 4.38Å; F534-F615 AromaticContact CE1-CZ 3.86Å; F534-F615 HydrophobicContact CE1-CZ 3.86Å; F534-L647 HydrophobicContact CD1-CD1 4.35Å; F534-A656 CarbonylContact C-O 3.5Å; F534-A656 VanDerWaalsContact CA-O 3.3Å; F534-A656 WeakPolarHBondContact CA-O 3.43Å; F534-A656 HydrophobicContact CD1-CB 3.85Å; F534-A656 HydrophobicContact CE1-CB 4.12Å |
| 535 | S | 88.9 | Confident | 84.4 | Confident | 32 Ų | 32 | 37.1 Ų | 37.1 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.8 | -178.2 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | L557 D558 A656 S657 G658 | S535-L557 CarbonylContact C-O 3.56Å; S535-D558 VanDerWaalsContact CB-OD1 3.22Å; S535-D558 WeakPolarHBondContact CB-OD1 3.48Å; S535-D558 PolarHBondContact OG-OD1 3.15Å; S535-A656 PolarHBondContact N-O 2.86Å; S535-S657 CarbonylContact O-C 3.6Å; S535-S657 WeakPolarHBondContact O-CA 3.49Å; S535-S657 WeakPolarHBondContact O-CB 2.92Å; S535-G658 PolarHBondContact O-N 3.46Å |
| 536 | F | 91.9 | Very high | 83.6 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 140.3 | 178.1 | -56 | -102.4 | 0 | 0 | 0 | 109.9 | F534 Y556 L557 L621 L647 G658 I660 | F534-F536 HydrophobicContact CB-CE2 3.92Å; F536-Y556 CarbonylContact O-C 3.46Å; F536-Y556 VanDerWaalsContact O-CA 3.26Å; F536-Y556 WeakPolarHBondContact O-CA 3.42Å; F536-L557 HydrophobicContact CB-CB 4.19Å; F536-L557 HydrophobicContact CD2-CB 4.4Å; F536-L557 HydrophobicContact CD2-CD2 3.83Å; F536-L557 HydrophobicContact CD2-CG 4.02Å; F536-L557 HydrophobicContact CE2-CD2 4.32Å; F536-L557 HydrophobicContact CG-CD2 4.33Å; F536-L557 PolarHBondContact N-O 3.48Å; F536-L557 PolarHBondContact O-N 3.11Å; F536-L621 HydrophobicContact CE1-CD1 3.8Å; F536-L621 HydrophobicContact CZ-CD1 3.64Å; F536-L647 HydrophobicContact CE1-CD1 3.86Å; F536-L647 HydrophobicContact CZ-CD1 3.71Å; F536-G658 WeakPolarHBondContact CA-O 3.18Å; F536-I660 HydrophobicContact CB-CB 4.16Å; F536-I660 HydrophobicContact CB-CG2 3.83Å |
| 537 | S | 88.6 | Confident | 82.7 | Confident | 71 Ų | 71 | 45.6 Ų | 45.6 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 158.6 | 174.8 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | I555 G658 V659 I660 | S537-I555 WeakPolarHBondContact CA-O 3.25Å; S537-G658 PolarHBondContact N-O 2.82Å; S537-V659 VanDerWaalsContact O-CA 3.22Å; S537-V659 WeakPolarHBondContact O-CA 3.47Å; S537-I660 PolarHBondContact O-N 2.91Å; S537-I660 VanDerWaalsContact O-N 3.1Å |
| 538 | G | 92.4 | Very high | 82.1 | Confident | 15 Ų | 15 | 50 Ų | 50 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -146.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I555 I660 E661 | G538-I555 PolarHBondContact N-O 3.09Å; G538-I555 VanDerWaalsContact N-O 3.16Å; G538-I555 WeakPolarHBondContact O-CG1 3.41Å; G538-I555 PolarHBondContact O-N 3.05Å; G538-I660 VanDerWaalsContact CA-O 3.24Å; G538-I660 WeakPolarHBondContact CA-O 3.3Å; G538-E661 WeakPolarHBondContact CA-OE1 3.28Å |
| 539 | S | 91.4 | Very high | 81.4 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.8 | -172.8 | 86.4 | 0 | 0 | 0 | 0 | 115.6 | L553 I555 I660 E661 L662 | S539-L553 CarbonylContact C-O 3.59Å; S539-L553 VanDerWaalsContact CA-O 3.29Å; S539-L553 WeakPolarHBondContact CA-O 3.28Å; S539-I555 WeakPolarHBondContact O-CD1 3.11Å; S539-I660 PolarHBondContact N-O 3.42Å; S539-E661 WeakPolarHBondContact CA-OE2 3.32Å; S539-E661 WeakPolarHBondContact CB-OE2 3.38Å; S539-E661 PolarHBondContact N-OE1 3.38Å; S539-E661 PolarHBondContact N-OE2 3.17Å; S539-E661 WeakPolarHBondContact O-CA 3.06Å; S539-E661 PolarHBondContact OG-OE2 3Å; S539-L662 PolarHBondContact O-N 2.58Å |
| 540 | L | 92.1 | Very high | 80.9 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.7 | 165.8 | -172.3 | 172 | 0 | 0 | 0 | 108.6 | A542 P552 L553 I555 I571 I584 I587 L662 | L540-A542 HydrophobicContact CD2-CB 4.26Å; L540-P552 CarbonylContact O-C 3.57Å; L540-P552 WeakPolarHBondContact O-CA 3.36Å; L540-L553 HydrophobicContact CB-CB 4.35Å; L540-L553 PolarHBondContact N-O 3.16Å; L540-L553 PolarHBondContact O-N 2.89Å; L540-I555 HydrophobicContact CB-CG2 3.77Å; L540-I555 HydrophobicContact CD1-CG2 4.43Å; L540-I571 HydrophobicContact CD1-CD1 3.95Å; L540-I584 HydrophobicContact CD1-CG2 3.86Å; L540-I584 HydrophobicContact CD2-CD1 3.68Å; L540-I584 HydrophobicContact CD2-CG1 4.48Å; L540-I587 HydrophobicContact CD1-CD1 3.82Å; L540-L662 CarbonylContact C-O 3.51Å; L540-L662 VanDerWaalsContact CA-O 3.3Å; L540-L662 WeakPolarHBondContact CA-O 3.02Å; L540-L662 HydrophobicContact CB-CB 4.06Å; L540-L662 HydrophobicContact CB-CD1 4.47Å; L540-L662 HydrophobicContact CD1-CB 4.49Å; L540-L662 HydrophobicContact CD1-CD1 3.99Å; L540-L662 HydrophobicContact CG-CB 3.85Å; L540-L662 HydrophobicContact CG-CD1 4.25Å |
| 541 | T | 90.5 | Very high | 80.4 | Confident | 37 Ų | 37 | 49 Ų | 49 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141.8 | 171.6 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | P552 L662 A664 | T541-P552 HydrophobicContact CG2-CB 3.82Å; T541-P552 HydrophobicContact CG2-CG 3.91Å; T541-L662 PolarHBondContact N-O 2.94Å; T541-A664 PolarHBondContact O-N 2.99Å |
| 542 | A | 87 | Confident | 80.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L540 F544 H548 S549 I580 I584 A664 | L540-A542 HydrophobicContact CD2-CB 4.26Å; A542-F544 HydrophobicContact CB-CE2 4.05Å; A542-F544 HydrophobicContact CB-CZ 4.21Å; A542-H548 CarbonylContact O-C 3.4Å; A542-H548 WeakPolarHBondContact O-CA 3.32Å; A542-S549 PolarHBondContact N-OG 3.44Å; A542-S549 PolarHBondContact O-N 2.92Å; A542-S549 PolarHBondContact O-OG 3.18Å; A542-I580 HydrophobicContact CB-CG2 3.5Å; A542-I584 HydrophobicContact CB-CD1 3.96Å; A542-A664 CarbonylContact C-O 3.16Å; A542-A664 VanDerWaalsContact CA-O 3.26Å; A542-A664 WeakPolarHBondContact CA-O 3.36Å; A542-A664 HydrophobicContact CB-CB 4.32Å |
| 543 | R | 85.2 | Confident | 81 | Confident | 126 Ų | 126 | 49.6 Ų | 49.6 | 48% | 0.475 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 88.9 | -174.7 | -66 | 178.8 | 174.3 | 152.8 | -1.8 | 111.3 | E663 A664 F665 S666 | R543-E663 IonicContact CZ-OE1 3.09Å; R543-E663 IonicContact NE-OE1 2.76Å; R543-E663 IonicContact NH1-OE1 3.32Å; R543-E663 PolarHBondContact NH1-OE1 3.42Å; R543-A664 PolarHBondContact N-O 3.07Å; R543-F665 HydrophobicContact CB-CB 4.37Å; R543-F665 VanDerWaalsContact O-CA 3.3Å; R543-F665 WeakPolarHBondContact O-CA 3.48Å; R543-S666 PolarHBondContact O-N 2.98Å |
| 544 | F | 82.9 | Confident | 81.2 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 93.8 | -175.9 | -59 | -41.2 | 0 | 0 | 0 | 110.5 | A542 S546 E547 I580 I584 F639 A664 L670 L672 | A542-F544 HydrophobicContact CB-CE2 4.05Å; A542-F544 HydrophobicContact CB-CZ 4.21Å; F544-S546 PolarHBondContact O-N 2.79Å; F544-S546 VanDerWaalsContact O-N 3.15Å; F544-E547 PolarHBondContact N-O 2.74Å; F544-E547 PolarHBondContact O-N 3.49Å; F544-I580 HydrophobicContact CD2-CG1 4.46Å; F544-I580 HydrophobicContact CD2-CG2 4.32Å; F544-I580 HydrophobicContact CE2-CG2 4.05Å; F544-I584 HydrophobicContact CE2-CG1 4.48Å; F544-F639 HydrophobicContact CD1-CB 4.41Å; F544-F639 HydrophobicContact CE1-CB 3.99Å; F544-F639 AromaticContact CE1-CD2 3.65Å; F544-F639 HydrophobicContact CE1-CD2 3.65Å; F544-F639 HydrophobicContact CE1-CE2 4.35Å; F544-F639 HydrophobicContact CE1-CG 4.03Å; F544-F639 AromaticContact CZ-CD2 3.97Å; F544-F639 HydrophobicContact CZ-CD2 3.97Å; F544-F639 HydrophobicContact CZ-CE2 4.22Å; F544-A664 HydrophobicContact CE1-CB 4.06Å; F544-A664 HydrophobicContact CZ-CB 3.91Å; F544-L670 HydrophobicContact CB-CD1 3.71Å; F544-L670 HydrophobicContact CD1-CD1 3.41Å; F544-L670 VanDerWaalsContact CD1-CD1 3.41Å; F544-L670 HydrophobicContact CE1-CD1 4.19Å; F544-L670 HydrophobicContact CG-CD1 3.69Å; F544-L672 HydrophobicContact CB-CD2 3.95Å; F544-L672 HydrophobicContact CD2-CD1 4.32Å; F544-L672 HydrophobicContact CD2-CD2 3.55Å; F544-L672 HydrophobicContact CE2-CD2 4.32Å; F544-L672 HydrophobicContact CG-CD2 3.99Å |
| 545 | G | 72.7 | Confident | 81.5 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -115.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H548 | G545-H548 PolarHBondContact O-CE1 3.29Š|
| 546 | S | 68.8 | Low | 81.6 | Confident | 104 Ų | 104 | 52.3 Ų | 52.3 | 73% | 0.727 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6.2 | 175.3 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | F544 | F544-S546 PolarHBondContact O-N 2.79Å; F544-S546 VanDerWaalsContact O-N 3.15Å |
| 547 | E | 67.9 | Low | 81.7 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133.5 | 180 | -65.3 | -171.2 | -151.1 | 0 | 0 | 110.4 | F544 I580 L672 | F544-E547 PolarHBondContact N-O 2.74Å; F544-E547 PolarHBondContact O-N 3.49Å; E547-I580 HydrophobicContact CB-CD1 4.46Å; E547-L672 HydrophobicContact CB-CD1 4.31Å; E547-L672 WeakPolarHBondContact OE2-CD1 3.35Å |
| 548 | H | 69.8 | Low | 81.7 | Confident | 111 Ų | 111 | 51.7 Ų | 51.7 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.6 | -172.5 | -61.7 | -12.6 | 0 | 0 | 0 | 109.9 | A542 G545 S550 I580 | A542-H548 CarbonylContact O-C 3.4Å; A542-H548 WeakPolarHBondContact O-CA 3.32Å; G545-H548 PolarHBondContact O-CE1 3.29Å; H548-S550 PolarHBondContact O-N 3.01Å; H548-I580 VanDerWaalsContact C-CD1 3.42Å |
| 549 | S | 63.2 | Low | 81.5 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | trans | -59.7 | 119.7 | 175.3 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | A542 S551 | A542-S549 PolarHBondContact N-OG 3.44Å; A542-S549 PolarHBondContact O-N 2.92Å; A542-S549 PolarHBondContact O-OG 3.18Å; S549-S551 WeakPolarHBondContact CB-O 3Å; S549-S551 PolarHBondContact O-N 2.99Å | ||
| 550 | S | 62.7 | Low | 81.1 | Confident | 125 Ų | 125 | 51.7 Ų | 51.7 | 87% | 0.874 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -63.3 | -29 | -173.9 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | H548 | H548-S550 PolarHBondContact O-N 3.01Š|
| 551 | S | 67.7 | Low | 80.5 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 49% | 0.49 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -134.6 | 156.3 | 163.9 | 56 | 0 | 0 | 0 | 0 | 109.1 | S549 | S549-S551 WeakPolarHBondContact CB-O 3Å; S549-S551 PolarHBondContact O-N 2.99Å |
| 552 | P | 80.5 | Confident | 79.8 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 143.4 | 165.3 | -16 | 29.7 | 0 | 0 | 0 | 110.5 | L540 T541 | L540-P552 CarbonylContact O-C 3.57Å; L540-P552 WeakPolarHBondContact O-CA 3.36Å; T541-P552 HydrophobicContact CG2-CB 3.82Å; T541-P552 HydrophobicContact CG2-CG 3.91Å |
| 553 | L | 85.4 | Confident | 78.9 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 145.7 | 168.1 | -62.7 | 174 | 0 | 0 | 0 | 109 | S539 L540 I571 Y581 I584 | S539-L553 CarbonylContact C-O 3.59Å; S539-L553 VanDerWaalsContact CA-O 3.29Å; S539-L553 WeakPolarHBondContact CA-O 3.28Å; L540-L553 HydrophobicContact CB-CB 4.35Å; L540-L553 PolarHBondContact N-O 3.16Å; L540-L553 PolarHBondContact O-N 2.89Å; L553-I571 HydrophobicContact CB-CG2 3.8Å; L553-I571 HydrophobicContact CD1-CG2 4.01Å; L553-I571 HydrophobicContact CG-CG2 4.45Å; L553-Y581 HydrophobicContact CD1-CD2 3.86Å; L553-I584 HydrophobicContact CD1-CD1 4.16Å |
| 554 | H | 87.9 | Confident | 77.7 | Confident | 134 Ų | 134 | 52.2 Ų | 52.2 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 143.2 | 174.8 | -81.1 | -77.8 | 0 | 0 | 0 | 110.6 | I571 R572 | H554-I571 CarbonylContact O-C 3.47Å; H554-I571 WeakPolarHBondContact O-CA 3.41Å; H554-R572 HydrophobicContact CB-CB 4.2Å; H554-R572 PolarHBondContact N-O 2.8Å; H554-R572 PolarHBondContact O-N 3.19Å |
| 555 | I | 93.3 | Very high | 77.1 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 156.3 | 176.4 | 56.1 | 172.9 | 0 | 0 | 0 | 111.7 | S537 G538 S539 L540 G570 I571 I660 L662 | S537-I555 WeakPolarHBondContact CA-O 3.25Å; G538-I555 PolarHBondContact N-O 3.09Å; G538-I555 VanDerWaalsContact N-O 3.16Å; G538-I555 WeakPolarHBondContact O-CG1 3.41Å; G538-I555 PolarHBondContact O-N 3.05Å; S539-I555 WeakPolarHBondContact O-CD1 3.11Å; L540-I555 HydrophobicContact CB-CG2 3.77Å; L540-I555 HydrophobicContact CD1-CG2 4.43Å; I555-G570 VanDerWaalsContact CA-O 3.25Å; I555-G570 WeakPolarHBondContact CA-O 3.47Å; I555-G570 WeakPolarHBondContact CB-O 3.47Å; I555-I571 HydrophobicContact CG2-CB 4.39Å; I555-I571 HydrophobicContact CG2-CG1 4.13Å; I555-I571 HydrophobicContact CG2-CG2 4.26Å; I555-I660 HydrophobicContact CD1-CG1 4.11Å; I555-I660 HydrophobicContact CD1-CG2 4.1Å; I555-I660 WeakPolarHBondContact CD1-O 3.08Å; I555-I660 HydrophobicContact CG1-CG2 4.2Å; I555-L662 HydrophobicContact CD1-CB 4.06Å; I555-L662 HydrophobicContact CD1-CD1 3.67Å; I555-L662 HydrophobicContact CD1-CG 3.47Å; I555-L662 VanDerWaalsContact CD1-CG 3.47Å; I555-L662 HydrophobicContact CG2-CD1 4.44Å |
| 556 | Y | 92.2 | Very high | 77.2 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 12% | 0.122 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 158.3 | 179.5 | 79.4 | -78.5 | 0 | 0 | 0 | 112.3 | F536 D558 S568 S569 G570 R572 F780 | F536-Y556 CarbonylContact O-C 3.46Å; F536-Y556 VanDerWaalsContact O-CA 3.26Å; F536-Y556 WeakPolarHBondContact O-CA 3.42Å; Y556-D558 VanDerWaalsContact CD2-OD2 3.29Å; Y556-D558 WeakPolarHBondContact CD2-OD2 3.4Å; Y556-S568 PolarHBondContact OH-OG 3.1Å; Y556-S569 CarbonylContact O-C 3.56Å; Y556-S569 WeakPolarHBondContact O-CA 3.43Å; Y556-S569 WeakPolarHBondContact O-CB 3.49Å; Y556-G570 PolarHBondContact N-O 3.07Å; Y556-G570 PolarHBondContact O-N 3.15Å; Y556-R572 HydrophobicContact CD1-CG 4.15Å; Y556-R572 HydrophobicContact CE1-CG 4.42Å; Y556-F780 WeakPolarHBondContact OH-CB 3.36Å |
| 557 | L | 93.3 | Very high | 78 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 114 | 171.9 | 163.1 | 70.8 | 0 | 0 | 0 | 109 | S535 F536 I559 S568 L594 N595 L645 | S535-L557 CarbonylContact C-O 3.56Å; F536-L557 HydrophobicContact CB-CB 4.19Å; F536-L557 HydrophobicContact CD2-CB 4.4Å; F536-L557 HydrophobicContact CD2-CD2 3.83Å; F536-L557 HydrophobicContact CD2-CG 4.02Å; F536-L557 HydrophobicContact CE2-CD2 4.32Å; F536-L557 HydrophobicContact CG-CD2 4.33Å; F536-L557 PolarHBondContact N-O 3.48Å; F536-L557 PolarHBondContact O-N 3.11Å; L557-I559 HydrophobicContact CD1-CD1 4.03Å; L557-I559 HydrophobicContact CD1-CG1 3.81Å; L557-I559 HydrophobicContact CD2-CD1 4.35Å; L557-I559 HydrophobicContact CG-CD1 4.27Å; L557-I559 HydrophobicContact CG-CG1 4.17Å; L557-S568 CarbonylContact C-O 3.57Å; L557-S568 WeakPolarHBondContact CA-O 3.31Å; L557-L594 HydrophobicContact CD1-CB 4.13Å; L557-L594 HydrophobicContact CD2-CB 4.06Å; L557-N595 WeakPolarHBondContact CD1-OD1 3.46Å; L557-L645 HydrophobicContact CD2-CD2 3.89Å |
| 558 | D | 89.4 | Confident | 79 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121 | 178.4 | -64.4 | -48.9 | 0 | 0 | 0 | 109.8 | F534 S535 Y556 S567 S568 | F534-D558 CarbonylContact O-C 3.52Å; F534-D558 WeakPolarHBondContact O-CA 3.38Å; S535-D558 VanDerWaalsContact CB-OD1 3.22Å; S535-D558 WeakPolarHBondContact CB-OD1 3.48Å; S535-D558 PolarHBondContact OG-OD1 3.15Å; Y556-D558 VanDerWaalsContact CD2-OD2 3.29Å; Y556-D558 WeakPolarHBondContact CD2-OD2 3.4Å; D558-S567 CarbonylContact O-C 3.48Å; D558-S567 WeakPolarHBondContact O-CA 3.41Å; D558-S568 PolarHBondContact N-O 3.4Å; D558-S568 PolarHBondContact O-N 2.98Å |
| 559 | I | 87.5 | Confident | 80 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124 | -179.5 | -53.6 | 177.3 | 0 | 0 | 0 | 109.5 | K533 F534 L557 M597 I598 | K533-I559 CarbonylContact C-O 3.58Å; K533-I559 WeakPolarHBondContact CA-O 3.37Å; F534-I559 HydrophobicContact CB-CB 4.37Å; F534-I559 PolarHBondContact N-O 3.13Å; F534-I559 PolarHBondContact O-N 3.09Å; L557-I559 HydrophobicContact CD1-CD1 4.03Å; L557-I559 HydrophobicContact CD1-CG1 3.81Å; L557-I559 HydrophobicContact CD2-CD1 4.35Å; L557-I559 HydrophobicContact CG-CD1 4.27Å; L557-I559 HydrophobicContact CG-CG1 4.17Å; I559-M597 HydrophobicContact CD1-CB 4.14Å; I559-I598 HydrophobicContact CD1-CD1 4.28Å; I559-I598 HydrophobicContact CD1-CG1 4.11Å; I559-I598 HydrophobicContact CG2-CB 4.2Å; I559-I598 HydrophobicContact CG2-CD1 4.23Å; I559-I598 HydrophobicContact CG2-CG1 4.38Å |
| 560 | Q | 83.1 | Confident | 81.3 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.7 | 165.7 | -172.9 | 171.8 | -17.1 | 0 | 0 | 109.6 | H532 K533 R566 | H532-Q560 WeakPolarHBondContact O-CA 3.28Å; K533-Q560 HydrophobicContact CG-CB 4.29Å; K533-Q560 HydrophobicContact CG-CG 4.01Å; Q560-R566 PolarHBondContact N-O 3.39Å; Q560-R566 PolarHBondContact O-N 2.04Å |
| 561 | H | 79.4 | Confident | 82.6 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.9 | -175.3 | -174.7 | 108.1 | 0 | 0 | 0 | 110 | F518 D531 H532 I598 S600 | F518-H561 AromaticContact CE1-CD2 3.55Å; F518-H561 AromaticContact CE1-NE2 3.55Å; F518-H561 AromaticContact CZ-CD2 3.94Å; D531-H561 CarbonylContact C-O 3.54Å; D531-H561 WeakPolarHBondContact CA-O 3.29Å; H532-H561 PolarHBondContact N-O 2.62Å; H532-H561 PolarHBondContact O-N 3.47Å; H561-I598 HydrophobicContact CB-CG2 4.26Å; H561-I598 PolarHBondContact CE1-O 3.3Å; H561-I598 WeakPolarHBondContact ND1-CG2 2.69Å; H561-I598 PolarHBondContact ND1-O 3.38Å; H561-S600 PolarHBondContact CE1-OG 2.97Å; H561-S600 PolarHBondContact NE2-OG 3.19Å |
| 562 | G | 75.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 141.4 | -127.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N530 R565 | N530-G562 VanDerWaalsContact O-CA 3.26Å; N530-G562 WeakPolarHBondContact O-CA 3.41Å; G562-R565 WeakPolarHBondContact O-CG 3.44Å; G562-R565 PolarHBondContact O-NE 3.3Å; G562-R565 VanDerWaalsContact O-NE 3.08Å |
| 563 | S | 67.6 | Low | 83.3 | Confident | 95 Ų | 95 | 41.1 Ų | 41.1 | 66% | 0.664 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -71.9 | -32.1 | 172.5 | 84.3 | 0 | 0 | 0 | 0 | 111.8 | D531 | D531-S563 PolarHBondContact OD1-N 3.21Å; D531-S563 PolarHBondContact OD1-OG 3.18Å; D531-S563 WeakPolarHBondContact OD2-CB 3.45Å; D531-S563 PolarHBondContact OD2-OG 3.07Å |
| 564 | L | 60.9 | Low | 83 | Confident | 74 Ų | 74 | 40.2 Ų | 40.2 | 39% | 0.387 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -110.1 | 119.8 | 169 | -163.6 | 75.1 | 0 | 0 | 0 | 109.9 | E254 D531 | E254-L564 HydrophobicContact CG-CD2 4.05Å; D531-L564 PolarHBondContact OD1-N 3.14Å |
| 565 | R | 71.2 | Confident | 82.5 | Confident | 77 Ų | 77 | 36.7 Ų | 36.7 | 29% | 0.291 | 18% | 0.182 | S | C | . | . | trans | -112 | 114.3 | -175.3 | -58.5 | 175.8 | -170.7 | 172.8 | -1.1 | 109.5 | G562 E784 | G562-R565 WeakPolarHBondContact O-CG 3.44Å; G562-R565 PolarHBondContact O-NE 3.3Å; G562-R565 VanDerWaalsContact O-NE 3.08Å; R565-E784 HydrophobicContact CB-CG 4.11Å; R565-E784 WeakPolarHBondContact O-CG 3.45Å | ||
| 566 | R | 74.8 | Confident | 81.4 | Confident | 140 Ų | 140 | 39.1 Ų | 39.1 | 53% | 0.528 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 132.7 | 178.1 | -174.6 | 175.8 | -179.2 | 178.9 | -0.9 | 111.1 | Q560 V782 | Q560-R566 PolarHBondContact N-O 3.39Å; Q560-R566 PolarHBondContact O-N 2.04Å; R566-V782 HydrophobicContact CG-CG1 4.32Å |
| 567 | S | 83.9 | Confident | 80.4 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 154.5 | 171.9 | 39.1 | 0 | 0 | 0 | 0 | 112.1 | D558 N595 V782 D783 | D558-S567 CarbonylContact O-C 3.48Å; D558-S567 WeakPolarHBondContact O-CA 3.41Å; S567-N595 WeakPolarHBondContact CB-O 3.33Å; S567-N595 WeakPolarHBondContact OG-CB 3.26Å; S567-N595 PolarHBondContact OG-O 2.83Å; S567-V782 CarbonylContact O-C 3.56Å; S567-V782 WeakPolarHBondContact O-CA 3.02Å; S567-D783 PolarHBondContact N-O 2.98Å; S567-D783 PolarHBondContact O-N 2.66Å |
| 568 | S | 88.7 | Confident | 79.8 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 145.7 | 171.2 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | Y556 L557 D558 C781 | Y556-S568 PolarHBondContact OH-OG 3.1Å; L557-S568 CarbonylContact C-O 3.57Å; L557-S568 WeakPolarHBondContact CA-O 3.31Å; D558-S568 PolarHBondContact N-O 3.4Å; D558-S568 PolarHBondContact O-N 2.98Å; S568-C781 CarbonylContact C-O 3.55Å; S568-C781 WeakPolarHBondContact CA-O 3.15Å; S568-C781 WeakPolarHBondContact CB-O 3.05Å; S568-C781 PolarHBondContact OG-O 3.26Å |
| 569 | S | 90.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 167.4 | 174.3 | 50.1 | 0 | 0 | 0 | 0 | 110.8 | Y556 F591 N595 F780 C781 | Y556-S569 CarbonylContact O-C 3.56Å; Y556-S569 WeakPolarHBondContact O-CA 3.43Å; Y556-S569 WeakPolarHBondContact O-CB 3.49Å; S569-F591 WeakPolarHBondContact OG-CB 3.46Å; S569-F591 PolarHBondContact OG-O 2.61Å; S569-N595 VanDerWaalsContact CB-OD1 3.32Å; S569-N595 WeakPolarHBondContact CB-OD1 3.31Å; S569-N595 PolarHBondContact N-OD1 2.96Å; S569-N595 PolarHBondContact OG-OD1 3.13Å; S569-F780 CarbonylContact O-C 3.51Å; S569-F780 WeakPolarHBondContact O-CA 3.09Å; S569-C781 PolarHBondContact N-O 3.12Å; S569-C781 PolarHBondContact O-N 2.83Å |
| 570 | G | 90.9 | Very high | 79.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | -167.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | I555 Y556 L779 | I555-G570 VanDerWaalsContact CA-O 3.25Å; I555-G570 WeakPolarHBondContact CA-O 3.47Å; I555-G570 WeakPolarHBondContact CB-O 3.47Å; Y556-G570 PolarHBondContact N-O 3.07Å; Y556-G570 PolarHBondContact O-N 3.15Å; G570-L779 CarbonylContact C-O 3.59Å; G570-L779 WeakPolarHBondContact CA-O 3.11Å |
| 571 | I | 89.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139 | -178.1 | -44.8 | -179.9 | 0 | 0 | 0 | 108.7 | L540 L553 H554 I555 Y581 I584 F591 N778 L779 | L540-I571 HydrophobicContact CD1-CD1 3.95Å; L553-I571 HydrophobicContact CB-CG2 3.8Å; L553-I571 HydrophobicContact CD1-CG2 4.01Å; L553-I571 HydrophobicContact CG-CG2 4.45Å; H554-I571 CarbonylContact O-C 3.47Å; H554-I571 WeakPolarHBondContact O-CA 3.41Å; I555-I571 HydrophobicContact CG2-CB 4.39Å; I555-I571 HydrophobicContact CG2-CG1 4.13Å; I555-I571 HydrophobicContact CG2-CG2 4.26Å; I571-Y581 HydrophobicContact CD1-CE2 4.3Å; I571-Y581 HydrophobicContact CG2-CE2 4.27Å; I571-I584 HydrophobicContact CD1-CG2 3.33Å; I571-F591 HydrophobicContact CD1-CE2 4.02Å; I571-F591 HydrophobicContact CD1-CZ 3.95Å; I571-F591 HydrophobicContact CG1-CE1 4.47Å; I571-F591 HydrophobicContact CG1-CE2 3.81Å; I571-F591 HydrophobicContact CG1-CZ 3.45Å; I571-F591 VanDerWaalsContact CG1-CZ 3.45Å; I571-N778 CarbonylContact O-C 3.24Å; I571-N778 WeakPolarHBondContact O-CA 3.49Å; I571-L779 HydrophobicContact CB-CB 4.35Å; I571-L779 HydrophobicContact CD1-CD2 4.04Å; I571-L779 HydrophobicContact CG1-CD2 4.36Å; I571-L779 PolarHBondContact N-O 3.32Å; I571-L779 PolarHBondContact O-N 3.19Å |
| 572 | R | 84.6 | Confident | 79.5 | Confident | 124 Ų | 124 | 48.1 Ų | 48.1 | 47% | 0.468 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.7 | 175.7 | -58.3 | -175.6 | -173.5 | -152.7 | 4.7 | 110.8 | H554 Y556 N778 | H554-R572 HydrophobicContact CB-CB 4.2Å; H554-R572 PolarHBondContact N-O 2.8Å; H554-R572 PolarHBondContact O-N 3.19Å; Y556-R572 HydrophobicContact CD1-CG 4.15Å; Y556-R572 HydrophobicContact CE1-CG 4.42Å; R572-N778 VanDerWaalsContact CA-OD1 3.27Å; R572-N778 WeakPolarHBondContact CA-OD1 3.36Å; R572-N778 WeakPolarHBondContact CB-OD1 3.14Å |
| 573 | G | 78.3 | Confident | 80.1 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.4 | 19 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | C777 N778 | G573-C777 PolarHBondContact N-O 3.2Å; G573-N778 PolarHBondContact N-OD1 3.12Å |
| 574 | G | 78.9 | Confident | 81 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 122.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y581 S776 C777 | G574-Y581 VanDerWaalsContact C-CD1 3.48Å; G574-Y581 WeakPolarHBondContact O-CE1 3.23Å; G574-S776 CarbonylContact O-C 3.49Å; G574-C777 PolarHBondContact N-O 3.32Å; G574-C777 WeakPolarHBondContact O-CB 3.43Å; G574-C777 PolarHBondContact O-N 3.1Å |
| 575 | Q | 78.9 | Confident | 82.1 | Confident | 60 Ų | 60 | 40.5 Ų | 40.5 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 125.2 | -174.1 | -79 | -79.3 | -23.6 | 0 | 0 | 112.3 | N577 D578 Y581 D774 | Q575-N577 PolarHBondContact O-N 3.39Å; Q575-N577 VanDerWaalsContact O-N 3.17Å; Q575-D578 HydrophobicContact CB-CB 4.29Å; Q575-D578 WeakPolarHBondContact O-CB 3.43Å; Q575-D578 PolarHBondContact O-N 2.58Å; Q575-Y581 WeakPolarHBondContact O-CD1 3.47Å; Q575-D774 PolarHBondContact NE2-O 3.22Å; Q575-D774 PolarHBondContact NE2-OD2 2.98Å |
| 576 | T | 69 | Low | 82.8 | Confident | 57 Ų | 57 | 36.9 Ų | 36.9 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -36.5 | -179.4 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | D578 S582 C777 | T576-D578 VanDerWaalsContact C-N 3.27Å; T576-D578 PolarHBondContact O-N 3.09Å; T576-S582 PolarHBondContact O-OG 3.24Å; T576-C777 WeakPolarHBondContact CG2-SG 3.11Å |
| 577 | N | 72.6 | Confident | 83.5 | Confident | 142 Ų | 142 | 30.2 Ų | 30.2 | 76% | 0.759 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -7.4 | -178.4 | -58.3 | -67.2 | 0 | 0 | 0 | 113.6 | Q575 | Q575-N577 PolarHBondContact O-N 3.39Å; Q575-N577 VanDerWaalsContact O-N 3.17Å |
| 578 | D | 79.8 | Confident | 83.6 | Confident | 50 Ų | 50 | 30.3 Ų | 30.3 | 27% | 0.267 | 15% | 0.154 | S | C | . | . | trans | -85.2 | 117.5 | 175.9 | -171 | -5.6 | 0 | 0 | 0 | 110.2 | Q575 T576 I580 Y581 S582 | Q575-D578 HydrophobicContact CB-CB 4.29Å; Q575-D578 WeakPolarHBondContact O-CB 3.43Å; Q575-D578 PolarHBondContact O-N 2.58Å; T576-D578 VanDerWaalsContact C-N 3.27Å; T576-D578 PolarHBondContact O-N 3.09Å; D578-I580 PolarHBondContact O-N 2.91Å; D578-I580 VanDerWaalsContact OD1-CB 3.28Å; D578-I580 WeakPolarHBondContact OD1-CB 3.39Å; D578-I580 PolarHBondContact OD1-N 2.88Å; D578-Y581 PolarHBondContact O-N 2.71Å; D578-Y581 VanDerWaalsContact O-N 3.11Å; D578-S582 PolarHBondContact O-N 2.92Å | ||
| 579 | R | 82.3 | Confident | 83.4 | Confident | 117 Ų | 117 | 29.3 Ų | 29.3 | 44% | 0.442 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -57.6 | -32.5 | 175 | -58.1 | 177.6 | 174.6 | -108.3 | -23.4 | 111.7 | T583 L672 D674 | R579-T583 WeakPolarHBondContact O-CB 3.05Å; R579-T583 PolarHBondContact O-N 3.45Å; R579-T583 PolarHBondContact O-OG1 2.87Å; R579-L672 HydrophobicContact CB-CB 3.83Å; R579-L672 HydrophobicContact CB-CD1 4.06Å; R579-D674 WeakPolarHBondContact CG-OD1 3.19Å; R579-D674 IonicContact CZ-OD1 2.68Å; R579-D674 IonicContact CZ-OD2 3.52Å; R579-D674 IonicContact NE-OD1 3.73Å; R579-D674 PolarHBondContact NE-OD1 2.75Å; R579-D674 VanDerWaalsContact NH1-CG 3.32Å; R579-D674 IonicContact NH1-OD1 2.88Å; R579-D674 PolarHBondContact NH1-OD1 2.66Å; R579-D674 IonicContact NH1-OD2 3.84Å; R579-D674 PolarHBondContact NH1-OD2 2.88Å; R579-D674 IonicContact NH2-OD1 2.75Å; R579-D674 PolarHBondContact NH2-OD1 3.2Å; R579-D674 IonicContact NH2-OD2 3.42Å; R579-D674 PolarHBondContact NH2-OD2 3.07Å |
| 580 | I | 83.7 | Confident | 83.4 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.5 | -48.1 | 176.9 | -63.1 | 172.5 | 0 | 0 | 0 | 109.1 | A542 F544 E547 H548 D578 T583 I584 L672 | A542-I580 HydrophobicContact CB-CG2 3.5Å; F544-I580 HydrophobicContact CD2-CG1 4.46Å; F544-I580 HydrophobicContact CD2-CG2 4.32Å; F544-I580 HydrophobicContact CE2-CG2 4.05Å; E547-I580 HydrophobicContact CB-CD1 4.46Å; H548-I580 VanDerWaalsContact C-CD1 3.42Å; D578-I580 PolarHBondContact O-N 2.91Å; D578-I580 VanDerWaalsContact OD1-CB 3.28Å; D578-I580 WeakPolarHBondContact OD1-CB 3.39Å; D578-I580 PolarHBondContact OD1-N 2.88Å; I580-T583 PolarHBondContact O-N 3.03Å; I580-I584 HydrophobicContact CG2-CD1 3.63Å; I580-I584 HydrophobicContact CG2-CG1 4.49Å; I580-I584 WeakPolarHBondContact O-CB 3.34Å; I580-I584 WeakPolarHBondContact O-CD1 3.35Å; I580-I584 WeakPolarHBondContact O-CG1 3.46Å; I580-I584 PolarHBondContact O-N 3.32Å; I580-L672 HydrophobicContact CG1-CD1 3.67Å |
| 581 | Y | 85.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 175.9 | -177.7 | -118.2 | 0 | 0 | 0 | 112.4 | L553 I571 G574 Q575 D578 T583 I584 R585 C777 L779 | L553-Y581 HydrophobicContact CD1-CD2 3.86Å; I571-Y581 HydrophobicContact CD1-CE2 4.3Å; I571-Y581 HydrophobicContact CG2-CE2 4.27Å; G574-Y581 VanDerWaalsContact C-CD1 3.48Å; G574-Y581 WeakPolarHBondContact O-CE1 3.23Å; Q575-Y581 WeakPolarHBondContact O-CD1 3.47Å; D578-Y581 PolarHBondContact O-N 2.71Å; D578-Y581 VanDerWaalsContact O-N 3.11Å; Y581-T583 PolarHBondContact O-N 3.09Å; Y581-I584 CarbonylContact O-C 3.5Å; Y581-I584 WeakPolarHBondContact O-CA 3.48Å; Y581-I584 WeakPolarHBondContact O-CB 3.34Å; Y581-I584 PolarHBondContact O-N 2.77Å; Y581-R585 HydrophobicContact CE1-CG 4.41Å; Y581-R585 PolarHBondContact O-N 3.21Å; Y581-C777 HydrophobicContact CE1-CB 3.93Å; Y581-L779 WeakPolarHBondContact OH-CB 3.28Å |
| 582 | S | 82.8 | Confident | 83.3 | Confident | 8 Ų | 8 | 29.6 Ų | 29.6 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -30.8 | 177.2 | -71.6 | 0 | 0 | 0 | 0 | 113.1 | T576 D578 L673 | T576-S582 PolarHBondContact O-OG 3.24Å; D578-S582 PolarHBondContact O-N 2.92Å; S582-L673 WeakPolarHBondContact CB-O 3.2Å |
| 583 | T | 86.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -76.4 | -38.1 | 171 | -51 | 0 | 0 | 0 | 0 | 111.9 | R579 I580 Y581 R585 L586 I633 V636 L672 L673 | R579-T583 WeakPolarHBondContact O-CB 3.05Å; R579-T583 PolarHBondContact O-N 3.45Å; R579-T583 PolarHBondContact O-OG1 2.87Å; I580-T583 PolarHBondContact O-N 3.03Å; Y581-T583 PolarHBondContact O-N 3.09Å; T583-R585 VanDerWaalsContact C-N 3.27Å; T583-R585 PolarHBondContact O-N 3.31Å; T583-L586 PolarHBondContact O-N 2.81Å; T583-I633 HydrophobicContact CG2-CD1 4.38Å; T583-V636 HydrophobicContact CG2-CG1 4.26Å; T583-L672 HydrophobicContact CG2-CD2 4.14Å; T583-L672 WeakPolarHBondContact OG1-CA 3.02Å; T583-L673 PolarHBondContact OG1-N 3.16Å |
| 584 | I | 86.4 | Confident | 84 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.4 | -26.1 | 176.3 | -74.7 | 163.4 | 0 | 0 | 0 | 112.6 | L540 A542 F544 L553 I571 I580 Y581 L586 I587 | L540-I584 HydrophobicContact CD1-CG2 3.86Å; L540-I584 HydrophobicContact CD2-CD1 3.68Å; L540-I584 HydrophobicContact CD2-CG1 4.48Å; A542-I584 HydrophobicContact CB-CD1 3.96Å; F544-I584 HydrophobicContact CE2-CG1 4.48Å; L553-I584 HydrophobicContact CD1-CD1 4.16Å; I571-I584 HydrophobicContact CD1-CG2 3.33Å; I580-I584 HydrophobicContact CG2-CD1 3.63Å; I580-I584 HydrophobicContact CG2-CG1 4.49Å; I580-I584 WeakPolarHBondContact O-CB 3.34Å; I580-I584 WeakPolarHBondContact O-CD1 3.35Å; I580-I584 WeakPolarHBondContact O-CG1 3.46Å; I580-I584 PolarHBondContact O-N 3.32Å; Y581-I584 CarbonylContact O-C 3.5Å; Y581-I584 WeakPolarHBondContact O-CA 3.48Å; Y581-I584 WeakPolarHBondContact O-CB 3.34Å; Y581-I584 PolarHBondContact O-N 2.77Å; I584-L586 PolarHBondContact O-N 2.99Å; I584-I587 HydrophobicContact CG2-CD1 4.04Å; I584-I587 HydrophobicContact CG2-CG1 4.29Å; I584-I587 VanDerWaalsContact O-CG1 3.29Å; I584-I587 WeakPolarHBondContact O-CG1 3.47Å; I584-I587 WeakPolarHBondContact O-CG2 3.36Å; I584-I587 PolarHBondContact O-N 3.38Å |
| 585 | R | 85.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 22.3 Ų | 22.3 | 3% | 0.03 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -53.5 | -24.5 | 174.5 | -72 | 175.4 | 179 | -139.3 | -7.2 | 113.8 | Y581 T583 I587 E715 E768 | Y581-R585 HydrophobicContact CE1-CG 4.41Å; Y581-R585 PolarHBondContact O-N 3.21Å; T583-R585 VanDerWaalsContact C-N 3.27Å; T583-R585 PolarHBondContact O-N 3.31Å; R585-I587 PolarHBondContact O-N 3.16Å; R585-E715 IonicContact NH1-OE2 2.84Å; R585-E715 PolarHBondContact NH1-OE2 2.02Å; R585-E768 IonicContact CZ-OE1 3.7Å; R585-E768 IonicContact CZ-OE2 3.61Å; R585-E768 IonicContact NE-OE2 3.19Å; R585-E768 PolarHBondContact NE-OE2 3.09Å; R585-E768 IonicContact NH1-OE1 3.75Å; R585-E768 PolarHBondContact NH1-OE1 2.7Å; R585-E768 IonicContact NH1-OE2 3.65Å; R585-E768 PolarHBondContact NH1-OE2 2.76Å; R585-E768 IonicContact NH2-OE1 2.69Å; R585-E768 PolarHBondContact NH2-OE1 3.25Å; R585-E768 IonicContact NH2-OE2 2.77Å; R585-E768 PolarHBondContact NH2-OE2 2.55Å |
| 586 | L | 86.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -74.6 | 0.3 | 177.4 | -60.9 | -179.4 | 0 | 0 | 0 | 114.9 | T583 I584 I633 L673 Y677 F712 V731 | T583-L586 PolarHBondContact O-N 2.81Å; I584-L586 PolarHBondContact O-N 2.99Å; L586-I633 HydrophobicContact CB-CD1 4.44Å; L586-I633 HydrophobicContact CD1-CD1 3.56Å; L586-I633 HydrophobicContact CD1-CG1 4.05Å; L586-I633 HydrophobicContact CD1-CG2 3.8Å; L586-L673 HydrophobicContact CD1-CD1 3.55Å; L586-L673 HydrophobicContact CG-CD1 4.31Å; L586-Y677 HydrophobicContact CD2-CG 4.33Å; L586-F712 HydrophobicContact CB-CZ 4.45Å; L586-F712 HydrophobicContact CD2-CB 3.8Å; L586-F712 HydrophobicContact CD2-CD1 3.34Å; L586-F712 HydrophobicContact CD2-CD2 4Å; L586-F712 HydrophobicContact CD2-CE1 3.8Å; L586-F712 HydrophobicContact CD2-CE2 4.38Å; L586-F712 HydrophobicContact CD2-CG 3.45Å; L586-F712 VanDerWaalsContact CD2-CG 3.45Å; L586-F712 HydrophobicContact CD2-CZ 4.29Å; L586-F712 WeakPolarHBondContact O-CZ 3.46Å; L586-V731 HydrophobicContact CB-CG2 4.24Å; L586-V731 HydrophobicContact CD1-CG2 4.14Å; L586-V731 HydrophobicContact CD2-CG2 4.19Å; L586-V731 HydrophobicContact CG-CG2 4.44Å |
| 587 | I | 87.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -92.6 | 11.9 | -176.2 | 83.5 | 171.9 | 0 | 0 | 0 | 114.2 | L540 I584 R585 P589 V590 F591 F631 F639 I641 L662 | L540-I587 HydrophobicContact CD1-CD1 3.82Å; I584-I587 HydrophobicContact CG2-CD1 4.04Å; I584-I587 HydrophobicContact CG2-CG1 4.29Å; I584-I587 VanDerWaalsContact O-CG1 3.29Å; I584-I587 WeakPolarHBondContact O-CG1 3.47Å; I584-I587 WeakPolarHBondContact O-CG2 3.36Å; I584-I587 PolarHBondContact O-N 3.38Å; R585-I587 PolarHBondContact O-N 3.16Å; I587-P589 WeakPolarHBondContact O-CD 3.44Å; I587-P589 VanDerWaalsContact O-N 3.08Å; I587-V590 HydrophobicContact CB-CG2 4.14Å; I587-V590 VanDerWaalsContact O-CB 3.24Å; I587-V590 WeakPolarHBondContact O-CB 3Å; I587-V590 WeakPolarHBondContact O-CG2 3.5Å; I587-V590 PolarHBondContact O-N 2.03Å; I587-F591 HydrophobicContact CD1-CE2 4.1Å; I587-F591 HydrophobicContact CD1-CZ 4.16Å; I587-F591 HydrophobicContact CG1-CD2 4.46Å; I587-F591 HydrophobicContact CG1-CE2 3.75Å; I587-F591 HydrophobicContact CG1-CZ 4.32Å; I587-F631 HydrophobicContact CB-CZ 4.4Å; I587-F639 HydrophobicContact CG2-CE2 4.09Å; I587-F639 HydrophobicContact CG2-CZ 3.8Å; I587-I641 HydrophobicContact CB-CD1 3.77Å; I587-I641 HydrophobicContact CD1-CD1 3.98Å; I587-I641 HydrophobicContact CG1-CD1 4.49Å; I587-I641 HydrophobicContact CG2-CD1 3.38Å; I587-L662 HydrophobicContact CD1-CD1 4.45Å |
| 588 | T | 85.8 | Confident | 86.4 | Confident | 4 Ų | 4 | 10.3 Ų | 10.3 | 3% | 0.025 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -49.1 | -31 | 177.1 | 49.5 | 0 | 0 | 0 | 0 | 115.6 | V590 F591 H592 E679 F712 C766 L779 | T588-V590 PolarHBondContact O-N 2.7Å; T588-F591 PolarHBondContact O-N 3.3Å; T588-H592 PolarHBondContact O-CD2 3.49Å; T588-H592 PolarHBondContact O-N 2.79Å; T588-H592 VanDerWaalsContact O-N 3.1Å; T588-E679 WeakPolarHBondContact CB-OE2 3.42Å; T588-E679 PolarHBondContact OG1-OE2 2.79Å; T588-F712 VanDerWaalsContact OG1-CZ 3.24Å; T588-F712 WeakPolarHBondContact OG1-CZ 3.48Å; T588-C766 VanDerWaalsContact CB-SG 3.57Å; T588-C766 HydrophobicContact CG2-CB 3.73Å; T588-C766 VanDerWaalsContact CG2-SG 3.51Å; T588-L779 HydrophobicContact CG2-CD1 4.42Å; T588-L779 HydrophobicContact CG2-CD2 4.44Å |
| 589 | P | 85.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -60.9 | -28 | 172.7 | -23 | 34.1 | 0 | 0 | 0 | 114.1 | I587 I593 F631 Y692 V710 W733 | I587-P589 WeakPolarHBondContact O-CD 3.44Å; I587-P589 VanDerWaalsContact O-N 3.08Å; P589-I593 WeakPolarHBondContact O-CG1 3.45Å; P589-I593 PolarHBondContact O-N 2.99Å; P589-I593 VanDerWaalsContact O-N 3.09Å; P589-F631 HydrophobicContact CG-CE1 4.46Å; P589-Y692 WeakPolarHBondContact CA-OH 3.35Å; P589-Y692 HydrophobicContact CB-CE1 4.07Å; P589-Y692 WeakPolarHBondContact CG-OH 3.46Å; P589-V710 HydrophobicContact CG-CB 4.29Å; P589-V710 HydrophobicContact CG-CG1 4.46Å; P589-V710 HydrophobicContact CG-CG2 3.95Å; P589-W733 HydrophobicContact CB-CD2 4.02Å; P589-W733 HydrophobicContact CB-CG 4.06Å; P589-W733 HydrophobicContact CB-CZ2 4.28Å; P589-W733 HydrophobicContact CG-CG 4.36Å |
| 590 | V | 90.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -62.3 | -50.2 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | I587 T588 H592 I593 L594 F629 F631 I641 L662 | I587-V590 HydrophobicContact CB-CG2 4.14Å; I587-V590 VanDerWaalsContact O-CB 3.24Å; I587-V590 WeakPolarHBondContact O-CB 3Å; I587-V590 WeakPolarHBondContact O-CG2 3.5Å; I587-V590 PolarHBondContact O-N 2.03Å; T588-V590 PolarHBondContact O-N 2.7Å; V590-H592 PolarHBondContact O-N 2.95Å; V590-I593 PolarHBondContact O-N 2.94Å; V590-L594 HydrophobicContact CG1-CD1 3.69Å; V590-L594 HydrophobicContact CG1-CG 4.13Å; V590-L594 WeakPolarHBondContact O-CB 3.42Å; V590-L594 WeakPolarHBondContact O-CG 3.46Å; V590-L594 PolarHBondContact O-N 2.92Å; V590-F629 HydrophobicContact CB-CE1 4.4Å; V590-F629 HydrophobicContact CB-CE2 4.43Å; V590-F629 HydrophobicContact CB-CZ 4.24Å; V590-F629 HydrophobicContact CG1-CD2 4.33Å; V590-F629 HydrophobicContact CG1-CE2 3.76Å; V590-F629 HydrophobicContact CG1-CZ 3.87Å; V590-F629 HydrophobicContact CG2-CD1 3.95Å; V590-F629 HydrophobicContact CG2-CD2 4.09Å; V590-F629 HydrophobicContact CG2-CE1 4.07Å; V590-F629 HydrophobicContact CG2-CE2 4.2Å; V590-F629 HydrophobicContact CG2-CG 3.97Å; V590-F629 HydrophobicContact CG2-CZ 4.19Å; V590-F631 HydrophobicContact CG2-CE2 3.77Å; V590-F631 HydrophobicContact CG2-CZ 3.77Å; V590-I641 HydrophobicContact CG2-CD1 3.99Å; V590-L662 HydrophobicContact CG1-CD2 4.46Å |
| 591 | F | 90.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 4 Ų | 4 | 0% | 0.004 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | -178.1 | -64.7 | -56.4 | 0 | 0 | 0 | 112.4 | S569 I571 I587 T588 L594 N595 L662 L779 C781 | S569-F591 WeakPolarHBondContact OG-CB 3.46Å; S569-F591 PolarHBondContact OG-O 2.61Å; I571-F591 HydrophobicContact CD1-CE2 4.02Å; I571-F591 HydrophobicContact CD1-CZ 3.95Å; I571-F591 HydrophobicContact CG1-CE1 4.47Å; I571-F591 HydrophobicContact CG1-CE2 3.81Å; I571-F591 HydrophobicContact CG1-CZ 3.45Å; I571-F591 VanDerWaalsContact CG1-CZ 3.45Å; I587-F591 HydrophobicContact CD1-CE2 4.1Å; I587-F591 HydrophobicContact CD1-CZ 4.16Å; I587-F591 HydrophobicContact CG1-CD2 4.46Å; I587-F591 HydrophobicContact CG1-CE2 3.75Å; I587-F591 HydrophobicContact CG1-CZ 4.32Å; T588-F591 PolarHBondContact O-N 3.3Å; F591-L594 HydrophobicContact CD1-CD1 4.08Å; F591-L594 HydrophobicContact CE1-CD1 4.46Å; F591-L594 PolarHBondContact O-N 2.92Å; F591-N595 VanDerWaalsContact O-CB 3.28Å; F591-N595 WeakPolarHBondContact O-CB 3.47Å; F591-N595 PolarHBondContact O-N 2.8Å; F591-N595 PolarHBondContact O-ND2 3.07Å; F591-L662 HydrophobicContact CE1-CD1 4.43Å; F591-L662 HydrophobicContact CZ-CD1 4.46Å; F591-L779 HydrophobicContact CE2-CD2 4.18Å; F591-C781 HydrophobicContact CB-CB 3.92Å |
| 592 | H | 87.5 | Confident | 85 | Confident | 6 Ų | 6 | 4.9 Ų | 4.9 | 3% | 0.028 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 172.8 | -74.2 | -57.1 | 0 | 0 | 0 | 113.4 | T588 V590 S596 E679 Y692 L760 C766 D783 | T588-H592 PolarHBondContact O-CD2 3.49Å; T588-H592 PolarHBondContact O-N 2.79Å; T588-H592 VanDerWaalsContact O-N 3.1Å; V590-H592 PolarHBondContact O-N 2.95Å; H592-S596 WeakPolarHBondContact O-CB 3.43Å; H592-S596 PolarHBondContact O-N 2.57Å; H592-S596 PolarHBondContact O-OG 3.4Å; H592-E679 IonicContact CD2-OE2 3.56Å; H592-E679 IonicContact NE2-OE2 3.61Å; H592-Y692 HydrophobicContact CB-CD1 3.73Å; H592-Y692 HydrophobicContact CB-CE1 3.47Å; H592-Y692 VanDerWaalsContact CB-CE1 3.47Å; H592-Y692 HydrophobicContact CB-CE2 4.28Å; H592-Y692 HydrophobicContact CB-CG 4.27Å; H592-Y692 AromaticContact CD2-CE1 4Å; H592-Y692 AromaticContact CD2-CE2 3.51Å; H592-Y692 AromaticContact CD2-CZ 3.34Å; H592-Y692 PolarHBondContact CD2-OH 2.81Å; H592-Y692 AromaticContact CG-CE1 3.98Å; H592-Y692 AromaticContact CG-CE2 3.91Å; H592-Y692 AromaticContact CG-CZ 3.76Å; H592-L760 HydrophobicContact CB-CD1 4.02Å; H592-C766 PolarHBondContact NE2-SG 3.01Å; H592-D783 IonicContact CE1-OD1 3.9Å; H592-D783 PolarHBondContact CE1-OD1 3.14Å; H592-D783 IonicContact CE1-OD2 3.04Å; H592-D783 IonicContact CG-OD2 2.79Å; H592-D783 VanDerWaalsContact ND1-CG 3.28Å; H592-D783 IonicContact ND1-OD1 2.63Å; H592-D783 PolarHBondContact ND1-OD1 2.87Å; H592-D783 IonicContact ND1-OD2 2.81Å; H592-D783 PolarHBondContact ND1-OD2 2.96Å |
| 593 | I | 88.4 | Confident | 84 | Confident | 3 Ų | 3 | 12.5 Ų | 12.5 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | 172.6 | -70 | -57.1 | 0 | 0 | 0 | 112 | P589 V590 S596 L614 F629 A693 F705 W733 | P589-I593 WeakPolarHBondContact O-CG1 3.45Å; P589-I593 PolarHBondContact O-N 2.99Å; P589-I593 VanDerWaalsContact O-N 3.09Å; V590-I593 PolarHBondContact O-N 2.94Å; I593-S596 WeakPolarHBondContact O-CB 3.48Å; I593-S596 PolarHBondContact O-N 3.29Å; I593-S596 VanDerWaalsContact O-N 3.09Å; I593-L614 HydrophobicContact CG2-CD1 4.39Å; I593-F629 HydrophobicContact CB-CE1 4.21Å; I593-F629 HydrophobicContact CB-CZ 4.19Å; I593-F629 HydrophobicContact CG1-CE1 4.22Å; I593-F629 HydrophobicContact CG2-CE1 4.25Å; I593-F629 HydrophobicContact CG2-CZ 3.97Å; I593-A693 HydrophobicContact CD1-CB 3.33Å; I593-F705 HydrophobicContact CD1-CD1 3.98Å; I593-F705 HydrophobicContact CD1-CE1 3.59Å; I593-F705 HydrophobicContact CD1-CZ 4.37Å; I593-F705 HydrophobicContact CG1-CE1 4.46Å; I593-F705 HydrophobicContact CG2-CE1 4.39Å; I593-F705 HydrophobicContact CG2-CZ 4.13Å; I593-W733 HydrophobicContact CD1-CH2 3.95Å; I593-W733 HydrophobicContact CG1-CH2 3.8Å; I593-W733 HydrophobicContact CG1-CZ2 4.46Å; I593-W733 HydrophobicContact CG1-CZ3 4.33Å |
| 594 | L | 90.4 | Very high | 82.4 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 178.2 | -68.8 | 172.3 | 0 | 0 | 0 | 112.1 | L557 V590 F591 S596 M597 L645 I660 | L557-L594 HydrophobicContact CD1-CB 4.13Å; L557-L594 HydrophobicContact CD2-CB 4.06Å; V590-L594 HydrophobicContact CG1-CD1 3.69Å; V590-L594 HydrophobicContact CG1-CG 4.13Å; V590-L594 WeakPolarHBondContact O-CB 3.42Å; V590-L594 WeakPolarHBondContact O-CG 3.46Å; V590-L594 PolarHBondContact O-N 2.92Å; F591-L594 HydrophobicContact CD1-CD1 4.08Å; F591-L594 HydrophobicContact CE1-CD1 4.46Å; F591-L594 PolarHBondContact O-N 2.92Å; L594-S596 PolarHBondContact O-N 2.79Å; L594-M597 WeakPolarHBondContact O-CB 3.07Å; L594-M597 WeakPolarHBondContact O-CG 3.12Å; L594-M597 PolarHBondContact O-N 3.23Å; L594-L645 HydrophobicContact CD2-CD1 3.59Å; L594-L645 HydrophobicContact CD2-CD2 3.94Å; L594-L645 HydrophobicContact CD2-CG 4.34Å; L594-I660 HydrophobicContact CD1-CD1 3.5Å; L594-I660 VanDerWaalsContact CD1-CD1 3.5Å; L594-I660 HydrophobicContact CD2-CD1 3.83Å; L594-I660 HydrophobicContact CG-CD1 4.28Å |
| 595 | N | 88.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.1 | -29 | 172.5 | -77.3 | -9 | 0 | 0 | 0 | 112.3 | L557 S567 S569 F591 D783 | L557-N595 WeakPolarHBondContact CD1-OD1 3.46Å; S567-N595 WeakPolarHBondContact CB-O 3.33Å; S567-N595 WeakPolarHBondContact OG-CB 3.26Å; S567-N595 PolarHBondContact OG-O 2.83Å; S569-N595 VanDerWaalsContact CB-OD1 3.32Å; S569-N595 WeakPolarHBondContact CB-OD1 3.31Å; S569-N595 PolarHBondContact N-OD1 2.96Å; S569-N595 PolarHBondContact OG-OD1 3.13Å; F591-N595 VanDerWaalsContact O-CB 3.28Å; F591-N595 WeakPolarHBondContact O-CB 3.47Å; F591-N595 PolarHBondContact O-N 2.8Å; F591-N595 PolarHBondContact O-ND2 3.07Å; N595-D783 HydrophobicContact CB-CB 4.08Å; N595-D783 WeakPolarHBondContact CB-OD2 3.28Å; N595-D783 PolarHBondContact ND2-OD2 2.93Å |
| 596 | S | 86.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -0.7 | -176.8 | -59.5 | 0 | 0 | 0 | 0 | 115.3 | H592 I593 L594 I598 S599 I758 L760 | H592-S596 WeakPolarHBondContact O-CB 3.43Å; H592-S596 PolarHBondContact O-N 2.57Å; H592-S596 PolarHBondContact O-OG 3.4Å; I593-S596 WeakPolarHBondContact O-CB 3.48Å; I593-S596 PolarHBondContact O-N 3.29Å; I593-S596 VanDerWaalsContact O-N 3.09Å; L594-S596 PolarHBondContact O-N 2.79Å; S596-I598 VanDerWaalsContact C-N 3.3Å; S596-I598 PolarHBondContact O-N 3.04Å; S596-S599 WeakPolarHBondContact O-CB 2.96Å; S596-S599 PolarHBondContact O-N 3.21Å; S596-S599 PolarHBondContact O-OG 2.7Å; S596-I758 WeakPolarHBondContact OG-CG2 2.97Å; S596-L760 WeakPolarHBondContact OG-CD2 3.05Å |
| 597 | M | 86.5 | Confident | 77.5 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -41.5 | -173.3 | -76.3 | -65.6 | -67 | 0 | 0 | 113.7 | I559 L594 L614 F615 L621 F625 | I559-M597 HydrophobicContact CD1-CB 4.14Å; L594-M597 WeakPolarHBondContact O-CB 3.07Å; L594-M597 WeakPolarHBondContact O-CG 3.12Å; L594-M597 PolarHBondContact O-N 3.23Å; M597-L614 HydrophobicContact CE-CB 4.16Å; M597-L614 HydrophobicContact SD-CB 3.55Å; M597-L614 VanDerWaalsContact SD-CB 3.55Å; M597-L614 HydrophobicContact SD-CD1 4.11Å; M597-F615 HydrophobicContact CE-CB 4.4Å; M597-F615 VanDerWaalsContact O-CB 3.22Å; M597-F615 WeakPolarHBondContact O-CB 3.45Å; M597-F615 PolarHBondContact O-N 3.2Å; M597-L621 HydrophobicContact CE-CD1 4.09Å; M597-L621 HydrophobicContact CE-CD2 3.7Å; M597-L621 HydrophobicContact CE-CG 4.23Å; M597-F625 HydrophobicContact CE-CD1 3.75Å; M597-F625 HydrophobicContact CE-CE1 3.63Å; M597-F625 HydrophobicContact SD-CD1 4.45Å; M597-F625 HydrophobicContact SD-CE1 3.91Å |
| 598 | I | 86.1 | Confident | 75.8 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 60.3 | -179.8 | -40.4 | -179.8 | 0 | 0 | 0 | 109.4 | F518 F534 I559 H561 S596 F615 | F518-I598 HydrophobicContact CD1-CG2 4.39Å; F518-I598 HydrophobicContact CD2-CG2 3.64Å; F518-I598 HydrophobicContact CE1-CG2 4.11Å; F518-I598 HydrophobicContact CE2-CD1 4.33Å; F518-I598 HydrophobicContact CE2-CG2 3.29Å; F518-I598 HydrophobicContact CG-CG2 4.18Å; F518-I598 HydrophobicContact CZ-CG2 3.55Å; F534-I598 HydrophobicContact CB-CD1 4.24Å; F534-I598 HydrophobicContact CD1-CD1 3.9Å; F534-I598 HydrophobicContact CD2-CD1 3.32Å; F534-I598 HydrophobicContact CE1-CD1 4.04Å; F534-I598 HydrophobicContact CE2-CD1 3.48Å; F534-I598 VanDerWaalsContact CE2-CD1 3.48Å; F534-I598 HydrophobicContact CG-CD1 3.56Å; F534-I598 HydrophobicContact CZ-CD1 3.85Å; I559-I598 HydrophobicContact CD1-CD1 4.28Å; I559-I598 HydrophobicContact CD1-CG1 4.11Å; I559-I598 HydrophobicContact CG2-CB 4.2Å; I559-I598 HydrophobicContact CG2-CD1 4.23Å; I559-I598 HydrophobicContact CG2-CG1 4.38Å; H561-I598 HydrophobicContact CB-CG2 4.26Å; H561-I598 PolarHBondContact CE1-O 3.3Å; H561-I598 WeakPolarHBondContact ND1-CG2 2.69Å; H561-I598 PolarHBondContact ND1-O 3.38Å; S596-I598 VanDerWaalsContact C-N 3.3Å; S596-I598 PolarHBondContact O-N 3.04Å; I598-F615 HydrophobicContact CD1-CD2 4.2Å; I598-F615 HydrophobicContact CD1-CE2 4.37Å; I598-F615 HydrophobicContact CD1-CG 4.39Å; I598-F615 HydrophobicContact CG1-CB 3.99Å; I598-F615 HydrophobicContact CG1-CD2 4.09Å; I598-F615 HydrophobicContact CG1-CG 3.98Å |
| 599 | S | 83.5 | Confident | 74.6 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 140.3 | 173 | 34.2 | 0 | 0 | 0 | 0 | 110.9 | S596 N613 | S596-S599 WeakPolarHBondContact O-CB 2.96Å; S596-S599 PolarHBondContact O-N 3.21Å; S596-S599 PolarHBondContact O-OG 2.7Å; S599-N613 WeakPolarHBondContact O-CB 3.32Å; S599-N613 PolarHBondContact O-ND2 2.94Å; S599-N613 VanDerWaalsContact O-ND2 3.1Å |
| 600 | S | 75.3 | Confident | 73.8 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 145.7 | 175.7 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | H561 L787 | H561-S600 PolarHBondContact CE1-OG 2.97Å; H561-S600 PolarHBondContact NE2-OG 3.19Å; S600-L787 PolarHBondContact O-N 3.3Å |
| 601 | P | 74.3 | Confident | 73.1 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 155.9 | 169.1 | 30.4 | -34.9 | 0 | 0 | 0 | 112 | E528 | E528-P601 WeakPolarHBondContact OE1-CD 3.37Å |
| 602 | C | 69.2 | Low | 72.7 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 12% | 0.122 | 26% | 0.257 | C | S | . | . | trans | -85.8 | 109.9 | -176.5 | -167.3 | 0 | 0 | 0 | 0 | 113.4 | N604 I605 L787 L788 C797 | C602-N604 VanDerWaalsContact C-N 3.29Å; C602-N604 PolarHBondContact O-N 3.32Å; C602-I605 HydrophobicContact CB-CD1 4.11Å; C602-I605 HydrophobicContact CB-CG1 4.21Å; C602-I605 PolarHBondContact O-N 2.02Å; C602-L787 PolarHBondContact N-O 2.94Å; C602-L788 HydrophobicContact CB-CD2 4.26Å; C602-L788 HydrophobicContact CB-CG 4.32Å; C602-C797 HydrophobicContact CB-CB 4.35Å; C602-C797 WeakPolarHBondContact CB-SG 3.29Å; C602-C797 WeakPolarHBondContact SG-CA 3.3Å; C602-C797 WeakPolarHBondContact SG-CB 3.3Å; C602-C797 PolarHBondContact SG-N 3.41Å; C602-C797 CovalentContact SG-SG 2.03Å; C602-C797 PolarHBondContact SG-SG 3.11Å | ||
| 603 | E | 61.6 | Low | 72.7 | Confident | 168 Ų | 168 | 53.7 Ų | 53.7 | 79% | 0.785 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -32.4 | -177.1 | -67.5 | 176.6 | -157.7 | 0 | 0 | 114.6 | I605 | E603-I605 VanDerWaalsContact C-N 3.28Å; E603-I605 PolarHBondContact O-N 3.01Å |
| 604 | N | 53.4 | Low | 72.7 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 61% | 0.61 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.1 | -176.5 | -79.2 | -21.4 | 0 | 0 | 0 | 114.4 | C602 | C602-N604 VanDerWaalsContact C-N 3.29Å; C602-N604 PolarHBondContact O-N 3.32Å |
| 605 | I | 53.2 | Low | 72.7 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -89.2 | 129.5 | 176.3 | -64.5 | -176.3 | 0 | 0 | 0 | 109.5 | C602 E603 K607 L788 D796 | C602-I605 HydrophobicContact CB-CD1 4.11Å; C602-I605 HydrophobicContact CB-CG1 4.21Å; C602-I605 PolarHBondContact O-N 2.02Å; E603-I605 VanDerWaalsContact C-N 3.28Å; E603-I605 PolarHBondContact O-N 3.01Å; I605-K607 PolarHBondContact O-N 2.97Å; I605-K607 VanDerWaalsContact O-N 3.07Å; I605-L788 HydrophobicContact CD1-CB 4.34Å; I605-L788 HydrophobicContact CD1-CD2 3.72Å; I605-L788 HydrophobicContact CD1-CG 4.43Å; I605-D796 HydrophobicContact CD1-CB 4.25Å |
| 606 | P | 53.8 | Low | 72.7 | Confident | 103 Ų | 103 | 54 Ų | 54 | 67% | 0.669 | 26% | 0.258 | S | S | * | . | trans | -55.8 | 116.4 | 178.4 | -26.6 | 34.9 | 0 | 0 | 0 | 112.2 | R608 | P606-R608 PolarHBondContact O-N 2.03Š| ||
| 607 | K | 48.6 | Very low | 72.8 | Confident | 179 Ų | 179 | 54 Ų | 54 | 78% | 0.778 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -54.6 | 95.4 | 179.6 | -70.2 | -164.8 | 172 | -156.1 | 0 | 111.8 | D515 I605 | D515-K607 IonicContact OD2-NZ 2.83Å; D515-K607 PolarHBondContact OD2-NZ 2.65Å; I605-K607 PolarHBondContact O-N 2.97Å; I605-K607 VanDerWaalsContact O-N 3.07Å |
| 608 | R | 52.2 | Low | 72.8 | Confident | 230 Ų | 230 | 53.8 Ų | 53.8 | 87% | 0.868 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -110.7 | -45.3 | 171.2 | -73.3 | -172.4 | 173.7 | -161.1 | -1.6 | 111.6 | P606 | P606-R608 PolarHBondContact O-N 2.03Š|
| 609 | E | 60.5 | Low | 72.7 | Confident | 119 Ų | 119 | 55.1 Ų | 55.1 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -135.5 | 152.3 | -175.7 | -71.4 | 176.3 | -147.8 | 0 | 0 | 110.7 | ||
| 610 | R | 69.7 | Low | 72.8 | Confident | 54 Ų | 54 | 55 Ų | 55 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | trans | -97 | 122.7 | -168.8 | -170.4 | 165 | -173.2 | -115.1 | -31.8 | 109.9 | E501 C513 S514 D515 Y612 | E501-R610 IonicContact OE2-NH1 2.75Å; C513-R610 PolarHBondContact O-NH1 3.12Å; C513-R610 PolarHBondContact O-NH2 2.75Å; S514-R610 PolarHBondContact O-NH2 3.07Å; D515-R610 VanDerWaalsContact OD1-CD 3.29Å; D515-R610 WeakPolarHBondContact OD1-CD 3.31Å; D515-R610 IonicContact OD1-CZ 3.01Å; D515-R610 IonicContact OD1-NE 2.82Å; D515-R610 PolarHBondContact OD1-NE 2.96Å; R610-Y612 HydrophobicContact CB-CE2 4.32Å; R610-Y612 HydrophobicContact CG-CE1 4.16Å; R610-Y612 HydrophobicContact CG-CE2 4.34Å; R610-Y612 WeakPolarHBondContact O-CD2 3.49Å; R610-Y612 VanDerWaalsContact O-CE2 3.26Å; R610-Y612 WeakPolarHBondContact O-CE2 3.36Å | ||
| 611 | V | 74.9 | Confident | 73.4 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | trans | -100.8 | 128.9 | -173.1 | -149.2 | 0 | 0 | 0 | 0 | 110 | Y756 L787 A789 | V611-Y756 HydrophobicContact CG1-CD1 3.58Å; V611-Y756 HydrophobicContact CG1-CE1 3.97Å; V611-Y756 HydrophobicContact CG1-CG 4.38Å; V611-L787 HydrophobicContact CB-CD2 4.19Å; V611-L787 HydrophobicContact CB-CG 4.45Å; V611-L787 HydrophobicContact CG1-CD1 4.37Å; V611-L787 HydrophobicContact CG1-CD2 3.71Å; V611-L787 HydrophobicContact CG1-CG 3.72Å; V611-A789 HydrophobicContact CG2-CB 3.61Å | ||
| 612 | Y | 82.9 | Confident | 73.7 | Confident | 18 Ų | 18 | 56 Ų | 56 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | trans | -110 | 119.5 | -176.8 | -56 | -84.4 | 0 | 0 | 0 | 109.8 | I512 R610 T616 L617 Y695 L743 I750 | I512-Y612 HydrophobicContact CD1-CE1 3.96Å; I512-Y612 WeakPolarHBondContact CD1-OH 3.49Å; R610-Y612 HydrophobicContact CB-CE2 4.32Å; R610-Y612 HydrophobicContact CG-CE1 4.16Å; R610-Y612 HydrophobicContact CG-CE2 4.34Å; R610-Y612 WeakPolarHBondContact O-CD2 3.49Å; R610-Y612 VanDerWaalsContact O-CE2 3.26Å; R610-Y612 WeakPolarHBondContact O-CE2 3.36Å; Y612-T616 HydrophobicContact CD1-CG2 4Å; Y612-L617 WeakPolarHBondContact O-CD1 2.96Å; Y612-Y695 PolarHBondContact O-OH 3.5Å; Y612-L743 HydrophobicContact CD1-CD1 4.3Å; Y612-I750 HydrophobicContact CD2-CD1 3.44Å; Y612-I750 VanDerWaalsContact CD2-CD1 3.44Å; Y612-I750 HydrophobicContact CD2-CG1 3.79Å; Y612-I750 HydrophobicContact CE2-CD1 3.89Å; Y612-I750 HydrophobicContact CE2-CG1 3.73Å; Y612-I750 HydrophobicContact CG-CD1 4.01Å | ||
| 613 | N | 87.2 | Confident | 74.1 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | trans | -67.7 | 160.7 | 176.3 | 61.7 | 24.1 | 0 | 0 | 0 | 112.2 | S599 F615 T616 L617 L787 | S599-N613 WeakPolarHBondContact O-CB 3.32Å; S599-N613 PolarHBondContact O-ND2 2.94Å; S599-N613 VanDerWaalsContact O-ND2 3.1Å; N613-F615 PolarHBondContact O-N 3.48Å; N613-T616 WeakPolarHBondContact O-CB 3.28Å; N613-T616 PolarHBondContact O-N 3.42Å; N613-T616 WeakPolarHBondContact OD1-CB 3.32Å; N613-T616 PolarHBondContact OD1-N 2.78Å; N613-T616 PolarHBondContact OD1-OG1 2.81Å; N613-L617 PolarHBondContact O-N 2.98Å; N613-L787 HydrophobicContact CB-CD2 3.83Å | ||
| 614 | L | 88.6 | Confident | 75 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -32.7 | -174.5 | -61.6 | 172 | 0 | 0 | 0 | 112.5 | I593 M597 L617 G618 Y695 I703 F705 I758 | I593-L614 HydrophobicContact CG2-CD1 4.39Å; M597-L614 HydrophobicContact CE-CB 4.16Å; M597-L614 HydrophobicContact SD-CB 3.55Å; M597-L614 VanDerWaalsContact SD-CB 3.55Å; M597-L614 HydrophobicContact SD-CD1 4.11Å; L614-L617 PolarHBondContact O-N 2.83Å; L614-G618 PolarHBondContact O-N 2.61Å; L614-Y695 HydrophobicContact CD2-CD1 4Å; L614-Y695 HydrophobicContact CD2-CD2 4.24Å; L614-Y695 HydrophobicContact CD2-CE1 3.85Å; L614-Y695 HydrophobicContact CD2-CE2 4.09Å; L614-Y695 HydrophobicContact CD2-CG 4.18Å; L614-Y695 HydrophobicContact CG-CE1 4.3Å; L614-I703 HydrophobicContact CD2-CG2 4.05Å; L614-F705 HydrophobicContact CD1-CE1 4.37Å; L614-F705 HydrophobicContact CD1-CZ 3.8Å; L614-F705 HydrophobicContact CD2-CE2 4.46Å; L614-F705 HydrophobicContact CD2-CZ 3.74Å; L614-F705 HydrophobicContact CG-CZ 4.44Å; L614-I758 HydrophobicContact CD1-CD1 3.91Å; L614-I758 HydrophobicContact CG-CD1 4.49Å |
| 615 | F | 90.3 | Very high | 76.8 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 173.3 | -176.7 | -98.2 | 0 | 0 | 0 | 112.5 | F518 W526 F534 M597 I598 N613 G618 N619 G620 L621 L647 | F518-F615 AromaticContact CD2-CD1 3.79Å; F518-F615 HydrophobicContact CD2-CD1 3.79Å; F518-F615 AromaticContact CD2-CE1 3.97Å; F518-F615 HydrophobicContact CD2-CE1 3.97Å; F518-F615 HydrophobicContact CE2-CD1 4.33Å; F518-F615 HydrophobicContact CE2-CE1 4.21Å; W526-F615 AromaticContact CE3-CE1 3.81Å; W526-F615 HydrophobicContact CE3-CE1 3.81Å; W526-F615 HydrophobicContact CE3-CZ 4.27Å; W526-F615 HydrophobicContact CH2-CE1 4.26Å; W526-F615 AromaticContact CH2-CZ 3.95Å; W526-F615 HydrophobicContact CH2-CZ 3.95Å; W526-F615 AromaticContact CZ3-CE1 3.53Å; W526-F615 HydrophobicContact CZ3-CE1 3.53Å; W526-F615 AromaticContact CZ3-CZ 3.69Å; W526-F615 HydrophobicContact CZ3-CZ 3.69Å; F534-F615 HydrophobicContact CD1-CE2 4.47Å; F534-F615 HydrophobicContact CD1-CZ 4.38Å; F534-F615 HydrophobicContact CE1-CE2 4.38Å; F534-F615 AromaticContact CE1-CZ 3.86Å; F534-F615 HydrophobicContact CE1-CZ 3.86Å; M597-F615 HydrophobicContact CE-CB 4.4Å; M597-F615 VanDerWaalsContact O-CB 3.22Å; M597-F615 WeakPolarHBondContact O-CB 3.45Å; M597-F615 PolarHBondContact O-N 3.2Å; I598-F615 HydrophobicContact CD1-CD2 4.2Å; I598-F615 HydrophobicContact CD1-CE2 4.37Å; I598-F615 HydrophobicContact CD1-CG 4.39Å; I598-F615 HydrophobicContact CG1-CB 3.99Å; I598-F615 HydrophobicContact CG1-CD2 4.09Å; I598-F615 HydrophobicContact CG1-CG 3.98Å; N613-F615 PolarHBondContact O-N 3.48Å; F615-G618 CarbonylContact O-C 3.57Å; F615-G618 PolarHBondContact O-N 3.09Å; F615-N619 PolarHBondContact O-N 3Å; F615-G620 WeakPolarHBondContact O-CA 3.01Å; F615-G620 PolarHBondContact O-N 3.04Å; F615-L621 HydrophobicContact CD2-CD1 3.6Å; F615-L621 HydrophobicContact CD2-CG 3.65Å; F615-L621 HydrophobicContact CE2-CB 4.24Å; F615-L621 HydrophobicContact CE2-CD1 3.79Å; F615-L621 HydrophobicContact CE2-CG 3.85Å; F615-L647 HydrophobicContact CZ-CD2 4.29Å |
| 616 | T | 88.8 | Confident | 78.5 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.9 | -41.9 | 174.6 | -57 | 0 | 0 | 0 | 0 | 111.7 | G519 Y612 N613 G618 N619 L743 | G519-T616 PolarHBondContact N-OG1 3.42Å; Y612-T616 HydrophobicContact CD1-CG2 4Å; N613-T616 WeakPolarHBondContact O-CB 3.28Å; N613-T616 PolarHBondContact O-N 3.42Å; N613-T616 WeakPolarHBondContact OD1-CB 3.32Å; N613-T616 PolarHBondContact OD1-N 2.78Å; N613-T616 PolarHBondContact OD1-OG1 2.81Å; T616-G618 VanDerWaalsContact C-N 3.26Å; T616-G618 PolarHBondContact O-N 2.82Å; T616-N619 PolarHBondContact O-N 3.27Å; T616-L743 HydrophobicContact CG2-CD1 4.14Å |
| 617 | L | 88.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.7 | -31.1 | 174.6 | -64.5 | 175.9 | 0 | 0 | 0 | 112.6 | Y612 N613 L614 N619 Y695 I697 I703 S741 L743 L744 I750 | Y612-L617 WeakPolarHBondContact O-CD1 2.96Å; N613-L617 PolarHBondContact O-N 2.98Å; L614-L617 PolarHBondContact O-N 2.83Å; L617-N619 PolarHBondContact O-N 2.86Å; L617-Y695 HydrophobicContact CD1-CD2 4.45Å; L617-Y695 HydrophobicContact CD1-CE2 3.55Å; L617-I697 HydrophobicContact CD1-CD1 4.15Å; L617-I697 HydrophobicContact CD2-CD1 3.77Å; L617-I703 HydrophobicContact CB-CD1 3.63Å; L617-I703 HydrophobicContact CD1-CD1 4.19Å; L617-S741 WeakPolarHBondContact O-CB 3.42Å; L617-S741 PolarHBondContact O-OG 2.83Å; L617-L743 HydrophobicContact CD2-CB 4.39Å; L617-L743 HydrophobicContact CD2-CD1 4.28Å; L617-L744 HydrophobicContact CD2-CD2 4.45Å; L617-I750 HydrophobicContact CD2-CD1 3.42Å; L617-I750 VanDerWaalsContact CD2-CD1 3.42Å |
| 618 | G | 86.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 11.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L614 F615 T616 G620 L621 | L614-G618 PolarHBondContact O-N 2.61Å; F615-G618 CarbonylContact O-C 3.57Å; F615-G618 PolarHBondContact O-N 3.09Å; T616-G618 VanDerWaalsContact C-N 3.26Å; T616-G618 PolarHBondContact O-N 2.82Å; G618-G620 PolarHBondContact O-N 2.03Å; G618-L621 PolarHBondContact O-N 3.49Å |
| 619 | N | 84.7 | Confident | 84.6 | Confident | 30 Ų | 30 | 30.4 Ų | 30.4 | 16% | 0.16 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | 53.4 | 49.4 | -175.8 | -170.4 | 43.4 | 0 | 0 | 0 | 112.8 | A520 F615 T616 L617 L621 Q622 | A520-N619 WeakPolarHBondContact CB-O 3.46Å; F615-N619 PolarHBondContact O-N 3Å; T616-N619 PolarHBondContact O-N 3.27Å; L617-N619 PolarHBondContact O-N 2.86Å; N619-L621 PolarHBondContact O-N 2.85Å; N619-L621 VanDerWaalsContact O-N 3.08Å; N619-Q622 PolarHBondContact O-N 2.96Å |
| 620 | G | 86 | Confident | 86.1 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | 58.1 | 21.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F615 G618 Q622 | F615-G620 WeakPolarHBondContact O-CA 3.01Å; F615-G620 PolarHBondContact O-N 3.04Å; G618-G620 PolarHBondContact O-N 2.03Å; G620-Q622 PolarHBondContact O-N 2.93Å; G620-Q622 VanDerWaalsContact O-N 3.17Å |
| 621 | L | 87.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | 59.7 | 17.7 | -176.7 | -55.5 | -180 | 0 | 0 | 0 | 115.2 | F536 M597 F615 G618 N619 R623 F625 L645 L647 | F536-L621 HydrophobicContact CE1-CD1 3.8Å; F536-L621 HydrophobicContact CZ-CD1 3.64Å; M597-L621 HydrophobicContact CE-CD1 4.09Å; M597-L621 HydrophobicContact CE-CD2 3.7Å; M597-L621 HydrophobicContact CE-CG 4.23Å; F615-L621 HydrophobicContact CD2-CD1 3.6Å; F615-L621 HydrophobicContact CD2-CG 3.65Å; F615-L621 HydrophobicContact CE2-CB 4.24Å; F615-L621 HydrophobicContact CE2-CD1 3.79Å; F615-L621 HydrophobicContact CE2-CG 3.85Å; G618-L621 PolarHBondContact O-N 3.49Å; N619-L621 PolarHBondContact O-N 2.85Å; N619-L621 VanDerWaalsContact O-N 3.08Å; L621-R623 PolarHBondContact O-N 3.05Å; L621-F625 HydrophobicContact CD2-CB 3.28Å; L621-F625 HydrophobicContact CD2-CD1 3.74Å; L621-F625 HydrophobicContact CD2-CG 3.67Å; L621-L645 HydrophobicContact CD1-CB 4.1Å; L621-L645 HydrophobicContact CD1-CD2 4.14Å; L621-L645 HydrophobicContact CD2-CB 4.09Å; L621-L647 HydrophobicContact CB-CB 3.96Å; L621-L647 PolarHBondContact O-N 2.78Å |
| 622 | Q | 79.3 | Confident | 88 | Confident | 63 Ų | 63 | 28.9 Ų | 28.9 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -17.5 | 177.2 | -69.4 | -157.9 | -37.6 | 0 | 0 | 114.3 | A520 A523 N619 G620 | A520-Q622 HydrophobicContact CB-CG 4.14Å; A523-Q622 VanDerWaalsContact CB-CD 3.46Å; N619-Q622 PolarHBondContact O-N 2.96Å; G620-Q622 PolarHBondContact O-N 2.93Å; G620-Q622 VanDerWaalsContact O-N 3.17Å |
| 623 | R | 78.8 | Confident | 88.2 | Confident | 97 Ų | 97 | 28 Ų | 28 | 37% | 0.366 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -117.4 | 146.7 | 164.7 | -69.7 | -170.9 | 174 | -171.9 | -3.2 | 107.9 | L621 F625 E740 | L621-R623 PolarHBondContact O-N 3.05Å; R623-F625 PolarHBondContact O-N 3.2Å; R623-E740 VanDerWaalsContact CD-OE2 3.31Å; R623-E740 WeakPolarHBondContact CD-OE2 3.39Å; R623-E740 IonicContact CZ-OE2 2.69Å; R623-E740 IonicContact NE-OE2 3.93Å; R623-E740 IonicContact NH1-OE2 3.59Å; R623-E740 PolarHBondContact NH1-OE2 2.97Å |
| 624 | P | 81 | Confident | 88 | Confident | 49 Ų | 49 | 31.5 Ų | 31.5 | 32% | 0.318 | 15% | 0.15 | S | C | . | . | trans | -50.8 | 103.8 | -178.5 | -30.4 | 36.4 | 0 | 0 | 0 | 112.4 | K626 I644 L645 E646 | P624-K626 PolarHBondContact O-N 3.46Å; P624-I644 HydrophobicContact CB-CG2 3.67Å; P624-L645 CarbonylContact C-O 3.33Å; P624-L645 WeakPolarHBondContact CA-O 3.38Å; P624-E646 HydrophobicContact CG-CG 4.45Å | ||
| 625 | F | 89.3 | Confident | 87.4 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115.1 | 179.2 | -178.6 | -121.3 | 0 | 0 | 0 | 108.4 | M597 L621 R623 V627 I644 L645 I703 A737 | M597-F625 HydrophobicContact CE-CD1 3.75Å; M597-F625 HydrophobicContact CE-CE1 3.63Å; M597-F625 HydrophobicContact SD-CD1 4.45Å; M597-F625 HydrophobicContact SD-CE1 3.91Å; L621-F625 HydrophobicContact CD2-CB 3.28Å; L621-F625 HydrophobicContact CD2-CD1 3.74Å; L621-F625 HydrophobicContact CD2-CG 3.67Å; R623-F625 PolarHBondContact O-N 3.2Å; F625-V627 HydrophobicContact CD1-CG2 3.84Å; F625-V627 HydrophobicContact CE1-CG2 3.54Å; F625-V627 HydrophobicContact CZ-CG2 4.22Å; F625-I644 WeakPolarHBondContact O-CA 3.35Å; F625-L645 PolarHBondContact N-O 3.05Å; F625-L645 PolarHBondContact O-N 3Å; F625-I703 HydrophobicContact CE2-CD1 3.9Å; F625-I703 HydrophobicContact CZ-CD1 3.97Å; F625-A737 HydrophobicContact CE1-CB 4.26Å; F625-A737 HydrophobicContact CE2-CB 3.85Å; F625-A737 HydrophobicContact CZ-CB 3.55Å |
| 626 | K | 90.4 | Very high | 87 | Confident | 99 Ų | 99 | 39.8 Ų | 39.8 | 43% | 0.43 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.5 | -171.9 | -66.4 | 176.9 | -173 | 173.8 | 0 | 109.3 | P624 A643 I644 A737 E738 | P624-K626 PolarHBondContact O-N 3.46Å; K626-A643 CarbonylContact C-O 3.39Å; K626-A643 WeakPolarHBondContact CA-O 3.32Å; K626-I644 HydrophobicContact CG-CG1 4.33Å; K626-A737 CarbonylContact O-C 3.58Å; K626-A737 VanDerWaalsContact O-CA 3.22Å; K626-A737 WeakPolarHBondContact O-CA 3.22Å; K626-E738 PolarHBondContact N-O 3.49Å; K626-E738 PolarHBondContact O-N 3.31Å |
| 627 | V | 93 | Very high | 86.9 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.8 | 173.2 | -166.5 | 0 | 0 | 0 | 0 | 108.2 | F625 F629 A643 A735 A737 | F625-V627 HydrophobicContact CD1-CG2 3.84Å; F625-V627 HydrophobicContact CE1-CG2 3.54Å; F625-V627 HydrophobicContact CZ-CG2 4.22Å; V627-F629 HydrophobicContact CB-CD2 4.2Å; V627-F629 HydrophobicContact CB-CE2 3.68Å; V627-F629 HydrophobicContact CB-CZ 4.29Å; V627-F629 HydrophobicContact CG1-CD2 3.8Å; V627-F629 HydrophobicContact CG1-CE1 4.23Å; V627-F629 HydrophobicContact CG1-CE2 3.35Å; V627-F629 HydrophobicContact CG1-CG 4.41Å; V627-F629 HydrophobicContact CG1-CZ 3.6Å; V627-A643 HydrophobicContact CB-CB 4.24Å; V627-A643 PolarHBondContact N-O 2.79Å; V627-A643 PolarHBondContact O-N 2.91Å; V627-A735 HydrophobicContact CG1-CB 3.97Å; V627-A737 HydrophobicContact CB-CB 4.21Å; V627-A737 HydrophobicContact CG1-CB 4.08Å; V627-A737 HydrophobicContact CG2-CB 3.81Å |
| 628 | L | 94.3 | Very high | 86.9 | Confident | 58 Ų | 58 | 45.8 Ų | 45.8 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 96.8 | 174.2 | -73.8 | 165.5 | 0 | 0 | 0 | 108.7 | T640 Q642 A735 V736 | L628-T640 HydrophobicContact CD2-CG2 4.06Å; L628-Q642 HydrophobicContact CD2-CB 3.77Å; L628-Q642 HydrophobicContact CD2-CG 3.91Å; L628-A735 WeakPolarHBondContact O-CA 3.46Å; L628-V736 PolarHBondContact N-O 3.39Å; L628-V736 PolarHBondContact O-N 3.21Å |
| 629 | F | 94.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 132.7 | 170 | -60.4 | -98.3 | 0 | 0 | 0 | 109.6 | V590 I593 V627 F631 T640 I641 A643 W733 S734 A735 | V590-F629 HydrophobicContact CB-CE1 4.4Å; V590-F629 HydrophobicContact CB-CE2 4.43Å; V590-F629 HydrophobicContact CB-CZ 4.24Å; V590-F629 HydrophobicContact CG1-CD2 4.33Å; V590-F629 HydrophobicContact CG1-CE2 3.76Å; V590-F629 HydrophobicContact CG1-CZ 3.87Å; V590-F629 HydrophobicContact CG2-CD1 3.95Å; V590-F629 HydrophobicContact CG2-CD2 4.09Å; V590-F629 HydrophobicContact CG2-CE1 4.07Å; V590-F629 HydrophobicContact CG2-CE2 4.2Å; V590-F629 HydrophobicContact CG2-CG 3.97Å; V590-F629 HydrophobicContact CG2-CZ 4.19Å; I593-F629 HydrophobicContact CB-CE1 4.21Å; I593-F629 HydrophobicContact CB-CZ 4.19Å; I593-F629 HydrophobicContact CG1-CE1 4.22Å; I593-F629 HydrophobicContact CG2-CE1 4.25Å; I593-F629 HydrophobicContact CG2-CZ 3.97Å; V627-F629 HydrophobicContact CB-CD2 4.2Å; V627-F629 HydrophobicContact CB-CE2 3.68Å; V627-F629 HydrophobicContact CB-CZ 4.29Å; V627-F629 HydrophobicContact CG1-CD2 3.8Å; V627-F629 HydrophobicContact CG1-CE1 4.23Å; V627-F629 HydrophobicContact CG1-CE2 3.35Å; V627-F629 HydrophobicContact CG1-CG 4.41Å; V627-F629 HydrophobicContact CG1-CZ 3.6Å; F629-F631 HydrophobicContact CB-CD2 4.04Å; F629-F631 HydrophobicContact CB-CE2 3.63Å; F629-F631 HydrophobicContact CD1-CE2 4.44Å; F629-F631 HydrophobicContact CG-CE2 4.29Å; F629-T640 CarbonylContact O-C 3.51Å; F629-T640 VanDerWaalsContact O-CA 3.3Å; F629-T640 WeakPolarHBondContact O-CA 3.49Å; F629-T640 WeakPolarHBondContact O-CG2 3.5Å; F629-I641 HydrophobicContact CB-CB 4.28Å; F629-I641 PolarHBondContact N-O 2.95Å; F629-I641 PolarHBondContact O-N 3.04Å; F629-A643 HydrophobicContact CD2-CB 4.42Å; F629-A643 HydrophobicContact CE2-CB 3.98Å; F629-W733 HydrophobicContact CD1-CE3 4.01Å; F629-W733 HydrophobicContact CD1-CZ3 4.14Å; F629-W733 HydrophobicContact CE1-CE3 4.43Å; F629-W733 HydrophobicContact CE1-CZ3 4.17Å; F629-S734 CarbonylContact C-O 3.45Å; F629-S734 VanDerWaalsContact CA-O 3.3Å; F629-S734 WeakPolarHBondContact CA-O 3.21Å; F629-A735 HydrophobicContact CD1-CB 3.6Å; F629-A735 HydrophobicContact CE1-CB 3.93Å; F629-A735 HydrophobicContact CG-CB 4.06Å |
| 630 | Q | 92.9 | Very high | 87.5 | Confident | 117 Ų | 117 | 46 Ų | 46 | 55% | 0.547 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.3 | 170.8 | -64.3 | -174.3 | -8.3 | 0 | 0 | 108.6 | W733 S734 | Q630-W733 CarbonylContact O-C 3.36Å; Q630-W733 VanDerWaalsContact O-CA 3.3Å; Q630-W733 WeakPolarHBondContact O-CA 3.35Å; Q630-S734 PolarHBondContact N-O 3.08Å; Q630-S734 PolarHBondContact O-N 3.2Å |
| 631 | F | 92.3 | Very high | 87.9 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.5 | 179.9 | -79.7 | -94.3 | 0 | 0 | 0 | 110.2 | I587 P589 V590 F629 K638 F639 I641 V731 H732 W733 | I587-F631 HydrophobicContact CB-CZ 4.4Å; P589-F631 HydrophobicContact CG-CE1 4.46Å; V590-F631 HydrophobicContact CG2-CE2 3.77Å; V590-F631 HydrophobicContact CG2-CZ 3.77Å; F629-F631 HydrophobicContact CB-CD2 4.04Å; F629-F631 HydrophobicContact CB-CE2 3.63Å; F629-F631 HydrophobicContact CD1-CE2 4.44Å; F629-F631 HydrophobicContact CG-CE2 4.29Å; F631-K638 CarbonylContact O-C 3.47Å; F631-K638 VanDerWaalsContact O-CA 3.28Å; F631-K638 WeakPolarHBondContact O-CA 3.42Å; F631-F639 HydrophobicContact CB-CD1 3.55Å; F631-F639 HydrophobicContact CB-CE1 3.25Å; F631-F639 HydrophobicContact CB-CG 4.29Å; F631-F639 HydrophobicContact CB-CZ 3.83Å; F631-F639 HydrophobicContact CD1-CE1 4.34Å; F631-F639 HydrophobicContact CD1-CZ 4.38Å; F631-F639 HydrophobicContact CD2-CE1 4.47Å; F631-F639 HydrophobicContact CD2-CE2 4.49Å; F631-F639 HydrophobicContact CD2-CZ 4.18Å; F631-F639 HydrophobicContact CG-CD1 4.49Å; F631-F639 AromaticContact CG-CE1 3.81Å; F631-F639 HydrophobicContact CG-CE1 3.81Å; F631-F639 AromaticContact CG-CZ 3.89Å; F631-F639 HydrophobicContact CG-CZ 3.89Å; F631-F639 PolarHBondContact N-O 3.29Å; F631-F639 PolarHBondContact O-N 2.58Å; F631-I641 HydrophobicContact CD2-CD1 3.81Å; F631-I641 HydrophobicContact CD2-CG1 4.1Å; F631-I641 HydrophobicContact CE2-CD1 3.52Å; F631-I641 HydrophobicContact CE2-CG1 4.19Å; F631-I641 HydrophobicContact CZ-CD1 4.33Å; F631-V731 HydrophobicContact CD1-CG1 3.51Å; F631-V731 HydrophobicContact CE1-CG1 3.82Å; F631-H732 CarbonylContact C-O 3.56Å; F631-H732 WeakPolarHBondContact CA-O 3.15Å; F631-W733 HydrophobicContact CD1-CB 3.8Å; F631-W733 HydrophobicContact CE1-CB 3.62Å; F631-W733 HydrophobicContact CE1-CG 4.37Å; F631-W733 HydrophobicContact CE2-CB 4.48Å; F631-W733 HydrophobicContact CG-CB 4.31Å; F631-W733 HydrophobicContact CZ-CB 3.97Å |
| 632 | D | 90.3 | Very high | 88.2 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 98.7 | 168.7 | -172.3 | 25.7 | 0 | 0 | 0 | 108 | K638 H732 | D632-K638 HydrophobicContact CB-CG 3.98Å; D632-K638 WeakPolarHBondContact OD1-CE 3.21Å; D632-K638 WeakPolarHBondContact OD1-CG 3.31Å; D632-K638 IonicContact OD1-NZ 2.81Å; D632-K638 PolarHBondContact OD1-NZ 3.4Å; D632-K638 WeakPolarHBondContact OD2-CE 3.49Å; D632-K638 IonicContact OD2-NZ 2.82Å; D632-K638 PolarHBondContact OD2-NZ 3.44Å; D632-H732 HydrophobicContact CB-CB 4.28Å; D632-H732 PolarHBondContact N-O 3.43Å; D632-H732 PolarHBondContact O-N 3.43Å |
| 633 | I | 88.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.3 | 179.6 | -57.5 | 162.1 | 0 | 0 | 0 | 107.9 | T583 L586 R635 V636 G637 F639 I729 V731 | T583-I633 HydrophobicContact CG2-CD1 4.38Å; L586-I633 HydrophobicContact CB-CD1 4.44Å; L586-I633 HydrophobicContact CD1-CD1 3.56Å; L586-I633 HydrophobicContact CD1-CG1 4.05Å; L586-I633 HydrophobicContact CD1-CG2 3.8Å; I633-R635 PolarHBondContact O-N 3.2Å; I633-V636 HydrophobicContact CB-CB 3.8Å; I633-V636 HydrophobicContact CB-CG1 4.15Å; I633-V636 HydrophobicContact CD1-CB 4.41Å; I633-V636 HydrophobicContact CD1-CG1 3.88Å; I633-V636 HydrophobicContact CG2-CB 3.61Å; I633-V636 HydrophobicContact CG2-CG1 4.26Å; I633-V636 HydrophobicContact CG2-CG2 3.78Å; I633-V636 PolarHBondContact O-N 3.49Å; I633-G637 PolarHBondContact N-O 3.21Å; I633-G637 PolarHBondContact O-N 2.86Å; I633-F639 HydrophobicContact CD1-CD1 4.15Å; I633-F639 HydrophobicContact CD1-CE1 3.45Å; I633-F639 VanDerWaalsContact CD1-CE1 3.45Å; I633-F639 HydrophobicContact CD1-CZ 4.35Å; I633-F639 HydrophobicContact CG1-CE1 4.07Å; I633-I729 HydrophobicContact CG2-CG2 3.36Å; I633-V731 HydrophobicContact CG1-CG1 4.23Å; I633-V731 HydrophobicContact CG1-CG2 4.27Å; I633-V731 HydrophobicContact CG2-CG2 4.28Å |
| 634 | E | 82 | Confident | 89.5 | Confident | 77 Ų | 77 | 43 Ų | 43 | 36% | 0.36 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 132.1 | 176.7 | -74.9 | -162.3 | 122.4 | 0 | 0 | 111.5 | V636 N730 | E634-V636 PolarHBondContact O-N 3.06Å; E634-N730 HydrophobicContact CG-CB 4.12Å; E634-N730 PolarHBondContact N-O 2.05Å; E634-N730 WeakPolarHBondContact OE2-CB 3.43Å; E634-N730 PolarHBondContact OE2-ND2 3.03Å |
| 635 | R | 78 | Confident | 90 | Very high | 172 Ų | 172 | 40.7 Ų | 40.7 | 65% | 0.649 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -21.7 | 179.9 | -44.5 | 173.9 | -163.7 | 151.3 | 15 | 116 | I633 N671 | I633-R635 PolarHBondContact O-N 3.2Å; R635-N671 PolarHBondContact O-ND2 3.17Å |
| 636 | V | 81.3 | Confident | 89.9 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -46.7 | 177.9 | 166.9 | 0 | 0 | 0 | 0 | 111.8 | T583 I633 E634 L670 N671 L673 I729 | T583-V636 HydrophobicContact CG2-CG1 4.26Å; I633-V636 HydrophobicContact CB-CB 3.8Å; I633-V636 HydrophobicContact CB-CG1 4.15Å; I633-V636 HydrophobicContact CD1-CB 4.41Å; I633-V636 HydrophobicContact CD1-CG1 3.88Å; I633-V636 HydrophobicContact CG2-CB 3.61Å; I633-V636 HydrophobicContact CG2-CG1 4.26Å; I633-V636 HydrophobicContact CG2-CG2 3.78Å; I633-V636 PolarHBondContact O-N 3.49Å; E634-V636 PolarHBondContact O-N 3.06Å; V636-L670 HydrophobicContact CG1-CD2 3.96Å; V636-N671 WeakPolarHBondContact CG1-O 3.47Å; V636-N671 PolarHBondContact O-N 3.48Å; V636-L673 HydrophobicContact CG2-CD1 4.02Å; V636-L673 HydrophobicContact CG2-CD2 3.48Å; V636-L673 VanDerWaalsContact CG2-CD2 3.48Å; V636-L673 HydrophobicContact CG2-CG 3.66Å; V636-I729 HydrophobicContact CG2-CD1 4.37Å |
| 637 | G | 86 | Confident | 89.8 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 25% | 0.247 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 121.6 | -169.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I633 | I633-G637 PolarHBondContact N-O 3.21Å; I633-G637 PolarHBondContact O-N 2.86Å |
| 638 | K | 89.3 | Confident | 89.2 | Confident | 110 Ų | 110 | 44 Ų | 44 | 48% | 0.478 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 141.2 | -172.5 | -68.2 | 171.5 | -179.2 | -76.4 | 0 | 112.7 | F631 D632 S666 | F631-K638 CarbonylContact O-C 3.47Å; F631-K638 VanDerWaalsContact O-CA 3.28Å; F631-K638 WeakPolarHBondContact O-CA 3.42Å; D632-K638 HydrophobicContact CB-CG 3.98Å; D632-K638 WeakPolarHBondContact OD1-CE 3.21Å; D632-K638 WeakPolarHBondContact OD1-CG 3.31Å; D632-K638 IonicContact OD1-NZ 2.81Å; D632-K638 PolarHBondContact OD1-NZ 3.4Å; D632-K638 WeakPolarHBondContact OD2-CE 3.49Å; D632-K638 IonicContact OD2-NZ 2.82Å; D632-K638 PolarHBondContact OD2-NZ 3.44Å; K638-S666 WeakPolarHBondContact O-CB 3.42Å; K638-S666 PolarHBondContact O-OG 2.65Å |
| 639 | F | 91.5 | Very high | 88.2 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 165 | 169.5 | 73.7 | -69.8 | 0 | 0 | 0 | 111.8 | F544 I587 F631 I633 I641 A664 F665 L670 | F544-F639 HydrophobicContact CD1-CB 4.41Å; F544-F639 HydrophobicContact CE1-CB 3.99Å; F544-F639 AromaticContact CE1-CD2 3.65Å; F544-F639 HydrophobicContact CE1-CD2 3.65Å; F544-F639 HydrophobicContact CE1-CE2 4.35Å; F544-F639 HydrophobicContact CE1-CG 4.03Å; F544-F639 AromaticContact CZ-CD2 3.97Å; F544-F639 HydrophobicContact CZ-CD2 3.97Å; F544-F639 HydrophobicContact CZ-CE2 4.22Å; I587-F639 HydrophobicContact CG2-CE2 4.09Å; I587-F639 HydrophobicContact CG2-CZ 3.8Å; F631-F639 HydrophobicContact CB-CD1 3.55Å; F631-F639 HydrophobicContact CB-CE1 3.25Å; F631-F639 HydrophobicContact CB-CG 4.29Å; F631-F639 HydrophobicContact CB-CZ 3.83Å; F631-F639 HydrophobicContact CD1-CE1 4.34Å; F631-F639 HydrophobicContact CD1-CZ 4.38Å; F631-F639 HydrophobicContact CD2-CE1 4.47Å; F631-F639 HydrophobicContact CD2-CE2 4.49Å; F631-F639 HydrophobicContact CD2-CZ 4.18Å; F631-F639 HydrophobicContact CG-CD1 4.49Å; F631-F639 AromaticContact CG-CE1 3.81Å; F631-F639 HydrophobicContact CG-CE1 3.81Å; F631-F639 AromaticContact CG-CZ 3.89Å; F631-F639 HydrophobicContact CG-CZ 3.89Å; F631-F639 PolarHBondContact N-O 3.29Å; F631-F639 PolarHBondContact O-N 2.58Å; I633-F639 HydrophobicContact CD1-CD1 4.15Å; I633-F639 HydrophobicContact CD1-CE1 3.45Å; I633-F639 VanDerWaalsContact CD1-CE1 3.45Å; I633-F639 HydrophobicContact CD1-CZ 4.35Å; I633-F639 HydrophobicContact CG1-CE1 4.07Å; F639-I641 HydrophobicContact CD2-CD1 4.48Å; F639-I641 HydrophobicContact CD2-CG1 3.9Å; F639-I641 HydrophobicContact CE2-CD1 3.63Å; F639-I641 HydrophobicContact CE2-CG1 3.52Å; F639-I641 HydrophobicContact CZ-CD1 4.19Å; F639-I641 HydrophobicContact CZ-CG1 4.45Å; F639-A664 HydrophobicContact CD2-CB 4.39Å; F639-A664 HydrophobicContact CE2-CB 4.47Å; F639-F665 WeakPolarHBondContact CB-O 3.32Å; F639-L670 HydrophobicContact CB-CD1 4.03Å; F639-L670 HydrophobicContact CB-CD2 4.48Å; F639-L670 HydrophobicContact CD1-CD2 4.47Å |
| 640 | T | 91.6 | Very high | 87 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 142.5 | 177.2 | -55.6 | 0 | 0 | 0 | 0 | 108.5 | L628 F629 A664 F665 | L628-T640 HydrophobicContact CD2-CG2 4.06Å; F629-T640 CarbonylContact O-C 3.51Å; F629-T640 VanDerWaalsContact O-CA 3.3Å; F629-T640 WeakPolarHBondContact O-CA 3.49Å; F629-T640 WeakPolarHBondContact O-CG2 3.5Å; T640-A664 CarbonylContact O-C 3.56Å; T640-A664 WeakPolarHBondContact O-CA 3.33Å; T640-F665 HydrophobicContact CG2-CE1 3.88Å; T640-F665 HydrophobicContact CG2-CE2 4.24Å; T640-F665 HydrophobicContact CG2-CZ 3.58Å; T640-F665 PolarHBondContact N-O 3.18Å; T640-F665 PolarHBondContact O-N 3.22Å |
| 641 | I | 94.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116 | 167.2 | -49.7 | 173.8 | 0 | 0 | 0 | 107.5 | I587 V590 F629 F631 F639 L662 E663 A664 | I587-I641 HydrophobicContact CB-CD1 3.77Å; I587-I641 HydrophobicContact CD1-CD1 3.98Å; I587-I641 HydrophobicContact CG1-CD1 4.49Å; I587-I641 HydrophobicContact CG2-CD1 3.38Å; V590-I641 HydrophobicContact CG2-CD1 3.99Å; F629-I641 HydrophobicContact CB-CB 4.28Å; F629-I641 PolarHBondContact N-O 2.95Å; F629-I641 PolarHBondContact O-N 3.04Å; F631-I641 HydrophobicContact CD2-CD1 3.81Å; F631-I641 HydrophobicContact CD2-CG1 4.1Å; F631-I641 HydrophobicContact CE2-CD1 3.52Å; F631-I641 HydrophobicContact CE2-CG1 4.19Å; F631-I641 HydrophobicContact CZ-CD1 4.33Å; F639-I641 HydrophobicContact CD2-CD1 4.48Å; F639-I641 HydrophobicContact CD2-CG1 3.9Å; F639-I641 HydrophobicContact CE2-CD1 3.63Å; F639-I641 HydrophobicContact CE2-CG1 3.52Å; F639-I641 HydrophobicContact CZ-CD1 4.19Å; F639-I641 HydrophobicContact CZ-CG1 4.45Å; I641-L662 HydrophobicContact CG2-CB 4.31Å; I641-L662 HydrophobicContact CG2-CD2 4.19Å; I641-E663 WeakPolarHBondContact CA-O 3.5Å; I641-A664 HydrophobicContact CG1-CB 4.15Å |
| 642 | Q | 93.2 | Very high | 83.5 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 105.2 | 169.2 | -179.4 | 179.9 | -111 | 0 | 0 | 108.1 | L628 I644 L662 E663 F665 | L628-Q642 HydrophobicContact CD2-CB 3.77Å; L628-Q642 HydrophobicContact CD2-CG 3.91Å; Q642-I644 HydrophobicContact CG-CD1 4.35Å; Q642-I644 HydrophobicContact CG-CG1 4.05Å; Q642-L662 WeakPolarHBondContact O-CA 3.37Å; Q642-E663 PolarHBondContact N-O 2.84Å; Q642-E663 PolarHBondContact O-N 3.26Å; Q642-F665 HydrophobicContact CB-CE1 4.18Å |
| 643 | A | 93.5 | Very high | 82 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | K626 V627 F629 L645 E661 L662 | K626-A643 CarbonylContact C-O 3.39Å; K626-A643 WeakPolarHBondContact CA-O 3.32Å; V627-A643 HydrophobicContact CB-CB 4.24Å; V627-A643 PolarHBondContact N-O 2.79Å; V627-A643 PolarHBondContact O-N 2.91Å; F629-A643 HydrophobicContact CD2-CB 4.42Å; F629-A643 HydrophobicContact CE2-CB 3.98Å; A643-L645 HydrophobicContact CB-CD1 4.32Å; A643-E661 WeakPolarHBondContact CA-O 3.1Å; A643-L662 HydrophobicContact CB-CD2 3.32Å |
| 644 | I | 92.1 | Very high | 80.9 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.5 | 175.4 | -51 | -173.5 | 0 | 0 | 0 | 108 | P624 F625 K626 Q642 I660 E661 | P624-I644 HydrophobicContact CB-CG2 3.67Å; F625-I644 WeakPolarHBondContact O-CA 3.35Å; K626-I644 HydrophobicContact CG-CG1 4.33Å; Q642-I644 HydrophobicContact CG-CD1 4.35Å; Q642-I644 HydrophobicContact CG-CG1 4.05Å; I644-I660 WeakPolarHBondContact O-CA 3.36Å; I644-E661 PolarHBondContact N-O 3.42Å; I644-E661 PolarHBondContact O-N 3.33Å |
| 645 | L | 91.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.6 | 175.7 | -71.3 | 86.6 | 0 | 0 | 0 | 110.7 | L557 L594 L621 P624 F625 A643 V659 I660 | L557-L645 HydrophobicContact CD2-CD2 3.89Å; L594-L645 HydrophobicContact CD2-CD1 3.59Å; L594-L645 HydrophobicContact CD2-CD2 3.94Å; L594-L645 HydrophobicContact CD2-CG 4.34Å; L621-L645 HydrophobicContact CD1-CB 4.1Å; L621-L645 HydrophobicContact CD1-CD2 4.14Å; L621-L645 HydrophobicContact CD2-CB 4.09Å; P624-L645 CarbonylContact C-O 3.33Å; P624-L645 WeakPolarHBondContact CA-O 3.38Å; F625-L645 PolarHBondContact N-O 3.05Å; F625-L645 PolarHBondContact O-N 3Å; A643-L645 HydrophobicContact CB-CD1 4.32Å; L645-V659 WeakPolarHBondContact CA-O 3.4Å; L645-I660 HydrophobicContact CD1-CD1 4.2Å; L645-I660 HydrophobicContact CD1-CG1 4.27Å; L645-I660 HydrophobicContact CD2-CD1 4.3Å; L645-I660 HydrophobicContact CG-CB 4.32Å; L645-I660 HydrophobicContact CG-CD1 4.12Å; L645-I660 HydrophobicContact CG-CG1 4.04Å |
| 646 | E | 88.6 | Confident | 80.6 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 116.7 | -179 | -176.5 | -176.2 | -117.3 | 0 | 0 | 108.5 | T402 P624 R648 G658 V659 | T402-E646 WeakPolarHBondContact CB-OE1 3.08Å; T402-E646 PolarHBondContact OG1-OE1 3.46Å; P624-E646 HydrophobicContact CG-CG 4.45Å; E646-R648 HydrophobicContact CG-CG 4.33Å; E646-R648 IonicContact OE2-CZ 2.73Å; E646-R648 VanDerWaalsContact OE2-CZ 3.28Å; E646-R648 IonicContact OE2-NE 3.84Å; E646-R648 PolarHBondContact OE2-NE 3.19Å; E646-R648 IonicContact OE2-NH2 3.77Å; E646-R648 PolarHBondContact OE2-NH2 3.37Å; E646-G658 CarbonylContact O-C 3.58Å; E646-G658 WeakPolarHBondContact O-CA 2.97Å; E646-V659 PolarHBondContact N-O 2.79Å; E646-V659 PolarHBondContact O-N 2.9Å |
| 647 | L | 87.3 | Confident | 80.8 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.5 | 173.6 | -165.2 | 74.9 | 0 | 0 | 0 | 108.6 | W526 F534 F536 F615 L621 F650 A656 S657 | W526-L647 HydrophobicContact CH2-CD2 3.76Å; W526-L647 HydrophobicContact CZ2-CD2 4.14Å; F534-L647 HydrophobicContact CD1-CD1 4.35Å; F536-L647 HydrophobicContact CE1-CD1 3.86Å; F536-L647 HydrophobicContact CZ-CD1 3.71Å; F615-L647 HydrophobicContact CZ-CD2 4.29Å; L621-L647 HydrophobicContact CB-CB 3.96Å; L621-L647 PolarHBondContact O-N 2.78Å; L647-F650 HydrophobicContact CD2-CB 4.09Å; L647-F650 HydrophobicContact CD2-CD1 3.85Å; L647-F650 HydrophobicContact CD2-CG 4.22Å; L647-F650 HydrophobicContact CG-CD1 4.19Å; L647-A656 HydrophobicContact CD1-CB 4.06Å; L647-A656 HydrophobicContact CD2-CB 4.45Å; L647-S657 WeakPolarHBondContact CD1-O 3.23Å |
| 648 | R | 81.4 | Confident | 80.9 | Confident | 142 Ų | 142 | 47.5 Ų | 47.5 | 54% | 0.536 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -39.5 | -169.7 | -70.4 | -167.6 | 174.4 | 169.6 | 3.8 | 113.9 | E646 S657 | E646-R648 HydrophobicContact CG-CG 4.33Å; E646-R648 IonicContact OE2-CZ 2.73Å; E646-R648 VanDerWaalsContact OE2-CZ 3.28Å; E646-R648 IonicContact OE2-NE 3.84Å; E646-R648 PolarHBondContact OE2-NE 3.19Å; E646-R648 IonicContact OE2-NH2 3.77Å; E646-R648 PolarHBondContact OE2-NH2 3.37Å; R648-S657 PolarHBondContact N-O 2.8Å |
| 649 | D | 71.9 | Confident | 81 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 122.5 | 179.5 | -172.8 | -18.6 | 0 | 0 | 0 | 108.8 | T651 A656 S657 | D649-T651 VanDerWaalsContact OD1-CB 3.27Å; D649-T651 WeakPolarHBondContact OD1-CB 3.21Å; D649-T651 WeakPolarHBondContact OD1-CG2 3.32Å; D649-T651 PolarHBondContact OD1-N 3.1Å; D649-T651 PolarHBondContact OD1-OG1 3.27Å; D649-A656 CarbonylContact O-C 3.58Å; D649-A656 VanDerWaalsContact O-CA 3.22Å; D649-A656 WeakPolarHBondContact O-CA 3.18Å; D649-A656 WeakPolarHBondContact O-CB 3.43Å; D649-S657 PolarHBondContact N-O 2.96Å; D649-S657 PolarHBondContact O-N 2.91Å |
| 650 | F | 69.6 | Low | 81.1 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 30% | 0.303 | 24% | 0.24 | S | C | . | . | trans | -135.9 | 31.5 | 174.7 | 49.6 | -87.7 | 0 | 0 | 0 | 110.1 | K524 W526 L647 T652 A656 | K524-F650 HydrophobicContact CB-CD2 4.49Å; W526-F650 HydrophobicContact CZ2-CB 3.93Å; W526-F650 HydrophobicContact CZ2-CG 4.48Å; L647-F650 HydrophobicContact CD2-CB 4.09Å; L647-F650 HydrophobicContact CD2-CD1 3.85Å; L647-F650 HydrophobicContact CD2-CG 4.22Å; L647-F650 HydrophobicContact CG-CD1 4.19Å; F650-T652 VanDerWaalsContact C-N 3.28Å; F650-T652 PolarHBondContact O-N 2.04Å; F650-A656 HydrophobicContact CB-CB 3.79Å | ||
| 651 | T | 56 | Low | 81.2 | Confident | 118 Ų | 118 | 45.2 Ų | 45.2 | 72% | 0.724 | 25% | 0.247 | S | C | * | . | trans | -62.1 | -32 | -176.1 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | D649 | D649-T651 VanDerWaalsContact OD1-CB 3.27Å; D649-T651 WeakPolarHBondContact OD1-CB 3.21Å; D649-T651 WeakPolarHBondContact OD1-CG2 3.32Å; D649-T651 PolarHBondContact OD1-N 3.1Å; D649-T651 PolarHBondContact OD1-OG1 3.27Å | ||
| 652 | T | 55.3 | Low | 81.2 | Confident | 67 Ų | 67 | 45.3 Ų | 45.3 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -95.7 | 140.1 | 177.8 | 88.1 | 0 | 0 | 0 | 0 | 111.4 | F650 A654 Y655 | F650-T652 VanDerWaalsContact C-N 3.28Å; F650-T652 PolarHBondContact O-N 2.04Å; T652-A654 PolarHBondContact O-N 3.3Å; T652-A654 VanDerWaalsContact O-N 3.11Å; T652-Y655 VanDerWaalsContact O-O 3.12Å; T652-Y655 WeakPolarHBondContact OG1-CA 3.38Å; T652-Y655 WeakPolarHBondContact OG1-CB 3.43Å; T652-Y655 PolarHBondContact OG1-N 2.84Å; T652-Y655 PolarHBondContact OG1-O 3.33Å |
| 653 | G | 60.3 | Low | 81.1 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 55% | 0.546 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -66.2 | -12 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | H532 | H532-G653 PolarHBondContact CE1-O 3.03Å; H532-G653 PolarHBondContact ND1-O 3.16Å |
| 654 | A | 65.4 | Low | 81 | Confident | 57 Ų | 57 | 45.5 Ų | 45.5 | 47% | 0.471 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -120.5 | -14.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H532 K533 T652 | H532-A654 CarbonylContact C-O 3.52Å; H532-A654 WeakPolarHBondContact CA-O 3.37Å; K533-A654 PolarHBondContact N-O 2.99Å; T652-A654 PolarHBondContact O-N 3.3Å; T652-A654 VanDerWaalsContact O-N 3.11Å |
| 655 | Y | 72.7 | Confident | 81 | Confident | 110 Ų | 110 | 46.2 Ų | 46.2 | 43% | 0.431 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 132.4 | 176.6 | 173.9 | -92.9 | 0 | 0 | 0 | 111.5 | K533 T652 | K533-Y655 HydrophobicContact CB-CD2 4.04Å; K533-Y655 CarbonylContact O-C 3.52Å; K533-Y655 VanDerWaalsContact O-CA 3.28Å; K533-Y655 WeakPolarHBondContact O-CA 3.04Å; T652-Y655 VanDerWaalsContact O-O 3.12Å; T652-Y655 WeakPolarHBondContact OG1-CA 3.38Å; T652-Y655 WeakPolarHBondContact OG1-CB 3.43Å; T652-Y655 PolarHBondContact OG1-N 2.84Å; T652-Y655 PolarHBondContact OG1-O 3.33Å |
| 656 | A | 80.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 154 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K533 F534 S535 L647 D649 F650 | K533-A656 PolarHBondContact O-N 3.24Å; F534-A656 CarbonylContact C-O 3.5Å; F534-A656 VanDerWaalsContact CA-O 3.3Å; F534-A656 WeakPolarHBondContact CA-O 3.43Å; F534-A656 HydrophobicContact CD1-CB 3.85Å; F534-A656 HydrophobicContact CE1-CB 4.12Å; S535-A656 PolarHBondContact N-O 2.86Å; L647-A656 HydrophobicContact CD1-CB 4.06Å; L647-A656 HydrophobicContact CD2-CB 4.45Å; D649-A656 CarbonylContact O-C 3.58Å; D649-A656 VanDerWaalsContact O-CA 3.22Å; D649-A656 WeakPolarHBondContact O-CA 3.18Å; D649-A656 WeakPolarHBondContact O-CB 3.43Å; F650-A656 HydrophobicContact CB-CB 3.79Å |
| 657 | S | 84.6 | Confident | 79.9 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 155.6 | 174.5 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | S535 L647 R648 D649 | S535-S657 CarbonylContact O-C 3.6Å; S535-S657 WeakPolarHBondContact O-CA 3.49Å; S535-S657 WeakPolarHBondContact O-CB 2.92Å; L647-S657 WeakPolarHBondContact CD1-O 3.23Å; R648-S657 PolarHBondContact N-O 2.8Å; D649-S657 PolarHBondContact N-O 2.96Å; D649-S657 PolarHBondContact O-N 2.91Å |
| 658 | G | 88.1 | Confident | 79.4 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | -173.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S535 F536 S537 E646 | S535-G658 PolarHBondContact O-N 3.46Å; F536-G658 WeakPolarHBondContact CA-O 3.18Å; S537-G658 PolarHBondContact N-O 2.82Å; E646-G658 CarbonylContact O-C 3.58Å; E646-G658 WeakPolarHBondContact O-CA 2.97Å |
| 659 | V | 91.5 | Very high | 78.9 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.9 | 172.9 | 165.7 | 0 | 0 | 0 | 0 | 110.5 | S537 L645 E646 E661 | S537-V659 VanDerWaalsContact O-CA 3.22Å; S537-V659 WeakPolarHBondContact O-CA 3.47Å; L645-V659 WeakPolarHBondContact CA-O 3.4Å; E646-V659 PolarHBondContact N-O 2.79Å; E646-V659 PolarHBondContact O-N 2.9Å; V659-E661 HydrophobicContact CG1-CG 3.93Å |
| 660 | I | 93 | Very high | 79.2 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.6 | 171.7 | -178.9 | 170.1 | 0 | 0 | 0 | 108.8 | F536 S537 G538 S539 I555 L594 I644 L645 | F536-I660 HydrophobicContact CB-CB 4.16Å; F536-I660 HydrophobicContact CB-CG2 3.83Å; S537-I660 PolarHBondContact O-N 2.91Å; S537-I660 VanDerWaalsContact O-N 3.1Å; G538-I660 VanDerWaalsContact CA-O 3.24Å; G538-I660 WeakPolarHBondContact CA-O 3.3Å; S539-I660 PolarHBondContact N-O 3.42Å; I555-I660 HydrophobicContact CD1-CG1 4.11Å; I555-I660 HydrophobicContact CD1-CG2 4.1Å; I555-I660 WeakPolarHBondContact CD1-O 3.08Å; I555-I660 HydrophobicContact CG1-CG2 4.2Å; L594-I660 HydrophobicContact CD1-CD1 3.5Å; L594-I660 VanDerWaalsContact CD1-CD1 3.5Å; L594-I660 HydrophobicContact CD2-CD1 3.83Å; L594-I660 HydrophobicContact CG-CD1 4.28Å; I644-I660 WeakPolarHBondContact O-CA 3.36Å; L645-I660 HydrophobicContact CD1-CD1 4.2Å; L645-I660 HydrophobicContact CD1-CG1 4.27Å; L645-I660 HydrophobicContact CD2-CD1 4.3Å; L645-I660 HydrophobicContact CG-CB 4.32Å; L645-I660 HydrophobicContact CG-CD1 4.12Å; L645-I660 HydrophobicContact CG-CG1 4.04Å |
| 661 | E | 94.1 | Very high | 79.8 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.4 | 173.4 | -63.3 | -61.2 | 151 | 0 | 0 | 109.6 | G538 S539 A643 I644 V659 | G538-E661 WeakPolarHBondContact CA-OE1 3.28Å; S539-E661 WeakPolarHBondContact CA-OE2 3.32Å; S539-E661 WeakPolarHBondContact CB-OE2 3.38Å; S539-E661 PolarHBondContact N-OE1 3.38Å; S539-E661 PolarHBondContact N-OE2 3.17Å; S539-E661 WeakPolarHBondContact O-CA 3.06Å; S539-E661 PolarHBondContact OG-OE2 3Å; A643-E661 WeakPolarHBondContact CA-O 3.1Å; I644-E661 PolarHBondContact N-O 3.42Å; I644-E661 PolarHBondContact O-N 3.33Å; V659-E661 HydrophobicContact CG1-CG 3.93Å |
| 662 | L | 94.1 | Very high | 81 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.1 | 175.7 | -62.5 | 179.1 | 0 | 0 | 0 | 109.3 | S539 L540 T541 I555 I587 V590 F591 I641 Q642 A643 | S539-L662 PolarHBondContact O-N 2.58Å; L540-L662 CarbonylContact C-O 3.51Å; L540-L662 VanDerWaalsContact CA-O 3.3Å; L540-L662 WeakPolarHBondContact CA-O 3.02Å; L540-L662 HydrophobicContact CB-CB 4.06Å; L540-L662 HydrophobicContact CB-CD1 4.47Å; L540-L662 HydrophobicContact CD1-CB 4.49Å; L540-L662 HydrophobicContact CD1-CD1 3.99Å; L540-L662 HydrophobicContact CG-CB 3.85Å; L540-L662 HydrophobicContact CG-CD1 4.25Å; T541-L662 PolarHBondContact N-O 2.94Å; I555-L662 HydrophobicContact CD1-CB 4.06Å; I555-L662 HydrophobicContact CD1-CD1 3.67Å; I555-L662 HydrophobicContact CD1-CG 3.47Å; I555-L662 VanDerWaalsContact CD1-CG 3.47Å; I555-L662 HydrophobicContact CG2-CD1 4.44Å; I587-L662 HydrophobicContact CD1-CD1 4.45Å; V590-L662 HydrophobicContact CG1-CD2 4.46Å; F591-L662 HydrophobicContact CE1-CD1 4.43Å; F591-L662 HydrophobicContact CZ-CD1 4.46Å; I641-L662 HydrophobicContact CG2-CB 4.31Å; I641-L662 HydrophobicContact CG2-CD2 4.19Å; Q642-L662 WeakPolarHBondContact O-CA 3.37Å; A643-L662 HydrophobicContact CB-CD2 3.32Å |
| 663 | E | 92.3 | Very high | 82.3 | Confident | 54 Ų | 54 | 50.7 Ų | 50.7 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 109.4 | 165.6 | -171.3 | 175.2 | -169.4 | 0 | 0 | 109.6 | R543 I641 Q642 F665 | R543-E663 IonicContact CZ-OE1 3.09Å; R543-E663 IonicContact NE-OE1 2.76Å; R543-E663 IonicContact NH1-OE1 3.32Å; R543-E663 PolarHBondContact NH1-OE1 3.42Å; I641-E663 WeakPolarHBondContact CA-O 3.5Å; Q642-E663 PolarHBondContact N-O 2.84Å; Q642-E663 PolarHBondContact O-N 3.26Å; E663-F665 HydrophobicContact CG-CD1 4.15Å |
| 664 | A | 91.3 | Very high | 82.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T541 A542 R543 F544 F639 T640 I641 | T541-A664 PolarHBondContact O-N 2.99Å; A542-A664 CarbonylContact C-O 3.16Å; A542-A664 VanDerWaalsContact CA-O 3.26Å; A542-A664 WeakPolarHBondContact CA-O 3.36Å; A542-A664 HydrophobicContact CB-CB 4.32Å; R543-A664 PolarHBondContact N-O 3.07Å; F544-A664 HydrophobicContact CE1-CB 4.06Å; F544-A664 HydrophobicContact CZ-CB 3.91Å; F639-A664 HydrophobicContact CD2-CB 4.39Å; F639-A664 HydrophobicContact CE2-CB 4.47Å; T640-A664 CarbonylContact O-C 3.56Å; T640-A664 WeakPolarHBondContact O-CA 3.33Å; I641-A664 HydrophobicContact CG1-CB 4.15Å |
| 665 | F | 91.1 | Very high | 83.2 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 27% | 0.268 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.5 | -176 | 64 | -89.2 | 0 | 0 | 0 | 113 | R543 F639 T640 Q642 E663 | R543-F665 HydrophobicContact CB-CB 4.37Å; R543-F665 VanDerWaalsContact O-CA 3.3Å; R543-F665 WeakPolarHBondContact O-CA 3.48Å; F639-F665 WeakPolarHBondContact CB-O 3.32Å; T640-F665 HydrophobicContact CG2-CE1 3.88Å; T640-F665 HydrophobicContact CG2-CE2 4.24Å; T640-F665 HydrophobicContact CG2-CZ 3.58Å; T640-F665 PolarHBondContact N-O 3.18Å; T640-F665 PolarHBondContact O-N 3.22Å; Q642-F665 HydrophobicContact CB-CE1 4.18Å; E663-F665 HydrophobicContact CG-CD1 4.15Å |
| 666 | S | 85.8 | Confident | 83.2 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.3 | 167.8 | -170.5 | 0 | 0 | 0 | 0 | 113.1 | R543 K638 E668 L670 | R543-S666 PolarHBondContact O-N 2.98Å; K638-S666 WeakPolarHBondContact O-CB 3.42Å; K638-S666 PolarHBondContact O-OG 2.65Å; S666-E668 VanDerWaalsContact C-N 3.32Å; S666-E668 PolarHBondContact OG-N 2.75Å; S666-E668 PolarHBondContact OG-O 2.89Å; S666-L670 VanDerWaalsContact CB-CD1 3.48Å |
| 667 | T | 70.6 | Confident | 83.2 | Confident | 137 Ų | 137 | 50.9 Ų | 50.9 | 84% | 0.84 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -81.9 | -12 | 172.5 | 50.9 | 0 | 0 | 0 | 0 | 113 | ||
| 668 | E | 76.7 | Confident | 82.6 | Confident | 128 Ų | 128 | 52.7 Ų | 52.7 | 60% | 0.598 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -119.2 | 161.2 | -180 | -61.7 | -172.8 | 177.2 | 0 | 0 | 110.3 | S666 L670 | S666-E668 VanDerWaalsContact C-N 3.32Å; S666-E668 PolarHBondContact OG-N 2.75Å; S666-E668 PolarHBondContact OG-O 2.89Å; E668-L670 PolarHBondContact O-N 3.06Å |
| 669 | N | 71.2 | Confident | 82 | Confident | 132 Ų | 132 | 54.3 Ų | 54.3 | 71% | 0.706 | 28% | 0.279 | S | S | * | . | trans | -77.8 | 118.8 | 175.5 | -73.3 | -2.8 | 0 | 0 | 0 | 109.6 | ||||
| 670 | L | 78.7 | Confident | 80.8 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | trans | -84 | 148.4 | 173 | -73.3 | 132 | 0 | 0 | 0 | 111.7 | F544 V636 F639 S666 E668 L672 | F544-L670 HydrophobicContact CB-CD1 3.71Å; F544-L670 HydrophobicContact CD1-CD1 3.41Å; F544-L670 VanDerWaalsContact CD1-CD1 3.41Å; F544-L670 HydrophobicContact CE1-CD1 4.19Å; F544-L670 HydrophobicContact CG-CD1 3.69Å; V636-L670 HydrophobicContact CG1-CD2 3.96Å; F639-L670 HydrophobicContact CB-CD1 4.03Å; F639-L670 HydrophobicContact CB-CD2 4.48Å; F639-L670 HydrophobicContact CD1-CD2 4.47Å; S666-L670 VanDerWaalsContact CB-CD1 3.48Å; E668-L670 PolarHBondContact O-N 3.06Å; L670-L672 HydrophobicContact CB-CD2 3.88Å; L670-L672 PolarHBondContact O-N 3.35Å | ||
| 671 | N | 82.3 | Confident | 78.9 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | trans | -86.1 | 84.8 | 165.3 | -57.9 | -46.2 | 0 | 0 | 0 | 108.4 | R635 V636 | R635-N671 PolarHBondContact O-ND2 3.17Å; V636-N671 WeakPolarHBondContact CG1-O 3.47Å; V636-N671 PolarHBondContact O-N 3.48Å | ||
| 672 | L | 82.1 | Confident | 76.3 | Confident | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | trans | -57.7 | 146 | -178.9 | -56.9 | -171.1 | 0 | 0 | 0 | 112.1 | F544 E547 R579 I580 T583 L670 | F544-L672 HydrophobicContact CB-CD2 3.95Å; F544-L672 HydrophobicContact CD2-CD1 4.32Å; F544-L672 HydrophobicContact CD2-CD2 3.55Å; F544-L672 HydrophobicContact CE2-CD2 4.32Å; F544-L672 HydrophobicContact CG-CD2 3.99Å; E547-L672 HydrophobicContact CB-CD1 4.31Å; E547-L672 WeakPolarHBondContact OE2-CD1 3.35Å; R579-L672 HydrophobicContact CB-CB 3.83Å; R579-L672 HydrophobicContact CB-CD1 4.06Å; I580-L672 HydrophobicContact CG1-CD1 3.67Å; T583-L672 HydrophobicContact CG2-CD2 4.14Å; T583-L672 WeakPolarHBondContact OG1-CA 3.02Å; L670-L672 HydrophobicContact CB-CD2 3.88Å; L670-L672 PolarHBondContact O-N 3.35Å | ||
| 673 | L | 81.9 | Confident | 73.2 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | trans | -82 | 129.8 | -173.3 | -71.6 | 173.8 | 0 | 0 | 0 | 112.9 | S582 T583 L586 V636 Y677 I729 | S582-L673 WeakPolarHBondContact CB-O 3.2Å; T583-L673 PolarHBondContact OG1-N 3.16Å; L586-L673 HydrophobicContact CD1-CD1 3.55Å; L586-L673 HydrophobicContact CG-CD1 4.31Å; V636-L673 HydrophobicContact CG2-CD1 4.02Å; V636-L673 HydrophobicContact CG2-CD2 3.48Å; V636-L673 VanDerWaalsContact CG2-CD2 3.48Å; V636-L673 HydrophobicContact CG2-CG 3.66Å; L673-Y677 HydrophobicContact CD1-CD2 3.84Å; L673-Y677 HydrophobicContact CD1-CE2 3.82Å; L673-Y677 HydrophobicContact CD2-CE2 3.92Å; L673-Y677 HydrophobicContact CG-CE2 4.35Å; L673-I729 HydrophobicContact CD1-CD1 4.31Å; L673-I729 HydrophobicContact CD2-CD1 4.08Å | ||
| 674 | D | 70.9 | Confident | 70.3 | Confident | 103 Ų | 103 | 64.8 Ų | 64.8 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -92.7 | 4.7 | 173.9 | -71.7 | -9.4 | 0 | 0 | 0 | 113 | R579 | R579-D674 WeakPolarHBondContact CG-OD1 3.19Å; R579-D674 IonicContact CZ-OD1 2.68Å; R579-D674 IonicContact CZ-OD2 3.52Å; R579-D674 IonicContact NE-OD1 3.73Å; R579-D674 PolarHBondContact NE-OD1 2.75Å; R579-D674 VanDerWaalsContact NH1-CG 3.32Å; R579-D674 IonicContact NH1-OD1 2.88Å; R579-D674 PolarHBondContact NH1-OD1 2.66Å; R579-D674 IonicContact NH1-OD2 3.84Å; R579-D674 PolarHBondContact NH1-OD2 2.88Å; R579-D674 IonicContact NH2-OD1 2.75Å; R579-D674 PolarHBondContact NH2-OD1 3.2Å; R579-D674 IonicContact NH2-OD2 3.42Å; R579-D674 PolarHBondContact NH2-OD2 3.07Å |
| 675 | R | 73.3 | Confident | 67.6 | Low | 91 Ų | 91 | 72 Ų | 72 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -132.4 | 148.3 | -177.2 | -75.9 | -178.7 | 165.9 | 160.4 | -1.5 | 109.9 | Y677 D718 E727 | R675-Y677 HydrophobicContact CB-CE2 3.9Å; R675-Y677 VanDerWaalsContact O-CD2 3.31Å; R675-Y677 WeakPolarHBondContact O-CD2 3.29Å; R675-D718 IonicContact CZ-OD2 2.68Å; R675-D718 IonicContact NE-OD2 2.96Å; R675-D718 IonicContact NH2-OD2 3.64Å; R675-D718 PolarHBondContact NH2-OD2 2.82Å; R675-E727 IonicContact CZ-OE2 3.47Å; R675-E727 IonicContact NH1-OE2 2.83Å; R675-E727 PolarHBondContact NH1-OE2 3.48Å |
| 676 | S | 73.8 | Confident | 65 | Low | 24 Ų | 24 | 76.2 Ų | 76.2 | 17% | 0.168 | 40% | 0.404 | C | S | . | . | trans | -84.8 | 143.5 | 173.4 | 56 | 0 | 0 | 0 | 0 | 112.5 | V714 E715 | S676-V714 WeakPolarHBondContact O-CA 3.14Å; S676-E715 WeakPolarHBondContact CB-OE2 3.31Å; S676-E715 PolarHBondContact O-N 2.93Å; S676-E715 PolarHBondContact OG-OE2 2.68Å | ||
| 677 | Y | 79 | Confident | 62.4 | Low | 8 Ų | 8 | 79.3 Ų | 79.3 | 3% | 0.031 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144 | -178.5 | -71.7 | -103.3 | 0 | 0 | 0 | 109.6 | L586 L673 R675 F712 I713 V714 E727 I729 | L586-Y677 HydrophobicContact CD2-CG 4.33Å; L673-Y677 HydrophobicContact CD1-CD2 3.84Å; L673-Y677 HydrophobicContact CD1-CE2 3.82Å; L673-Y677 HydrophobicContact CD2-CE2 3.92Å; L673-Y677 HydrophobicContact CG-CE2 4.35Å; R675-Y677 HydrophobicContact CB-CE2 3.9Å; R675-Y677 VanDerWaalsContact O-CD2 3.31Å; R675-Y677 WeakPolarHBondContact O-CD2 3.29Å; Y677-F712 HydrophobicContact CD1-CB 4.37Å; Y677-I713 CarbonylContact C-O 3.54Å; Y677-I713 VanDerWaalsContact CA-O 3.3Å; Y677-I713 WeakPolarHBondContact CA-O 3.19Å; Y677-V714 HydrophobicContact CD1-CG2 3.81Å; Y677-V714 HydrophobicContact CD2-CG2 4.35Å; Y677-V714 HydrophobicContact CE1-CB 4.46Å; Y677-V714 HydrophobicContact CE1-CG2 3.3Å; Y677-V714 HydrophobicContact CE2-CG2 3.89Å; Y677-V714 HydrophobicContact CG-CG2 4.3Å; Y677-E727 HydrophobicContact CE1-CG 4.41Å; Y677-E727 WeakPolarHBondContact CE1-O 3.38Å; Y677-I729 HydrophobicContact CD1-CB 4.4Å; Y677-I729 HydrophobicContact CD1-CD1 4.26Å; Y677-I729 HydrophobicContact CD1-CG1 4.37Å; Y677-I729 HydrophobicContact CE1-CB 4.11Å; Y677-I729 HydrophobicContact CE1-CD1 3.49Å; Y677-I729 VanDerWaalsContact CE1-CD1 3.49Å; Y677-I729 HydrophobicContact CE1-CG1 3.61Å; Y677-I729 HydrophobicContact CE2-CD1 4.08Å; Y677-I729 WeakPolarHBondContact OH-CD1 3.42Å |
| 678 | I | 73 | Confident | 60.8 | Low | 70 Ų | 70 | 76.2 Ų | 76.2 | 36% | 0.359 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.8 | 174.6 | 53.2 | 172 | 0 | 0 | 0 | 111 | A680 F712 I713 E715 | I678-A680 PolarHBondContact O-N 3.01Å; I678-F712 VanDerWaalsContact C-CD1 3.41Å; I678-F712 CarbonylContact O-C 3.48Å; I678-F712 VanDerWaalsContact O-CA 3.26Å; I678-F712 WeakPolarHBondContact O-CA 3.23Å; I678-I713 HydrophobicContact CG1-CG1 3.91Å; I678-I713 PolarHBondContact N-O 2.96Å; I678-I713 PolarHBondContact O-N 2.7Å; I678-E715 HydrophobicContact CB-CG 4.42Å; I678-E715 HydrophobicContact CD1-CG 4.37Å; I678-E715 HydrophobicContact CG1-CG 4.1Å; I678-E715 HydrophobicContact CG2-CG 3.66Å; I678-E715 VanDerWaalsContact CG2-OE1 3.29Å; I678-E715 WeakPolarHBondContact CG2-OE1 3.3Å |
| 679 | E | 75.7 | Confident | 59 | Low | 38 Ų | 38 | 76.4 Ų | 76.4 | 18% | 0.178 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 125.4 | 177.5 | -174.7 | 162 | 178.9 | 0 | 0 | 110.4 | T588 H592 Y681 Y692 V710 F712 | T588-E679 WeakPolarHBondContact CB-OE2 3.42Å; T588-E679 PolarHBondContact OG1-OE2 2.79Å; H592-E679 IonicContact CD2-OE2 3.56Å; H592-E679 IonicContact NE2-OE2 3.61Å; E679-Y681 PolarHBondContact O-N 3.02Å; E679-Y681 VanDerWaalsContact O-N 3.14Å; E679-Y692 VanDerWaalsContact OE1-CE2 3.25Å; E679-Y692 WeakPolarHBondContact OE1-CE2 3.28Å; E679-Y692 PolarHBondContact OE1-OH 2.83Å; E679-Y692 PolarHBondContact OE2-OH 2.82Å; E679-V710 HydrophobicContact CG-CG1 3.66Å; E679-V710 VanDerWaalsContact OE1-CG1 3.25Å; E679-V710 WeakPolarHBondContact OE1-CG1 3.25Å; E679-F712 HydrophobicContact CB-CD1 4.23Å; E679-F712 HydrophobicContact CB-CE1 3.86Å; E679-F712 HydrophobicContact CB-CZ 4.23Å |
| 680 | A | 65.6 | Low | 58 | Low | 10 Ų | 10 | 71.9 Ų | 71.9 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | trans | -86.8 | 88.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I678 S682 A683 K711 I713 | I678-A680 PolarHBondContact O-N 3.01Å; A680-S682 PolarHBondContact O-N 3.01Å; A680-A683 HydrophobicContact CB-CB 3.8Å; A680-A683 PolarHBondContact O-N 2.71Å; A680-K711 HydrophobicContact CB-CB 4.42Å; A680-K711 HydrophobicContact CB-CD 4.49Å; A680-K711 HydrophobicContact CB-CG 4.3Å; A680-K711 VanDerWaalsContact CB-O 3.3Å; A680-K711 WeakPolarHBondContact CB-O 3.34Å; A680-K711 PolarHBondContact N-O 2.67Å; A680-I713 HydrophobicContact CB-CD1 4.18Å; A680-I713 HydrophobicContact CB-CG1 4.06Å; A680-I713 HydrophobicContact CB-CG2 4.07Å | ||
| 681 | Y | 53 | Low | 56.6 | Low | 164 Ų | 164 | 72.2 Ų | 72.2 | 64% | 0.643 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -27.9 | 94.7 | 176.5 | -71.2 | -93.5 | 0 | 0 | 0 | 113.9 | E679 A683 Y765 | E679-Y681 PolarHBondContact O-N 3.02Å; E679-Y681 VanDerWaalsContact O-N 3.14Å; Y681-A683 PolarHBondContact O-N 2.76Å; Y681-Y765 WeakPolarHBondContact OH-CB 3.35Å |
| 682 | S | 40.1 | Very low | 55.6 | Low | 84 Ų | 84 | 68.7 Ų | 68.7 | 59% | 0.587 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 32 | 179.9 | -168.9 | 0 | 0 | 0 | 0 | 115.6 | A680 S684 | A680-S682 PolarHBondContact O-N 3.01Å; S682-S684 PolarHBondContact O-N 2.79Å |
| 683 | A | 29.6 | Very low | 55.3 | Low | 48 Ų | 48 | 67.8 Ų | 67.8 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | trans | -79.4 | 28.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A680 Y681 K711 | A680-A683 HydrophobicContact CB-CB 3.8Å; A680-A683 PolarHBondContact O-N 2.71Å; Y681-A683 PolarHBondContact O-N 2.76Å; A683-K711 HydrophobicContact CB-CD 4.35Å; A683-K711 WeakPolarHBondContact O-CE 3.03Å; A683-K711 PolarHBondContact O-NZ 3.37Å | ||
| 684 | S | 31.5 | Very low | 55.4 | Low | 67 Ų | 67 | 68.2 Ų | 68.2 | 47% | 0.469 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -77.2 | 136 | 164.5 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | S682 K686 | S682-S684 PolarHBondContact O-N 2.79Å; S684-K686 CarbonylContact O-C 3.49Å; S684-K686 PolarHBondContact O-N 3.49Å; S684-K686 PolarHBondContact OG-O 2.73Å; S684-K686 VanDerWaalsContact OG-O 3.07Å |
| 685 | D | 34.8 | Very low | 56.3 | Low | 154 Ų | 154 | 63.3 Ų | 63.3 | 82% | 0.824 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -66.2 | 16.9 | -179.9 | -53.8 | -92.9 | 0 | 0 | 0 | 114.9 | K711 | D685-K711 IonicContact OD2-NZ 3.78Š|
| 686 | K | 34.8 | Very low | 57 | Low | 149 Ų | 149 | 61.1 Ų | 61.1 | 65% | 0.648 | 32% | 0.321 | S | S | * | . | trans | -137.2 | 113.1 | 165.9 | -68.3 | -178.2 | -177.4 | 176.9 | 0 | 107.2 | S684 D688 | S684-K686 CarbonylContact O-C 3.49Å; S684-K686 PolarHBondContact O-N 3.49Å; S684-K686 PolarHBondContact OG-O 2.73Å; S684-K686 VanDerWaalsContact OG-O 3.07Å; K686-D688 HydrophobicContact CB-CB 4.1Å; K686-D688 WeakPolarHBondContact CB-OD2 3.42Å; K686-D688 PolarHBondContact O-N 2.95Å | ||
| 687 | P | 32.5 | Very low | 57.7 | Low | 84 Ų | 84 | 60 Ų | 60 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | trans | -76.6 | 34.4 | 170.4 | 34.8 | -35.9 | 0 | 0 | 0 | 111.5 | ||||
| 688 | D | 36.4 | Very low | 58 | Low | 72 Ų | 72 | 60.1 Ų | 60.1 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | trans | -110.6 | 18.8 | -158 | -62.7 | -47.2 | 0 | 0 | 0 | 114.3 | K686 G811 A812 | K686-D688 HydrophobicContact CB-CB 4.1Å; K686-D688 WeakPolarHBondContact CB-OD2 3.42Å; K686-D688 PolarHBondContact O-N 2.95Å; D688-G811 WeakPolarHBondContact OD1-CA 3.47Å; D688-A812 WeakPolarHBondContact O-CB 3.38Å | ||
| 689 | K | 39.4 | Very low | 58.4 | Low | 132 Ų | 132 | 61 Ų | 61 | 57% | 0.574 | 32% | 0.32 | S | S | * | . | trans | -149.7 | 109.2 | 157.9 | -69 | -156.6 | 178.7 | -160.3 | 0 | 112 | Y691 E791 | K689-Y691 HydrophobicContact CB-CD2 4.41Å; K689-Y691 PolarHBondContact O-N 3.31Å; K689-E791 IonicContact NZ-OE1 2.84Å; K689-E791 PolarHBondContact NZ-OE1 2.01Å | ||
| 690 | T | 50.6 | Low | 58.7 | Low | 37 Ų | 37 | 65.4 Ų | 65.4 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | trans | -86.4 | 36.8 | 170 | 50 | 0 | 0 | 0 | 0 | 112.7 | A812 | T690-A812 WeakPolarHBondContact CB-O 3.04Å; T690-A812 VanDerWaalsContact CG2-O 3.25Å; T690-A812 WeakPolarHBondContact CG2-O 3.35Å; T690-A812 PolarHBondContact OG1-O 3.28Å | ||
| 691 | Y | 49.1 | Very low | 59.3 | Low | 27 Ų | 27 | 65.2 Ų | 65.2 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | trans | -120.9 | 121.9 | 180 | -44.9 | -44.4 | 0 | 0 | 0 | 108.5 | K689 R759 P792 P794 | K689-Y691 HydrophobicContact CB-CD2 4.41Å; K689-Y691 PolarHBondContact O-N 3.31Å; Y691-R759 HydrophobicContact CD1-CB 4.21Å; Y691-R759 HydrophobicContact CD1-CG 4.12Å; Y691-R759 HydrophobicContact CE1-CG 4.49Å; Y691-P792 HydrophobicContact CD1-CB 4.45Å; Y691-P792 HydrophobicContact CD1-CG 4.01Å; Y691-P792 HydrophobicContact CD2-CG 4.5Å; Y691-P792 HydrophobicContact CE1-CB 3.68Å; Y691-P792 HydrophobicContact CE1-CG 3.73Å; Y691-P792 HydrophobicContact CE2-CB 4.3Å; Y691-P792 HydrophobicContact CE2-CG 4.19Å; Y691-P792 HydrophobicContact CG-CG 4.44Å; Y691-P792 PolarHBondContact OH-O 3.08Å; Y691-P794 WeakPolarHBondContact OH-CA 3.45Å | ||
| 692 | Y | 61.5 | Low | 60.9 | Low | 41 Ų | 41 | 61.5 Ų | 61.5 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -74.2 | -36.6 | -176.5 | -161.6 | -83 | 0 | 0 | 0 | 111.5 | P589 H592 E679 Q708 I758 L760 | P589-Y692 WeakPolarHBondContact CA-OH 3.35Å; P589-Y692 HydrophobicContact CB-CE1 4.07Å; P589-Y692 WeakPolarHBondContact CG-OH 3.46Å; H592-Y692 HydrophobicContact CB-CD1 3.73Å; H592-Y692 HydrophobicContact CB-CE1 3.47Å; H592-Y692 VanDerWaalsContact CB-CE1 3.47Å; H592-Y692 HydrophobicContact CB-CE2 4.28Å; H592-Y692 HydrophobicContact CB-CG 4.27Å; H592-Y692 AromaticContact CD2-CE1 4Å; H592-Y692 AromaticContact CD2-CE2 3.51Å; H592-Y692 AromaticContact CD2-CZ 3.34Å; H592-Y692 PolarHBondContact CD2-OH 2.81Å; H592-Y692 AromaticContact CG-CE1 3.98Å; H592-Y692 AromaticContact CG-CE2 3.91Å; H592-Y692 AromaticContact CG-CZ 3.76Å; E679-Y692 VanDerWaalsContact OE1-CE2 3.25Å; E679-Y692 WeakPolarHBondContact OE1-CE2 3.28Å; E679-Y692 PolarHBondContact OE1-OH 2.83Å; E679-Y692 PolarHBondContact OE2-OH 2.82Å; Y692-Q708 PolarHBondContact O-OE1 2.71Å; Y692-I758 PolarHBondContact N-O 2.94Å; Y692-L760 VanDerWaalsContact CB-CD1 3.46Å; Y692-L760 HydrophobicContact CD1-CD1 4.25Å; Y692-L760 HydrophobicContact CD2-CD1 3.67Å; Y692-L760 HydrophobicContact CG-CD1 3.5Å; Y692-L760 VanDerWaalsContact CG-CD1 3.5Å; Y692-L760 HydrophobicContact CG-CG 4.24Å |
| 693 | A | 74.8 | Confident | 63.4 | Low | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I593 F705 I758 | I593-A693 HydrophobicContact CD1-CB 3.33Å; A693-F705 HydrophobicContact CB-CD1 4.44Å; A693-I758 HydrophobicContact CB-CB 4.25Å; A693-I758 HydrophobicContact CB-CD1 4.36Å; A693-I758 PolarHBondContact N-O 3.22Å; A693-I758 PolarHBondContact O-N 2.99Å |
| 694 | N | 84.4 | Confident | 66.3 | Low | 27 Ų | 27 | 56.5 Ų | 56.5 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152 | 163.2 | 67.4 | -40.1 | 0 | 0 | 0 | 109.6 | P706 Q708 W755 Y756 Y757 | N694-P706 WeakPolarHBondContact O-CD 3.46Å; N694-P706 WeakPolarHBondContact OD1-CG 3.45Å; N694-Q708 PolarHBondContact OD1-NE2 2.78Å; N694-W755 HydrophobicContact CB-CE3 4.41Å; N694-Y756 CarbonylContact C-O 3.5Å; N694-Y756 WeakPolarHBondContact CA-O 3.5Å; N694-Y756 WeakPolarHBondContact CB-O 3.28Å; N694-Y757 HydrophobicContact CB-CD1 3.83Å; N694-Y757 HydrophobicContact CB-CE1 4.07Å; N694-Y757 HydrophobicContact CB-CG 4.26Å |
| 695 | Y | 89.8 | Confident | 69.2 | Low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 158.6 | 179.5 | 66.3 | -90.4 | 0 | 0 | 0 | 111.1 | Y612 L614 L617 I703 V704 F705 W755 Y756 I758 L787 | Y612-Y695 PolarHBondContact O-OH 3.5Å; L614-Y695 HydrophobicContact CD2-CD1 4Å; L614-Y695 HydrophobicContact CD2-CD2 4.24Å; L614-Y695 HydrophobicContact CD2-CE1 3.85Å; L614-Y695 HydrophobicContact CD2-CE2 4.09Å; L614-Y695 HydrophobicContact CD2-CG 4.18Å; L614-Y695 HydrophobicContact CG-CE1 4.3Å; L617-Y695 HydrophobicContact CD1-CD2 4.45Å; L617-Y695 HydrophobicContact CD1-CE2 3.55Å; Y695-I703 HydrophobicContact CD2-CG2 3.69Å; Y695-I703 HydrophobicContact CE2-CG2 4.44Å; Y695-I703 HydrophobicContact CG-CG2 4.11Å; Y695-V704 WeakPolarHBondContact CA-O 3.32Å; Y695-F705 HydrophobicContact CD1-CE1 4.15Å; Y695-F705 HydrophobicContact CG-CE1 4.31Å; Y695-F705 HydrophobicContact CG-CZ 4.47Å; Y695-W755 VanDerWaalsContact C-CE3 3.49Å; Y695-Y756 HydrophobicContact CD2-CD2 4.1Å; Y695-Y756 AromaticContact CE2-CD2 3.62Å; Y695-Y756 HydrophobicContact CE2-CD2 3.62Å; Y695-Y756 AromaticContact CE2-CG 4Å; Y695-Y756 HydrophobicContact CE2-CG 4Å; Y695-Y756 PolarHBondContact N-O 2.82Å; Y695-Y756 PolarHBondContact O-N 2.93Å; Y695-I758 HydrophobicContact CD1-CD1 3.87Å; Y695-I758 HydrophobicContact CD1-CG1 4.12Å; Y695-I758 HydrophobicContact CE1-CD1 3.84Å; Y695-I758 HydrophobicContact CE1-CG1 3.9Å; Y695-L787 HydrophobicContact CE1-CD1 3.92Å; Y695-L787 WeakPolarHBondContact OH-CD1 3.31Å |
| 696 | K | 88.5 | Confident | 71.7 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 158.1 | 171.6 | 65.2 | 174.5 | -169.9 | 155 | 0 | 110.7 | I703 V704 N753 E754 W755 | K696-I703 CarbonylContact O-C 3.6Å; K696-I703 WeakPolarHBondContact O-CA 3.45Å; K696-V704 HydrophobicContact CG-CB 4.29Å; K696-V704 PolarHBondContact N-O 3.03Å; K696-V704 PolarHBondContact O-N 2.82Å; K696-N753 PolarHBondContact NZ-OD1 3.27Å; K696-E754 VanDerWaalsContact CA-O 3.3Å; K696-E754 WeakPolarHBondContact CA-O 3.39Å; K696-E754 WeakPolarHBondContact CB-O 3.27Å; K696-W755 HydrophobicContact CB-CD2 4.14Å; K696-W755 HydrophobicContact CB-CE3 3.72Å; K696-W755 HydrophobicContact CB-CH2 4.44Å; K696-W755 HydrophobicContact CB-CZ3 3.86Å; K696-W755 HydrophobicContact CD-CD2 4.33Å; K696-W755 HydrophobicContact CD-CE3 4.3Å; K696-W755 HydrophobicContact CD-CH2 3.67Å; K696-W755 HydrophobicContact CD-CZ2 3.73Å; K696-W755 HydrophobicContact CD-CZ3 3.96Å; K696-W755 HydrophobicContact CG-CD2 4.48Å; K696-W755 HydrophobicContact CG-CE3 4Å; K696-W755 HydrophobicContact CG-CH2 3.8Å; K696-W755 HydrophobicContact CG-CZ2 4.32Å; K696-W755 HydrophobicContact CG-CZ3 3.62Å |
| 697 | I | 87.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 117.4 | 170.5 | -65.4 | 157.9 | 0 | 0 | 0 | 107.9 | L617 R702 I703 L744 I750 K752 N753 | L617-I697 HydrophobicContact CD1-CD1 4.15Å; L617-I697 HydrophobicContact CD2-CD1 3.77Å; I697-R702 WeakPolarHBondContact CA-O 3.24Å; I697-I703 HydrophobicContact CG1-CG1 4.41Å; I697-L744 HydrophobicContact CB-CD2 4.49Å; I697-L744 HydrophobicContact CD1-CD2 3.89Å; I697-L744 HydrophobicContact CG1-CD2 3.81Å; I697-L744 HydrophobicContact CG2-CD2 3.84Å; I697-I750 HydrophobicContact CD1-CB 4.19Å; I697-I750 HydrophobicContact CD1-CD1 3.9Å; I697-I750 HydrophobicContact CD1-CG2 3.75Å; I697-K752 WeakPolarHBondContact O-CA 3.31Å; I697-N753 PolarHBondContact O-N 2.85Å |
| 698 | D | 86 | Confident | 76.6 | Confident | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | trans | -77.5 | 171.2 | -179.3 | 93.4 | -23.3 | 0 | 0 | 0 | 112.9 | H700 G701 R702 V704 K752 | D698-H700 PolarHBondContact O-N 2.8Å; D698-H700 VanDerWaalsContact O-N 3.14Å; D698-H700 WeakPolarHBondContact OD1-CA 3.25Å; D698-H700 WeakPolarHBondContact OD1-CB 3.02Å; D698-H700 IonicContact OD1-CG 3.25Å; D698-H700 PolarHBondContact OD1-N 3.34Å; D698-H700 IonicContact OD1-ND1 2.76Å; D698-H700 IonicContact OD2-CE1 3.82Å; D698-H700 IonicContact OD2-CG 3.97Å; D698-H700 IonicContact OD2-ND1 3.32Å; D698-H700 PolarHBondContact OD2-ND1 3.47Å; D698-G701 PolarHBondContact O-N 3.4Å; D698-G701 PolarHBondContact OD1-N 3.24Å; D698-R702 PolarHBondContact N-O 2.04Å; D698-R702 WeakPolarHBondContact OD1-CB 3.39Å; D698-R702 PolarHBondContact OD1-N 3.04Å; D698-R702 IonicContact OD1-NE 2.71Å; D698-R702 IonicContact OD2-CZ 2.74Å; D698-R702 IonicContact OD2-NE 3.17Å; D698-R702 PolarHBondContact OD2-NE 3.18Å; D698-R702 VanDerWaalsContact OD2-NE 3.16Å; D698-R702 IonicContact OD2-NH2 2.79Å; D698-R702 PolarHBondContact OD2-NH2 3.46Å; D698-V704 HydrophobicContact CB-CG2 4.15Å; D698-K752 PolarHBondContact O-NZ 3.16Å | ||
| 699 | D | 80.2 | Confident | 78.8 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 47% | 0.465 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -32.9 | -178.8 | -56.7 | -73.6 | 0 | 0 | 0 | 112.8 | G701 K752 N753 | D699-G701 VanDerWaalsContact C-N 3.32Å; D699-K752 PolarHBondContact O-NZ 2.91Å; D699-N753 PolarHBondContact OD1-ND2 3.27Å; D699-N753 PolarHBondContact OD2-ND2 3.31Å |
| 700 | H | 81.8 | Confident | 80.7 | Confident | 132 Ų | 132 | 40 Ų | 40 | 61% | 0.611 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14.1 | 177.7 | -45.5 | 93.6 | 0 | 0 | 0 | 113.4 | D698 R702 | D698-H700 PolarHBondContact O-N 2.8Å; D698-H700 VanDerWaalsContact O-N 3.14Å; D698-H700 WeakPolarHBondContact OD1-CA 3.25Å; D698-H700 WeakPolarHBondContact OD1-CB 3.02Å; D698-H700 IonicContact OD1-CG 3.25Å; D698-H700 PolarHBondContact OD1-N 3.34Å; D698-H700 IonicContact OD1-ND1 2.76Å; D698-H700 IonicContact OD2-CE1 3.82Å; D698-H700 IonicContact OD2-CG 3.97Å; D698-H700 IonicContact OD2-ND1 3.32Å; D698-H700 PolarHBondContact OD2-ND1 3.47Å; H700-R702 HydrophobicContact CB-CG 4.4Å |
| 701 | G | 78.3 | Confident | 82.1 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 101 | 11.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D698 D699 L744 | D698-G701 PolarHBondContact O-N 3.4Å; D698-G701 PolarHBondContact OD1-N 3.24Å; D699-G701 VanDerWaalsContact C-N 3.32Å; G701-L744 WeakPolarHBondContact CA-O 3.29Å; G701-L744 VanDerWaalsContact O-CB 3.25Å; G701-L744 WeakPolarHBondContact O-CB 3.37Å; G701-L744 WeakPolarHBondContact O-CD1 3.33Å; G701-L744 WeakPolarHBondContact O-CD2 3.31Å |
| 702 | R | 88 | Confident | 83.7 | Confident | 85 Ų | 85 | 38.4 Ų | 38.4 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | trans | -92.1 | 136.8 | -173.8 | -55.3 | 175.3 | -62.5 | 158.9 | 8.1 | 109.4 | I697 D698 H700 V704 V736 E738 | I697-R702 WeakPolarHBondContact CA-O 3.24Å; D698-R702 PolarHBondContact N-O 2.04Å; D698-R702 WeakPolarHBondContact OD1-CB 3.39Å; D698-R702 PolarHBondContact OD1-N 3.04Å; D698-R702 IonicContact OD1-NE 2.71Å; D698-R702 IonicContact OD2-CZ 2.74Å; D698-R702 IonicContact OD2-NE 3.17Å; D698-R702 PolarHBondContact OD2-NE 3.18Å; D698-R702 VanDerWaalsContact OD2-NE 3.16Å; D698-R702 IonicContact OD2-NH2 2.79Å; D698-R702 PolarHBondContact OD2-NH2 3.46Å; H700-R702 HydrophobicContact CB-CG 4.4Å; R702-V704 HydrophobicContact CB-CG2 4.27Å; R702-V704 PolarHBondContact O-N 2.95Å; R702-V736 HydrophobicContact CB-CG1 3.81Å; R702-V736 HydrophobicContact CG-CG1 4.44Å; R702-E738 WeakPolarHBondContact CD-OE1 3.29Å; R702-E738 HydrophobicContact CG-CG 4.1Å | ||
| 703 | I | 90.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 100.5 | 175.5 | -50.5 | 171 | 0 | 0 | 0 | 106.5 | L614 L617 F625 Y695 K696 I697 F705 V736 A737 L744 | L614-I703 HydrophobicContact CD2-CG2 4.05Å; L617-I703 HydrophobicContact CB-CD1 3.63Å; L617-I703 HydrophobicContact CD1-CD1 4.19Å; F625-I703 HydrophobicContact CE2-CD1 3.9Å; F625-I703 HydrophobicContact CZ-CD1 3.97Å; Y695-I703 HydrophobicContact CD2-CG2 3.69Å; Y695-I703 HydrophobicContact CE2-CG2 4.44Å; Y695-I703 HydrophobicContact CG-CG2 4.11Å; K696-I703 CarbonylContact O-C 3.6Å; K696-I703 WeakPolarHBondContact O-CA 3.45Å; I697-I703 HydrophobicContact CG1-CG1 4.41Å; I703-F705 HydrophobicContact CG2-CE2 4.02Å; I703-F705 HydrophobicContact CG2-CZ 4.49Å; I703-V736 WeakPolarHBondContact O-CA 3.38Å; I703-A737 HydrophobicContact CB-CB 4.11Å; I703-A737 HydrophobicContact CD1-CB 4.38Å; I703-A737 PolarHBondContact N-O 2.04Å; I703-A737 PolarHBondContact O-N 2.79Å; I703-L744 HydrophobicContact CD1-CD1 4.25Å; I703-L744 HydrophobicContact CD1-CD2 4.43Å; I703-L744 HydrophobicContact CG1-CD1 4.16Å; I703-L744 HydrophobicContact CG1-CD2 3.91Å |
| 704 | V | 91.4 | Very high | 84.6 | Confident | 28 Ų | 28 | 40 Ų | 40 | 17% | 0.17 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 111.3 | -175.8 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | Y695 K696 D698 R702 V736 | Y695-V704 WeakPolarHBondContact CA-O 3.32Å; K696-V704 HydrophobicContact CG-CB 4.29Å; K696-V704 PolarHBondContact N-O 3.03Å; K696-V704 PolarHBondContact O-N 2.82Å; D698-V704 HydrophobicContact CB-CG2 4.15Å; R702-V704 HydrophobicContact CB-CG2 4.27Å; R702-V704 PolarHBondContact O-N 2.95Å; V704-V736 HydrophobicContact CG2-CG2 4.4Å |
| 705 | F | 91.9 | Very high | 83.7 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 132.2 | 158.7 | -58 | -99.8 | 0 | 0 | 0 | 107.2 | I593 L614 A693 Y695 I703 W733 A735 I758 | I593-F705 HydrophobicContact CD1-CD1 3.98Å; I593-F705 HydrophobicContact CD1-CE1 3.59Å; I593-F705 HydrophobicContact CD1-CZ 4.37Å; I593-F705 HydrophobicContact CG1-CE1 4.46Å; I593-F705 HydrophobicContact CG2-CE1 4.39Å; I593-F705 HydrophobicContact CG2-CZ 4.13Å; L614-F705 HydrophobicContact CD1-CE1 4.37Å; L614-F705 HydrophobicContact CD1-CZ 3.8Å; L614-F705 HydrophobicContact CD2-CE2 4.46Å; L614-F705 HydrophobicContact CD2-CZ 3.74Å; L614-F705 HydrophobicContact CG-CZ 4.44Å; A693-F705 HydrophobicContact CB-CD1 4.44Å; Y695-F705 HydrophobicContact CD1-CE1 4.15Å; Y695-F705 HydrophobicContact CG-CE1 4.31Å; Y695-F705 HydrophobicContact CG-CZ 4.47Å; I703-F705 HydrophobicContact CG2-CE2 4.02Å; I703-F705 HydrophobicContact CG2-CZ 4.49Å; F705-W733 HydrophobicContact CB-CH2 4.27Å; F705-W733 HydrophobicContact CB-CZ3 4.03Å; F705-W733 HydrophobicContact CD1-CH2 4.25Å; F705-W733 HydrophobicContact CG-CH2 4.48Å; F705-W733 HydrophobicContact CG-CZ3 4.39Å; F705-A735 HydrophobicContact CB-CB 4.04Å; F705-A735 HydrophobicContact CD2-CB 3.76Å; F705-A735 HydrophobicContact CG-CB 4.14Å; F705-A735 PolarHBondContact N-O 2.79Å; F705-A735 PolarHBondContact O-N 2.84Å; F705-I758 HydrophobicContact CE1-CD1 4.37Å |
| 706 | P | 87.8 | Confident | 81.9 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 21% | 0.208 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 173.7 | -179.6 | 31.5 | -30.4 | 0 | 0 | 0 | 110.5 | N694 Q708 W755 | N694-P706 WeakPolarHBondContact O-CD 3.46Å; N694-P706 WeakPolarHBondContact OD1-CG 3.45Å; P706-Q708 HydrophobicContact CG-CG 4.15Å; P706-Q708 PolarHBondContact O-N 2.03Å; P706-W755 HydrophobicContact CB-CH2 3.87Å; P706-W755 HydrophobicContact CB-CZ3 4.38Å; P706-W755 HydrophobicContact CG-CH2 3.96Å; P706-W755 HydrophobicContact CG-CZ3 4.01Å |
| 707 | E | 86.8 | Confident | 79.8 | Confident | 141 Ų | 141 | 55.5 Ų | 55.5 | 66% | 0.659 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 121.1 | 163.8 | -168.9 | 177.5 | 87.7 | 0 | 0 | 109.6 | H732 W733 | E707-H732 HydrophobicContact CG-CB 4.36Å; E707-W733 CarbonylContact C-O 3.56Å; E707-W733 WeakPolarHBondContact CA-O 3.34Å |
| 708 | Q | 83.2 | Confident | 77.6 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 156 | 175.6 | -62.4 | -165.3 | -20.1 | 0 | 0 | 108.9 | Y692 N694 P706 H732 W733 | Y692-Q708 PolarHBondContact O-OE1 2.71Å; N694-Q708 PolarHBondContact OD1-NE2 2.78Å; P706-Q708 HydrophobicContact CG-CG 4.15Å; P706-Q708 PolarHBondContact O-N 2.03Å; Q708-H732 CarbonylContact O-C 3.22Å; Q708-H732 WeakPolarHBondContact O-CA 3.4Å; Q708-W733 HydrophobicContact CB-CZ2 4.33Å; Q708-W733 PolarHBondContact N-O 3.18Å; Q708-W733 PolarHBondContact O-N 2.86Å |
| 709 | T | 82.9 | Confident | 75.6 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 117.2 | -175.8 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | N730 H732 | T709-N730 HydrophobicContact CG2-CB 3.92Å; T709-H732 WeakPolarHBondContact CG2-ND1 3.2Å; T709-H732 PolarHBondContact OG1-CE1 2.72Å; T709-H732 PolarHBondContact OG1-ND1 3.31Å |
| 710 | V | 79.5 | Confident | 73.7 | Confident | 18 Ų | 18 | 68 Ų | 68 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.3 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | P589 E679 F712 V731 | P589-V710 HydrophobicContact CG-CB 4.29Å; P589-V710 HydrophobicContact CG-CG1 4.46Å; P589-V710 HydrophobicContact CG-CG2 3.95Å; E679-V710 HydrophobicContact CG-CG1 3.66Å; E679-V710 VanDerWaalsContact OE1-CG1 3.25Å; E679-V710 WeakPolarHBondContact OE1-CG1 3.25Å; V710-F712 HydrophobicContact CB-CE2 4.03Å; V710-F712 HydrophobicContact CG1-CD2 4.04Å; V710-F712 HydrophobicContact CG1-CE2 3.48Å; V710-F712 VanDerWaalsContact CG1-CE2 3.48Å; V710-F712 HydrophobicContact CG1-CZ 4.13Å; V710-V731 PolarHBondContact N-O 3.05Å; V710-V731 PolarHBondContact O-N 3.26Å |
| 711 | K | 79.2 | Confident | 71.7 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.7 | -178.8 | -176.9 | -173.8 | -76.2 | -165.1 | 0 | 109.5 | A680 A683 D685 E728 | A680-K711 HydrophobicContact CB-CB 4.42Å; A680-K711 HydrophobicContact CB-CD 4.49Å; A680-K711 HydrophobicContact CB-CG 4.3Å; A680-K711 VanDerWaalsContact CB-O 3.3Å; A680-K711 WeakPolarHBondContact CB-O 3.34Å; A680-K711 PolarHBondContact N-O 2.67Å; A683-K711 HydrophobicContact CB-CD 4.35Å; A683-K711 WeakPolarHBondContact O-CE 3.03Å; A683-K711 PolarHBondContact O-NZ 3.37Å; D685-K711 IonicContact OD2-NZ 3.78Å; K711-E728 HydrophobicContact CD-CG 4.12Å; K711-E728 VanDerWaalsContact CD-OE2 3.28Å; K711-E728 WeakPolarHBondContact CD-OE2 3.2Å; K711-E728 WeakPolarHBondContact CE-OE2 3.41Å; K711-E728 HydrophobicContact CG-CG 4.41Å; K711-E728 IonicContact NZ-OE2 3.72Å; K711-E728 PolarHBondContact NZ-OE2 3.36Å |
| 712 | F | 83.4 | Confident | 69.8 | Low | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 149.3 | 176.2 | -73.7 | -104.5 | 0 | 0 | 0 | 111.2 | L586 T588 Y677 I678 E679 V710 E728 I729 V731 | L586-F712 HydrophobicContact CB-CZ 4.45Å; L586-F712 HydrophobicContact CD2-CB 3.8Å; L586-F712 HydrophobicContact CD2-CD1 3.34Å; L586-F712 HydrophobicContact CD2-CD2 4Å; L586-F712 HydrophobicContact CD2-CE1 3.8Å; L586-F712 HydrophobicContact CD2-CE2 4.38Å; L586-F712 HydrophobicContact CD2-CG 3.45Å; L586-F712 VanDerWaalsContact CD2-CG 3.45Å; L586-F712 HydrophobicContact CD2-CZ 4.29Å; L586-F712 WeakPolarHBondContact O-CZ 3.46Å; T588-F712 VanDerWaalsContact OG1-CZ 3.24Å; T588-F712 WeakPolarHBondContact OG1-CZ 3.48Å; Y677-F712 HydrophobicContact CD1-CB 4.37Å; I678-F712 VanDerWaalsContact C-CD1 3.41Å; I678-F712 CarbonylContact O-C 3.48Å; I678-F712 VanDerWaalsContact O-CA 3.26Å; I678-F712 WeakPolarHBondContact O-CA 3.23Å; E679-F712 HydrophobicContact CB-CD1 4.23Å; E679-F712 HydrophobicContact CB-CE1 3.86Å; E679-F712 HydrophobicContact CB-CZ 4.23Å; V710-F712 HydrophobicContact CB-CE2 4.03Å; V710-F712 HydrophobicContact CG1-CD2 4.04Å; V710-F712 HydrophobicContact CG1-CE2 3.48Å; V710-F712 VanDerWaalsContact CG1-CE2 3.48Å; V710-F712 HydrophobicContact CG1-CZ 4.13Å; F712-E728 WeakPolarHBondContact O-CA 3.05Å; F712-I729 PolarHBondContact N-O 3.23Å; F712-I729 PolarHBondContact O-N 3.42Å; F712-V731 HydrophobicContact CD2-CB 3.91Å; F712-V731 HydrophobicContact CD2-CG2 3.35Å; F712-V731 HydrophobicContact CE2-CB 3.78Å; F712-V731 HydrophobicContact CE2-CG1 4.32Å; F712-V731 HydrophobicContact CE2-CG2 3.58Å; F712-V731 HydrophobicContact CG-CG2 4.23Å |
| 713 | I | 78.6 | Confident | 67.5 | Low | 49 Ų | 49 | 75.6 Ų | 75.6 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.4 | -179.1 | 52.7 | 177.1 | 0 | 0 | 0 | 111.5 | Y677 I678 A680 P726 E728 | Y677-I713 CarbonylContact C-O 3.54Å; Y677-I713 VanDerWaalsContact CA-O 3.3Å; Y677-I713 WeakPolarHBondContact CA-O 3.19Å; I678-I713 HydrophobicContact CG1-CG1 3.91Å; I678-I713 PolarHBondContact N-O 2.96Å; I678-I713 PolarHBondContact O-N 2.7Å; A680-I713 HydrophobicContact CB-CD1 4.18Å; A680-I713 HydrophobicContact CB-CG1 4.06Å; A680-I713 HydrophobicContact CB-CG2 4.07Å; I713-P726 HydrophobicContact CG2-CB 4.3Å; I713-P726 HydrophobicContact CG2-CG 4.37Å; I713-E728 HydrophobicContact CG2-CG 3.76Å |
| 714 | V | 76.4 | Confident | 65.4 | Low | 28 Ų | 28 | 81.7 Ų | 81.7 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 133.1 | 173.8 | 167.8 | 0 | 0 | 0 | 0 | 111.9 | S676 Y677 H716 E727 | S676-V714 WeakPolarHBondContact O-CA 3.14Å; Y677-V714 HydrophobicContact CD1-CG2 3.81Å; Y677-V714 HydrophobicContact CD2-CG2 4.35Å; Y677-V714 HydrophobicContact CE1-CB 4.46Å; Y677-V714 HydrophobicContact CE1-CG2 3.3Å; Y677-V714 HydrophobicContact CE2-CG2 3.89Å; Y677-V714 HydrophobicContact CG-CG2 4.3Å; V714-H716 VanDerWaalsContact CG1-O 3.27Å; V714-H716 WeakPolarHBondContact CG1-O 3.5Å; V714-E727 HydrophobicContact CB-CB 4.41Å; V714-E727 HydrophobicContact CG2-CB 3.76Å; V714-E727 HydrophobicContact CG2-CG 4.21Å; V714-E727 PolarHBondContact N-O 2.8Å |
| 715 | E | 64.5 | Low | 63.1 | Low | 73 Ų | 73 | 88 Ų | 88 | 34% | 0.341 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -70.2 | -42.8 | 177.5 | -62.7 | -176.9 | 122 | 0 | 0 | 113.1 | R585 S676 I678 | R585-E715 IonicContact NH1-OE2 2.84Å; R585-E715 PolarHBondContact NH1-OE2 2.02Å; S676-E715 WeakPolarHBondContact CB-OE2 3.31Å; S676-E715 PolarHBondContact O-N 2.93Å; S676-E715 PolarHBondContact OG-OE2 2.68Å; I678-E715 HydrophobicContact CB-CG 4.42Å; I678-E715 HydrophobicContact CD1-CG 4.37Å; I678-E715 HydrophobicContact CG1-CG 4.1Å; I678-E715 HydrophobicContact CG2-CG 3.66Å; I678-E715 VanDerWaalsContact CG2-OE1 3.29Å; I678-E715 WeakPolarHBondContact CG2-OE1 3.3Å |
| 716 | H | 53.6 | Low | 61.3 | Low | 149 Ų | 149 | 90.6 Ų | 90.6 | 69% | 0.69 | 47% | 0.467 | S | S | * | . | trans | -113.1 | 116.3 | -170.3 | -91.5 | -64.9 | 0 | 0 | 0 | 113.5 | V714 D718 | V714-H716 VanDerWaalsContact CG1-O 3.27Å; V714-H716 WeakPolarHBondContact CG1-O 3.5Å; H716-D718 PolarHBondContact O-N 3.42Å | ||
| 717 | R | 43.3 | Very low | 60.2 | Low | 174 Ų | 174 | 92.6 Ų | 92.6 | 66% | 0.657 | 47% | 0.473 | S | S | * | . | trans | -73.8 | 112 | 162 | -88.4 | -178.3 | 157.2 | 153.3 | -3.3 | 110.5 | S719 S723 N724 | R717-S719 PolarHBondContact O-N 2.99Å; R717-S723 PolarHBondContact NH2-O 3.33Å; R717-N724 PolarHBondContact NH2-O 2.78Å | ||
| 718 | D | 41.6 | Very low | 59.6 | Low | 100 Ų | 100 | 89 Ų | 89 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | trans | -54.8 | 118.4 | 158.1 | -80.5 | -54.3 | 0 | 0 | 0 | 109.2 | R675 H716 N720 E721 | R675-D718 IonicContact CZ-OD2 2.68Å; R675-D718 IonicContact NE-OD2 2.96Å; R675-D718 IonicContact NH2-OD2 3.64Å; R675-D718 PolarHBondContact NH2-OD2 2.82Å; H716-D718 PolarHBondContact O-N 3.42Å; D718-N720 PolarHBondContact O-N 2.93Å; D718-E721 PolarHBondContact O-N 3.41Å | ||
| 719 | S | 44.1 | Very low | 59.6 | Low | 116 Ų | 116 | 87.6 Ų | 87.6 | 81% | 0.811 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 9.7 | -167.3 | 66.9 | 0 | 0 | 0 | 0 | 115.7 | R717 | R717-S719 PolarHBondContact O-N 2.99Š|
| 720 | N | 40.5 | Very low | 59.6 | Low | 145 Ų | 145 | 86 Ų | 86 | 78% | 0.775 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -11.3 | -172 | -67 | -31.4 | 0 | 0 | 0 | 114 | D718 | D718-N720 PolarHBondContact O-N 2.93Š|
| 721 | E | 38.9 | Very low | 59.9 | Low | 148 Ų | 148 | 85.1 Ų | 85.1 | 69% | 0.692 | 43% | 0.433 | S | S | * | . | trans | -115.2 | 108.8 | 179.7 | -64.4 | -160 | 143.2 | 0 | 0 | 111.6 | D718 S723 | D718-E721 PolarHBondContact O-N 3.41Å; E721-S723 PolarHBondContact O-N 3.18Å | ||
| 722 | I | 38.7 | Very low | 60.4 | Low | 164 Ų | 164 | 85.6 Ų | 85.6 | 84% | 0.841 | 44% | 0.436 | S | S | * | . | trans | -80.8 | 68.3 | -179.4 | -50.8 | 174.4 | 0 | 0 | 0 | 109.6 | ||||
| 723 | S | 40 | Very low | 60.8 | Low | 72 Ų | 72 | 85.7 Ų | 85.7 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | trans | -88.7 | 118.1 | 159.2 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | R717 E721 F725 | R717-S723 PolarHBondContact NH2-O 3.33Å; E721-S723 PolarHBondContact O-N 3.18Å; S723-F725 VanDerWaalsContact C-N 3.27Å; S723-F725 PolarHBondContact O-N 2.91Å; S723-F725 PolarHBondContact OG-O 3.03Å | ||
| 724 | N | 46.2 | Very low | 61.4 | Low | 127 Ų | 127 | 84.5 Ų | 84.5 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -75.1 | -15.3 | -174.8 | -83.2 | -8.7 | 0 | 0 | 0 | 114 | R717 | R717-N724 PolarHBondContact NH2-O 2.78Š|
| 725 | F | 45 | Very low | 62.2 | Low | 160 Ų | 160 | 83.2 Ų | 83.2 | 70% | 0.702 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -101.4 | 142.5 | 174.8 | -61 | -83.2 | 0 | 0 | 0 | 109.9 | S723 | S723-F725 VanDerWaalsContact C-N 3.27Å; S723-F725 PolarHBondContact O-N 2.91Å; S723-F725 PolarHBondContact OG-O 3.03Å |
| 726 | P | 52.7 | Low | 63.5 | Low | 60 Ų | 60 | 81.6 Ų | 81.6 | 39% | 0.39 | 42% | 0.419 | S | S | . | . | trans | -59 | 150.6 | 166.3 | 28.2 | -33.3 | 0 | 0 | 0 | 109.5 | I713 E728 | I713-P726 HydrophobicContact CG2-CB 4.3Å; I713-P726 HydrophobicContact CG2-CG 4.37Å; P726-E728 VanDerWaalsContact C-N 3.33Å; P726-E728 HydrophobicContact CG-CG 4.28Å; P726-E728 PolarHBondContact O-N 3.21Å | ||
| 727 | E | 66 | Low | 65.2 | Low | 75 Ų | 75 | 74.5 Ų | 74.5 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | trans | -74.6 | 94.6 | 172 | -178.2 | 160.7 | -141.5 | 0 | 0 | 107.9 | R675 Y677 V714 | R675-E727 IonicContact CZ-OE2 3.47Å; R675-E727 IonicContact NH1-OE2 2.83Å; R675-E727 PolarHBondContact NH1-OE2 3.48Å; Y677-E727 HydrophobicContact CE1-CG 4.41Å; Y677-E727 WeakPolarHBondContact CE1-O 3.38Å; V714-E727 HydrophobicContact CB-CB 4.41Å; V714-E727 HydrophobicContact CG2-CB 3.76Å; V714-E727 HydrophobicContact CG2-CG 4.21Å; V714-E727 PolarHBondContact N-O 2.8Å | ||
| 728 | E | 73.6 | Confident | 67.1 | Low | 66 Ų | 66 | 70.9 Ų | 70.9 | 31% | 0.308 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.7 | 174.9 | -76.4 | 171.5 | -140.9 | 0 | 0 | 110.6 | K711 F712 I713 P726 | K711-E728 HydrophobicContact CD-CG 4.12Å; K711-E728 VanDerWaalsContact CD-OE2 3.28Å; K711-E728 WeakPolarHBondContact CD-OE2 3.2Å; K711-E728 WeakPolarHBondContact CE-OE2 3.41Å; K711-E728 HydrophobicContact CG-CG 4.41Å; K711-E728 IonicContact NZ-OE2 3.72Å; K711-E728 PolarHBondContact NZ-OE2 3.36Å; F712-E728 WeakPolarHBondContact O-CA 3.05Å; I713-E728 HydrophobicContact CG2-CG 3.76Å; P726-E728 VanDerWaalsContact C-N 3.33Å; P726-E728 HydrophobicContact CG-CG 4.28Å; P726-E728 PolarHBondContact O-N 3.21Å |
| 729 | I | 82 | Confident | 68.9 | Low | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.7 | 167.9 | -73.8 | -174.9 | 0 | 0 | 0 | 108 | I633 V636 L673 Y677 F712 V731 | I633-I729 HydrophobicContact CG2-CG2 3.36Å; V636-I729 HydrophobicContact CG2-CD1 4.37Å; L673-I729 HydrophobicContact CD1-CD1 4.31Å; L673-I729 HydrophobicContact CD2-CD1 4.08Å; Y677-I729 HydrophobicContact CD1-CB 4.4Å; Y677-I729 HydrophobicContact CD1-CD1 4.26Å; Y677-I729 HydrophobicContact CD1-CG1 4.37Å; Y677-I729 HydrophobicContact CE1-CB 4.11Å; Y677-I729 HydrophobicContact CE1-CD1 3.49Å; Y677-I729 VanDerWaalsContact CE1-CD1 3.49Å; Y677-I729 HydrophobicContact CE1-CG1 3.61Å; Y677-I729 HydrophobicContact CE2-CD1 4.08Å; Y677-I729 WeakPolarHBondContact OH-CD1 3.42Å; F712-I729 PolarHBondContact N-O 3.23Å; F712-I729 PolarHBondContact O-N 3.42Å; I729-V731 HydrophobicContact CG2-CG2 4.09Å |
| 730 | N | 84.4 | Confident | 70.4 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 24% | 0.235 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131.1 | 166.4 | -59.1 | -70.3 | 0 | 0 | 0 | 109.2 | E634 T709 | E634-N730 HydrophobicContact CG-CB 4.12Å; E634-N730 PolarHBondContact N-O 2.05Å; E634-N730 WeakPolarHBondContact OE2-CB 3.43Å; E634-N730 PolarHBondContact OE2-ND2 3.03Å; T709-N730 HydrophobicContact CG2-CB 3.92Å |
| 731 | V | 85.8 | Confident | 72.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 102 | 175.6 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | L586 F631 I633 V710 F712 I729 | L586-V731 HydrophobicContact CB-CG2 4.24Å; L586-V731 HydrophobicContact CD1-CG2 4.14Å; L586-V731 HydrophobicContact CD2-CG2 4.19Å; L586-V731 HydrophobicContact CG-CG2 4.44Å; F631-V731 HydrophobicContact CD1-CG1 3.51Å; F631-V731 HydrophobicContact CE1-CG1 3.82Å; I633-V731 HydrophobicContact CG1-CG1 4.23Å; I633-V731 HydrophobicContact CG1-CG2 4.27Å; I633-V731 HydrophobicContact CG2-CG2 4.28Å; V710-V731 PolarHBondContact N-O 3.05Å; V710-V731 PolarHBondContact O-N 3.26Å; F712-V731 HydrophobicContact CD2-CB 3.91Å; F712-V731 HydrophobicContact CD2-CG2 3.35Å; F712-V731 HydrophobicContact CE2-CB 3.78Å; F712-V731 HydrophobicContact CE2-CG1 4.32Å; F712-V731 HydrophobicContact CE2-CG2 3.58Å; F712-V731 HydrophobicContact CG-CG2 4.23Å; I729-V731 HydrophobicContact CG2-CG2 4.09Å |
| 732 | H | 88.9 | Confident | 74.2 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.4 | 170.8 | -54 | -77.8 | 0 | 0 | 0 | 107.7 | F631 D632 E707 Q708 T709 | F631-H732 CarbonylContact C-O 3.56Å; F631-H732 WeakPolarHBondContact CA-O 3.15Å; D632-H732 HydrophobicContact CB-CB 4.28Å; D632-H732 PolarHBondContact N-O 3.43Å; D632-H732 PolarHBondContact O-N 3.43Å; E707-H732 HydrophobicContact CG-CB 4.36Å; Q708-H732 CarbonylContact O-C 3.22Å; Q708-H732 WeakPolarHBondContact O-CA 3.4Å; T709-H732 WeakPolarHBondContact CG2-ND1 3.2Å; T709-H732 PolarHBondContact OG1-CE1 2.72Å; T709-H732 PolarHBondContact OG1-ND1 3.31Å |
| 733 | W | 91.2 | Very high | 76.3 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.3 | 175.9 | 77.2 | -90.4 | 0 | 0 | 0 | 110.2 | P589 I593 F629 Q630 F631 F705 E707 Q708 A735 | P589-W733 HydrophobicContact CB-CD2 4.02Å; P589-W733 HydrophobicContact CB-CG 4.06Å; P589-W733 HydrophobicContact CB-CZ2 4.28Å; P589-W733 HydrophobicContact CG-CG 4.36Å; I593-W733 HydrophobicContact CD1-CH2 3.95Å; I593-W733 HydrophobicContact CG1-CH2 3.8Å; I593-W733 HydrophobicContact CG1-CZ2 4.46Å; I593-W733 HydrophobicContact CG1-CZ3 4.33Å; F629-W733 HydrophobicContact CD1-CE3 4.01Å; F629-W733 HydrophobicContact CD1-CZ3 4.14Å; F629-W733 HydrophobicContact CE1-CE3 4.43Å; F629-W733 HydrophobicContact CE1-CZ3 4.17Å; Q630-W733 CarbonylContact O-C 3.36Å; Q630-W733 VanDerWaalsContact O-CA 3.3Å; Q630-W733 WeakPolarHBondContact O-CA 3.35Å; F631-W733 HydrophobicContact CD1-CB 3.8Å; F631-W733 HydrophobicContact CE1-CB 3.62Å; F631-W733 HydrophobicContact CE1-CG 4.37Å; F631-W733 HydrophobicContact CE2-CB 4.48Å; F631-W733 HydrophobicContact CG-CB 4.31Å; F631-W733 HydrophobicContact CZ-CB 3.97Å; F705-W733 HydrophobicContact CB-CH2 4.27Å; F705-W733 HydrophobicContact CB-CZ3 4.03Å; F705-W733 HydrophobicContact CD1-CH2 4.25Å; F705-W733 HydrophobicContact CG-CH2 4.48Å; F705-W733 HydrophobicContact CG-CZ3 4.39Å; E707-W733 CarbonylContact C-O 3.56Å; E707-W733 WeakPolarHBondContact CA-O 3.34Å; Q708-W733 HydrophobicContact CB-CZ2 4.33Å; Q708-W733 PolarHBondContact N-O 3.18Å; Q708-W733 PolarHBondContact O-N 2.86Å; W733-A735 HydrophobicContact CE3-CB 4.38Å; W733-A735 HydrophobicContact CZ3-CB 3.95Å |
| 734 | S | 92 | Very high | 78.3 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 164.4 | 166.7 | 62.5 | 0 | 0 | 0 | 0 | 108.6 | F629 Q630 | F629-S734 CarbonylContact C-O 3.45Å; F629-S734 VanDerWaalsContact CA-O 3.3Å; F629-S734 WeakPolarHBondContact CA-O 3.21Å; Q630-S734 PolarHBondContact N-O 3.08Å; Q630-S734 PolarHBondContact O-N 3.2Å |
| 735 | A | 92.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 143.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V627 L628 F629 F705 W733 | V627-A735 HydrophobicContact CG1-CB 3.97Å; L628-A735 WeakPolarHBondContact O-CA 3.46Å; F629-A735 HydrophobicContact CD1-CB 3.6Å; F629-A735 HydrophobicContact CE1-CB 3.93Å; F629-A735 HydrophobicContact CG-CB 4.06Å; F705-A735 HydrophobicContact CB-CB 4.04Å; F705-A735 HydrophobicContact CD2-CB 3.76Å; F705-A735 HydrophobicContact CG-CB 4.14Å; F705-A735 PolarHBondContact N-O 2.79Å; F705-A735 PolarHBondContact O-N 2.84Å; W733-A735 HydrophobicContact CE3-CB 4.38Å; W733-A735 HydrophobicContact CZ3-CB 3.95Å |
| 736 | V | 92.3 | Very high | 80.5 | Confident | 39 Ų | 39 | 42 Ų | 42 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 115.4 | 169 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | L628 R702 I703 V704 E738 | L628-V736 PolarHBondContact N-O 3.39Å; L628-V736 PolarHBondContact O-N 3.21Å; R702-V736 HydrophobicContact CB-CG1 3.81Å; R702-V736 HydrophobicContact CG-CG1 4.44Å; I703-V736 WeakPolarHBondContact O-CA 3.38Å; V704-V736 HydrophobicContact CG2-CG2 4.4Å; V736-E738 HydrophobicContact CG1-CG 4.31Å |
| 737 | A | 90 | Very high | 80.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 136.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F625 K626 V627 I703 | F625-A737 HydrophobicContact CE1-CB 4.26Å; F625-A737 HydrophobicContact CE2-CB 3.85Å; F625-A737 HydrophobicContact CZ-CB 3.55Å; K626-A737 CarbonylContact O-C 3.58Å; K626-A737 VanDerWaalsContact O-CA 3.22Å; K626-A737 WeakPolarHBondContact O-CA 3.22Å; V627-A737 HydrophobicContact CB-CB 4.21Å; V627-A737 HydrophobicContact CG1-CB 4.08Å; V627-A737 HydrophobicContact CG2-CB 3.81Å; I703-A737 HydrophobicContact CB-CB 4.11Å; I703-A737 HydrophobicContact CD1-CB 4.38Å; I703-A737 PolarHBondContact N-O 2.04Å; I703-A737 PolarHBondContact O-N 2.79Å |
| 738 | E | 82.5 | Confident | 80.6 | Confident | 99 Ų | 99 | 38.7 Ų | 38.7 | 46% | 0.463 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.5 | 177.6 | -58.3 | -168.4 | 160.9 | 0 | 0 | 109.3 | K626 R702 V736 | K626-E738 PolarHBondContact N-O 3.49Å; K626-E738 PolarHBondContact O-N 3.31Å; R702-E738 WeakPolarHBondContact CD-OE1 3.29Å; R702-E738 HydrophobicContact CG-CG 4.1Å; V736-E738 HydrophobicContact CG1-CG 4.31Å |
| 739 | S | 78.8 | Confident | 79.9 | Confident | 24 Ų | 24 | 37.7 Ų | 37.7 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | trans | -140.2 | 150.1 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | S741 | S739-S741 PolarHBondContact O-N 3.01Å; S739-S741 VanDerWaalsContact O-N 3.12Å; S739-S741 PolarHBondContact OG-N 2.91Å | ||
| 740 | E | 76.8 | Confident | 79.3 | Confident | 143 Ų | 143 | 37.8 Ų | 37.8 | 67% | 0.668 | 20% | 0.198 | S | C | * | . | trans | -79.3 | 20.8 | 171.4 | -59.9 | -173.7 | 149 | 0 | 0 | 112.4 | R623 | R623-E740 VanDerWaalsContact CD-OE2 3.31Å; R623-E740 WeakPolarHBondContact CD-OE2 3.39Å; R623-E740 IonicContact CZ-OE2 2.69Å; R623-E740 IonicContact NE-OE2 3.93Å; R623-E740 IonicContact NH1-OE2 3.59Å; R623-E740 PolarHBondContact NH1-OE2 2.97Å | ||
| 741 | S | 79.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | trans | -62.8 | 134.3 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | L617 S739 L743 L744 | L617-S741 WeakPolarHBondContact O-CB 3.42Å; L617-S741 PolarHBondContact O-OG 2.83Å; S739-S741 PolarHBondContact O-N 3.01Å; S739-S741 VanDerWaalsContact O-N 3.12Å; S739-S741 PolarHBondContact OG-N 2.91Å; S741-L743 PolarHBondContact O-N 3.12Å; S741-L744 WeakPolarHBondContact O-CB 3.41Å; S741-L744 PolarHBondContact O-N 3.42Å | ||
| 742 | C | 79.5 | Confident | 78.1 | Confident | 17 Ų | 17 | 39.8 Ų | 39.8 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -61.6 | -28.8 | 177.9 | 69.8 | 0 | 0 | 0 | 0 | 112.4 | C510 L744 K745 | C510-C742 VanDerWaalsContact C-SG 3.57Å; C510-C742 WeakPolarHBondContact CA-SG 3.36Å; C510-C742 HydrophobicContact CB-CB 3.41Å; C510-C742 VanDerWaalsContact CB-CB 3.41Å; C510-C742 WeakPolarHBondContact CB-SG 3.25Å; C510-C742 WeakPolarHBondContact SG-CB 3.47Å; C510-C742 CovalentContact SG-SG 2.03Å; C510-C742 PolarHBondContact SG-SG 3.02Å; C742-L744 PolarHBondContact O-N 2.82Å; C742-L744 VanDerWaalsContact O-N 3.14Å; C742-K745 WeakPolarHBondContact O-CB 3.28Å; C742-K745 PolarHBondContact O-N 2.99Å |
| 743 | L | 81.6 | Confident | 77.7 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -61 | -18.1 | 174.7 | -76.8 | 175.4 | 0 | 0 | 0 | 113.7 | I512 Y612 T616 L617 S741 S748 I750 | I512-L743 HydrophobicContact CG2-CD1 3.83Å; I512-L743 HydrophobicContact CG2-CD2 3.43Å; I512-L743 VanDerWaalsContact CG2-CD2 3.43Å; I512-L743 HydrophobicContact CG2-CG 3.65Å; Y612-L743 HydrophobicContact CD1-CD1 4.3Å; T616-L743 HydrophobicContact CG2-CD1 4.14Å; L617-L743 HydrophobicContact CD2-CB 4.39Å; L617-L743 HydrophobicContact CD2-CD1 4.28Å; S741-L743 PolarHBondContact O-N 3.12Å; L743-S748 VanDerWaalsContact O-CB 3.31Å; L743-S748 WeakPolarHBondContact O-CB 3.13Å; L743-S748 PolarHBondContact O-OG 3.42Å; L743-I750 HydrophobicContact CB-CD1 3.81Å; L743-I750 HydrophobicContact CD1-CD1 4.12Å; L743-I750 HydrophobicContact CD2-CD1 3.68Å; L743-I750 HydrophobicContact CD2-CG1 3.84Å; L743-I750 HydrophobicContact CG-CD1 4.08Å |
| 744 | L | 82.3 | Confident | 77.3 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -98.3 | -17.9 | -178.4 | -64.4 | -175.9 | 0 | 0 | 0 | 112.9 | L617 I697 G701 I703 S741 C742 K752 | L617-L744 HydrophobicContact CD2-CD2 4.45Å; I697-L744 HydrophobicContact CB-CD2 4.49Å; I697-L744 HydrophobicContact CD1-CD2 3.89Å; I697-L744 HydrophobicContact CG1-CD2 3.81Å; I697-L744 HydrophobicContact CG2-CD2 3.84Å; G701-L744 WeakPolarHBondContact CA-O 3.29Å; G701-L744 VanDerWaalsContact O-CB 3.25Å; G701-L744 WeakPolarHBondContact O-CB 3.37Å; G701-L744 WeakPolarHBondContact O-CD1 3.33Å; G701-L744 WeakPolarHBondContact O-CD2 3.31Å; I703-L744 HydrophobicContact CD1-CD1 4.25Å; I703-L744 HydrophobicContact CD1-CD2 4.43Å; I703-L744 HydrophobicContact CG1-CD1 4.16Å; I703-L744 HydrophobicContact CG1-CD2 3.91Å; S741-L744 WeakPolarHBondContact O-CB 3.41Å; S741-L744 PolarHBondContact O-N 3.42Å; C742-L744 PolarHBondContact O-N 2.82Å; C742-L744 VanDerWaalsContact O-N 3.14Å; L744-K752 PolarHBondContact O-NZ 2.65Å |
| 745 | K | 74.4 | Confident | 76.9 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -54.9 | 165.8 | 179.3 | -71.8 | -179 | 174.6 | -177.8 | 0 | 112.9 | V505 C742 V747 K752 | V505-K745 HydrophobicContact CB-CD 4.43Å; V505-K745 HydrophobicContact CG1-CB 3.64Å; V505-K745 HydrophobicContact CG1-CD 3.46Å; V505-K745 VanDerWaalsContact CG1-CD 3.46Å; V505-K745 HydrophobicContact CG1-CG 4.21Å; C742-K745 WeakPolarHBondContact O-CB 3.28Å; C742-K745 PolarHBondContact O-N 2.99Å; K745-V747 VanDerWaalsContact C-N 3.26Å; K745-V747 PolarHBondContact O-N 2.93Å; K745-K752 WeakPolarHBondContact O-CE 3.47Å; K745-K752 PolarHBondContact O-NZ 3.42Å; K745-K752 VanDerWaalsContact O-NZ 3.07Å |
| 746 | Q | 62.6 | Low | 76.5 | Confident | 153 Ų | 153 | 48.6 Ų | 48.6 | 72% | 0.715 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -62.1 | -32.8 | -174.7 | -109.3 | -178.9 | -10.2 | 0 | 0 | 113.3 | ||
| 747 | V | 60.3 | Low | 76.1 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 26% | 0.261 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -104.2 | 83.4 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | L486 V505 K745 | L486-V747 HydrophobicContact CD1-CG1 3.47Å; L486-V747 VanDerWaalsContact CD1-CG1 3.47Å; V505-V747 HydrophobicContact CG1-CB 4.29Å; V505-V747 WeakPolarHBondContact CG1-O 3.5Å; V505-V747 WeakPolarHBondContact CG2-O 3.48Å; K745-V747 VanDerWaalsContact C-N 3.26Å; K745-V747 PolarHBondContact O-N 2.93Å |
| 748 | S | 60.8 | Low | 75.7 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | trans | -119 | 156.7 | -176.1 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | L743 I750 | L743-S748 VanDerWaalsContact O-CB 3.31Å; L743-S748 WeakPolarHBondContact O-CB 3.13Å; L743-S748 PolarHBondContact O-OG 3.42Å; S748-I750 VanDerWaalsContact C-N 3.3Å; S748-I750 PolarHBondContact OG-N 2.84Å | ||
| 749 | S | 59.3 | Low | 75.4 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 32% | 0.315 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -76 | -14.5 | 170.9 | 46.3 | 0 | 0 | 0 | 0 | 113.5 | L486 | L486-S749 VanDerWaalsContact CD2-CB 3.48Š|
| 750 | I | 68.4 | Low | 74.9 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -86.3 | 130.1 | -178.1 | -48 | -174.6 | 0 | 0 | 0 | 110.4 | Y612 L617 I697 L743 S748 K752 Y756 | Y612-I750 HydrophobicContact CD2-CD1 3.44Å; Y612-I750 VanDerWaalsContact CD2-CD1 3.44Å; Y612-I750 HydrophobicContact CD2-CG1 3.79Å; Y612-I750 HydrophobicContact CE2-CD1 3.89Å; Y612-I750 HydrophobicContact CE2-CG1 3.73Å; Y612-I750 HydrophobicContact CG-CD1 4.01Å; L617-I750 HydrophobicContact CD2-CD1 3.42Å; L617-I750 VanDerWaalsContact CD2-CD1 3.42Å; I697-I750 HydrophobicContact CD1-CB 4.19Å; I697-I750 HydrophobicContact CD1-CD1 3.9Å; I697-I750 HydrophobicContact CD1-CG2 3.75Å; L743-I750 HydrophobicContact CB-CD1 3.81Å; L743-I750 HydrophobicContact CD1-CD1 4.12Å; L743-I750 HydrophobicContact CD2-CD1 3.68Å; L743-I750 HydrophobicContact CD2-CG1 3.84Å; L743-I750 HydrophobicContact CG-CD1 4.08Å; S748-I750 VanDerWaalsContact C-N 3.3Å; S748-I750 PolarHBondContact OG-N 2.84Å; I750-K752 PolarHBondContact O-N 2.84Å; I750-Y756 HydrophobicContact CG2-CE2 3.96Å; I750-Y756 VanDerWaalsContact CG2-OH 3.25Å; I750-Y756 WeakPolarHBondContact CG2-OH 3.16Å |
| 751 | P | 70.4 | Confident | 74 | Confident | 38 Ų | 38 | 40.6 Ų | 40.6 | 25% | 0.247 | 20% | 0.2 | C | C | . | . | trans | -48.6 | 111 | 170.9 | -29.9 | 35.3 | 0 | 0 | 0 | 113.1 | E754 | P751-E754 HydrophobicContact CB-CB 3.95Å; P751-E754 HydrophobicContact CB-CG 3.66Å | ||
| 752 | K | 76.1 | Confident | 72.7 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 143.5 | 176.6 | -66.9 | -158.5 | 172 | -134.2 | 0 | 110.9 | I697 D698 D699 L744 K745 I750 E754 | I697-K752 WeakPolarHBondContact O-CA 3.31Å; D698-K752 PolarHBondContact O-NZ 3.16Å; D699-K752 PolarHBondContact O-NZ 2.91Å; L744-K752 PolarHBondContact O-NZ 2.65Å; K745-K752 WeakPolarHBondContact O-CE 3.47Å; K745-K752 PolarHBondContact O-NZ 3.42Å; K745-K752 VanDerWaalsContact O-NZ 3.07Å; I750-K752 PolarHBondContact O-N 2.84Å; K752-E754 PolarHBondContact O-N 2.93Å |
| 753 | N | 79.8 | Confident | 71.2 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 4.4 | -171.8 | -72.2 | -68.9 | 0 | 0 | 0 | 117 | K696 I697 D699 | K696-N753 PolarHBondContact NZ-OD1 3.27Å; I697-N753 PolarHBondContact O-N 2.85Å; D699-N753 PolarHBondContact OD1-ND2 3.27Å; D699-N753 PolarHBondContact OD2-ND2 3.31Å |
| 754 | E | 82.4 | Confident | 70 | Confident | 102 Ų | 102 | 55.6 Ų | 55.6 | 48% | 0.477 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 151.9 | 175 | -56.2 | -150.7 | 161.2 | 0 | 0 | 112.5 | K696 P751 K752 | K696-E754 VanDerWaalsContact CA-O 3.3Å; K696-E754 WeakPolarHBondContact CA-O 3.39Å; K696-E754 WeakPolarHBondContact CB-O 3.27Å; P751-E754 HydrophobicContact CB-CB 3.95Å; P751-E754 HydrophobicContact CB-CG 3.66Å; K752-E754 PolarHBondContact O-N 2.93Å |
| 755 | W | 84 | Confident | 69.4 | Low | 88 Ų | 88 | 59.5 Ų | 59.5 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.9 | -171.5 | -70.2 | 112.2 | 0 | 0 | 0 | 111.9 | N694 Y695 K696 P706 Y757 | N694-W755 HydrophobicContact CB-CE3 4.41Å; Y695-W755 VanDerWaalsContact C-CE3 3.49Å; K696-W755 HydrophobicContact CB-CD2 4.14Å; K696-W755 HydrophobicContact CB-CE3 3.72Å; K696-W755 HydrophobicContact CB-CH2 4.44Å; K696-W755 HydrophobicContact CB-CZ3 3.86Å; K696-W755 HydrophobicContact CD-CD2 4.33Å; K696-W755 HydrophobicContact CD-CE3 4.3Å; K696-W755 HydrophobicContact CD-CH2 3.67Å; K696-W755 HydrophobicContact CD-CZ2 3.73Å; K696-W755 HydrophobicContact CD-CZ3 3.96Å; K696-W755 HydrophobicContact CG-CD2 4.48Å; K696-W755 HydrophobicContact CG-CE3 4Å; K696-W755 HydrophobicContact CG-CH2 3.8Å; K696-W755 HydrophobicContact CG-CZ2 4.32Å; K696-W755 HydrophobicContact CG-CZ3 3.62Å; P706-W755 HydrophobicContact CB-CH2 3.87Å; P706-W755 HydrophobicContact CB-CZ3 4.38Å; P706-W755 HydrophobicContact CG-CH2 3.96Å; P706-W755 HydrophobicContact CG-CZ3 4.01Å; W755-Y757 HydrophobicContact CB-CD2 4.35Å; W755-Y757 HydrophobicContact CB-CE2 3.46Å; W755-Y757 VanDerWaalsContact CB-CE2 3.46Å; W755-Y757 WeakPolarHBondContact O-CD2 3.02Å; W755-Y757 WeakPolarHBondContact O-CE2 3.41Å |
| 756 | Y | 84.1 | Confident | 69.3 | Low | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 144.8 | 166.8 | -60.1 | -65.1 | 0 | 0 | 0 | 110.1 | V611 N694 Y695 I750 | V611-Y756 HydrophobicContact CG1-CD1 3.58Å; V611-Y756 HydrophobicContact CG1-CE1 3.97Å; V611-Y756 HydrophobicContact CG1-CG 4.38Å; N694-Y756 CarbonylContact C-O 3.5Å; N694-Y756 WeakPolarHBondContact CA-O 3.5Å; N694-Y756 WeakPolarHBondContact CB-O 3.28Å; Y695-Y756 HydrophobicContact CD2-CD2 4.1Å; Y695-Y756 AromaticContact CE2-CD2 3.62Å; Y695-Y756 HydrophobicContact CE2-CD2 3.62Å; Y695-Y756 AromaticContact CE2-CG 4Å; Y695-Y756 HydrophobicContact CE2-CG 4Å; Y695-Y756 PolarHBondContact N-O 2.82Å; Y695-Y756 PolarHBondContact O-N 2.93Å; I750-Y756 HydrophobicContact CG2-CE2 3.96Å; I750-Y756 VanDerWaalsContact CG2-OH 3.25Å; I750-Y756 WeakPolarHBondContact CG2-OH 3.16Å |
| 757 | Y | 84.4 | Confident | 70.1 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.9 | -169.9 | -65.5 | -104.4 | 0 | 0 | 0 | 110.6 | N694 W755 L788 T790 E791 P792 | N694-Y757 HydrophobicContact CB-CD1 3.83Å; N694-Y757 HydrophobicContact CB-CE1 4.07Å; N694-Y757 HydrophobicContact CB-CG 4.26Å; W755-Y757 HydrophobicContact CB-CD2 4.35Å; W755-Y757 HydrophobicContact CB-CE2 3.46Å; W755-Y757 VanDerWaalsContact CB-CE2 3.46Å; W755-Y757 WeakPolarHBondContact O-CD2 3.02Å; W755-Y757 WeakPolarHBondContact O-CE2 3.41Å; Y757-L788 PolarHBondContact N-O 3.2Å; Y757-L788 PolarHBondContact O-N 3.01Å; Y757-T790 VanDerWaalsContact CD2-C 3.45Å; Y757-T790 WeakPolarHBondContact CD2-O 3.42Å; Y757-E791 HydrophobicContact CD1-CG 4.38Å; Y757-E791 HydrophobicContact CD2-CB 4.5Å; Y757-E791 HydrophobicContact CE1-CB 3.83Å; Y757-E791 HydrophobicContact CE1-CG 3.71Å; Y757-E791 VanDerWaalsContact CE2-CA 3.43Å; Y757-E791 HydrophobicContact CE2-CB 3.85Å; Y757-E791 VanDerWaalsContact CE2-N 3.26Å; Y757-E791 VanDerWaalsContact CZ-CB 3.48Å; Y757-P792 HydrophobicContact CG-CG 4.47Å |
| 758 | I | 81.1 | Confident | 70.8 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 114.8 | 178.5 | -59 | 175.6 | 0 | 0 | 0 | 107.8 | S596 L614 Y692 A693 Y695 F705 L760 L787 | S596-I758 WeakPolarHBondContact OG-CG2 2.97Å; L614-I758 HydrophobicContact CD1-CD1 3.91Å; L614-I758 HydrophobicContact CG-CD1 4.49Å; Y692-I758 PolarHBondContact N-O 2.94Å; A693-I758 HydrophobicContact CB-CB 4.25Å; A693-I758 HydrophobicContact CB-CD1 4.36Å; A693-I758 PolarHBondContact N-O 3.22Å; A693-I758 PolarHBondContact O-N 2.99Å; Y695-I758 HydrophobicContact CD1-CD1 3.87Å; Y695-I758 HydrophobicContact CD1-CG1 4.12Å; Y695-I758 HydrophobicContact CE1-CD1 3.84Å; Y695-I758 HydrophobicContact CE1-CG1 3.9Å; F705-I758 HydrophobicContact CE1-CD1 4.37Å; I758-L760 HydrophobicContact CG2-CD2 4.33Å; I758-L787 HydrophobicContact CG1-CD1 4.16Å |
| 759 | R | 76.3 | Confident | 71.6 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.4 | 174.9 | -174.3 | 174.2 | -165.7 | 175.2 | 6.3 | 109.3 | Y691 L786 L788 P794 D796 | Y691-R759 HydrophobicContact CD1-CB 4.21Å; Y691-R759 HydrophobicContact CD1-CG 4.12Å; Y691-R759 HydrophobicContact CE1-CG 4.49Å; R759-L786 PolarHBondContact N-O 2.88Å; R759-L786 PolarHBondContact O-N 3.15Å; R759-L788 HydrophobicContact CB-CD1 3.79Å; R759-P794 VanDerWaalsContact CZ-O 3.28Å; R759-P794 PolarHBondContact NH1-O 3.36Å; R759-P794 PolarHBondContact NH2-O 3.11Å; R759-D796 PolarHBondContact NH1-O 2.04Å |
| 760 | L | 68.1 | Low | 72.1 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.3 | 163.5 | -52.3 | -178.6 | 0 | 0 | 0 | 107.2 | H592 S596 Y692 I758 D783 P785 | H592-L760 HydrophobicContact CB-CD1 4.02Å; S596-L760 WeakPolarHBondContact OG-CD2 3.05Å; Y692-L760 VanDerWaalsContact CB-CD1 3.46Å; Y692-L760 HydrophobicContact CD1-CD1 4.25Å; Y692-L760 HydrophobicContact CD2-CD1 3.67Å; Y692-L760 HydrophobicContact CG-CD1 3.5Å; Y692-L760 VanDerWaalsContact CG-CD1 3.5Å; Y692-L760 HydrophobicContact CG-CG 4.24Å; I758-L760 HydrophobicContact CG2-CD2 4.33Å; L760-D783 HydrophobicContact CD2-CB 4.22Å; L760-P785 HydrophobicContact CD2-CB 3.72Å |
| 761 | K | 57.8 | Low | 72.2 | Confident | 90 Ų | 90 | 59.1 Ų | 59.1 | 39% | 0.391 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 158 | 171.8 | -118.7 | 166.2 | 172.5 | 177.7 | 0 | 110.5 | R763 G764 E784 | K761-R763 PolarHBondContact O-N 3.15Å; K761-G764 PolarHBondContact O-N 2.93Å; K761-E784 HydrophobicContact CB-CB 4.29Å; K761-E784 HydrophobicContact CD-CB 4.23Å; K761-E784 HydrophobicContact CD-CG 4.12Å; K761-E784 WeakPolarHBondContact CD-OE2 3.36Å; K761-E784 PolarHBondContact N-O 3.19Å; K761-E784 VanDerWaalsContact N-O 3.1Å; K761-E784 IonicContact NZ-OE1 2.76Å; K761-E784 PolarHBondContact NZ-OE1 2.89Å; K761-E784 IonicContact NZ-OE2 3.64Å; K761-E784 PolarHBondContact NZ-OE2 3.49Å |
| 762 | D | 53.2 | Low | 71.7 | Confident | 98 Ų | 98 | 58.4 Ų | 58.4 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 13 | -174.9 | -39 | -72 | 0 | 0 | 0 | 115.2 | Y814 | D762-Y814 WeakPolarHBondContact OD2-CE1 3.33Å; D762-Y814 PolarHBondContact OD2-OH 2.88Å |
| 763 | R | 46.6 | Very low | 70.4 | Confident | 219 Ų | 219 | 62.6 Ų | 62.6 | 83% | 0.826 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 5.3 | 175 | -60 | -176.4 | -176.5 | 173.1 | 3.2 | 112.9 | K761 Y765 | K761-R763 PolarHBondContact O-N 3.15Å; R763-Y765 WeakPolarHBondContact O-CD1 3.19Å |
| 764 | G | 58.1 | Low | 69.7 | Low | 21 Ų | 21 | 64.5 Ų | 64.5 | 22% | 0.216 | 34% | 0.337 | C | S | . | . | trans | -64.8 | 128.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | K761 V782 D783 | K761-G764 PolarHBondContact O-N 2.93Å; G764-V782 VanDerWaalsContact CA-O 3.31Å; G764-V782 WeakPolarHBondContact CA-O 3.01Å; G764-D783 VanDerWaalsContact CA-OD1 3.23Å; G764-D783 WeakPolarHBondContact CA-OD1 2.99Å | ||
| 765 | Y | 69.3 | Low | 68.9 | Low | 88 Ų | 88 | 61.2 Ų | 61.2 | 35% | 0.345 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 152.6 | 177.7 | 76.1 | -83.3 | 0 | 0 | 0 | 113.7 | Y681 R763 F780 C781 V782 | Y681-Y765 WeakPolarHBondContact OH-CB 3.35Å; R763-Y765 WeakPolarHBondContact O-CD1 3.19Å; Y765-F780 AromaticContact CE2-CE2 3.94Å; Y765-F780 HydrophobicContact CE2-CE2 3.94Å; Y765-C781 CarbonylContact O-C 3.51Å; Y765-C781 VanDerWaalsContact O-CA 3.25Å; Y765-C781 WeakPolarHBondContact O-CA 3.31Å; Y765-V782 HydrophobicContact CE1-CB 4.23Å; Y765-V782 PolarHBondContact N-O 3.25Å; Y765-V782 PolarHBondContact O-N 2.75Å |
| 766 | C | 73.1 | Confident | 68.5 | Low | 23 Ų | 23 | 57.4 Ų | 57.4 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 146.5 | 162.3 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | T588 H592 F780 C781 | T588-C766 VanDerWaalsContact CB-SG 3.57Å; T588-C766 HydrophobicContact CG2-CB 3.73Å; T588-C766 VanDerWaalsContact CG2-SG 3.51Å; H592-C766 PolarHBondContact NE2-SG 3.01Å; C766-F780 CarbonylContact C-O 3.59Å; C766-F780 VanDerWaalsContact CA-O 3.27Å; C766-F780 WeakPolarHBondContact CA-O 3.43Å; C766-C781 HydrophobicContact CB-CB 4.11Å; C766-C781 WeakPolarHBondContact CB-SG 3.38Å; C766-C781 WeakPolarHBondContact SG-CB 3.16Å; C766-C781 CovalentContact SG-SG 2.04Å; C766-C781 PolarHBondContact SG-SG 2.78Å |
| 767 | S | 78.3 | Confident | 68.1 | Low | 55 Ų | 55 | 57 Ų | 57 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 173.2 | 175.9 | -161.2 | 0 | 0 | 0 | 0 | 109.9 | F780 | S767-F780 PolarHBondContact N-O 2.86Å; S767-F780 WeakPolarHBondContact O-CD1 3.08Å; S767-F780 PolarHBondContact O-N 2.91Å; S767-F780 VanDerWaalsContact O-O 3.06Å |
| 768 | E | 74.8 | Confident | 68.1 | Low | 43 Ų | 43 | 58.2 Ų | 58.2 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.7 | 178.8 | 62.6 | 173.6 | -133.6 | 0 | 0 | 113.4 | R585 C770 N778 L779 | R585-E768 IonicContact CZ-OE1 3.7Å; R585-E768 IonicContact CZ-OE2 3.61Å; R585-E768 IonicContact NE-OE2 3.19Å; R585-E768 PolarHBondContact NE-OE2 3.09Å; R585-E768 IonicContact NH1-OE1 3.75Å; R585-E768 PolarHBondContact NH1-OE1 2.7Å; R585-E768 IonicContact NH1-OE2 3.65Å; R585-E768 PolarHBondContact NH1-OE2 2.76Å; R585-E768 IonicContact NH2-OE1 2.69Å; R585-E768 PolarHBondContact NH2-OE1 3.25Å; R585-E768 IonicContact NH2-OE2 2.77Å; R585-E768 PolarHBondContact NH2-OE2 2.55Å; E768-C770 PolarHBondContact OE1-SG 3.1Å; E768-N778 VanDerWaalsContact CA-O 3.29Å; E768-N778 WeakPolarHBondContact CA-O 3.15Å; E768-L779 HydrophobicContact CB-CD1 4.46Å |
| 769 | D | 78.7 | Confident | 68.4 | Low | 66 Ų | 66 | 58.6 Ų | 58.6 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 104.9 | 171.4 | 175.3 | 28.2 | 0 | 0 | 0 | 110.1 | S771 C777 N778 F780 | D769-S771 WeakPolarHBondContact OD1-CB 3.38Å; D769-S771 PolarHBondContact OD1-N 2.97Å; D769-S771 PolarHBondContact OD1-OG 2.91Å; D769-C777 CarbonylContact O-C 3.56Å; D769-C777 VanDerWaalsContact O-CA 3.29Å; D769-C777 WeakPolarHBondContact O-CA 3.29Å; D769-N778 PolarHBondContact N-O 3.22Å; D769-N778 PolarHBondContact O-N 2.8Å; D769-F780 HydrophobicContact CB-CE1 4.37Å |
| 770 | C | 69.5 | Low | 68.9 | Low | 50 Ų | 50 | 60.8 Ų | 60.8 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | trans | -94.9 | 24.1 | 174.2 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | E768 A772 S776 C777 | E768-C770 PolarHBondContact OE1-SG 3.1Å; C770-A772 PolarHBondContact O-N 3.5Å; C770-S776 WeakPolarHBondContact CA-O 3.11Å; C770-C777 HydrophobicContact CB-CB 4.05Å; C770-C777 WeakPolarHBondContact CB-SG 3.39Å; C770-C777 WeakPolarHBondContact SG-CB 3.01Å; C770-C777 CovalentContact SG-SG 2.04Å; C770-C777 PolarHBondContact SG-SG 2.77Å | ||
| 771 | S | 70.2 | Confident | 69.7 | Low | 100 Ų | 100 | 60 Ų | 60 | 70% | 0.699 | 33% | 0.331 | S | S | * | . | trans | -76.9 | 4.7 | -179.1 | -54.1 | 0 | 0 | 0 | 0 | 114.6 | D769 | D769-S771 WeakPolarHBondContact OD1-CB 3.38Å; D769-S771 PolarHBondContact OD1-N 2.97Å; D769-S771 PolarHBondContact OD1-OG 2.91Å | ||
| 772 | A | 60.8 | Low | 70.9 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | trans | -70.8 | 142.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C770 D774 G775 S776 | C770-A772 PolarHBondContact O-N 3.5Å; A772-D774 WeakPolarHBondContact CB-OD1 3.14Å; A772-D774 PolarHBondContact O-N 2.83Å; A772-D774 VanDerWaalsContact O-N 3.11Å; A772-G775 PolarHBondContact O-N 2.88Å; A772-S776 VanDerWaalsContact CB-O 3.25Å; A772-S776 WeakPolarHBondContact CB-O 3.07Å; A772-S776 VanDerWaalsContact CB-OG 3.25Å; A772-S776 WeakPolarHBondContact CB-OG 3.46Å | ||
| 773 | P | 47.3 | Very low | 72.2 | Confident | 135 Ų | 135 | 52 Ų | 52 | 88% | 0.877 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.1 | -173.2 | -23.5 | 34.6 | 0 | 0 | 0 | 115.6 | ||
| 774 | D | 66.5 | Low | 73.7 | Confident | 97 Ų | 97 | 44.1 Ų | 44.1 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 1.5 | 177.3 | 73.2 | -40.7 | 0 | 0 | 0 | 113.2 | Q575 A772 S776 | Q575-D774 PolarHBondContact NE2-O 3.22Å; Q575-D774 PolarHBondContact NE2-OD2 2.98Å; A772-D774 WeakPolarHBondContact CB-OD1 3.14Å; A772-D774 PolarHBondContact O-N 2.83Å; A772-D774 VanDerWaalsContact O-N 3.11Å; D774-S776 VanDerWaalsContact C-N 3.31Å; D774-S776 VanDerWaalsContact OD1-CB 3.27Å; D774-S776 WeakPolarHBondContact OD1-CB 3.49Å; D774-S776 PolarHBondContact OD1-N 2.75Å; D774-S776 VanDerWaalsContact OD1-N 3.1Å; D774-S776 PolarHBondContact OD1-OG 3.02Å; D774-S776 WeakPolarHBondContact OD2-CB 3.25Å; D774-S776 PolarHBondContact OD2-OG 3.17Å |
| 775 | G | 64.5 | Low | 74.7 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 78.9 | 10.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A772 | A772-G775 PolarHBondContact O-N 2.88Š|
| 776 | S | 75.2 | Confident | 75.2 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 158.3 | 172.2 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | G574 C770 A772 D774 | G574-S776 CarbonylContact O-C 3.49Å; C770-S776 WeakPolarHBondContact CA-O 3.11Å; A772-S776 VanDerWaalsContact CB-O 3.25Å; A772-S776 WeakPolarHBondContact CB-O 3.07Å; A772-S776 VanDerWaalsContact CB-OG 3.25Å; A772-S776 WeakPolarHBondContact CB-OG 3.46Å; D774-S776 VanDerWaalsContact C-N 3.31Å; D774-S776 VanDerWaalsContact OD1-CB 3.27Å; D774-S776 WeakPolarHBondContact OD1-CB 3.49Å; D774-S776 PolarHBondContact OD1-N 2.75Å; D774-S776 VanDerWaalsContact OD1-N 3.1Å; D774-S776 PolarHBondContact OD1-OG 3.02Å; D774-S776 WeakPolarHBondContact OD2-CB 3.25Å; D774-S776 PolarHBondContact OD2-OG 3.17Å |
| 777 | C | 76.2 | Confident | 75.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 149.5 | 179.5 | -53.7 | 0 | 0 | 0 | 0 | 111 | G573 G574 T576 Y581 D769 C770 | G573-C777 PolarHBondContact N-O 3.2Å; G574-C777 PolarHBondContact N-O 3.32Å; G574-C777 WeakPolarHBondContact O-CB 3.43Å; G574-C777 PolarHBondContact O-N 3.1Å; T576-C777 WeakPolarHBondContact CG2-SG 3.11Å; Y581-C777 HydrophobicContact CE1-CB 3.93Å; D769-C777 CarbonylContact O-C 3.56Å; D769-C777 VanDerWaalsContact O-CA 3.29Å; D769-C777 WeakPolarHBondContact O-CA 3.29Å; C770-C777 HydrophobicContact CB-CB 4.05Å; C770-C777 WeakPolarHBondContact CB-SG 3.39Å; C770-C777 WeakPolarHBondContact SG-CB 3.01Å; C770-C777 CovalentContact SG-SG 2.04Å; C770-C777 PolarHBondContact SG-SG 2.77Å |
| 778 | N | 84.7 | Confident | 75.7 | Confident | 47 Ų | 47 | 36.7 Ų | 36.7 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 107.1 | 167.7 | -52.4 | -67.4 | 0 | 0 | 0 | 107.7 | I571 R572 G573 E768 D769 | I571-N778 CarbonylContact O-C 3.24Å; I571-N778 WeakPolarHBondContact O-CA 3.49Å; R572-N778 VanDerWaalsContact CA-OD1 3.27Å; R572-N778 WeakPolarHBondContact CA-OD1 3.36Å; R572-N778 WeakPolarHBondContact CB-OD1 3.14Å; G573-N778 PolarHBondContact N-OD1 3.12Å; E768-N778 VanDerWaalsContact CA-O 3.29Å; E768-N778 WeakPolarHBondContact CA-O 3.15Å; D769-N778 PolarHBondContact N-O 3.22Å; D769-N778 PolarHBondContact O-N 2.8Å |
| 779 | L | 87 | Confident | 75.5 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 127.8 | 169.6 | 174.1 | 67.3 | 0 | 0 | 0 | 107.6 | G570 I571 Y581 T588 F591 E768 | G570-L779 CarbonylContact C-O 3.59Å; G570-L779 WeakPolarHBondContact CA-O 3.11Å; I571-L779 HydrophobicContact CB-CB 4.35Å; I571-L779 HydrophobicContact CD1-CD2 4.04Å; I571-L779 HydrophobicContact CG1-CD2 4.36Å; I571-L779 PolarHBondContact N-O 3.32Å; I571-L779 PolarHBondContact O-N 3.19Å; Y581-L779 WeakPolarHBondContact OH-CB 3.28Å; T588-L779 HydrophobicContact CG2-CD1 4.42Å; T588-L779 HydrophobicContact CG2-CD2 4.44Å; F591-L779 HydrophobicContact CE2-CD2 4.18Å; E768-L779 HydrophobicContact CB-CD1 4.46Å |
| 780 | F | 86.9 | Confident | 75.2 | Confident | 54 Ų | 54 | 36.4 Ų | 36.4 | 24% | 0.237 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.5 | 179.6 | 63.3 | -87.3 | 0 | 0 | 0 | 111.7 | Y556 S569 Y765 C766 S767 D769 V782 | Y556-F780 WeakPolarHBondContact OH-CB 3.36Å; S569-F780 CarbonylContact O-C 3.51Å; S569-F780 WeakPolarHBondContact O-CA 3.09Å; Y765-F780 AromaticContact CE2-CE2 3.94Å; Y765-F780 HydrophobicContact CE2-CE2 3.94Å; C766-F780 CarbonylContact C-O 3.59Å; C766-F780 VanDerWaalsContact CA-O 3.27Å; C766-F780 WeakPolarHBondContact CA-O 3.43Å; S767-F780 PolarHBondContact N-O 2.86Å; S767-F780 WeakPolarHBondContact O-CD1 3.08Å; S767-F780 PolarHBondContact O-N 2.91Å; S767-F780 VanDerWaalsContact O-O 3.06Å; D769-F780 HydrophobicContact CB-CE1 4.37Å; F780-V782 HydrophobicContact CD2-CG2 4.18Å |
| 781 | C | 85.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.1 | 174.7 | -57.1 | 0 | 0 | 0 | 0 | 109.5 | S568 S569 F591 Y765 C766 | S568-C781 CarbonylContact C-O 3.55Å; S568-C781 WeakPolarHBondContact CA-O 3.15Å; S568-C781 WeakPolarHBondContact CB-O 3.05Å; S568-C781 PolarHBondContact OG-O 3.26Å; S569-C781 PolarHBondContact N-O 3.12Å; S569-C781 PolarHBondContact O-N 2.83Å; F591-C781 HydrophobicContact CB-CB 3.92Å; Y765-C781 CarbonylContact O-C 3.51Å; Y765-C781 VanDerWaalsContact O-CA 3.25Å; Y765-C781 WeakPolarHBondContact O-CA 3.31Å; C766-C781 HydrophobicContact CB-CB 4.11Å; C766-C781 WeakPolarHBondContact CB-SG 3.38Å; C766-C781 WeakPolarHBondContact SG-CB 3.16Å; C766-C781 CovalentContact SG-SG 2.04Å; C766-C781 PolarHBondContact SG-SG 2.78Å |
| 782 | V | 82.4 | Confident | 75 | Confident | 15 Ų | 15 | 34 Ų | 34 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 129.5 | -177.7 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | R566 S567 G764 Y765 F780 | R566-V782 HydrophobicContact CG-CG1 4.32Å; S567-V782 CarbonylContact O-C 3.56Å; S567-V782 WeakPolarHBondContact O-CA 3.02Å; G764-V782 VanDerWaalsContact CA-O 3.31Å; G764-V782 WeakPolarHBondContact CA-O 3.01Å; Y765-V782 HydrophobicContact CE1-CB 4.23Å; Y765-V782 PolarHBondContact N-O 3.25Å; Y765-V782 PolarHBondContact O-N 2.75Å; F780-V782 HydrophobicContact CD2-CG2 4.18Å |
| 783 | D | 81.6 | Confident | 75.5 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 164.3 | -173.4 | -66.6 | -54.3 | 0 | 0 | 0 | 114.2 | S567 H592 N595 L760 G764 | S567-D783 PolarHBondContact N-O 2.98Å; S567-D783 PolarHBondContact O-N 2.66Å; H592-D783 IonicContact CE1-OD1 3.9Å; H592-D783 PolarHBondContact CE1-OD1 3.14Å; H592-D783 IonicContact CE1-OD2 3.04Å; H592-D783 IonicContact CG-OD2 2.79Å; H592-D783 VanDerWaalsContact ND1-CG 3.28Å; H592-D783 IonicContact ND1-OD1 2.63Å; H592-D783 PolarHBondContact ND1-OD1 2.87Å; H592-D783 IonicContact ND1-OD2 2.81Å; H592-D783 PolarHBondContact ND1-OD2 2.96Å; N595-D783 HydrophobicContact CB-CB 4.08Å; N595-D783 WeakPolarHBondContact CB-OD2 3.28Å; N595-D783 PolarHBondContact ND2-OD2 2.93Å; L760-D783 HydrophobicContact CD2-CB 4.22Å; G764-D783 VanDerWaalsContact CA-OD1 3.23Å; G764-D783 WeakPolarHBondContact CA-OD1 2.99Å |
| 784 | E | 78.1 | Confident | 76.4 | Confident | 53 Ų | 53 | 28.8 Ų | 28.8 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | trans | -130.2 | 100.5 | 162.3 | -173 | -173.2 | 157.9 | 0 | 0 | 108.5 | R565 K761 | R565-E784 HydrophobicContact CB-CG 4.11Å; R565-E784 WeakPolarHBondContact O-CG 3.45Å; K761-E784 HydrophobicContact CB-CB 4.29Å; K761-E784 HydrophobicContact CD-CB 4.23Å; K761-E784 HydrophobicContact CD-CG 4.12Å; K761-E784 WeakPolarHBondContact CD-OE2 3.36Å; K761-E784 PolarHBondContact N-O 3.19Å; K761-E784 VanDerWaalsContact N-O 3.1Å; K761-E784 IonicContact NZ-OE1 2.76Å; K761-E784 PolarHBondContact NZ-OE1 2.89Å; K761-E784 IonicContact NZ-OE2 3.64Å; K761-E784 PolarHBondContact NZ-OE2 3.49Å | ||
| 785 | P | 78.1 | Confident | 76.7 | Confident | 11 Ų | 11 | 25.2 Ų | 25.2 | 7% | 0.071 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.8 | -169.7 | 36.6 | -35.7 | 0 | 0 | 0 | 114.1 | L760 | L760-P785 HydrophobicContact CD2-CB 3.72Å |
| 786 | L | 80.4 | Confident | 77 | Confident | 19 Ų | 19 | 25.8 Ų | 25.8 | 10% | 0.099 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.9 | 178.2 | -62.5 | 172.9 | 0 | 0 | 0 | 111 | R759 C797 | R759-L786 PolarHBondContact N-O 2.88Å; R759-L786 PolarHBondContact O-N 3.15Å; L786-C797 HydrophobicContact CD1-CB 3.8Å |
| 787 | L | 82.3 | Confident | 76.5 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.9 | -174.6 | -174.7 | 65.6 | 0 | 0 | 0 | 112 | S600 C602 V611 N613 Y695 I758 | S600-L787 PolarHBondContact O-N 3.3Å; C602-L787 PolarHBondContact N-O 2.94Å; V611-L787 HydrophobicContact CB-CD2 4.19Å; V611-L787 HydrophobicContact CB-CG 4.45Å; V611-L787 HydrophobicContact CG1-CD1 4.37Å; V611-L787 HydrophobicContact CG1-CD2 3.71Å; V611-L787 HydrophobicContact CG1-CG 3.72Å; N613-L787 HydrophobicContact CB-CD2 3.83Å; Y695-L787 HydrophobicContact CE1-CD1 3.92Å; Y695-L787 WeakPolarHBondContact OH-CD1 3.31Å; I758-L787 HydrophobicContact CG1-CD1 4.16Å |
| 788 | L | 79.4 | Confident | 76.1 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.6 | -176.1 | -53.7 | 98.9 | 0 | 0 | 0 | 112.3 | C602 I605 Y757 R759 P792 D796 C797 | C602-L788 HydrophobicContact CB-CD2 4.26Å; C602-L788 HydrophobicContact CB-CG 4.32Å; I605-L788 HydrophobicContact CD1-CB 4.34Å; I605-L788 HydrophobicContact CD1-CD2 3.72Å; I605-L788 HydrophobicContact CD1-CG 4.43Å; Y757-L788 PolarHBondContact N-O 3.2Å; Y757-L788 PolarHBondContact O-N 3.01Å; R759-L788 HydrophobicContact CB-CD1 3.79Å; L788-P792 HydrophobicContact CB-CG 4.03Å; L788-P792 HydrophobicContact CD1-CG 3.79Å; L788-P792 HydrophobicContact CD2-CB 3.74Å; L788-P792 HydrophobicContact CD2-CG 3.74Å; L788-P792 HydrophobicContact CG-CG 4.04Å; L788-D796 HydrophobicContact CD2-CB 3.7Å; L788-C797 WeakPolarHBondContact CD2-SG 3.49Å |
| 789 | A | 71.1 | Confident | 75.2 | Confident | 29 Ų | 29 | 30.6 Ų | 30.6 | 24% | 0.24 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -71.3 | -29.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V611 | V611-A789 HydrophobicContact CG2-CB 3.61Š|
| 790 | T | 71.8 | Confident | 74.3 | Confident | 74 Ų | 74 | 31.4 Ų | 31.4 | 45% | 0.454 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -124.4 | 162.3 | -172.9 | 50 | 0 | 0 | 0 | 0 | 109.6 | Y757 P792 | Y757-T790 VanDerWaalsContact CD2-C 3.45Å; Y757-T790 WeakPolarHBondContact CD2-O 3.42Å; T790-P792 VanDerWaalsContact O-CD 3.24Å; T790-P792 WeakPolarHBondContact O-CD 3.35Å; T790-P792 VanDerWaalsContact O-N 3.07Å |
| 791 | E | 71.2 | Confident | 73.1 | Confident | 90 Ų | 90 | 36.6 Ų | 36.6 | 42% | 0.421 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -55.9 | 117.3 | 168.3 | -174.3 | 143.5 | -141.6 | 0 | 0 | 108.6 | K689 Y757 S793 | K689-E791 IonicContact NZ-OE1 2.84Å; K689-E791 PolarHBondContact NZ-OE1 2.01Å; Y757-E791 HydrophobicContact CD1-CG 4.38Å; Y757-E791 HydrophobicContact CD2-CB 4.5Å; Y757-E791 HydrophobicContact CE1-CB 3.83Å; Y757-E791 HydrophobicContact CE1-CG 3.71Å; Y757-E791 VanDerWaalsContact CE2-CA 3.43Å; Y757-E791 HydrophobicContact CE2-CB 3.85Å; Y757-E791 VanDerWaalsContact CE2-N 3.26Å; Y757-E791 VanDerWaalsContact CZ-CB 3.48Å; E791-S793 PolarHBondContact O-N 3.27Å |
| 792 | P | 64.5 | Low | 72.2 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 141.9 | -169.4 | -18.9 | 30.4 | 0 | 0 | 0 | 110.4 | Y691 Y757 L788 T790 D796 | Y691-P792 HydrophobicContact CD1-CB 4.45Å; Y691-P792 HydrophobicContact CD1-CG 4.01Å; Y691-P792 HydrophobicContact CD2-CG 4.5Å; Y691-P792 HydrophobicContact CE1-CB 3.68Å; Y691-P792 HydrophobicContact CE1-CG 3.73Å; Y691-P792 HydrophobicContact CE2-CB 4.3Å; Y691-P792 HydrophobicContact CE2-CG 4.19Å; Y691-P792 HydrophobicContact CG-CG 4.44Å; Y691-P792 PolarHBondContact OH-O 3.08Å; Y757-P792 HydrophobicContact CG-CG 4.47Å; L788-P792 HydrophobicContact CB-CG 4.03Å; L788-P792 HydrophobicContact CD1-CG 3.79Å; L788-P792 HydrophobicContact CD2-CB 3.74Å; L788-P792 HydrophobicContact CD2-CG 3.74Å; L788-P792 HydrophobicContact CG-CG 4.04Å; T790-P792 VanDerWaalsContact O-CD 3.24Å; T790-P792 WeakPolarHBondContact O-CD 3.35Å; T790-P792 VanDerWaalsContact O-N 3.07Å; P792-D796 WeakPolarHBondContact CA-OD2 3.27Å; P792-D796 HydrophobicContact CB-CB 4.23Å |
| 793 | S | 70.5 | Confident | 71.2 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -59 | 141.8 | 144.8 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | E791 C795 D796 | E791-S793 PolarHBondContact O-N 3.27Å; S793-C795 PolarHBondContact O-N 2.91Å; S793-C795 PolarHBondContact OG-N 2.76Å; S793-D796 WeakPolarHBondContact CB-OD1 3.19Å; S793-D796 WeakPolarHBondContact CB-OD2 3.42Å; S793-D796 PolarHBondContact N-OD2 2.94Å; S793-D796 WeakPolarHBondContact O-CB 3.33Å; S793-D796 PolarHBondContact O-N 2.91Å |
| 794 | P | 66.5 | Low | 70.6 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -16.9 | 171 | -28.3 | 33.3 | 0 | 0 | 0 | 114.3 | Y691 R759 V798 P809 A812 S813 Y814 | Y691-P794 WeakPolarHBondContact OH-CA 3.45Å; R759-P794 VanDerWaalsContact CZ-O 3.28Å; R759-P794 PolarHBondContact NH1-O 3.36Å; R759-P794 PolarHBondContact NH2-O 3.11Å; P794-V798 VanDerWaalsContact O-CG2 3.3Å; P794-V798 WeakPolarHBondContact O-CG2 3.36Å; P794-P809 HydrophobicContact CB-CB 3.96Å; P794-P809 HydrophobicContact CG-CB 3.69Å; P794-A812 VanDerWaalsContact CG-CA 3.42Å; P794-A812 HydrophobicContact CG-CB 3.85Å; P794-S813 WeakPolarHBondContact CB-O 3.41Å; P794-S813 WeakPolarHBondContact CG-O 3.44Å; P794-Y814 WeakPolarHBondContact O-CB 3.42Å |
| 795 | C | 72.6 | Confident | 70.3 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 14% | 0.142 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -5.3 | 176 | -71.4 | 0 | 0 | 0 | 0 | 115.5 | S793 C797 V798 C807 R808 P809 | S793-C795 PolarHBondContact O-N 2.91Å; S793-C795 PolarHBondContact OG-N 2.76Å; C795-C797 PolarHBondContact O-N 2.9Å; C795-V798 PolarHBondContact O-N 2.85Å; C795-V798 VanDerWaalsContact O-N 3.1Å; C795-C807 WeakPolarHBondContact CA-SG 3.46Å; C795-C807 HydrophobicContact CB-CB 3.52Å; C795-C807 WeakPolarHBondContact CB-SG 3.45Å; C795-C807 VanDerWaalsContact SG-CA 3.57Å; C795-C807 WeakPolarHBondContact SG-CB 3.32Å; C795-C807 PolarHBondContact SG-O 2.92Å; C795-C807 VanDerWaalsContact SG-O 3.39Å; C795-C807 CovalentContact SG-SG 2.03Å; C795-C807 PolarHBondContact SG-SG 2.84Å; C795-R808 PolarHBondContact SG-N 3.15Å; C795-P809 VanDerWaalsContact SG-N 3.45Å |
| 796 | D | 71.8 | Confident | 70.1 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 132.9 | 173.1 | -62.8 | -21.6 | 0 | 0 | 0 | 108.8 | I605 R759 L788 P792 S793 V798 | I605-D796 HydrophobicContact CD1-CB 4.25Å; R759-D796 PolarHBondContact NH1-O 2.04Å; L788-D796 HydrophobicContact CD2-CB 3.7Å; P792-D796 WeakPolarHBondContact CA-OD2 3.27Å; P792-D796 HydrophobicContact CB-CB 4.23Å; S793-D796 WeakPolarHBondContact CB-OD1 3.19Å; S793-D796 WeakPolarHBondContact CB-OD2 3.42Å; S793-D796 PolarHBondContact N-OD2 2.94Å; S793-D796 WeakPolarHBondContact O-CB 3.33Å; S793-D796 PolarHBondContact O-N 2.91Å; D796-V798 PolarHBondContact O-N 2.64Å |
| 797 | C | 65 | Low | 69.6 | Low | 28 Ų | 28 | 52.6 Ų | 52.6 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 6 | -170.9 | -28.8 | 0 | 0 | 0 | 0 | 116.1 | C602 L786 L788 C795 T799 | C602-C797 HydrophobicContact CB-CB 4.35Å; C602-C797 WeakPolarHBondContact CB-SG 3.29Å; C602-C797 WeakPolarHBondContact SG-CA 3.3Å; C602-C797 WeakPolarHBondContact SG-CB 3.3Å; C602-C797 PolarHBondContact SG-N 3.41Å; C602-C797 CovalentContact SG-SG 2.03Å; C602-C797 PolarHBondContact SG-SG 3.11Å; L786-C797 HydrophobicContact CD1-CB 3.8Å; L788-C797 WeakPolarHBondContact CD2-SG 3.49Å; C795-C797 PolarHBondContact O-N 2.9Å; C797-T799 PolarHBondContact O-N 2.9Å |
| 798 | V | 67.1 | Low | 69.2 | Low | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | trans | -87.1 | 109.5 | 173.5 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | P794 C795 D796 C807 Y814 | P794-V798 VanDerWaalsContact O-CG2 3.3Å; P794-V798 WeakPolarHBondContact O-CG2 3.36Å; C795-V798 PolarHBondContact O-N 2.85Å; C795-V798 VanDerWaalsContact O-N 3.1Å; D796-V798 PolarHBondContact O-N 2.64Å; V798-C807 HydrophobicContact CB-CB 4.22Å; V798-C807 HydrophobicContact CG1-CB 4.03Å; V798-Y814 HydrophobicContact CB-CD2 4.33Å; V798-Y814 HydrophobicContact CB-CE2 4.32Å; V798-Y814 HydrophobicContact CG1-CD2 3.6Å; V798-Y814 HydrophobicContact CG1-CE2 3.39Å; V798-Y814 HydrophobicContact CG1-CG 4.47Å; V798-Y814 HydrophobicContact CG2-CD1 4.08Å; V798-Y814 HydrophobicContact CG2-CD2 3.92Å; V798-Y814 HydrophobicContact CG2-CE1 4.08Å; V798-Y814 HydrophobicContact CG2-CE2 3.92Å; V798-Y814 HydrophobicContact CG2-CG 3.99Å | ||
| 799 | T | 64.8 | Low | 68.5 | Low | 104 Ų | 104 | 60.3 Ų | 60.3 | 64% | 0.638 | 33% | 0.334 | S | S | * | . | trans | -88.8 | 121.6 | 159.7 | 50.4 | 0 | 0 | 0 | 0 | 109 | C797 | C797-T799 PolarHBondContact O-N 2.9Š| ||
| 800 | C | 68.7 | Low | 67.6 | Low | 27 Ų | 27 | 63.3 Ų | 63.3 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | trans | -80.7 | 119.7 | 171.2 | -60.9 | 0 | 0 | 0 | 0 | 109.4 | R802 E805 C816 | C800-R802 PolarHBondContact O-N 3.31Å; C800-E805 HydrophobicContact CB-CB 3.71Å; C800-C816 VanDerWaalsContact CA-SG 3.51Å; C800-C816 HydrophobicContact CB-CB 3.71Å; C800-C816 WeakPolarHBondContact CB-SG 3.42Å; C800-C816 VanDerWaalsContact SG-CA 3.59Å; C800-C816 WeakPolarHBondContact SG-CB 3.45Å; C800-C816 CovalentContact SG-SG 2.04Å; C800-C816 PolarHBondContact SG-SG 2.04Å | ||
| 801 | D | 61.8 | Low | 67 | Low | 162 Ų | 162 | 62.6 Ų | 62.6 | 87% | 0.866 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -63.2 | -15.8 | -174.7 | -61.8 | -36.1 | 0 | 0 | 0 | 113.9 | ||
| 802 | R | 66.7 | Low | 66 | Low | 100 Ų | 100 | 58.7 Ų | 58.7 | 38% | 0.377 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -99.8 | 133 | -173.4 | -66.2 | 165.3 | 165.8 | -146.5 | -7.2 | 111.8 | C800 G804 E805 N828 | C800-R802 PolarHBondContact O-N 3.31Å; R802-G804 PolarHBondContact O-N 3.27Å; R802-G804 VanDerWaalsContact O-N 3.17Å; R802-E805 HydrophobicContact CB-CB 4.37Å; R802-E805 HydrophobicContact CB-CG 3.92Å; R802-E805 WeakPolarHBondContact CD-OE1 3.35Å; R802-E805 VanDerWaalsContact CD-OE2 3.24Å; R802-E805 WeakPolarHBondContact CD-OE2 3.44Å; R802-E805 IonicContact NE-OE1 3.3Å; R802-E805 IonicContact NH1-OE1 2.98Å; R802-E805 PolarHBondContact NH1-OE1 2.78Å; R802-E805 PolarHBondContact O-N 3.38Å; R802-E805 VanDerWaalsContact O-N 3.13Å; R802-N828 VanDerWaalsContact CZ-OD1 3.23Å; R802-N828 PolarHBondContact NH1-OD1 2.69Å; R802-N828 VanDerWaalsContact NH2-CG 3.31Å; R802-N828 PolarHBondContact NH2-OD1 3.35Å |
| 803 | H | 61.6 | Low | 65.4 | Low | 182 Ų | 182 | 60.7 Ų | 60.7 | 84% | 0.843 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 116.7 | -174.1 | -166.6 | 75.3 | 0 | 0 | 0 | 112.6 | ||
| 804 | G | 69.1 | Low | 65.3 | Low | 29 Ų | 29 | 61.8 Ų | 61.8 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -0.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R802 G819 | R802-G804 PolarHBondContact O-N 3.27Å; R802-G804 VanDerWaalsContact O-N 3.17Å; G804-G819 PolarHBondContact O-N 3.29Å |
| 805 | E | 71.2 | Confident | 65.2 | Low | 28 Ų | 28 | 65.8 Ų | 65.8 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.3 | 162.5 | -71.4 | -174.8 | 173.7 | 0 | 0 | 109.4 | C800 R802 C816 E817 C830 | C800-E805 HydrophobicContact CB-CB 3.71Å; R802-E805 HydrophobicContact CB-CB 4.37Å; R802-E805 HydrophobicContact CB-CG 3.92Å; R802-E805 WeakPolarHBondContact CD-OE1 3.35Å; R802-E805 VanDerWaalsContact CD-OE2 3.24Å; R802-E805 WeakPolarHBondContact CD-OE2 3.44Å; R802-E805 IonicContact NE-OE1 3.3Å; R802-E805 IonicContact NH1-OE1 2.98Å; R802-E805 PolarHBondContact NH1-OE1 2.78Å; R802-E805 PolarHBondContact O-N 3.38Å; R802-E805 VanDerWaalsContact O-N 3.13Å; E805-C816 HydrophobicContact CB-CB 4.19Å; E805-C816 WeakPolarHBondContact OE2-CB 3.26Å; E805-E817 CarbonylContact C-O 3.54Å; E805-E817 WeakPolarHBondContact CA-O 3.18Å; E805-C830 WeakPolarHBondContact CG-SG 3.43Å; E805-C830 PolarHBondContact N-SG 2.97Å; E805-C830 VanDerWaalsContact N-SG 3.44Å |
| 806 | V | 74.8 | Confident | 65.1 | Low | 80 Ų | 80 | 66.5 Ų | 66.5 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.6 | 171.9 | 178.5 | 0 | 0 | 0 | 0 | 106 | R808 E817 | V806-R808 PolarHBondContact O-N 3.42Å; V806-E817 PolarHBondContact N-O 2.96Å; V806-E817 PolarHBondContact O-N 2.96Å |
| 807 | C | 70.1 | Confident | 64.9 | Low | 21 Ų | 21 | 66.7 Ų | 66.7 | 14% | 0.142 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 130.9 | 176.8 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | C795 V798 Y814 | C795-C807 WeakPolarHBondContact CA-SG 3.46Å; C795-C807 HydrophobicContact CB-CB 3.52Å; C795-C807 WeakPolarHBondContact CB-SG 3.45Å; C795-C807 VanDerWaalsContact SG-CA 3.57Å; C795-C807 WeakPolarHBondContact SG-CB 3.32Å; C795-C807 PolarHBondContact SG-O 2.92Å; C795-C807 VanDerWaalsContact SG-O 3.39Å; C795-C807 CovalentContact SG-SG 2.03Å; C795-C807 PolarHBondContact SG-SG 2.84Å; V798-C807 HydrophobicContact CB-CB 4.22Å; V798-C807 HydrophobicContact CG1-CB 4.03Å; C807-Y814 VanDerWaalsContact SG-CB 3.57Å |
| 808 | R | 73.1 | Confident | 65.3 | Low | 93 Ų | 93 | 65.9 Ų | 65.9 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.8 | 171.7 | -81 | -85.1 | -163.7 | 74.4 | 10 | 110.2 | C795 V806 R815 E817 | C795-R808 PolarHBondContact SG-N 3.15Å; V806-R808 PolarHBondContact O-N 3.42Å; R808-R815 HydrophobicContact CB-CG 4.23Å; R808-R815 PolarHBondContact N-O 3Å; R808-R815 PolarHBondContact O-N 3.46Å; R808-E817 HydrophobicContact CB-CG 3.98Å; R808-E817 HydrophobicContact CG-CG 3.73Å; R808-E817 IonicContact CZ-OE1 3.48Å; R808-E817 IonicContact NH1-OE1 2.93Å; R808-E817 PolarHBondContact NH1-OE1 2.82Å |
| 809 | P | 64.5 | Low | 65.4 | Low | 71 Ų | 71 | 65.1 Ų | 65.1 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 135.5 | 176.9 | 31.2 | -35.1 | 0 | 0 | 0 | 110.6 | P794 C795 | P794-P809 HydrophobicContact CB-CB 3.96Å; P794-P809 HydrophobicContact CG-CB 3.69Å; C795-P809 VanDerWaalsContact SG-N 3.45Å |
| 810 | E | 52 | Low | 65.4 | Low | 92 Ų | 92 | 67.6 Ų | 67.6 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 90.7 | -175 | -174.1 | 162.2 | -136.8 | 0 | 0 | 108.6 | A812 S813 R815 | E810-A812 PolarHBondContact O-N 2.84Å; E810-S813 CarbonylContact C-O 3.53Å; E810-S813 PolarHBondContact N-O 3.31Å; E810-S813 CarbonylContact O-C 3.5Å; E810-S813 WeakPolarHBondContact O-CA 3.27Å; E810-S813 VanDerWaalsContact O-CB 3.3Å; E810-S813 WeakPolarHBondContact O-CB 3.42Å; E810-S813 PolarHBondContact O-N 3.42Å; E810-R815 IonicContact OE1-NE 2.7Å; E810-R815 VanDerWaalsContact OE2-CD 3.24Å; E810-R815 WeakPolarHBondContact OE2-CD 3.42Å; E810-R815 IonicContact OE2-NE 3.36Å; E810-R815 PolarHBondContact OE2-NE 3Å |
| 811 | G | 59.6 | Low | 65 | Low | 58 Ų | 58 | 67.5 Ų | 67.5 | 60% | 0.598 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | -112.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | D688 | D688-G811 WeakPolarHBondContact OD1-CA 3.47Š|
| 812 | A | 49.9 | Very low | 65.1 | Low | 8 Ų | 8 | 62.6 Ų | 62.6 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 19.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D688 T690 P794 E810 | D688-A812 WeakPolarHBondContact O-CB 3.38Å; T690-A812 WeakPolarHBondContact CB-O 3.04Å; T690-A812 VanDerWaalsContact CG2-O 3.25Å; T690-A812 WeakPolarHBondContact CG2-O 3.35Å; T690-A812 PolarHBondContact OG1-O 3.28Å; P794-A812 VanDerWaalsContact CG-CA 3.42Å; P794-A812 HydrophobicContact CG-CB 3.85Å; E810-A812 PolarHBondContact O-N 2.84Å |
| 813 | S | 52.4 | Low | 65.1 | Low | 51 Ų | 51 | 63.8 Ų | 63.8 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 170.5 | 148 | -171 | 0 | 0 | 0 | 0 | 109.3 | P794 E810 | P794-S813 WeakPolarHBondContact CB-O 3.41Å; P794-S813 WeakPolarHBondContact CG-O 3.44Å; E810-S813 CarbonylContact C-O 3.53Å; E810-S813 PolarHBondContact N-O 3.31Å; E810-S813 CarbonylContact O-C 3.5Å; E810-S813 WeakPolarHBondContact O-CA 3.27Å; E810-S813 VanDerWaalsContact O-CB 3.3Å; E810-S813 WeakPolarHBondContact O-CB 3.42Å; E810-S813 PolarHBondContact O-N 3.42Å |
| 814 | Y | 68.3 | Low | 65.2 | Low | 64 Ų | 64 | 59.2 Ų | 59.2 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.6 | 164.9 | 67.2 | -80.2 | 0 | 0 | 0 | 110 | D762 P794 V798 C807 | D762-Y814 WeakPolarHBondContact OD2-CE1 3.33Å; D762-Y814 PolarHBondContact OD2-OH 2.88Å; P794-Y814 WeakPolarHBondContact O-CB 3.42Å; V798-Y814 HydrophobicContact CB-CD2 4.33Å; V798-Y814 HydrophobicContact CB-CE2 4.32Å; V798-Y814 HydrophobicContact CG1-CD2 3.6Å; V798-Y814 HydrophobicContact CG1-CE2 3.39Å; V798-Y814 HydrophobicContact CG1-CG 4.47Å; V798-Y814 HydrophobicContact CG2-CD1 4.08Å; V798-Y814 HydrophobicContact CG2-CD2 3.92Å; V798-Y814 HydrophobicContact CG2-CE1 4.08Å; V798-Y814 HydrophobicContact CG2-CE2 3.92Å; V798-Y814 HydrophobicContact CG2-CG 3.99Å; C807-Y814 VanDerWaalsContact SG-CB 3.57Å |
| 815 | R | 64.7 | Low | 64.7 | Low | 94 Ų | 94 | 60.6 Ų | 60.6 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.2 | 163.5 | 74.1 | -166.3 | -38.3 | -82.2 | -18.8 | 109 | R808 E810 E817 | R808-R815 HydrophobicContact CB-CG 4.23Å; R808-R815 PolarHBondContact N-O 3Å; R808-R815 PolarHBondContact O-N 3.46Å; E810-R815 IonicContact OE1-NE 2.7Å; E810-R815 VanDerWaalsContact OE2-CD 3.24Å; E810-R815 WeakPolarHBondContact OE2-CD 3.42Å; E810-R815 IonicContact OE2-NE 3.36Å; E810-R815 PolarHBondContact OE2-NE 3Å; R815-E817 WeakPolarHBondContact CD-OE2 3.49Å; R815-E817 HydrophobicContact CG-CB 4.25Å; R815-E817 HydrophobicContact CG-CG 4.24Å; R815-E817 IonicContact CZ-OE2 2.79Å; R815-E817 IonicContact NE-OE2 3.25Å; R815-E817 IonicContact NH1-OE2 3.49Å; R815-E817 PolarHBondContact NH1-OE2 3.45Å; R815-E817 PolarHBondContact O-N 2.86Å |
| 816 | C | 69.8 | Low | 64.1 | Low | 35 Ų | 35 | 63.6 Ų | 63.6 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 119.2 | 157.4 | -71.2 | 0 | 0 | 0 | 0 | 107.4 | C800 E805 | C800-C816 VanDerWaalsContact CA-SG 3.51Å; C800-C816 HydrophobicContact CB-CB 3.71Å; C800-C816 WeakPolarHBondContact CB-SG 3.42Å; C800-C816 VanDerWaalsContact SG-CA 3.59Å; C800-C816 WeakPolarHBondContact SG-CB 3.45Å; C800-C816 CovalentContact SG-SG 2.04Å; C800-C816 PolarHBondContact SG-SG 2.04Å; E805-C816 HydrophobicContact CB-CB 4.19Å; E805-C816 WeakPolarHBondContact OE2-CB 3.26Å |
| 817 | E | 68.7 | Low | 63.5 | Low | 50 Ų | 50 | 63.5 Ų | 63.5 | 23% | 0.234 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 157.4 | 174.2 | 68.7 | 172.2 | -151.4 | 0 | 0 | 110 | E805 V806 R808 R815 G819 | E805-E817 CarbonylContact C-O 3.54Å; E805-E817 WeakPolarHBondContact CA-O 3.18Å; V806-E817 PolarHBondContact N-O 2.96Å; V806-E817 PolarHBondContact O-N 2.96Å; R808-E817 HydrophobicContact CB-CG 3.98Å; R808-E817 HydrophobicContact CG-CG 3.73Å; R808-E817 IonicContact CZ-OE1 3.48Å; R808-E817 IonicContact NH1-OE1 2.93Å; R808-E817 PolarHBondContact NH1-OE1 2.82Å; R815-E817 WeakPolarHBondContact CD-OE2 3.49Å; R815-E817 HydrophobicContact CG-CB 4.25Å; R815-E817 HydrophobicContact CG-CG 4.24Å; R815-E817 IonicContact CZ-OE2 2.79Å; R815-E817 IonicContact NE-OE2 3.25Å; R815-E817 IonicContact NH1-OE2 3.49Å; R815-E817 PolarHBondContact NH1-OE2 3.45Å; R815-E817 PolarHBondContact O-N 2.86Å; E817-G819 PolarHBondContact O-N 3.4Å |
| 818 | C | 73.6 | Confident | 62.7 | Low | 11 Ų | 11 | 66.2 Ų | 66.2 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 133.5 | -177 | -62 | 0 | 0 | 0 | 0 | 112.2 | L822 L824 C830 | C818-L822 HydrophobicContact CB-CB 3.66Å; C818-L824 WeakPolarHBondContact SG-CA 3.4Å; C818-L824 PolarHBondContact SG-N 2.98Å; C818-C830 WeakPolarHBondContact CA-SG 3.32Å; C818-C830 HydrophobicContact CB-CB 3.51Å; C818-C830 WeakPolarHBondContact CB-SG 3.42Å; C818-C830 WeakPolarHBondContact SG-CA 3.2Å; C818-C830 WeakPolarHBondContact SG-CB 3.16Å; C818-C830 CovalentContact SG-SG 2.03Å; C818-C830 PolarHBondContact SG-SG 3.27Å |
| 819 | G | 69.1 | Low | 62.1 | Low | 8 Ų | 8 | 64.4 Ų | 64.4 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | trans | -53.1 | 151 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G804 E817 G821 L822 | G804-G819 PolarHBondContact O-N 3.29Å; E817-G819 PolarHBondContact O-N 3.4Å; G819-G821 PolarHBondContact O-N 3.02Å; G819-G821 VanDerWaalsContact O-N 3.09Å; G819-L822 WeakPolarHBondContact O-CA 3.4Å; G819-L822 WeakPolarHBondContact O-CB 3.39Å; G819-L822 WeakPolarHBondContact O-CG 3.43Å; G819-L822 PolarHBondContact O-N 3.45Å | ||
| 820 | Q | 63.4 | Low | 62.2 | Low | 156 Ų | 156 | 61.8 Ų | 61.8 | 73% | 0.729 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 115.4 | -165.9 | -166 | 166.4 | 3.7 | 0 | 0 | 113.7 | ||
| 821 | G | 60.1 | Low | 62.8 | Low | 24 Ų | 24 | 61.1 Ų | 61.1 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 106.8 | -22.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G819 | G819-G821 PolarHBondContact O-N 3.02Å; G819-G821 VanDerWaalsContact O-N 3.09Å |
| 822 | L | 64.4 | Low | 62.8 | Low | 59 Ų | 59 | 61 Ų | 61 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 154.3 | 169.6 | -50.4 | 172.6 | 0 | 0 | 0 | 110.4 | C818 G819 C830 Q831 A832 | C818-L822 HydrophobicContact CB-CB 3.66Å; G819-L822 WeakPolarHBondContact O-CA 3.4Å; G819-L822 WeakPolarHBondContact O-CB 3.39Å; G819-L822 WeakPolarHBondContact O-CG 3.43Å; G819-L822 PolarHBondContact O-N 3.45Å; L822-C830 HydrophobicContact CB-CB 4.23Å; L822-C830 HydrophobicContact CD1-CB 4.04Å; L822-Q831 CarbonylContact C-O 3.41Å; L822-Q831 WeakPolarHBondContact CA-O 2.93Å; L822-A832 HydrophobicContact CD2-CB 4.05Å |
| 823 | K | 66.6 | Low | 63.1 | Low | 125 Ų | 125 | 63.7 Ų | 63.7 | 54% | 0.543 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 156.9 | 165.2 | -65 | -172.2 | -173.5 | 127 | 0 | 109.6 | M825 C830 Q831 T833 | K823-M825 PolarHBondContact O-N 2.82Å; K823-C830 WeakPolarHBondContact O-CA 3.45Å; K823-Q831 PolarHBondContact N-O 2.78Å; K823-Q831 PolarHBondContact O-N 2.93Å; K823-T833 HydrophobicContact CB-CG2 3.94Å; K823-T833 HydrophobicContact CD-CG2 4.06Å; K823-T833 WeakPolarHBondContact CD-OG1 3.39Å; K823-T833 WeakPolarHBondContact CE-OG1 3.34Å; K823-T833 HydrophobicContact CG-CG2 4.16Å; K823-T833 PolarHBondContact NZ-OG1 2.82Å |
| 824 | L | 63.4 | Low | 63 | Low | 86 Ų | 86 | 63.6 Ų | 63.6 | 45% | 0.45 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 120.3 | 174 | -168.9 | 68.6 | 0 | 0 | 0 | 108.3 | C818 | C818-L824 WeakPolarHBondContact SG-CA 3.4Å; C818-L824 PolarHBondContact SG-N 2.98Å |
| 825 | M | 60.1 | Low | 61.9 | Low | 59 Ų | 59 | 68.4 Ų | 68.4 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | trans | -87.2 | 161.6 | 176.5 | -62 | -65.4 | -77.6 | 0 | 0 | 109.7 | K823 D827 N828 T829 Q831 T833 | K823-M825 PolarHBondContact O-N 2.82Å; M825-D827 VanDerWaalsContact CB-OD1 3.29Å; M825-D827 WeakPolarHBondContact CB-OD1 3.49Å; M825-D827 PolarHBondContact O-N 3.07Å; M825-D827 VanDerWaalsContact O-N 3.13Å; M825-N828 WeakPolarHBondContact O-CA 3.18Å; M825-N828 PolarHBondContact O-N 2.82Å; M825-T829 PolarHBondContact N-O 2.03Å; M825-Q831 HydrophobicContact CG-CB 3.66Å; M825-Q831 HydrophobicContact CG-CG 3.68Å; M825-Q831 HydrophobicContact SD-CB 4.3Å; M825-T833 HydrophobicContact SD-CG2 4.13Å | ||
| 826 | P | 58.5 | Low | 61 | Low | 91 Ų | 91 | 69.1 Ų | 69.1 | 59% | 0.591 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.3 | -178.2 | -26.1 | 36.1 | 0 | 0 | 0 | 114.5 | N828 | P826-N828 PolarHBondContact O-N 2.81Š|
| 827 | D | 60.2 | Low | 59.4 | Low | 78 Ų | 78 | 71.2 Ų | 71.2 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 4.7 | 172.7 | 65.5 | 5.4 | 0 | 0 | 0 | 114.2 | M825 T829 Q831 | M825-D827 VanDerWaalsContact CB-OD1 3.29Å; M825-D827 WeakPolarHBondContact CB-OD1 3.49Å; M825-D827 PolarHBondContact O-N 3.07Å; M825-D827 VanDerWaalsContact O-N 3.13Å; D827-T829 VanDerWaalsContact C-N 3.26Å; D827-T829 PolarHBondContact O-N 2.62Å; D827-T829 VanDerWaalsContact OD1-CB 3.31Å; D827-T829 WeakPolarHBondContact OD1-CB 3.26Å; D827-T829 WeakPolarHBondContact OD1-CG2 3.35Å; D827-T829 PolarHBondContact OD1-N 3.22Å; D827-T829 PolarHBondContact OD1-OG1 3.22Å; D827-T829 PolarHBondContact OD2-OG1 3.29Å; D827-T829 VanDerWaalsContact OD2-OG1 3.1Å; D827-Q831 PolarHBondContact OD2-NE2 2.74Å |
| 828 | N | 53.6 | Low | 57.8 | Low | 78 Ų | 78 | 72.4 Ų | 72.4 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 62.5 | 21.6 | -172.5 | -66.2 | -83.6 | 0 | 0 | 0 | 115.2 | R802 M825 P826 | R802-N828 VanDerWaalsContact CZ-OD1 3.23Å; R802-N828 PolarHBondContact NH1-OD1 2.69Å; R802-N828 VanDerWaalsContact NH2-CG 3.31Å; R802-N828 PolarHBondContact NH2-OD1 3.35Å; M825-N828 WeakPolarHBondContact O-CA 3.18Å; M825-N828 PolarHBondContact O-N 2.82Å; P826-N828 PolarHBondContact O-N 2.81Å |
| 829 | T | 61.3 | Low | 56.1 | Low | 54 Ų | 54 | 75.1 Ų | 75.1 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | trans | -100.7 | 158.8 | 171.8 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | M825 D827 Q831 | M825-T829 PolarHBondContact N-O 2.03Å; D827-T829 VanDerWaalsContact C-N 3.26Å; D827-T829 PolarHBondContact O-N 2.62Å; D827-T829 VanDerWaalsContact OD1-CB 3.31Å; D827-T829 WeakPolarHBondContact OD1-CB 3.26Å; D827-T829 WeakPolarHBondContact OD1-CG2 3.35Å; D827-T829 PolarHBondContact OD1-N 3.22Å; D827-T829 PolarHBondContact OD1-OG1 3.22Å; D827-T829 PolarHBondContact OD2-OG1 3.29Å; D827-T829 VanDerWaalsContact OD2-OG1 3.1Å; T829-Q831 PolarHBondContact OG1-NE2 3.2Å | ||
| 830 | C | 66.5 | Low | 54.6 | Low | 16 Ų | 16 | 81.8 Ų | 81.8 | 11% | 0.108 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 111.7 | -179.6 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | E805 C818 L822 K823 | E805-C830 WeakPolarHBondContact CG-SG 3.43Å; E805-C830 PolarHBondContact N-SG 2.97Å; E805-C830 VanDerWaalsContact N-SG 3.44Å; C818-C830 WeakPolarHBondContact CA-SG 3.32Å; C818-C830 HydrophobicContact CB-CB 3.51Å; C818-C830 WeakPolarHBondContact CB-SG 3.42Å; C818-C830 WeakPolarHBondContact SG-CA 3.2Å; C818-C830 WeakPolarHBondContact SG-CB 3.16Å; C818-C830 CovalentContact SG-SG 2.03Å; C818-C830 PolarHBondContact SG-SG 3.27Å; L822-C830 HydrophobicContact CB-CB 4.23Å; L822-C830 HydrophobicContact CD1-CB 4.04Å; K823-C830 WeakPolarHBondContact O-CA 3.45Å |
| 831 | Q | 65.3 | Low | 53.4 | Low | 78 Ų | 78 | 81.9 Ų | 81.9 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.3 | -174.5 | -52.8 | -177.5 | 19.6 | 0 | 0 | 112.5 | L822 K823 M825 D827 T829 | L822-Q831 CarbonylContact C-O 3.41Å; L822-Q831 WeakPolarHBondContact CA-O 2.93Å; K823-Q831 PolarHBondContact N-O 2.78Å; K823-Q831 PolarHBondContact O-N 2.93Å; M825-Q831 HydrophobicContact CG-CB 3.66Å; M825-Q831 HydrophobicContact CG-CG 3.68Å; M825-Q831 HydrophobicContact SD-CB 4.3Å; D827-Q831 PolarHBondContact OD2-NE2 2.74Å; T829-Q831 PolarHBondContact OG1-NE2 3.2Å |
| 832 | A | 59.2 | Low | 52.4 | Low | 57 Ų | 57 | 84.3 Ų | 84.3 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L822 | L822-A832 HydrophobicContact CD2-CB 4.05Å |
| 833 | T | 56.9 | Low | 51.3 | Low | 63 Ų | 63 | 84.9 Ų | 84.9 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | trans | -101.6 | 4 | -173.9 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | K823 M825 | K823-T833 HydrophobicContact CB-CG2 3.94Å; K823-T833 HydrophobicContact CD-CG2 4.06Å; K823-T833 WeakPolarHBondContact CD-OG1 3.39Å; K823-T833 WeakPolarHBondContact CE-OG1 3.34Å; K823-T833 HydrophobicContact CG-CG2 4.16Å; K823-T833 PolarHBondContact NZ-OG1 2.82Å; M825-T833 HydrophobicContact SD-CG2 4.13Å | ||
| 834 | S | 48.5 | Very low | 50.1 | Low | 50 Ų | 50 | 84.6 Ų | 84.6 | 35% | 0.35 | 50% | 0.495 | S | S | . | . | trans | -154 | 139.3 | 175 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | V836 | S834-V836 PolarHBondContact O-N 3.01Å; S834-V836 PolarHBondContact OG-N 3.31Å | ||
| 835 | L | 45.3 | Very low | 49.1 | Very low | 165 Ų | 165 | 87.7 Ų | 87.7 | 86% | 0.864 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -16 | 174.3 | -81.5 | 157.7 | 0 | 0 | 0 | 113.5 | ||
| 836 | V | 45.8 | Very low | 48.9 | Very low | 109 Ų | 109 | 85 Ų | 85 | 66% | 0.661 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -37 | -176.9 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | S834 V838 A839 | S834-V836 PolarHBondContact O-N 3.01Å; S834-V836 PolarHBondContact OG-N 3.31Å; V836-V838 VanDerWaalsContact C-N 3.26Å; V836-V838 PolarHBondContact O-N 3.12Å; V836-A839 PolarHBondContact O-N 2.91Å |
| 837 | D | 37.1 | Very low | 48.8 | Very low | 78 Ų | 78 | 83.2 Ų | 83.2 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -73.6 | -18.9 | -174.1 | -63.2 | -51.5 | 0 | 0 | 0 | 113.1 | A839 N840 | D837-A839 PolarHBondContact O-N 3.23Å; D837-N840 PolarHBondContact O-N 3Å |
| 838 | V | 35.2 | Very low | 48.7 | Very low | 76 Ų | 76 | 85.4 Ų | 85.4 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -59.6 | -29.5 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | V836 N840 | V836-V838 VanDerWaalsContact C-N 3.26Å; V836-V838 PolarHBondContact O-N 3.12Å; V838-N840 PolarHBondContact O-N 3.39Å |
| 839 | A | 38.4 | Very low | 48.9 | Very low | 67 Ų | 67 | 83.8 Ų | 83.8 | 55% | 0.554 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -69.6 | -29 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V836 D837 | V836-A839 PolarHBondContact O-N 2.91Å; D837-A839 PolarHBondContact O-N 3.23Å |
| 840 | N | 37.2 | Very low | 49.3 | Very low | 148 Ų | 148 | 87 Ų | 87 | 79% | 0.791 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -92.2 | -4.6 | -172 | -74.4 | -22.9 | 0 | 0 | 0 | 114.3 | D837 V838 L842 | D837-N840 PolarHBondContact O-N 3Å; V838-N840 PolarHBondContact O-N 3.39Å; N840-L842 PolarHBondContact O-N 2.99Å |
| 841 | Y | 38.8 | Very low | 49.6 | Very low | 159 Ų | 159 | 87.9 Ų | 87.9 | 62% | 0.624 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -78.1 | -5.5 | 179.9 | -166.4 | -97.1 | 0 | 0 | 0 | 113.6 | G843 | Y841-G843 VanDerWaalsContact C-N 3.31Å; Y841-G843 PolarHBondContact O-N 2.03Å |
| 842 | L | 37.6 | Very low | 50.4 | Low | 75 Ų | 75 | 86.3 Ų | 86.3 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 15.1 | -166.6 | -90.8 | 154.5 | 0 | 0 | 0 | 116.7 | N840 A855 L868 | N840-L842 PolarHBondContact O-N 2.99Å; L842-A855 WeakPolarHBondContact CD2-O 3.38Å; L842-L868 HydrophobicContact CD1-CD1 3.69Å; L842-L868 HydrophobicContact CD2-CD1 3.84Å; L842-L868 HydrophobicContact CD2-CD2 4.06Å; L842-L868 HydrophobicContact CD2-CG 4.21Å; L842-L868 HydrophobicContact CG-CD1 4.23Å; L842-L868 HydrophobicContact CG-CD2 4.4Å |
| 843 | G | 41.8 | Very low | 51.1 | Low | 71 Ų | 71 | 88.6 Ų | 88.6 | 73% | 0.732 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -6.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y841 | Y841-G843 VanDerWaalsContact C-N 3.31Å; Y841-G843 PolarHBondContact O-N 2.03Å |
| 844 | V | 41.8 | Very low | 52.1 | Low | 118 Ų | 118 | 88.5 Ų | 88.5 | 72% | 0.715 | 52% | 0.524 | S | S | * | . | trans | -98.3 | 124.2 | -167 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 845 | Q | 42.3 | Very low | 53.5 | Low | 152 Ų | 152 | 86.5 Ų | 86.5 | 71% | 0.71 | 51% | 0.51 | S | S | * | . | trans | -78.7 | 148.7 | -177.1 | -67.4 | -172.8 | -53.8 | 0 | 0 | 113.5 | ||||
| 846 | C | 55.9 | Low | 54.8 | Low | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.007 | 49% | 0.488 | C | S | . | . | B | Isolated β-bridge | trans | -108 | 69.9 | -168.7 | -153.2 | 0 | 0 | 0 | 0 | 113.1 | S848 V849 C851 C857 A863 F864 | C846-S848 PolarHBondContact O-N 3.22Å; C846-V849 PolarHBondContact O-N 3.15Å; C846-C851 WeakPolarHBondContact CB-SG 3.39Å; C846-C857 WeakPolarHBondContact CA-SG 3.11Å; C846-C857 HydrophobicContact CB-CB 3.47Å; C846-C857 VanDerWaalsContact CB-CB 3.47Å; C846-C857 WeakPolarHBondContact CB-SG 3.31Å; C846-C857 WeakPolarHBondContact SG-CA 3.07Å; C846-C857 WeakPolarHBondContact SG-CB 2.96Å; C846-C857 CovalentContact SG-SG 2.04Å; C846-C857 PolarHBondContact SG-SG 2.63Å; C846-A863 WeakPolarHBondContact O-CB 3.27Å; C846-A863 VanDerWaalsContact SG-C 3.57Å; C846-F864 PolarHBondContact SG-O 3.21Å |
| 847 | G | 56.6 | Low | 56 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 57% | 0.567 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | -123.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | P860 | G847-P860 WeakPolarHBondContact CA-O 3.17Š|
| 848 | S | 58.2 | Low | 57.5 | Low | 124 Ų | 124 | 80.6 Ų | 80.6 | 87% | 0.867 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6.4 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 114.7 | C846 | C846-S848 PolarHBondContact O-N 3.22Š|
| 849 | V | 58.5 | Low | 58.5 | Low | 44 Ų | 44 | 79 Ų | 79 | 27% | 0.267 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -104.2 | 116 | -176.9 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | C846 C851 A863 V876 | C846-V849 PolarHBondContact O-N 3.15Å; V849-C851 PolarHBondContact O-N 2.73Å; V849-A863 HydrophobicContact CB-CB 3.91Å; V849-A863 HydrophobicContact CG2-CB 3.56Å; V849-V876 HydrophobicContact CG1-CB 4.25Å; V849-V876 HydrophobicContact CG1-CG1 3.65Å; V849-V876 HydrophobicContact CG1-CG2 3.58Å |
| 850 | N | 68.8 | Low | 59.3 | Low | 121 Ų | 121 | 79 Ų | 79 | 65% | 0.647 | 45% | 0.451 | S | S | * | . | trans | -73.3 | 106.5 | 167.9 | -77.2 | -42.7 | 0 | 0 | 0 | 108.5 | ||||
| 851 | C | 73.3 | Confident | 60 | Low | 34 Ų | 34 | 79.4 Ų | 79.4 | 23% | 0.23 | 45% | 0.454 | C | S | . | . | trans | -62.6 | 150.4 | 171.3 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | C846 V849 A855 C865 G875 | C846-C851 WeakPolarHBondContact CB-SG 3.39Å; V849-C851 PolarHBondContact O-N 2.73Å; C851-A855 HydrophobicContact CB-CB 3.98Å; C851-C865 WeakPolarHBondContact CA-SG 3.42Å; C851-C865 HydrophobicContact CB-CB 3.7Å; C851-C865 WeakPolarHBondContact CB-SG 3.04Å; C851-C865 WeakPolarHBondContact SG-CB 3.38Å; C851-C865 CovalentContact SG-SG 2.04Å; C851-C865 PolarHBondContact SG-SG 3Å; C851-G875 CarbonylContact C-O 3.36Å; C851-G875 VanDerWaalsContact CA-O 3.28Å; C851-G875 WeakPolarHBondContact CA-O 3.14Å; C851-G875 WeakPolarHBondContact CB-O 3.45Å | ||
| 852 | H | 81 | Confident | 61.1 | Low | 45 Ų | 45 | 79.1 Ų | 79.1 | 21% | 0.208 | 46% | 0.458 | C | S | . | . | trans | -59.1 | 154 | 172.4 | -174 | -92 | 0 | 0 | 0 | 111 | H854 A855 G875 V876 C879 | H852-H854 AromaticContact CE1-ND1 3.63Å; H852-H854 PolarHBondContact ND1-N 3.17Å; H852-H854 PolarHBondContact O-N 2.91Å; H852-A855 HydrophobicContact CB-CB 4.29Å; H852-A855 WeakPolarHBondContact O-CB 3.43Å; H852-A855 PolarHBondContact O-N 2.76Å; H852-G875 PolarHBondContact N-O 3.04Å; H852-V876 PolarHBondContact N-O 3.23Å; H852-C879 HydrophobicContact CB-CB 4.46Å; H852-C879 PolarHBondContact CE1-N 3.3Å; H852-C879 VanDerWaalsContact CE1-N 3.34Å; H852-C879 PolarHBondContact CE1-O 3.04Å; H852-C879 VanDerWaalsContact CE1-O 3.28Å; H852-C879 WeakPolarHBondContact ND1-CB 3.4Å; H852-C879 PolarHBondContact ND1-N 3.27Å; H852-C879 PolarHBondContact NE2-N 3.37Å | ||
| 853 | T | 75.3 | Confident | 62.1 | Low | 106 Ų | 106 | 76.6 Ų | 76.6 | 65% | 0.65 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -13.1 | -175.3 | 58.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 854 | H | 77.4 | Confident | 63.5 | Low | 61 Ų | 61 | 78.6 Ų | 78.6 | 28% | 0.282 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 32.9 | 172.8 | -46.2 | 131.2 | 0 | 0 | 0 | 111.5 | H852 C867 L868 Y871 C879 | H852-H854 AromaticContact CE1-ND1 3.63Å; H852-H854 PolarHBondContact ND1-N 3.17Å; H852-H854 PolarHBondContact O-N 2.91Å; H854-C867 CarbonylContact O-C 3.53Å; H854-C867 WeakPolarHBondContact O-CA 3.29Å; H854-L868 HydrophobicContact CB-CD1 4.25Å; H854-L868 WeakPolarHBondContact O-CG 3.27Å; H854-L868 PolarHBondContact O-N 3.28Å; H854-Y871 HydrophobicContact CB-CD1 3.51Å; H854-Y871 HydrophobicContact CB-CD2 3.88Å; H854-Y871 HydrophobicContact CB-CE1 3.81Å; H854-Y871 HydrophobicContact CB-CE2 4.13Å; H854-Y871 HydrophobicContact CB-CG 3.55Å; H854-Y871 AromaticContact CD2-CE1 3.9Å; H854-Y871 AromaticContact CD2-CZ 3.82Å; H854-Y871 AromaticContact CE1-CE1 3.69Å; H854-Y871 AromaticContact CG-CD1 3.6Å; H854-Y871 AromaticContact CG-CE1 3.39Å; H854-Y871 AromaticContact CG-CZ 3.71Å; H854-Y871 AromaticContact ND1-CD1 3.53Å; H854-Y871 AromaticContact ND1-CE1 3.24Å; H854-Y871 WeakPolarHBondContact ND1-CE1 3.27Å; H854-Y871 AromaticContact ND1-CZ 3.97Å; H854-C879 HydrophobicContact CB-CB 3.99Å; H854-C879 PolarHBondContact ND1-O 2.87Å |
| 855 | A | 78 | Confident | 65.2 | Low | 7 Ų | 7 | 73.5 Ų | 73.5 | 6% | 0.058 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 157.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | L842 C851 H852 Q866 G875 | L842-A855 WeakPolarHBondContact CD2-O 3.38Å; C851-A855 HydrophobicContact CB-CB 3.98Å; H852-A855 HydrophobicContact CB-CB 4.29Å; H852-A855 WeakPolarHBondContact O-CB 3.43Å; H852-A855 PolarHBondContact O-N 2.76Å; A855-Q866 CarbonylContact C-O 3.51Å; A855-Q866 WeakPolarHBondContact CA-O 3.47Å; A855-Q866 VanDerWaalsContact CB-O 3.29Å; A855-Q866 WeakPolarHBondContact CB-O 3.47Å; A855-G875 VanDerWaalsContact CB-O 3.27Å; A855-G875 WeakPolarHBondContact CB-O 3.38Å |
| 856 | R | 72 | Confident | 67 | Low | 108 Ų | 108 | 69.8 Ų | 69.8 | 41% | 0.408 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 154.9 | 172.9 | 63.6 | 177.7 | -177.5 | 169.8 | 3.9 | 109.8 | C865 Q866 | R856-C865 WeakPolarHBondContact O-CA 3.34Å; R856-Q866 PolarHBondContact N-O 3.01Å; R856-Q866 PolarHBondContact O-N 2.84Å |
| 857 | C | 70.9 | Confident | 68.2 | Low | 26 Ų | 26 | 70.6 Ų | 70.6 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 143 | 163.4 | -160.7 | 0 | 0 | 0 | 0 | 110.2 | C846 P860 | C846-C857 WeakPolarHBondContact CA-SG 3.11Å; C846-C857 HydrophobicContact CB-CB 3.47Å; C846-C857 VanDerWaalsContact CB-CB 3.47Å; C846-C857 WeakPolarHBondContact CB-SG 3.31Å; C846-C857 WeakPolarHBondContact SG-CA 3.07Å; C846-C857 WeakPolarHBondContact SG-CB 2.96Å; C846-C857 CovalentContact SG-SG 2.04Å; C846-C857 PolarHBondContact SG-SG 2.63Å; C857-P860 VanDerWaalsContact SG-CA 3.56Å; C857-P860 VanDerWaalsContact SG-N 3.44Å |
| 858 | I | 68.7 | Low | 69 | Low | 94 Ų | 94 | 69.2 Ų | 69.2 | 48% | 0.482 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -49.1 | 161.5 | -50.2 | -173.3 | 0 | 0 | 0 | 110.1 | F864 Q866 | I858-F864 HydrophobicContact CB-CD1 4.12Å; I858-F864 HydrophobicContact CD1-CD1 3.86Å; I858-F864 HydrophobicContact CD1-CE1 3.75Å; I858-F864 HydrophobicContact CG1-CD1 4Å; I858-F864 HydrophobicContact CG1-CE1 4.35Å; I858-F864 PolarHBondContact N-O 3.19Å; I858-Q866 HydrophobicContact CD1-CB 3.77Å; I858-Q866 HydrophobicContact CD1-CG 4.17Å; I858-Q866 HydrophobicContact CG1-CB 3.84Å |
| 859 | D | 56 | Low | 69.3 | Low | 43 Ų | 43 | 68.9 Ų | 68.9 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 109.3 | -179.8 | -175.1 | -30.5 | 0 | 0 | 0 | 109.5 | N861 Q862 A863 F864 | D859-N861 VanDerWaalsContact C-N 3.28Å; D859-N861 PolarHBondContact O-N 3.18Å; D859-N861 WeakPolarHBondContact OD1-CA 3.3Å; D859-N861 WeakPolarHBondContact OD1-CB 3.49Å; D859-N861 PolarHBondContact OD1-N 2.69Å; D859-Q862 HydrophobicContact CB-CB 4.1Å; D859-Q862 PolarHBondContact OD1-N 3.1Å; D859-Q862 WeakPolarHBondContact OD2-CG 3.19Å; D859-Q862 PolarHBondContact OD2-NE2 3.06Å; D859-A863 WeakPolarHBondContact O-CA 3.34Å; D859-A863 PolarHBondContact O-N 2.91Å; D859-F864 PolarHBondContact O-N 2.82Å; D859-F864 VanDerWaalsContact O-N 3.08Å |
| 860 | P | 54.5 | Low | 69.7 | Low | 67 Ų | 67 | 67.5 Ų | 67.5 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24 | 178.1 | -22 | 33.8 | 0 | 0 | 0 | 114.7 | G847 C857 | G847-P860 WeakPolarHBondContact CA-O 3.17Å; C857-P860 VanDerWaalsContact SG-CA 3.56Å; C857-P860 VanDerWaalsContact SG-N 3.44Å |
| 861 | N | 51.8 | Low | 70.1 | Confident | 157 Ų | 157 | 64.9 Ų | 64.9 | 84% | 0.84 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -37.8 | -178.4 | -61.1 | -36 | 0 | 0 | 0 | 111.1 | D859 A863 | D859-N861 VanDerWaalsContact C-N 3.28Å; D859-N861 PolarHBondContact O-N 3.18Å; D859-N861 WeakPolarHBondContact OD1-CA 3.3Å; D859-N861 WeakPolarHBondContact OD1-CB 3.49Å; D859-N861 PolarHBondContact OD1-N 2.69Å; N861-A863 VanDerWaalsContact C-N 3.3Å |
| 862 | Q | 63.4 | Low | 70.1 | Confident | 153 Ų | 153 | 68.7 Ų | 68.7 | 72% | 0.715 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.2 | 171.4 | -63.4 | -177.6 | 62.6 | 0 | 0 | 113.1 | D859 F864 | D859-Q862 HydrophobicContact CB-CB 4.1Å; D859-Q862 PolarHBondContact OD1-N 3.1Å; D859-Q862 WeakPolarHBondContact OD2-CG 3.19Å; D859-Q862 PolarHBondContact OD2-NE2 3.06Å; Q862-F864 VanDerWaalsContact C-N 3.25Å; Q862-F864 PolarHBondContact O-N 2.97Å |
| 863 | A | 58.4 | Low | 70.1 | Confident | 21 Ų | 21 | 69 Ų | 69 | 17% | 0.174 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 38 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C846 V849 D859 N861 | C846-A863 WeakPolarHBondContact O-CB 3.27Å; C846-A863 VanDerWaalsContact SG-C 3.57Å; V849-A863 HydrophobicContact CB-CB 3.91Å; V849-A863 HydrophobicContact CG2-CB 3.56Å; D859-A863 WeakPolarHBondContact O-CA 3.34Å; D859-A863 PolarHBondContact O-N 2.91Å; N861-A863 VanDerWaalsContact C-N 3.3Å |
| 864 | F | 70.7 | Confident | 70 | Confident | 114 Ų | 114 | 67.7 Ų | 67.7 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114 | -173.9 | -172.8 | -90.7 | 0 | 0 | 0 | 112.3 | C846 I858 D859 Q862 Q866 | C846-F864 PolarHBondContact SG-O 3.21Å; I858-F864 HydrophobicContact CB-CD1 4.12Å; I858-F864 HydrophobicContact CD1-CD1 3.86Å; I858-F864 HydrophobicContact CD1-CE1 3.75Å; I858-F864 HydrophobicContact CG1-CD1 4Å; I858-F864 HydrophobicContact CG1-CE1 4.35Å; I858-F864 PolarHBondContact N-O 3.19Å; D859-F864 PolarHBondContact O-N 2.82Å; D859-F864 VanDerWaalsContact O-N 3.08Å; Q862-F864 VanDerWaalsContact C-N 3.25Å; Q862-F864 PolarHBondContact O-N 2.97Å; F864-Q866 HydrophobicContact CE1-CB 4.48Å |
| 865 | C | 77.6 | Confident | 70 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.3 | 178.8 | -62 | 0 | 0 | 0 | 0 | 112.6 | C851 R856 G875 V876 | C851-C865 WeakPolarHBondContact CA-SG 3.42Å; C851-C865 HydrophobicContact CB-CB 3.7Å; C851-C865 WeakPolarHBondContact CB-SG 3.04Å; C851-C865 WeakPolarHBondContact SG-CB 3.38Å; C851-C865 CovalentContact SG-SG 2.04Å; C851-C865 PolarHBondContact SG-SG 3Å; R856-C865 WeakPolarHBondContact O-CA 3.34Å; C865-G875 WeakPolarHBondContact CB-O 3.43Å; C865-V876 HydrophobicContact CB-CG2 4.01Å |
| 866 | Q | 80.1 | Confident | 70.1 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 35% | 0.346 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.1 | 178.5 | -176.9 | -168.3 | 43.5 | 0 | 0 | 110.3 | A855 R856 I858 F864 | A855-Q866 CarbonylContact C-O 3.51Å; A855-Q866 WeakPolarHBondContact CA-O 3.47Å; A855-Q866 VanDerWaalsContact CB-O 3.29Å; A855-Q866 WeakPolarHBondContact CB-O 3.47Å; R856-Q866 PolarHBondContact N-O 3.01Å; R856-Q866 PolarHBondContact O-N 2.84Å; I858-Q866 HydrophobicContact CD1-CB 3.77Å; I858-Q866 HydrophobicContact CD1-CG 4.17Å; I858-Q866 HydrophobicContact CG1-CB 3.84Å; F864-Q866 HydrophobicContact CE1-CB 4.48Å |
| 867 | C | 80 | Confident | 70.4 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 12% | 0.122 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 144.1 | 172.2 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | H854 Y871 R872 G873 C879 | H854-C867 CarbonylContact O-C 3.53Å; H854-C867 WeakPolarHBondContact O-CA 3.29Å; C867-Y871 VanDerWaalsContact CB-O 3.31Å; C867-Y871 WeakPolarHBondContact CB-O 3.14Å; C867-R872 VanDerWaalsContact SG-C 3.51Å; C867-G873 PolarHBondContact SG-N 2.92Å; C867-G873 VanDerWaalsContact SG-N 3.37Å; C867-C879 VanDerWaalsContact CA-SG 3.59Å; C867-C879 HydrophobicContact CB-CB 3.86Å; C867-C879 WeakPolarHBondContact CB-SG 3.42Å; C867-C879 WeakPolarHBondContact SG-CB 3.38Å; C867-C879 CovalentContact SG-SG 2.04Å; C867-C879 PolarHBondContact SG-SG 2.82Å |
| 868 | L | 73.7 | Confident | 70.6 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 158.8 | 179.4 | -71.9 | 169.6 | 0 | 0 | 0 | 112.3 | L842 H854 G870 Y871 | L842-L868 HydrophobicContact CD1-CD1 3.69Å; L842-L868 HydrophobicContact CD2-CD1 3.84Å; L842-L868 HydrophobicContact CD2-CD2 4.06Å; L842-L868 HydrophobicContact CD2-CG 4.21Å; L842-L868 HydrophobicContact CG-CD1 4.23Å; L842-L868 HydrophobicContact CG-CD2 4.4Å; H854-L868 HydrophobicContact CB-CD1 4.25Å; H854-L868 WeakPolarHBondContact O-CG 3.27Å; H854-L868 PolarHBondContact O-N 3.28Å; L868-G870 PolarHBondContact O-N 2.94Å; L868-G870 VanDerWaalsContact O-N 3.15Å; L868-Y871 HydrophobicContact CB-CD2 3.89Å; L868-Y871 HydrophobicContact CD1-CD2 4.48Å; L868-Y871 PolarHBondContact O-N 3.1Å; L868-Y871 VanDerWaalsContact O-O 3.1Å |
| 869 | P | 65.7 | Low | 71.1 | Confident | 116 Ų | 116 | 65.4 Ų | 65.4 | 75% | 0.753 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 122.6 | 165.8 | -25.9 | 35.4 | 0 | 0 | 0 | 111.3 | ||
| 870 | G | 65.3 | Low | 72.1 | Confident | 16 Ų | 16 | 66.9 Ų | 66.9 | 17% | 0.165 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 14.3 | -173 | 0 | 0 | 0 | 0 | 0 | 116.4 | L868 D882 | L868-G870 PolarHBondContact O-N 2.94Å; L868-G870 VanDerWaalsContact O-N 3.15Å; G870-D882 PolarHBondContact O-N 2.9Å |
| 871 | Y | 78.8 | Confident | 72.9 | Confident | 66 Ų | 66 | 69.1 Ų | 69.1 | 26% | 0.259 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.8 | 165.3 | -63.5 | -94.8 | 0 | 0 | 0 | 111.2 | H854 C867 L868 E880 N881 | H854-Y871 HydrophobicContact CB-CD1 3.51Å; H854-Y871 HydrophobicContact CB-CD2 3.88Å; H854-Y871 HydrophobicContact CB-CE1 3.81Å; H854-Y871 HydrophobicContact CB-CE2 4.13Å; H854-Y871 HydrophobicContact CB-CG 3.55Å; H854-Y871 AromaticContact CD2-CE1 3.9Å; H854-Y871 AromaticContact CD2-CZ 3.82Å; H854-Y871 AromaticContact CE1-CE1 3.69Å; H854-Y871 AromaticContact CG-CD1 3.6Å; H854-Y871 AromaticContact CG-CE1 3.39Å; H854-Y871 AromaticContact CG-CZ 3.71Å; H854-Y871 AromaticContact ND1-CD1 3.53Å; H854-Y871 AromaticContact ND1-CE1 3.24Å; H854-Y871 WeakPolarHBondContact ND1-CE1 3.27Å; H854-Y871 AromaticContact ND1-CZ 3.97Å; C867-Y871 VanDerWaalsContact CB-O 3.31Å; C867-Y871 WeakPolarHBondContact CB-O 3.14Å; L868-Y871 HydrophobicContact CB-CD2 3.89Å; L868-Y871 HydrophobicContact CD1-CD2 4.48Å; L868-Y871 PolarHBondContact O-N 3.1Å; L868-Y871 VanDerWaalsContact O-O 3.1Å; Y871-E880 CarbonylContact C-O 3.49Å; Y871-E880 WeakPolarHBondContact CA-O 3.45Å; Y871-E880 WeakPolarHBondContact CB-O 3.24Å; Y871-N881 WeakPolarHBondContact CE1-OD1 3.02Å |
| 872 | R | 71.9 | Confident | 73.8 | Confident | 113 Ų | 113 | 63.3 Ų | 63.3 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.7 | 177.9 | 68.4 | 178.5 | -160 | 178.6 | 6.1 | 111 | C867 C879 E880 D882 | C867-R872 VanDerWaalsContact SG-C 3.51Å; R872-C879 CarbonylContact O-C 3.55Å; R872-C879 VanDerWaalsContact O-CA 3.3Å; R872-C879 WeakPolarHBondContact O-CA 3.27Å; R872-E880 HydrophobicContact CG-CG 3.82Å; R872-E880 IonicContact CZ-OE1 2.66Å; R872-E880 PolarHBondContact N-O 2.99Å; R872-E880 IonicContact NE-OE1 2.71Å; R872-E880 PolarHBondContact NE-OE1 3.46Å; R872-E880 IonicContact NH2-OE1 3.58Å; R872-E880 PolarHBondContact NH2-OE1 2.87Å; R872-E880 WeakPolarHBondContact O-CG 3.02Å; R872-E880 PolarHBondContact O-N 2.87Å; R872-D882 HydrophobicContact CB-CB 4.11Å; R872-D882 HydrophobicContact CG-CB 4.19Å |
| 873 | G | 82.6 | Confident | 74 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148 | -160.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C867 G875 H878 | C867-G873 PolarHBondContact SG-N 2.92Å; C867-G873 VanDerWaalsContact SG-N 3.37Å; G873-G875 VanDerWaalsContact C-N 3.33Å; G873-H878 CarbonylContact C-O 3.19Å; G873-H878 VanDerWaalsContact CA-O 3.28Å; G873-H878 WeakPolarHBondContact CA-O 3.36Å |
| 874 | D | 71.5 | Confident | 74.5 | Confident | 80 Ų | 80 | 59.2 Ų | 59.2 | 43% | 0.428 | 33% | 0.33 | S | S | . | . | trans | -83.2 | -8.2 | -175.6 | 73.1 | -7.7 | 0 | 0 | 0 | 113.7 | V876 S877 H878 | D874-V876 PolarHBondContact O-N 3.1Å; D874-V876 PolarHBondContact OD1-N 3.46Å; D874-S877 PolarHBondContact OD1-N 3.47Å; D874-S877 WeakPolarHBondContact OD2-CB 3.38Å; D874-S877 PolarHBondContact OD2-N 2.88Å; D874-S877 VanDerWaalsContact OD2-N 3.13Å; D874-S877 PolarHBondContact OD2-OG 2.83Å; D874-H878 PolarHBondContact N-O 3.49Å; D874-H878 PolarHBondContact OD1-N 2.96Å; D874-H878 VanDerWaalsContact OD1-O 3.09Å | ||
| 875 | G | 77.3 | Confident | 74 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 78.1 | -9.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C851 H852 A855 C865 G873 | C851-G875 CarbonylContact C-O 3.36Å; C851-G875 VanDerWaalsContact CA-O 3.28Å; C851-G875 WeakPolarHBondContact CA-O 3.14Å; C851-G875 WeakPolarHBondContact CB-O 3.45Å; H852-G875 PolarHBondContact N-O 3.04Å; A855-G875 VanDerWaalsContact CB-O 3.27Å; A855-G875 WeakPolarHBondContact CB-O 3.38Å; C865-G875 WeakPolarHBondContact CB-O 3.43Å; G873-G875 VanDerWaalsContact C-N 3.33Å |
| 876 | V | 80.2 | Confident | 73.4 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 39% | 0.388 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -121.3 | -60.4 | -167.5 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | V849 H852 C865 D874 | V849-V876 HydrophobicContact CG1-CB 4.25Å; V849-V876 HydrophobicContact CG1-CG1 3.65Å; V849-V876 HydrophobicContact CG1-CG2 3.58Å; H852-V876 PolarHBondContact N-O 3.23Å; C865-V876 HydrophobicContact CB-CG2 4.01Å; D874-V876 PolarHBondContact O-N 3.1Å; D874-V876 PolarHBondContact OD1-N 3.46Å |
| 877 | S | 79 | Confident | 72.6 | Confident | 90 Ų | 90 | 62.9 Ų | 62.9 | 63% | 0.629 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -99 | -22.7 | 179.1 | 74.7 | 0 | 0 | 0 | 0 | 113.4 | D874 | D874-S877 PolarHBondContact OD1-N 3.47Å; D874-S877 WeakPolarHBondContact OD2-CB 3.38Å; D874-S877 PolarHBondContact OD2-N 2.88Å; D874-S877 VanDerWaalsContact OD2-N 3.13Å; D874-S877 PolarHBondContact OD2-OG 2.83Å |
| 878 | H | 75 | Confident | 71.6 | Confident | 88 Ų | 88 | 71.3 Ų | 71.3 | 41% | 0.407 | 39% | 0.385 | S | S | . | . | trans | -148.3 | 122.9 | -172.3 | -170.2 | 65.4 | 0 | 0 | 0 | 112.2 | G873 D874 E880 | G873-H878 CarbonylContact C-O 3.19Å; G873-H878 VanDerWaalsContact CA-O 3.28Å; G873-H878 WeakPolarHBondContact CA-O 3.36Å; D874-H878 PolarHBondContact N-O 3.49Å; D874-H878 PolarHBondContact OD1-N 2.96Å; D874-H878 VanDerWaalsContact OD1-O 3.09Å; H878-E880 IonicContact CD2-OE2 3.35Å; H878-E880 IonicContact CE1-OE2 3.22Å; H878-E880 PolarHBondContact CE1-OE2 3.18Å; H878-E880 IonicContact NE2-OE2 3.57Å; H878-E880 PolarHBondContact NE2-OE2 3.21Å | ||
| 879 | C | 79.6 | Confident | 70.4 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.034 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 107 | 155.1 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | H852 H854 C867 R872 | H852-C879 HydrophobicContact CB-CB 4.46Å; H852-C879 PolarHBondContact CE1-N 3.3Å; H852-C879 VanDerWaalsContact CE1-N 3.34Å; H852-C879 PolarHBondContact CE1-O 3.04Å; H852-C879 VanDerWaalsContact CE1-O 3.28Å; H852-C879 WeakPolarHBondContact ND1-CB 3.4Å; H852-C879 PolarHBondContact ND1-N 3.27Å; H852-C879 PolarHBondContact NE2-N 3.37Å; H854-C879 HydrophobicContact CB-CB 3.99Å; H854-C879 PolarHBondContact ND1-O 2.87Å; C867-C879 VanDerWaalsContact CA-SG 3.59Å; C867-C879 HydrophobicContact CB-CB 3.86Å; C867-C879 WeakPolarHBondContact CB-SG 3.42Å; C867-C879 WeakPolarHBondContact SG-CB 3.38Å; C867-C879 CovalentContact SG-SG 2.04Å; C867-C879 PolarHBondContact SG-SG 2.82Å; R872-C879 CarbonylContact O-C 3.55Å; R872-C879 VanDerWaalsContact O-CA 3.3Å; R872-C879 WeakPolarHBondContact O-CA 3.27Å |
| 880 | E | 76.2 | Confident | 69.6 | Low | 75 Ų | 75 | 75.9 Ų | 75.9 | 35% | 0.35 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 158 | 174.4 | 58.8 | -174 | -149.9 | 0 | 0 | 111.3 | Y871 R872 H878 D882 | Y871-E880 CarbonylContact C-O 3.49Å; Y871-E880 WeakPolarHBondContact CA-O 3.45Å; Y871-E880 WeakPolarHBondContact CB-O 3.24Å; R872-E880 HydrophobicContact CG-CG 3.82Å; R872-E880 IonicContact CZ-OE1 2.66Å; R872-E880 PolarHBondContact N-O 2.99Å; R872-E880 IonicContact NE-OE1 2.71Å; R872-E880 PolarHBondContact NE-OE1 3.46Å; R872-E880 IonicContact NH2-OE1 3.58Å; R872-E880 PolarHBondContact NH2-OE1 2.87Å; R872-E880 WeakPolarHBondContact O-CG 3.02Å; R872-E880 PolarHBondContact O-N 2.87Å; H878-E880 IonicContact CD2-OE2 3.35Å; H878-E880 IonicContact CE1-OE2 3.22Å; H878-E880 PolarHBondContact CE1-OE2 3.18Å; H878-E880 IonicContact NE2-OE2 3.57Å; H878-E880 PolarHBondContact NE2-OE2 3.21Å; E880-D882 PolarHBondContact O-N 2.89Å; E880-D882 VanDerWaalsContact O-N 3.11Å |
| 881 | N | 72.7 | Confident | 69.1 | Low | 114 Ų | 114 | 78 Ų | 78 | 61% | 0.61 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 118.6 | 174.4 | -68.4 | -68 | 0 | 0 | 0 | 109.4 | Y871 P883 | Y871-N881 WeakPolarHBondContact CE1-OD1 3.02Å; N881-P883 VanDerWaalsContact O-CD 3.27Å; N881-P883 WeakPolarHBondContact O-CD 3.4Å |
| 882 | D | 70.8 | Confident | 68 | Low | 34 Ų | 34 | 79.6 Ų | 79.6 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | trans | -74.2 | 110.9 | 171.8 | 175.4 | 23.9 | 0 | 0 | 0 | 108.2 | G870 R872 E880 C884 S885 | G870-D882 PolarHBondContact O-N 2.9Å; R872-D882 HydrophobicContact CB-CB 4.11Å; R872-D882 HydrophobicContact CG-CB 4.19Å; E880-D882 PolarHBondContact O-N 2.89Å; E880-D882 VanDerWaalsContact O-N 3.11Å; D882-C884 PolarHBondContact O-N 3.36Å; D882-C884 VanDerWaalsContact O-N 3.15Å; D882-C884 VanDerWaalsContact OD1-CB 3.31Å; D882-C884 WeakPolarHBondContact OD1-CB 3.26Å; D882-C884 PolarHBondContact OD1-N 3.05Å; D882-C884 PolarHBondContact OD1-SG 3.29Å; D882-C884 WeakPolarHBondContact OD2-CB 3.29Å; D882-S885 WeakPolarHBondContact O-CB 3.4Å; D882-S885 PolarHBondContact O-N 2.04Å; D882-S885 PolarHBondContact O-OG 2.91Å | ||
| 883 | P | 66 | Low | 67.7 | Low | 55 Ų | 55 | 76.1 Ų | 76.1 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -72.9 | -9.3 | -173.8 | 14 | -2.7 | 0 | 0 | 0 | 112.4 | N881 S885 K886 G896 | N881-P883 VanDerWaalsContact O-CD 3.27Å; N881-P883 WeakPolarHBondContact O-CD 3.4Å; P883-S885 PolarHBondContact O-N 3.31Å; P883-K886 PolarHBondContact O-N 3.49Å; P883-G896 VanDerWaalsContact CB-O 3.27Å; P883-G896 WeakPolarHBondContact CB-O 3.32Å; P883-G896 WeakPolarHBondContact CG-O 3.34Å |
| 884 | C | 69.8 | Low | 66.2 | Low | 34 Ų | 34 | 79.3 Ų | 79.3 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -62.5 | -20.7 | 166.5 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | D882 K886 C887 C893 | D882-C884 PolarHBondContact O-N 3.36Å; D882-C884 VanDerWaalsContact O-N 3.15Å; D882-C884 VanDerWaalsContact OD1-CB 3.31Å; D882-C884 WeakPolarHBondContact OD1-CB 3.26Å; D882-C884 PolarHBondContact OD1-N 3.05Å; D882-C884 PolarHBondContact OD1-SG 3.29Å; D882-C884 WeakPolarHBondContact OD2-CB 3.29Å; C884-K886 PolarHBondContact O-N 3.29Å; C884-K886 VanDerWaalsContact O-N 3.07Å; C884-C887 VanDerWaalsContact O-CB 3.28Å; C884-C887 WeakPolarHBondContact O-CB 2.89Å; C884-C887 PolarHBondContact O-N 2.79Å; C884-C887 VanDerWaalsContact O-N 3.1Å; C884-C887 PolarHBondContact O-SG 3.48Å; C884-C893 WeakPolarHBondContact CA-SG 3.45Å; C884-C893 HydrophobicContact CB-CB 3.28Å; C884-C893 WeakPolarHBondContact CB-SG 3.03Å; C884-C893 WeakPolarHBondContact SG-CB 3.44Å; C884-C893 CovalentContact SG-SG 2.01Å; C884-C893 PolarHBondContact SG-SG 3.4Å |
| 885 | S | 60.8 | Low | 65.3 | Low | 70 Ų | 70 | 82.9 Ų | 82.9 | 49% | 0.49 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -63.5 | -13 | 177.8 | 53.2 | 0 | 0 | 0 | 0 | 115.4 | D882 P883 C887 | D882-S885 WeakPolarHBondContact O-CB 3.4Å; D882-S885 PolarHBondContact O-N 2.04Å; D882-S885 PolarHBondContact O-OG 2.91Å; P883-S885 PolarHBondContact O-N 3.31Å; S885-C887 VanDerWaalsContact C-N 3.33Å |
| 886 | K | 65.3 | Low | 64.6 | Low | 172 Ų | 172 | 83.5 Ų | 83.5 | 75% | 0.748 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -91.3 | 1.6 | 178.1 | -64 | -177.6 | -178.2 | 175.2 | 0 | 113 | P883 C884 R888 | P883-K886 PolarHBondContact O-N 3.49Å; C884-K886 PolarHBondContact O-N 3.29Å; C884-K886 VanDerWaalsContact O-N 3.07Å; K886-R888 PolarHBondContact O-N 3.4Å |
| 887 | C | 62.8 | Low | 63.9 | Low | 33 Ų | 33 | 86.2 Ų | 86.2 | 22% | 0.223 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -72 | 126.7 | -177.6 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | C884 S885 E891 C898 | C884-C887 VanDerWaalsContact O-CB 3.28Å; C884-C887 WeakPolarHBondContact O-CB 2.89Å; C884-C887 PolarHBondContact O-N 2.79Å; C884-C887 VanDerWaalsContact O-N 3.1Å; C884-C887 PolarHBondContact O-SG 3.48Å; S885-C887 VanDerWaalsContact C-N 3.33Å; C887-E891 VanDerWaalsContact CA-OE2 3.31Å; C887-E891 WeakPolarHBondContact CA-OE2 3.26Å; C887-E891 HydrophobicContact CB-CB 3.83Å; C887-C898 WeakPolarHBondContact CA-SG 3.41Å; C887-C898 HydrophobicContact CB-CB 3.85Å; C887-C898 WeakPolarHBondContact CB-SG 3.04Å; C887-C898 PolarHBondContact N-SG 2.6Å; C887-C898 WeakPolarHBondContact SG-CA 3.2Å; C887-C898 WeakPolarHBondContact SG-CB 3.22Å; C887-C898 CovalentContact SG-SG 2.04Å; C887-C898 PolarHBondContact SG-SG 3.33Å |
| 888 | R | 57.8 | Low | 62.8 | Low | 195 Ų | 195 | 83.6 Ų | 83.6 | 74% | 0.736 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 173.8 | 179 | -55.5 | 179.8 | 175.9 | -165.2 | -3 | 110.9 | K886 N890 E891 | K886-R888 PolarHBondContact O-N 3.4Å; R888-N890 PolarHBondContact O-N 2.81Å; R888-E891 HydrophobicContact CB-CG 4.14Å; R888-E891 WeakPolarHBondContact CD-OE1 3.21Å; R888-E891 WeakPolarHBondContact CG-OE1 3.42Å; R888-E891 PolarHBondContact N-OE2 3.16Å; R888-E891 WeakPolarHBondContact O-CB 3.29Å; R888-E891 PolarHBondContact O-N 3.49Å |
| 889 | R | 49.6 | Very low | 61.8 | Low | 179 Ų | 179 | 83 Ų | 83 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 138.1 | 163.1 | -96.9 | -168.8 | 173.7 | 117.5 | -0.1 | 109.2 | E891 D919 | R889-E891 VanDerWaalsContact C-N 3.33Å; R889-D919 IonicContact CZ-OD1 3.65Å; R889-D919 IonicContact CZ-OD2 3.08Å; R889-D919 IonicContact NE-OD1 3.68Å; R889-D919 PolarHBondContact NE-OD1 3.23Å; R889-D919 IonicContact NE-OD2 2.72Å; R889-D919 VanDerWaalsContact NH2-CG 3.28Å; R889-D919 IonicContact NH2-OD1 2.75Å; R889-D919 PolarHBondContact NH2-OD1 3.08Å; R889-D919 IonicContact NH2-OD2 3.28Å; R889-D919 PolarHBondContact NH2-OD2 3.29Å |
| 890 | N | 49.5 | Very low | 60.5 | Low | 60 Ų | 60 | 86.1 Ų | 86.1 | 32% | 0.321 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 33.6 | -170.3 | -52.9 | 2.4 | 0 | 0 | 0 | 113.8 | R888 A900 S901 | R888-N890 PolarHBondContact O-N 2.81Å; N890-A900 CarbonylContact O-C 3.37Å; N890-A900 VanDerWaalsContact O-CA 3.31Å; N890-A900 WeakPolarHBondContact O-CA 3.45Å; N890-S901 WeakPolarHBondContact O-CB 3.11Å; N890-S901 PolarHBondContact O-N 3.16Å |
| 891 | E | 53.8 | Low | 59.2 | Low | 60 Ų | 60 | 84.3 Ų | 84.3 | 28% | 0.28 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.1 | 165.6 | -66.4 | 174.4 | -172 | 0 | 0 | 111.7 | C887 R888 R889 C898 I899 | C887-E891 VanDerWaalsContact CA-OE2 3.31Å; C887-E891 WeakPolarHBondContact CA-OE2 3.26Å; C887-E891 HydrophobicContact CB-CB 3.83Å; R888-E891 HydrophobicContact CB-CG 4.14Å; R888-E891 WeakPolarHBondContact CD-OE1 3.21Å; R888-E891 WeakPolarHBondContact CG-OE1 3.42Å; R888-E891 PolarHBondContact N-OE2 3.16Å; R888-E891 WeakPolarHBondContact O-CB 3.29Å; R888-E891 PolarHBondContact O-N 3.49Å; R889-E891 VanDerWaalsContact C-N 3.33Å; E891-C898 HydrophobicContact CB-CB 4.42Å; E891-C898 WeakPolarHBondContact OE2-CB 2.97Å; E891-I899 CarbonylContact C-O 3.21Å; E891-I899 WeakPolarHBondContact CA-O 3.01Å |
| 892 | I | 56.2 | Low | 58.3 | Low | 100 Ų | 100 | 82.3 Ų | 82.3 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 141.4 | 168.4 | -69.8 | 167.1 | 0 | 0 | 0 | 108 | I899 | I892-I899 PolarHBondContact N-O 2.98Å; I892-I899 PolarHBondContact O-N 3.22Å |
| 893 | C | 64.8 | Low | 57.3 | Low | 39 Ų | 39 | 84.3 Ų | 84.3 | 26% | 0.264 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.2 | 168.1 | -168.1 | 0 | 0 | 0 | 0 | 112 | C884 I897 | C884-C893 WeakPolarHBondContact CA-SG 3.45Å; C884-C893 HydrophobicContact CB-CB 3.28Å; C884-C893 WeakPolarHBondContact CB-SG 3.03Å; C884-C893 WeakPolarHBondContact SG-CB 3.44Å; C884-C893 CovalentContact SG-SG 2.01Å; C884-C893 PolarHBondContact SG-SG 3.4Å; C893-I897 WeakPolarHBondContact CA-O 3.5Å |
| 894 | E | 51.2 | Low | 56.7 | Low | 118 Ų | 118 | 85.6 Ų | 85.6 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.3 | 169.1 | -172.9 | 178.2 | -135.9 | 0 | 0 | 108.8 | G896 I897 I899 | E894-G896 PolarHBondContact O-N 3.15Å; E894-I897 PolarHBondContact N-O 2.81Å; E894-I897 PolarHBondContact O-N 2.89Å; E894-I899 HydrophobicContact CB-CD1 3.65Å; E894-I899 HydrophobicContact CB-CG1 4.47Å; E894-I899 VanDerWaalsContact OE2-CD1 3.32Å; E894-I899 WeakPolarHBondContact OE2-CD1 3.5Å |
| 895 | N | 54 | Low | 56.2 | Low | 155 Ų | 155 | 88.5 Ų | 88.5 | 83% | 0.829 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 25.6 | 179 | -67.8 | -48.9 | 0 | 0 | 0 | 115.9 | ||
| 896 | G | 60.8 | Low | 56.2 | Low | 13 Ų | 13 | 86.4 Ų | 86.4 | 13% | 0.134 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 17.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P883 E894 | P883-G896 VanDerWaalsContact CB-O 3.27Å; P883-G896 WeakPolarHBondContact CB-O 3.32Å; P883-G896 WeakPolarHBondContact CG-O 3.34Å; E894-G896 PolarHBondContact O-N 3.15Å |
| 897 | I | 66.9 | Low | 55.7 | Low | 121 Ų | 121 | 84.2 Ų | 84.2 | 62% | 0.621 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.2 | 171.8 | -62.5 | 174.2 | 0 | 0 | 0 | 109.1 | C893 E894 I899 | C893-I897 WeakPolarHBondContact CA-O 3.5Å; E894-I897 PolarHBondContact N-O 2.81Å; E894-I897 PolarHBondContact O-N 2.89Å; I897-I899 PolarHBondContact O-N 3.17Å |
| 898 | C | 54.3 | Low | 55.7 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 24% | 0.243 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 117.5 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 111 | C887 E891 | C887-C898 WeakPolarHBondContact CA-SG 3.41Å; C887-C898 HydrophobicContact CB-CB 3.85Å; C887-C898 WeakPolarHBondContact CB-SG 3.04Å; C887-C898 PolarHBondContact N-SG 2.6Å; C887-C898 WeakPolarHBondContact SG-CA 3.2Å; C887-C898 WeakPolarHBondContact SG-CB 3.22Å; C887-C898 CovalentContact SG-SG 2.04Å; C887-C898 PolarHBondContact SG-SG 3.33Å; E891-C898 HydrophobicContact CB-CB 4.42Å; E891-C898 WeakPolarHBondContact OE2-CB 2.97Å |
| 899 | I | 54.3 | Low | 55.8 | Low | 74 Ų | 74 | 77.9 Ų | 77.9 | 38% | 0.379 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.7 | 177.1 | -48.2 | -179.5 | 0 | 0 | 0 | 107.3 | E891 I892 E894 I897 S901 | E891-I899 CarbonylContact C-O 3.21Å; E891-I899 WeakPolarHBondContact CA-O 3.01Å; I892-I899 PolarHBondContact N-O 2.98Å; I892-I899 PolarHBondContact O-N 3.22Å; E894-I899 HydrophobicContact CB-CD1 3.65Å; E894-I899 HydrophobicContact CB-CG1 4.47Å; E894-I899 VanDerWaalsContact OE2-CD1 3.32Å; E894-I899 WeakPolarHBondContact OE2-CD1 3.5Å; I897-I899 PolarHBondContact O-N 3.17Å; I899-S901 PolarHBondContact O-N 2.92Å; I899-S901 VanDerWaalsContact O-N 3.08Å |
| 900 | A | 53.4 | Low | 56.4 | Low | 71 Ų | 71 | 77.3 Ų | 77.3 | 59% | 0.587 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 118.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | N890 G902 | N890-A900 CarbonylContact O-C 3.37Å; N890-A900 VanDerWaalsContact O-CA 3.31Å; N890-A900 WeakPolarHBondContact O-CA 3.45Å; A900-G902 PolarHBondContact O-N 2.82Å |
| 901 | S | 49.2 | Very low | 57.6 | Low | 37 Ų | 37 | 76.2 Ų | 76.2 | 26% | 0.259 | 45% | 0.446 | S | S | . | . | trans | -52.7 | -33 | 172.3 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | N890 I899 V903 | N890-S901 WeakPolarHBondContact O-CB 3.11Å; N890-S901 PolarHBondContact O-N 3.16Å; I899-S901 PolarHBondContact O-N 2.92Å; I899-S901 VanDerWaalsContact O-N 3.08Å; S901-V903 PolarHBondContact O-N 2.85Å | ||
| 902 | G | 53.8 | Low | 58.4 | Low | 73 Ų | 73 | 73.9 Ų | 73.9 | 75% | 0.753 | 44% | 0.438 | S | S | * | . | trans | 74.3 | -27.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A900 | A900-G902 PolarHBondContact O-N 2.82Š| ||
| 903 | V | 48.9 | Very low | 59 | Low | 75 Ų | 75 | 75 Ų | 75 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -93.6 | 131.4 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | S901 | S901-V903 PolarHBondContact O-N 2.85Š|
| 904 | D | 53.8 | Low | 59.4 | Low | 82 Ų | 82 | 76.5 Ų | 76.5 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | trans | -80.2 | 123.5 | 164.3 | -176.1 | -22.6 | 0 | 0 | 0 | 108.6 | C906 E907 | D904-C906 PolarHBondContact O-N 3.43Å; D904-C906 VanDerWaalsContact O-N 3.11Å; D904-C906 PolarHBondContact OD1-N 2.83Å; D904-E907 HydrophobicContact CB-CB 4.46Å; D904-E907 WeakPolarHBondContact O-CB 3.42Å; D904-E907 PolarHBondContact O-N 3.48Å; D904-E907 VanDerWaalsContact O-N 3.08Å | ||
| 905 | L | 59.4 | Low | 60.8 | Low | 95 Ų | 95 | 71.8 Ų | 71.8 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.1 | -176.8 | -75 | 78.2 | 0 | 0 | 0 | 112.7 | D919 G920 | L905-D919 WeakPolarHBondContact CD2-O 3.1Å; L905-G920 VanDerWaalsContact O-CA 3.23Å; L905-G920 WeakPolarHBondContact O-CA 3.47Å |
| 906 | C | 60.9 | Low | 62 | Low | 27 Ų | 27 | 68 Ų | 68 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.6 | 177.5 | -78.6 | 0 | 0 | 0 | 0 | 115 | D904 G908 V909 C917 G920 | D904-C906 PolarHBondContact O-N 3.43Å; D904-C906 VanDerWaalsContact O-N 3.11Å; D904-C906 PolarHBondContact OD1-N 2.83Å; C906-G908 PolarHBondContact O-N 2.9Å; C906-V909 PolarHBondContact O-N 3.22Å; C906-C917 WeakPolarHBondContact CA-SG 3.49Å; C906-C917 HydrophobicContact CB-CB 3.67Å; C906-C917 WeakPolarHBondContact CB-SG 3.46Å; C906-C917 WeakPolarHBondContact SG-CB 3.44Å; C906-C917 CovalentContact SG-SG 2.04Å; C906-C917 PolarHBondContact SG-SG 3.1Å; C906-G920 PolarHBondContact SG-N 3.03Å; C906-G920 VanDerWaalsContact SG-N 3.43Å |
| 907 | E | 55.1 | Low | 62.8 | Low | 126 Ų | 126 | 68.8 Ų | 68.8 | 59% | 0.589 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 99.9 | -175.6 | -169.1 | 178.1 | -139.4 | 0 | 0 | 112.9 | D904 N1887 | D904-E907 HydrophobicContact CB-CB 4.46Å; D904-E907 WeakPolarHBondContact O-CB 3.42Å; D904-E907 PolarHBondContact O-N 3.48Å; D904-E907 VanDerWaalsContact O-N 3.08Å; E907-N1887 PolarHBondContact OE2-ND2 2.92Å |
| 908 | G | 61.8 | Low | 62.8 | Low | 43 Ų | 43 | 67.5 Ų | 67.5 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | 1.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C906 Q910 K1888 | C906-G908 PolarHBondContact O-N 2.9Å; G908-Q910 PolarHBondContact O-N 2.82Å; G908-K1888 WeakPolarHBondContact O-CE 3.16Å; G908-K1888 PolarHBondContact O-NZ 3.3Å |
| 909 | V | 60.7 | Low | 63.1 | Low | 52 Ų | 52 | 69.6 Ų | 69.6 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | trans | -74.9 | 111 | 169.2 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | C906 C917 C922 | C906-V909 PolarHBondContact O-N 3.22Å; V909-C917 HydrophobicContact CB-CB 4.15Å; V909-C917 HydrophobicContact CG1-CB 3.95Å; V909-C922 WeakPolarHBondContact CG1-SG 3.37Å | ||
| 910 | Q | 61 | Low | 63.7 | Low | 167 Ų | 167 | 67.7 Ų | 67.7 | 78% | 0.78 | 40% | 0.403 | S | S | * | . | trans | -98.8 | 131.2 | 173.5 | -77.2 | -172.2 | -46.5 | 0 | 0 | 109.8 | G908 C922 | G908-Q910 PolarHBondContact O-N 2.82Å; Q910-C922 PolarHBondContact O-SG 2.94Å | ||
| 911 | C | 76.3 | Confident | 64.2 | Low | 36 Ų | 36 | 66.9 Ų | 66.9 | 24% | 0.243 | 40% | 0.397 | C | S | . | . | trans | -112.2 | 156.5 | -178.7 | -51.7 | 0 | 0 | 0 | 0 | 110.2 | A915 F916 C922 P932 | C911-A915 HydrophobicContact CB-CB 3.66Å; C911-F916 VanDerWaalsContact SG-C 3.59Å; C911-C922 WeakPolarHBondContact CA-SG 3.4Å; C911-C922 HydrophobicContact CB-CB 3.72Å; C911-C922 WeakPolarHBondContact CB-SG 3.38Å; C911-C922 WeakPolarHBondContact SG-CA 3.36Å; C911-C922 WeakPolarHBondContact SG-CB 3.4Å; C911-C922 CovalentContact SG-SG 2.04Å; C911-C922 PolarHBondContact SG-SG 2.83Å; C911-P932 CarbonylContact C-O 3.47Å; C911-P932 WeakPolarHBondContact CA-O 3.42Å; C911-P932 WeakPolarHBondContact CB-O 3.03Å | ||
| 912 | G | 70.8 | Confident | 65.6 | Low | 12 Ų | 12 | 66.1 Ų | 66.1 | 12% | 0.124 | 39% | 0.391 | C | S | . | . | trans | -63.7 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q914 A915 P932 V933 V934 | G912-Q914 PolarHBondContact O-N 3.33Å; G912-A915 PolarHBondContact O-N 2.9Å; G912-P932 PolarHBondContact N-O 3.41Å; G912-V933 WeakPolarHBondContact CA-O 3.42Å; G912-V933 PolarHBondContact N-O 3.45Å; G912-V934 WeakPolarHBondContact CA-O 3.41Å | ||
| 913 | E | 67 | Low | 66.7 | Low | 124 Ų | 124 | 64.6 Ų | 64.6 | 58% | 0.579 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -52.8 | 136.6 | 170.6 | -81.9 | -165.3 | 131.4 | 0 | 0 | 110 | A915 K935 C936 | E913-A915 VanDerWaalsContact C-N 3.28Å; E913-A915 PolarHBondContact O-N 2.85Å; E913-K935 HydrophobicContact CB-CD 4.29Å; E913-K935 HydrophobicContact CB-CG 4.23Å; E913-K935 WeakPolarHBondContact OE2-CE 3.28Å; E913-K935 IonicContact OE2-NZ 2.82Å; E913-K935 PolarHBondContact OE2-NZ 3.5Å; E913-C936 PolarHBondContact O-N 2.81Å |
| 914 | Q | 74.9 | Confident | 67.9 | Low | 69 Ų | 69 | 62.5 Ų | 62.5 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 26 | 177.6 | -60.6 | 162.2 | -15.3 | 0 | 0 | 114.4 | G912 T925 Y928 C936 | G912-Q914 PolarHBondContact O-N 3.33Å; Q914-T925 WeakPolarHBondContact O-CB 3.27Å; Q914-T925 PolarHBondContact O-N 2.93Å; Q914-T925 PolarHBondContact O-OG1 2.68Å; Q914-Y928 HydrophobicContact CB-CD1 3.35Å; Q914-Y928 HydrophobicContact CB-CD2 4.32Å; Q914-Y928 HydrophobicContact CB-CE1 3.9Å; Q914-Y928 HydrophobicContact CB-CG 3.62Å; Q914-Y928 HydrophobicContact CG-CD1 3.5Å; Q914-Y928 HydrophobicContact CG-CE1 3.48Å; Q914-Y928 VanDerWaalsContact CG-CE1 3.48Å; Q914-Y928 HydrophobicContact CG-CG 4.18Å; Q914-Y928 VanDerWaalsContact NE2-CE1 3.27Å; Q914-C936 HydrophobicContact CB-CB 4.03Å; Q914-C936 WeakPolarHBondContact O-CB 3.28Å; Q914-C936 PolarHBondContact OE1-O 3.22Å |
| 915 | A | 79.3 | Confident | 69.1 | Low | 19 Ų | 19 | 60.9 Ų | 60.9 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 158.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C911 G912 E913 V923 P932 | C911-A915 HydrophobicContact CB-CB 3.66Å; G912-A915 PolarHBondContact O-N 2.9Å; E913-A915 VanDerWaalsContact C-N 3.28Å; E913-A915 PolarHBondContact O-N 2.85Å; A915-V923 CarbonylContact C-O 3.46Å; A915-V923 VanDerWaalsContact CA-O 3.26Å; A915-V923 WeakPolarHBondContact CA-O 3.49Å; A915-V923 VanDerWaalsContact CB-O 3.31Å; A915-V923 WeakPolarHBondContact CB-O 3.4Å; A915-P932 HydrophobicContact CB-CB 3.76Å; A915-P932 WeakPolarHBondContact CB-O 3.44Å |
| 916 | F | 80.1 | Confident | 69.3 | Low | 77 Ų | 77 | 61 Ų | 61 | 34% | 0.338 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 160.6 | 175.2 | 73.1 | -74.6 | 0 | 0 | 0 | 110.2 | C911 Q918 V923 C924 | C911-F916 VanDerWaalsContact SG-C 3.59Å; F916-Q918 HydrophobicContact CE2-CB 4.05Å; F916-V923 HydrophobicContact CD1-CG2 3.98Å; F916-V923 HydrophobicContact CD2-CG2 4.34Å; F916-V923 HydrophobicContact CE1-CG2 3.57Å; F916-V923 HydrophobicContact CE2-CG2 3.96Å; F916-V923 HydrophobicContact CG-CG2 4.35Å; F916-V923 HydrophobicContact CZ-CG2 3.56Å; F916-V923 PolarHBondContact N-O 2.94Å; F916-V923 WeakPolarHBondContact O-CG2 3.45Å; F916-V923 PolarHBondContact O-N 3.45Å; F916-V923 VanDerWaalsContact O-O 3.07Å; F916-C924 WeakPolarHBondContact CE1-O 3.49Å |
| 917 | C | 76.1 | Confident | 68.9 | Low | 29 Ų | 29 | 61.1 Ų | 61.1 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 136.6 | 174.4 | -180 | 0 | 0 | 0 | 0 | 111.4 | C906 V909 A921 | C906-C917 WeakPolarHBondContact CA-SG 3.49Å; C906-C917 HydrophobicContact CB-CB 3.67Å; C906-C917 WeakPolarHBondContact CB-SG 3.46Å; C906-C917 WeakPolarHBondContact SG-CB 3.44Å; C906-C917 CovalentContact SG-SG 2.04Å; C906-C917 PolarHBondContact SG-SG 3.1Å; V909-C917 HydrophobicContact CB-CB 4.15Å; V909-C917 HydrophobicContact CG1-CB 3.95Å; C917-A921 CarbonylContact C-O 3.53Å; C917-A921 WeakPolarHBondContact CA-O 3.41Å |
| 918 | Q | 67.4 | Low | 69.7 | Low | 94 Ų | 94 | 57.8 Ų | 57.8 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.1 | 167 | -173.1 | 176.4 | -59.4 | 0 | 0 | 109.9 | F916 G920 A921 V923 | F916-Q918 HydrophobicContact CE2-CB 4.05Å; Q918-G920 PolarHBondContact O-N 3.35Å; Q918-A921 PolarHBondContact N-O 3.48Å; Q918-A921 PolarHBondContact O-N 3.07Å; Q918-V923 HydrophobicContact CB-CG2 3.93Å |
| 919 | D | 61 | Low | 69.7 | Low | 80 Ų | 80 | 59.5 Ų | 59.5 | 43% | 0.428 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 28.3 | 177.1 | -54.7 | -54.7 | 0 | 0 | 0 | 115.1 | R889 L905 | R889-D919 IonicContact CZ-OD1 3.65Å; R889-D919 IonicContact CZ-OD2 3.08Å; R889-D919 IonicContact NE-OD1 3.68Å; R889-D919 PolarHBondContact NE-OD1 3.23Å; R889-D919 IonicContact NE-OD2 2.72Å; R889-D919 VanDerWaalsContact NH2-CG 3.28Å; R889-D919 IonicContact NH2-OD1 2.75Å; R889-D919 PolarHBondContact NH2-OD1 3.08Å; R889-D919 IonicContact NH2-OD2 3.28Å; R889-D919 PolarHBondContact NH2-OD2 3.29Å; L905-D919 WeakPolarHBondContact CD2-O 3.1Å |
| 920 | G | 66.4 | Low | 69.9 | Low | 33 Ų | 33 | 59 Ų | 59 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | 3.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | L905 C906 Q918 | L905-G920 VanDerWaalsContact O-CA 3.23Å; L905-G920 WeakPolarHBondContact O-CA 3.47Å; C906-G920 PolarHBondContact SG-N 3.03Å; C906-G920 VanDerWaalsContact SG-N 3.43Å; Q918-G920 PolarHBondContact O-N 3.35Å |
| 921 | A | 64 | Low | 70.1 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C917 Q918 | C917-A921 CarbonylContact C-O 3.53Å; C917-A921 WeakPolarHBondContact CA-O 3.41Å; Q918-A921 PolarHBondContact N-O 3.48Å; Q918-A921 PolarHBondContact O-N 3.07Å |
| 922 | C | 80.1 | Confident | 70.2 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 14% | 0.142 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.7 | 170.9 | -69.6 | 0 | 0 | 0 | 0 | 111.1 | V909 Q910 C911 P932 V933 | V909-C922 WeakPolarHBondContact CG1-SG 3.37Å; Q910-C922 PolarHBondContact O-SG 2.94Å; C911-C922 WeakPolarHBondContact CA-SG 3.4Å; C911-C922 HydrophobicContact CB-CB 3.72Å; C911-C922 WeakPolarHBondContact CB-SG 3.38Å; C911-C922 WeakPolarHBondContact SG-CA 3.36Å; C911-C922 WeakPolarHBondContact SG-CB 3.4Å; C911-C922 CovalentContact SG-SG 2.04Å; C911-C922 PolarHBondContact SG-SG 2.83Å; C922-P932 HydrophobicContact CB-CB 3.97Å; C922-P932 HydrophobicContact CB-CG 4.37Å; C922-P932 WeakPolarHBondContact CB-O 3.14Å; C922-P932 VanDerWaalsContact O-CG 3.29Å; C922-P932 WeakPolarHBondContact O-CG 3.46Å; C922-V933 HydrophobicContact CB-CG2 4.47Å |
| 923 | V | 76.1 | Confident | 70.5 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 25% | 0.248 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144 | 175 | -74 | 0 | 0 | 0 | 0 | 108.7 | A915 F916 Q918 T925 | A915-V923 CarbonylContact C-O 3.46Å; A915-V923 VanDerWaalsContact CA-O 3.26Å; A915-V923 WeakPolarHBondContact CA-O 3.49Å; A915-V923 VanDerWaalsContact CB-O 3.31Å; A915-V923 WeakPolarHBondContact CB-O 3.4Å; F916-V923 HydrophobicContact CD1-CG2 3.98Å; F916-V923 HydrophobicContact CD2-CG2 4.34Å; F916-V923 HydrophobicContact CE1-CG2 3.57Å; F916-V923 HydrophobicContact CE2-CG2 3.96Å; F916-V923 HydrophobicContact CG-CG2 4.35Å; F916-V923 HydrophobicContact CZ-CG2 3.56Å; F916-V923 PolarHBondContact N-O 2.94Å; F916-V923 WeakPolarHBondContact O-CG2 3.45Å; F916-V923 PolarHBondContact O-N 3.45Å; F916-V923 VanDerWaalsContact O-O 3.07Å; Q918-V923 HydrophobicContact CB-CG2 3.93Å; V923-T925 PolarHBondContact O-N 3.02Å |
| 924 | C | 74.5 | Confident | 70.9 | Confident | 31 Ų | 31 | 58.2 Ų | 58.2 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 142.1 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | F916 Y928 C936 | F916-C924 WeakPolarHBondContact CE1-O 3.49Å; C924-Y928 WeakPolarHBondContact CB-O 3.38Å; C924-C936 VanDerWaalsContact CA-SG 3.5Å; C924-C936 HydrophobicContact CB-CB 3.85Å; C924-C936 WeakPolarHBondContact CB-SG 3.39Å; C924-C936 WeakPolarHBondContact SG-CB 3.25Å; C924-C936 CovalentContact SG-SG 2.04Å; C924-C936 PolarHBondContact SG-SG 3.17Å |
| 925 | T | 78.9 | Confident | 70.3 | Confident | 48 Ų | 48 | 58 Ų | 58 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -57 | 141.2 | 171.4 | -61.3 | 0 | 0 | 0 | 0 | 108.8 | Q914 V923 G927 Y928 | Q914-T925 WeakPolarHBondContact O-CB 3.27Å; Q914-T925 PolarHBondContact O-N 2.93Å; Q914-T925 PolarHBondContact O-OG1 2.68Å; V923-T925 PolarHBondContact O-N 3.02Å; T925-G927 PolarHBondContact O-N 3.19Å; T925-Y928 HydrophobicContact CG2-CD2 4.01Å; T925-Y928 HydrophobicContact CG2-CE2 4.27Å; T925-Y928 VanDerWaalsContact O-CB 3.29Å; T925-Y928 WeakPolarHBondContact O-CB 3.46Å; T925-Y928 WeakPolarHBondContact O-CD2 3.2Å; T925-Y928 PolarHBondContact O-N 3.45Å |
| 926 | P | 62.5 | Low | 70.3 | Confident | 97 Ų | 97 | 57 Ų | 57 | 63% | 0.63 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 129.1 | -179.4 | -25.6 | 35.4 | 0 | 0 | 0 | 111.3 | ||
| 927 | G | 53 | Low | 69.6 | Low | 29 Ų | 29 | 60.2 Ų | 60.2 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 16.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T925 E939 | T925-G927 PolarHBondContact O-N 3.19Å; G927-E939 VanDerWaalsContact C-CB 3.47Å; G927-E939 VanDerWaalsContact C-OE2 3.28Å; G927-E939 WeakPolarHBondContact CA-OE2 3.36Å; G927-E939 PolarHBondContact N-OE2 2.59Å; G927-E939 VanDerWaalsContact N-OE2 3.08Å; G927-E939 WeakPolarHBondContact O-CB 3.41Å; G927-E939 PolarHBondContact O-N 3.07Å |
| 928 | Y | 72.5 | Confident | 68.3 | Low | 56 Ų | 56 | 64.8 Ų | 64.8 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 145.5 | 179 | -61.9 | -90.6 | 0 | 0 | 0 | 112.3 | Q914 C924 T925 Y937 E938 E939 | Q914-Y928 HydrophobicContact CB-CD1 3.35Å; Q914-Y928 HydrophobicContact CB-CD2 4.32Å; Q914-Y928 HydrophobicContact CB-CE1 3.9Å; Q914-Y928 HydrophobicContact CB-CG 3.62Å; Q914-Y928 HydrophobicContact CG-CD1 3.5Å; Q914-Y928 HydrophobicContact CG-CE1 3.48Å; Q914-Y928 VanDerWaalsContact CG-CE1 3.48Å; Q914-Y928 HydrophobicContact CG-CG 4.18Å; Q914-Y928 VanDerWaalsContact NE2-CE1 3.27Å; C924-Y928 WeakPolarHBondContact CB-O 3.38Å; T925-Y928 HydrophobicContact CG2-CD2 4.01Å; T925-Y928 HydrophobicContact CG2-CE2 4.27Å; T925-Y928 VanDerWaalsContact O-CB 3.29Å; T925-Y928 WeakPolarHBondContact O-CB 3.46Å; T925-Y928 WeakPolarHBondContact O-CD2 3.2Å; T925-Y928 PolarHBondContact O-N 3.45Å; Y928-Y937 CarbonylContact C-O 3.48Å; Y928-Y937 VanDerWaalsContact CA-O 3.23Å; Y928-Y937 WeakPolarHBondContact CA-O 3.45Å; Y928-E938 HydrophobicContact CD1-CB 4.01Å; Y928-E938 HydrophobicContact CD1-CG 4.34Å; Y928-E938 HydrophobicContact CE1-CB 3.66Å; Y928-E938 HydrophobicContact CE1-CG 3.69Å; Y928-E938 PolarHBondContact OH-OE1 3.07Å; Y928-E939 PolarHBondContact N-OE2 3.3Å |
| 929 | T | 60.8 | Low | 67.5 | Low | 79 Ų | 79 | 64.1 Ų | 64.1 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 140.3 | -172.9 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | Y937 E939 | T929-Y937 PolarHBondContact N-O 3.32Å; T929-Y937 PolarHBondContact O-N 2.04Å; T929-E939 HydrophobicContact CG2-CG 3.63Å |
| 930 | G | 65.6 | Low | 66.8 | Low | 43 Ų | 43 | 70.3 Ų | 70.3 | 44% | 0.443 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.9 | -155.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P932 | G930-P932 WeakPolarHBondContact O-CD 3.01Å |
| 931 | D | 65.7 | Low | 66.1 | Low | 80 Ų | 80 | 73 Ų | 73 | 43% | 0.428 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.4 | 172.8 | 179.7 | -41.3 | 0 | 0 | 0 | 108.5 | V933 V934 K935 | D931-V933 PolarHBondContact O-N 3.27Å; D931-V933 WeakPolarHBondContact OD1-CA 3.49Å; D931-V933 WeakPolarHBondContact OD1-CB 3.34Å; D931-V933 PolarHBondContact OD1-N 3.06Å; D931-V934 HydrophobicContact CB-CB 4.09Å; D931-V934 HydrophobicContact CB-CG2 4.42Å; D931-V934 PolarHBondContact O-N 2.99Å; D931-V934 PolarHBondContact OD1-N 2.84Å; D931-K935 PolarHBondContact N-O 2.04Å; D931-K935 CarbonylContact O-C 3.58Å; D931-K935 WeakPolarHBondContact O-CA 3.23Å; D931-K935 PolarHBondContact O-N 2.76Å; D931-K935 VanDerWaalsContact O-O 3.09Å |
| 932 | P | 76.9 | Confident | 65.9 | Low | 34 Ų | 34 | 74 Ų | 74 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2.9 | -174.6 | 32.8 | -37.1 | 0 | 0 | 0 | 114.2 | C911 G912 A915 C922 G930 C936 | C911-P932 CarbonylContact C-O 3.47Å; C911-P932 WeakPolarHBondContact CA-O 3.42Å; C911-P932 WeakPolarHBondContact CB-O 3.03Å; G912-P932 PolarHBondContact N-O 3.41Å; A915-P932 HydrophobicContact CB-CB 3.76Å; A915-P932 WeakPolarHBondContact CB-O 3.44Å; C922-P932 HydrophobicContact CB-CB 3.97Å; C922-P932 HydrophobicContact CB-CG 4.37Å; C922-P932 WeakPolarHBondContact CB-O 3.14Å; C922-P932 VanDerWaalsContact O-CG 3.29Å; C922-P932 WeakPolarHBondContact O-CG 3.46Å; G930-P932 WeakPolarHBondContact O-CD 3.01Å; P932-C936 VanDerWaalsContact CA-SG 3.58Å |
| 933 | V | 77.1 | Confident | 64.9 | Low | 98 Ų | 98 | 74.1 Ų | 74.1 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -37.3 | 171.5 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | G912 C922 D931 | G912-V933 WeakPolarHBondContact CA-O 3.42Å; G912-V933 PolarHBondContact N-O 3.45Å; C922-V933 HydrophobicContact CB-CG2 4.47Å; D931-V933 PolarHBondContact O-N 3.27Å; D931-V933 WeakPolarHBondContact OD1-CA 3.49Å; D931-V933 WeakPolarHBondContact OD1-CB 3.34Å; D931-V933 PolarHBondContact OD1-N 3.06Å |
| 934 | V | 75.3 | Confident | 63.8 | Low | 110 Ų | 110 | 74.3 Ų | 74.3 | 67% | 0.667 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -63.3 | 179.5 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | G912 D931 | G912-V934 WeakPolarHBondContact CA-O 3.41Å; D931-V934 HydrophobicContact CB-CB 4.09Å; D931-V934 HydrophobicContact CB-CG2 4.42Å; D931-V934 PolarHBondContact O-N 2.99Å; D931-V934 PolarHBondContact OD1-N 2.84Å |
| 935 | K | 62.6 | Low | 62.7 | Low | 63 Ų | 63 | 80.4 Ų | 80.4 | 27% | 0.274 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 127.7 | -179.9 | 177.2 | 156.2 | -178.2 | 155 | 0 | 111.3 | E913 D931 Y937 | E913-K935 HydrophobicContact CB-CD 4.29Å; E913-K935 HydrophobicContact CB-CG 4.23Å; E913-K935 WeakPolarHBondContact OE2-CE 3.28Å; E913-K935 IonicContact OE2-NZ 2.82Å; E913-K935 PolarHBondContact OE2-NZ 3.5Å; D931-K935 PolarHBondContact N-O 2.04Å; D931-K935 CarbonylContact O-C 3.58Å; D931-K935 WeakPolarHBondContact O-CA 3.23Å; D931-K935 PolarHBondContact O-N 2.76Å; D931-K935 VanDerWaalsContact O-O 3.09Å; K935-Y937 HydrophobicContact CD-CE1 3.99Å; K935-Y937 HydrophobicContact CG-CE1 4.16Å; K935-Y937 HydrophobicContact CG-CE2 4.17Å |
| 936 | C | 79.9 | Confident | 61.8 | Low | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 160.9 | 159 | -53.9 | 0 | 0 | 0 | 0 | 110.5 | E913 Q914 C924 P932 | E913-C936 PolarHBondContact O-N 2.81Å; Q914-C936 HydrophobicContact CB-CB 4.03Å; Q914-C936 WeakPolarHBondContact O-CB 3.28Å; Q914-C936 PolarHBondContact OE1-O 3.22Å; C924-C936 VanDerWaalsContact CA-SG 3.5Å; C924-C936 HydrophobicContact CB-CB 3.85Å; C924-C936 WeakPolarHBondContact CB-SG 3.39Å; C924-C936 WeakPolarHBondContact SG-CB 3.25Å; C924-C936 CovalentContact SG-SG 2.04Å; C924-C936 PolarHBondContact SG-SG 3.17Å; P932-C936 VanDerWaalsContact CA-SG 3.58Å |
| 937 | Y | 64.4 | Low | 61.9 | Low | 143 Ų | 143 | 85.9 Ų | 85.9 | 56% | 0.561 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.2 | 179 | -58.3 | -92 | 0 | 0 | 0 | 108.8 | Y928 T929 K935 E939 | Y928-Y937 CarbonylContact C-O 3.48Å; Y928-Y937 VanDerWaalsContact CA-O 3.23Å; Y928-Y937 WeakPolarHBondContact CA-O 3.45Å; T929-Y937 PolarHBondContact N-O 3.32Å; T929-Y937 PolarHBondContact O-N 2.04Å; K935-Y937 HydrophobicContact CD-CE1 3.99Å; K935-Y937 HydrophobicContact CG-CE1 4.16Å; K935-Y937 HydrophobicContact CG-CE2 4.17Å; Y937-E939 PolarHBondContact O-N 3.1Å; Y937-E939 VanDerWaalsContact O-N 3.16Å |
| 938 | E | 49.6 | Very low | 62.9 | Low | 126 Ų | 126 | 86.3 Ų | 86.3 | 59% | 0.589 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 121.5 | -177.4 | -156.8 | 162.1 | -108 | 0 | 0 | 111.1 | Y928 R940 | Y928-E938 HydrophobicContact CD1-CB 4.01Å; Y928-E938 HydrophobicContact CD1-CG 4.34Å; Y928-E938 HydrophobicContact CE1-CB 3.66Å; Y928-E938 HydrophobicContact CE1-CG 3.69Å; Y928-E938 PolarHBondContact OH-OE1 3.07Å; E938-R940 PolarHBondContact O-N 3.11Å |
| 939 | E | 51.4 | Low | 63 | Low | 79 Ų | 79 | 85.5 Ų | 85.5 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | trans | -63.4 | 91.3 | 165.8 | -74.2 | 175.4 | 137.9 | 0 | 0 | 106.3 | G927 Y928 T929 Y937 D941 | G927-E939 VanDerWaalsContact C-CB 3.47Å; G927-E939 VanDerWaalsContact C-OE2 3.28Å; G927-E939 WeakPolarHBondContact CA-OE2 3.36Å; G927-E939 PolarHBondContact N-OE2 2.59Å; G927-E939 VanDerWaalsContact N-OE2 3.08Å; G927-E939 WeakPolarHBondContact O-CB 3.41Å; G927-E939 PolarHBondContact O-N 3.07Å; Y928-E939 PolarHBondContact N-OE2 3.3Å; T929-E939 HydrophobicContact CG2-CG 3.63Å; Y937-E939 PolarHBondContact O-N 3.1Å; Y937-E939 VanDerWaalsContact O-N 3.16Å; E939-D941 PolarHBondContact O-N 3.07Å | ||
| 940 | R | 45.4 | Very low | 63.3 | Low | 210 Ų | 210 | 87.3 Ų | 87.3 | 79% | 0.792 | 46% | 0.455 | S | S | * | . | trans | -54.4 | 100.5 | 148.6 | -66.9 | -177.7 | 178.1 | -172.2 | -0.2 | 105.3 | E938 P942 | E938-R940 PolarHBondContact O-N 3.11Å; R940-P942 VanDerWaalsContact O-N 3.11Å | ||
| 941 | D | 52.5 | Low | 63.4 | Low | 91 Ų | 91 | 91.6 Ų | 91.6 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | trans | -32.5 | 122.1 | 156.5 | 160.4 | 25.8 | 0 | 0 | 0 | 106.5 | E939 C943 A944 | E939-D941 PolarHBondContact O-N 3.07Å; D941-C943 PolarHBondContact O-N 3.36Å; D941-C943 VanDerWaalsContact OD1-CB 3.26Å; D941-C943 WeakPolarHBondContact OD1-CB 3.49Å; D941-C943 PolarHBondContact OD1-N 2.68Å; D941-C943 WeakPolarHBondContact OD2-CB 3.39Å; D941-A944 HydrophobicContact CB-CB 4.19Å; D941-A944 WeakPolarHBondContact O-CB 3.02Å; D941-A944 PolarHBondContact O-N 3.33Å; D941-A944 PolarHBondContact OD2-N 3.05Å | ||
| 942 | P | 59.6 | Low | 63.9 | Low | 75 Ų | 75 | 88.5 Ų | 88.5 | 49% | 0.487 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -22.5 | 179.1 | -32.5 | 39.1 | 0 | 0 | 0 | 112.9 | R940 V946 G957 | R940-P942 VanDerWaalsContact O-N 3.11Å; P942-V946 WeakPolarHBondContact O-CG2 3.3Å; P942-G957 VanDerWaalsContact CB-N 3.32Å; P942-G957 WeakPolarHBondContact O-CA 3.25Å |
| 943 | C | 58.6 | Low | 63.7 | Low | 23 Ų | 23 | 94.8 Ų | 94.8 | 16% | 0.155 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.6 | 175.5 | -60 | 0 | 0 | 0 | 0 | 115.6 | D941 N945 V946 C954 | D941-C943 PolarHBondContact O-N 3.36Å; D941-C943 VanDerWaalsContact OD1-CB 3.26Å; D941-C943 WeakPolarHBondContact OD1-CB 3.49Å; D941-C943 PolarHBondContact OD1-N 2.68Å; D941-C943 WeakPolarHBondContact OD2-CB 3.39Å; C943-N945 PolarHBondContact O-N 3.15Å; C943-N945 VanDerWaalsContact O-N 3.12Å; C943-V946 WeakPolarHBondContact O-CB 3.33Å; C943-V946 PolarHBondContact O-N 2.83Å; C943-C954 WeakPolarHBondContact CA-SG 3.39Å; C943-C954 HydrophobicContact CB-CB 3.49Å; C943-C954 VanDerWaalsContact CB-CB 3.49Å; C943-C954 WeakPolarHBondContact CB-SG 3.39Å; C943-C954 WeakPolarHBondContact SG-CB 3.1Å; C943-C954 CovalentContact SG-SG 2.01Å; C943-C954 PolarHBondContact SG-SG 3.08Å |
| 944 | A | 52.3 | Low | 63.5 | Low | 45 Ų | 45 | 92 Ų | 92 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 112.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | D941 V946 | D941-A944 HydrophobicContact CB-CB 4.19Å; D941-A944 WeakPolarHBondContact O-CB 3.02Å; D941-A944 PolarHBondContact O-N 3.33Å; D941-A944 PolarHBondContact OD2-N 3.05Å; A944-V946 VanDerWaalsContact C-N 3.27Å |
| 945 | N | 52.6 | Low | 63.2 | Low | 159 Ų | 159 | 93 Ų | 93 | 85% | 0.85 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -0.4 | -170.9 | -46.1 | -87.1 | 0 | 0 | 0 | 115.6 | C943 R947 | C943-N945 PolarHBondContact O-N 3.15Å; C943-N945 VanDerWaalsContact O-N 3.12Å; N945-R947 PolarHBondContact O-N 3.49Å |
| 946 | V | 59.5 | Low | 63.1 | Low | 42 Ų | 42 | 97 Ų | 97 | 26% | 0.255 | 47% | 0.469 | S | S | . | . | trans | -74.2 | 109.1 | 171.9 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | P942 C943 A944 C948 Y970 | P942-V946 WeakPolarHBondContact O-CG2 3.3Å; C943-V946 WeakPolarHBondContact O-CB 3.33Å; C943-V946 PolarHBondContact O-N 2.83Å; A944-V946 VanDerWaalsContact C-N 3.27Å; V946-C948 PolarHBondContact O-N 3.44Å; V946-Y970 HydrophobicContact CG1-CD1 4.44Å; V946-Y970 HydrophobicContact CG1-CE1 3.81Å | ||
| 947 | R | 64.7 | Low | 62.3 | Low | 219 Ų | 219 | 97.6 Ų | 97.6 | 83% | 0.826 | 48% | 0.475 | S | S | * | . | trans | -87.9 | 103.4 | 178.3 | -66.7 | -173.8 | -177.7 | -173.1 | 0.6 | 110.3 | N945 | N945-R947 PolarHBondContact O-N 3.49Š| ||
| 948 | C | 73.5 | Confident | 62.8 | Low | 37 Ų | 37 | 95.7 Ų | 95.7 | 25% | 0.25 | 47% | 0.474 | C | S | . | . | trans | -87.5 | 156.2 | 169.9 | -56 | 0 | 0 | 0 | 0 | 112.5 | V946 A952 C954 C959 G969 | V946-C948 PolarHBondContact O-N 3.44Å; C948-A952 HydrophobicContact CB-CB 3.92Å; C948-C954 VanDerWaalsContact SG-CB 3.52Å; C948-C959 WeakPolarHBondContact CA-SG 3.44Å; C948-C959 HydrophobicContact CB-CB 3.71Å; C948-C959 WeakPolarHBondContact CB-SG 3.4Å; C948-C959 VanDerWaalsContact SG-CA 3.59Å; C948-C959 WeakPolarHBondContact SG-CB 3.15Å; C948-C959 CovalentContact SG-SG 2.03Å; C948-C959 PolarHBondContact SG-SG 2.89Å; C948-G969 CarbonylContact C-O 3.49Å; C948-G969 WeakPolarHBondContact CA-O 3.4Å | ||
| 949 | H | 74.4 | Confident | 64.5 | Low | 40 Ų | 40 | 90.2 Ų | 90.2 | 19% | 0.185 | 45% | 0.45 | C | S | . | . | trans | -59.5 | 146.7 | 169.1 | 179.4 | -101.7 | 0 | 0 | 0 | 110.7 | Y951 A952 G969 Y970 Q971 C973 | H949-Y951 AromaticContact CE1-CD2 3.68Å; H949-Y951 PolarHBondContact O-N 2.8Å; H949-A952 HydrophobicContact CB-CB 4.42Å; H949-A952 WeakPolarHBondContact O-CB 3.19Å; H949-A952 PolarHBondContact O-N 2.91Å; H949-G969 VanDerWaalsContact CB-O 3.24Å; H949-G969 WeakPolarHBondContact CB-O 3.28Å; H949-G969 PolarHBondContact N-O 3.21Å; H949-Y970 PolarHBondContact N-O 2.97Å; H949-Q971 VanDerWaalsContact CD2-C 3.43Å; H949-Q971 PolarHBondContact CD2-O 2.74Å; H949-C973 PolarHBondContact CE1-N 3.44Å; H949-C973 PolarHBondContact CE1-O 2.93Å; H949-C973 VanDerWaalsContact CE1-O 3.28Å; H949-C973 WeakPolarHBondContact ND1-CB 3.43Å; H949-C973 PolarHBondContact ND1-N 2.88Å | ||
| 950 | P | 68.5 | Low | 65.7 | Low | 117 Ų | 117 | 90.4 Ų | 90.4 | 76% | 0.76 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -11 | -169 | -28.1 | 37.4 | 0 | 0 | 0 | 118 | ||
| 951 | Y | 68 | Low | 66.9 | Low | 133 Ų | 133 | 81.7 Ų | 81.7 | 52% | 0.522 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -18.5 | 170.8 | -58.5 | -50.1 | 0 | 0 | 0 | 113.7 | H949 P962 Y965 | H949-Y951 AromaticContact CE1-CD2 3.68Å; H949-Y951 PolarHBondContact O-N 2.8Å; Y951-P962 WeakPolarHBondContact O-CD 3.05Å; Y951-P962 WeakPolarHBondContact O-CG 3.39Å; Y951-Y965 HydrophobicContact CD2-CD1 4.02Å; Y951-Y965 AromaticContact CD2-CE1 3.51Å; Y951-Y965 HydrophobicContact CD2-CE1 3.51Å; Y951-Y965 AromaticContact CE2-CE1 3.97Å; Y951-Y965 HydrophobicContact CE2-CE1 3.97Å; Y951-Y965 HydrophobicContact CG-CD1 4.34Å; Y951-Y965 AromaticContact CG-CE1 3.85Å; Y951-Y965 HydrophobicContact CG-CE1 3.85Å |
| 952 | A | 75.9 | Confident | 68 | Low | 14 Ų | 14 | 79.6 Ų | 79.6 | 12% | 0.116 | 41% | 0.413 | C | S | . | . | trans | -73.7 | 154.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C948 H949 C959 E960 G969 | C948-A952 HydrophobicContact CB-CB 3.92Å; H949-A952 HydrophobicContact CB-CB 4.42Å; H949-A952 WeakPolarHBondContact O-CB 3.19Å; H949-A952 PolarHBondContact O-N 2.91Å; A952-C959 HydrophobicContact CB-CB 4.26Å; A952-E960 CarbonylContact C-O 3.4Å; A952-E960 WeakPolarHBondContact CA-O 3.48Å; A952-E960 WeakPolarHBondContact CB-O 3.4Å; A952-G969 WeakPolarHBondContact CB-O 3.44Å | ||
| 953 | K | 71.7 | Confident | 68.1 | Low | 167 Ų | 167 | 81.5 Ų | 81.5 | 73% | 0.726 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.9 | 164 | -72.6 | -176.4 | 175.1 | -179.1 | 0 | 108.9 | E960 | K953-E960 PolarHBondContact N-O 3.13Å; K953-E960 PolarHBondContact O-N 2.95Å |
| 954 | C | 73.3 | Confident | 68 | Low | 38 Ų | 38 | 86.3 Ų | 86.3 | 26% | 0.257 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 140.1 | 167.6 | -173 | 0 | 0 | 0 | 0 | 110.4 | C943 C948 G957 N958 | C943-C954 WeakPolarHBondContact CA-SG 3.39Å; C943-C954 HydrophobicContact CB-CB 3.49Å; C943-C954 VanDerWaalsContact CB-CB 3.49Å; C943-C954 WeakPolarHBondContact CB-SG 3.39Å; C943-C954 WeakPolarHBondContact SG-CB 3.1Å; C943-C954 CovalentContact SG-SG 2.01Å; C943-C954 PolarHBondContact SG-SG 3.08Å; C948-C954 VanDerWaalsContact SG-CB 3.52Å; C954-G957 VanDerWaalsContact SG-CA 3.59Å; C954-N958 CarbonylContact C-O 3.51Å; C954-N958 VanDerWaalsContact CA-O 3.28Å; C954-N958 WeakPolarHBondContact CA-O 3.38Å |
| 955 | R | 69 | Low | 68.5 | Low | 132 Ų | 132 | 87.2 Ų | 87.2 | 50% | 0.498 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 120.5 | 178 | -157.6 | -178.8 | -178.3 | -164 | -7.3 | 107.8 | G957 N958 E960 | R955-G957 PolarHBondContact O-N 3.15Å; R955-N958 PolarHBondContact N-O 2.73Å; R955-N958 PolarHBondContact O-N 2.8Å; R955-N958 VanDerWaalsContact O-N 3.07Å; R955-E960 HydrophobicContact CB-CG 4.43Å; R955-E960 VanDerWaalsContact CD-CD 3.41Å; R955-E960 VanDerWaalsContact CD-OE1 3.29Å; R955-E960 WeakPolarHBondContact CD-OE1 3.31Å; R955-E960 WeakPolarHBondContact CD-OE2 3.05Å; R955-E960 IonicContact CZ-OE2 2.88Å; R955-E960 IonicContact NE-OE2 3.59Å; R955-E960 IonicContact NH1-OE1 2.86Å; R955-E960 IonicContact NH1-OE2 2.68Å; R955-E960 PolarHBondContact NH1-OE2 3.44Å |
| 956 | N | 59.7 | Low | 68.8 | Low | 147 Ų | 147 | 83.4 Ų | 83.4 | 79% | 0.786 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 33.8 | -171.9 | -74.8 | 11.3 | 0 | 0 | 0 | 114.9 | N958 | N956-N958 VanDerWaalsContact C-N 3.3Å; N956-N958 PolarHBondContact O-N 2.82Å |
| 957 | G | 64.6 | Low | 69.2 | Low | 12 Ų | 12 | 83.5 Ų | 83.5 | 12% | 0.124 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -5.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P942 C954 R955 Y970 | P942-G957 VanDerWaalsContact CB-N 3.32Å; P942-G957 WeakPolarHBondContact O-CA 3.25Å; C954-G957 VanDerWaalsContact SG-CA 3.59Å; R955-G957 PolarHBondContact O-N 3.15Å; G957-Y970 PolarHBondContact O-OH 3.05Å |
| 958 | N | 73.6 | Confident | 69.2 | Low | 103 Ų | 103 | 77.1 Ų | 77.1 | 55% | 0.551 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 151.2 | 167.9 | -71.3 | -24 | 0 | 0 | 0 | 110.5 | C954 R955 N956 Y970 | C954-N958 CarbonylContact C-O 3.51Å; C954-N958 VanDerWaalsContact CA-O 3.28Å; C954-N958 WeakPolarHBondContact CA-O 3.38Å; R955-N958 PolarHBondContact N-O 2.73Å; R955-N958 PolarHBondContact O-N 2.8Å; R955-N958 VanDerWaalsContact O-N 3.07Å; N956-N958 VanDerWaalsContact C-N 3.3Å; N956-N958 PolarHBondContact O-N 2.82Å; N958-Y970 WeakPolarHBondContact CA-OH 3.44Å; N958-Y970 PolarHBondContact OD1-OH 3.47Å |
| 959 | C | 85.1 | Confident | 69.2 | Low | 11 Ų | 11 | 75.3 Ų | 75.3 | 7% | 0.074 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.3 | 177.1 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | C948 A952 G969 Y970 | C948-C959 WeakPolarHBondContact CA-SG 3.44Å; C948-C959 HydrophobicContact CB-CB 3.71Å; C948-C959 WeakPolarHBondContact CB-SG 3.4Å; C948-C959 VanDerWaalsContact SG-CA 3.59Å; C948-C959 WeakPolarHBondContact SG-CB 3.15Å; C948-C959 CovalentContact SG-SG 2.03Å; C948-C959 PolarHBondContact SG-SG 2.89Å; A952-C959 HydrophobicContact CB-CB 4.26Å; C959-G969 WeakPolarHBondContact CB-O 3.36Å; C959-G969 WeakPolarHBondContact O-CA 3.43Å; C959-Y970 HydrophobicContact CB-CD1 4.3Å; C959-Y970 HydrophobicContact CB-CD2 4.24Å; C959-Y970 HydrophobicContact CB-CE1 4.43Å; C959-Y970 HydrophobicContact CB-CE2 4.35Å; C959-Y970 HydrophobicContact CB-CG 4.21Å; C959-Y970 WeakPolarHBondContact SG-CD1 3.38Å; C959-Y970 VanDerWaalsContact SG-CE1 3.58Å |
| 960 | E | 76.7 | Confident | 69.4 | Low | 83 Ų | 83 | 78.1 Ų | 78.1 | 39% | 0.388 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.5 | -179.8 | -67.4 | 179.2 | -175.2 | 0 | 0 | 110.9 | A952 K953 R955 | A952-E960 CarbonylContact C-O 3.4Å; A952-E960 WeakPolarHBondContact CA-O 3.48Å; A952-E960 WeakPolarHBondContact CB-O 3.4Å; K953-E960 PolarHBondContact N-O 3.13Å; K953-E960 PolarHBondContact O-N 2.95Å; R955-E960 HydrophobicContact CB-CG 4.43Å; R955-E960 VanDerWaalsContact CD-CD 3.41Å; R955-E960 VanDerWaalsContact CD-OE1 3.29Å; R955-E960 WeakPolarHBondContact CD-OE1 3.31Å; R955-E960 WeakPolarHBondContact CD-OE2 3.05Å; R955-E960 IonicContact CZ-OE2 2.88Å; R955-E960 IonicContact NE-OE2 3.59Å; R955-E960 IonicContact NH1-OE1 2.86Å; R955-E960 IonicContact NH1-OE2 2.68Å; R955-E960 PolarHBondContact NH1-OE2 3.44Å |
| 961 | C | 71.3 | Confident | 69.7 | Low | 28 Ų | 28 | 80.1 Ų | 80.1 | 19% | 0.189 | 41% | 0.412 | C | S | . | . | trans | -74.5 | 146.9 | 169.4 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | Y965 V972 C973 | C961-Y965 WeakPolarHBondContact CB-O 3.28Å; C961-V972 PolarHBondContact SG-O 3.27Å; C961-C973 VanDerWaalsContact CA-SG 3.5Å; C961-C973 HydrophobicContact CB-CB 3.83Å; C961-C973 WeakPolarHBondContact CB-SG 3.22Å; C961-C973 VanDerWaalsContact SG-CA 3.5Å; C961-C973 WeakPolarHBondContact SG-CB 3.12Å; C961-C973 CovalentContact SG-SG 2.04Å; C961-C973 PolarHBondContact SG-SG 3.03Å | ||
| 962 | P | 74.4 | Confident | 69.3 | Low | 47 Ų | 47 | 76 Ų | 76 | 31% | 0.305 | 40% | 0.4 | S | S | . | . | trans | -61.7 | 154.4 | 174.7 | -22.2 | 33.7 | 0 | 0 | 0 | 111.7 | Y951 D964 Y965 | Y951-P962 WeakPolarHBondContact O-CD 3.05Å; Y951-P962 WeakPolarHBondContact O-CG 3.39Å; P962-D964 PolarHBondContact O-N 2.93Å; P962-Y965 HydrophobicContact CB-CD2 4.34Å; P962-Y965 WeakPolarHBondContact O-CA 3.18Å; P962-Y965 PolarHBondContact O-N 3.37Å | ||
| 963 | P | 63.6 | Low | 68.8 | Low | 114 Ų | 114 | 75.5 Ų | 75.5 | 74% | 0.74 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.6 | -171.1 | -29.2 | 36.2 | 0 | 0 | 0 | 116.5 | Y965 | P963-Y965 VanDerWaalsContact C-N 3.28Å; P963-Y965 PolarHBondContact O-N 3Å |
| 964 | D | 54.8 | Low | 67.9 | Low | 124 Ų | 124 | 74.3 Ų | 74.3 | 66% | 0.663 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -0.1 | 175.6 | -61.8 | -55 | 0 | 0 | 0 | 113.8 | P962 P975 R976 | P962-D964 PolarHBondContact O-N 2.93Å; D964-P975 CarbonylContact O-C 3.58Å; D964-P975 WeakPolarHBondContact O-CA 3.47Å; D964-R976 PolarHBondContact O-N 2.8Å |
| 965 | Y | 64.5 | Low | 67.1 | Low | 65 Ų | 65 | 75 Ų | 75 | 26% | 0.255 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.6 | -172.9 | -69.1 | -119.9 | 0 | 0 | 0 | 112.1 | Y951 C961 P962 P963 C973 K974 P975 | Y951-Y965 HydrophobicContact CD2-CD1 4.02Å; Y951-Y965 AromaticContact CD2-CE1 3.51Å; Y951-Y965 HydrophobicContact CD2-CE1 3.51Å; Y951-Y965 AromaticContact CE2-CE1 3.97Å; Y951-Y965 HydrophobicContact CE2-CE1 3.97Å; Y951-Y965 HydrophobicContact CG-CD1 4.34Å; Y951-Y965 AromaticContact CG-CE1 3.85Å; Y951-Y965 HydrophobicContact CG-CE1 3.85Å; C961-Y965 WeakPolarHBondContact CB-O 3.28Å; P962-Y965 HydrophobicContact CB-CD2 4.34Å; P962-Y965 WeakPolarHBondContact O-CA 3.18Å; P962-Y965 PolarHBondContact O-N 3.37Å; P963-Y965 VanDerWaalsContact C-N 3.28Å; P963-Y965 PolarHBondContact O-N 3Å; Y965-C973 HydrophobicContact CD1-CB 4.17Å; Y965-K974 CarbonylContact C-O 3.56Å; Y965-K974 WeakPolarHBondContact CA-O 2.98Å; Y965-P975 HydrophobicContact CD1-CB 4.42Å; Y965-P975 HydrophobicContact CD1-CG 3.96Å; Y965-P975 HydrophobicContact CE1-CB 4.41Å; Y965-P975 HydrophobicContact CE1-CG 3.62Å; Y965-P975 HydrophobicContact CE2-CB 4.46Å; Y965-P975 HydrophobicContact CE2-CG 4.35Å; Y965-P975 HydrophobicContact CG-CB 4.46Å; Y965-P975 HydrophobicContact CG-CG 4.47Å |
| 966 | D | 58.2 | Low | 66.4 | Low | 78 Ų | 78 | 76.6 Ų | 76.6 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 150.2 | 170.9 | -75.8 | -44.4 | 0 | 0 | 0 | 112.5 | C973 K974 R976 | D966-C973 CarbonylContact O-C 3.53Å; D966-C973 WeakPolarHBondContact O-CA 3.42Å; D966-K974 PolarHBondContact N-O 3.23Å; D966-K974 PolarHBondContact O-N 3.34Å; D966-R976 IonicContact OD1-CZ 3.37Å; D966-R976 VanDerWaalsContact OD1-CZ 3.28Å; D966-R976 IonicContact OD1-NE 3.93Å; D966-R976 PolarHBondContact OD1-NE 2.88Å; D966-R976 VanDerWaalsContact OD1-NE 3.08Å; D966-R976 IonicContact OD1-NH2 3.32Å; D966-R976 PolarHBondContact OD1-NH2 3.38Å; D966-R976 WeakPolarHBondContact OD2-CD 3.46Å; D966-R976 WeakPolarHBondContact OD2-CG 3.04Å; D966-R976 IonicContact OD2-CZ 2.74Å; D966-R976 IonicContact OD2-NE 2.8Å; D966-R976 PolarHBondContact OD2-NE 3.34Å; D966-R976 IonicContact OD2-NH2 3.93Å |
| 967 | G | 67.4 | Low | 65.8 | Low | 44 Ų | 44 | 77.5 Ų | 77.5 | 45% | 0.454 | 41% | 0.406 | S | S | . | . | S | Bend | trans | 158.6 | -179.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | G969 V972 | G967-G969 PolarHBondContact O-N 3.08Å; G967-V972 CarbonylContact C-O 3.59Å; G967-V972 VanDerWaalsContact CA-O 3.27Å; G967-V972 WeakPolarHBondContact CA-O 3.33Å |
| 968 | D | 65 | Low | 64.7 | Low | 85 Ų | 85 | 80.8 Ų | 80.8 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | trans | -71.9 | -8.8 | 179.4 | 68 | 8.8 | 0 | 0 | 0 | 113.8 | Y970 Q971 V972 | D968-Y970 WeakPolarHBondContact O-CD2 3.26Å; D968-Y970 PolarHBondContact O-N 2.83Å; D968-Y970 PolarHBondContact OD1-N 3.48Å; D968-Q971 PolarHBondContact OD1-N 3.4Å; D968-V972 PolarHBondContact N-O 3.17Å; D968-V972 PolarHBondContact OD1-N 3.26Å | ||
| 969 | G | 73.6 | Confident | 63.5 | Low | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | S | Bend | trans | 70 | -26.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C948 H949 A952 C959 G967 V972 | C948-G969 CarbonylContact C-O 3.49Å; C948-G969 WeakPolarHBondContact CA-O 3.4Å; H949-G969 VanDerWaalsContact CB-O 3.24Å; H949-G969 WeakPolarHBondContact CB-O 3.28Å; H949-G969 PolarHBondContact N-O 3.21Å; A952-G969 WeakPolarHBondContact CB-O 3.44Å; C959-G969 WeakPolarHBondContact CB-O 3.36Å; C959-G969 WeakPolarHBondContact O-CA 3.43Å; G967-G969 PolarHBondContact O-N 3.08Å; G969-V972 PolarHBondContact N-O 2.69Å |
| 970 | Y | 78 | Confident | 61.9 | Low | 98 Ų | 98 | 82.3 Ų | 82.3 | 38% | 0.384 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -80.9 | -42.4 | 179.9 | -69.4 | -85 | 0 | 0 | 0 | 112.7 | V946 H949 G957 N958 C959 D968 | V946-Y970 HydrophobicContact CG1-CD1 4.44Å; V946-Y970 HydrophobicContact CG1-CE1 3.81Å; H949-Y970 PolarHBondContact N-O 2.97Å; G957-Y970 PolarHBondContact O-OH 3.05Å; N958-Y970 WeakPolarHBondContact CA-OH 3.44Å; N958-Y970 PolarHBondContact OD1-OH 3.47Å; C959-Y970 HydrophobicContact CB-CD1 4.3Å; C959-Y970 HydrophobicContact CB-CD2 4.24Å; C959-Y970 HydrophobicContact CB-CE1 4.43Å; C959-Y970 HydrophobicContact CB-CE2 4.35Å; C959-Y970 HydrophobicContact CB-CG 4.21Å; C959-Y970 WeakPolarHBondContact SG-CD1 3.38Å; C959-Y970 VanDerWaalsContact SG-CE1 3.58Å; D968-Y970 WeakPolarHBondContact O-CD2 3.26Å; D968-Y970 PolarHBondContact O-N 2.83Å; D968-Y970 PolarHBondContact OD1-N 3.48Å |
| 971 | Q | 75.5 | Confident | 61.4 | Low | 160 Ų | 160 | 80.3 Ų | 80.3 | 75% | 0.748 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -129.7 | -9.2 | 179 | -60.2 | -163.8 | 20.8 | 0 | 0 | 113.8 | H949 D968 | H949-Q971 VanDerWaalsContact CD2-C 3.43Å; H949-Q971 PolarHBondContact CD2-O 2.74Å; D968-Q971 PolarHBondContact OD1-N 3.4Å |
| 972 | V | 58.4 | Low | 60.8 | Low | 45 Ų | 45 | 81.7 Ų | 81.7 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | trans | -140.4 | 129.6 | -175.6 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | C961 G967 D968 G969 K974 | C961-V972 PolarHBondContact SG-O 3.27Å; G967-V972 CarbonylContact C-O 3.59Å; G967-V972 VanDerWaalsContact CA-O 3.27Å; G967-V972 WeakPolarHBondContact CA-O 3.33Å; D968-V972 PolarHBondContact N-O 3.17Å; D968-V972 PolarHBondContact OD1-N 3.26Å; G969-V972 PolarHBondContact N-O 2.69Å; V972-K974 HydrophobicContact CG1-CD 4.01Å; V972-K974 HydrophobicContact CG1-CG 4.04Å | ||
| 973 | C | 66.3 | Low | 59.7 | Low | 5 Ų | 5 | 87 Ų | 87 | 3% | 0.034 | 45% | 0.45 | C | S | . | . | trans | -144.7 | 129.9 | 151.8 | -62.9 | 0 | 0 | 0 | 0 | 108.4 | H949 C961 Y965 D966 | H949-C973 PolarHBondContact CE1-N 3.44Å; H949-C973 PolarHBondContact CE1-O 2.93Å; H949-C973 VanDerWaalsContact CE1-O 3.28Å; H949-C973 WeakPolarHBondContact ND1-CB 3.43Å; H949-C973 PolarHBondContact ND1-N 2.88Å; C961-C973 VanDerWaalsContact CA-SG 3.5Å; C961-C973 HydrophobicContact CB-CB 3.83Å; C961-C973 WeakPolarHBondContact CB-SG 3.22Å; C961-C973 VanDerWaalsContact SG-CA 3.5Å; C961-C973 WeakPolarHBondContact SG-CB 3.12Å; C961-C973 CovalentContact SG-SG 2.04Å; C961-C973 PolarHBondContact SG-SG 3.03Å; Y965-C973 HydrophobicContact CD1-CB 4.17Å; D966-C973 CarbonylContact O-C 3.53Å; D966-C973 WeakPolarHBondContact O-CA 3.42Å | ||
| 974 | K | 52 | Low | 59.5 | Low | 142 Ų | 142 | 83.6 Ų | 83.6 | 62% | 0.617 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.8 | -176.3 | -63.6 | 170.1 | -179.7 | 166.1 | 0 | 110.3 | Y965 D966 V972 R976 | Y965-K974 CarbonylContact C-O 3.56Å; Y965-K974 WeakPolarHBondContact CA-O 2.98Å; D966-K974 PolarHBondContact N-O 3.23Å; D966-K974 PolarHBondContact O-N 3.34Å; V972-K974 HydrophobicContact CG1-CD 4.01Å; V972-K974 HydrophobicContact CG1-CG 4.04Å; K974-R976 PolarHBondContact O-N 3.31Å |
| 975 | P | 57.5 | Low | 60.2 | Low | 52 Ų | 52 | 86.1 Ų | 86.1 | 34% | 0.338 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133.9 | -173.3 | -10.5 | 20.3 | 0 | 0 | 0 | 113.4 | D964 Y965 N977 Y978 | D964-P975 CarbonylContact O-C 3.58Å; D964-P975 WeakPolarHBondContact O-CA 3.47Å; Y965-P975 HydrophobicContact CD1-CB 4.42Å; Y965-P975 HydrophobicContact CD1-CG 3.96Å; Y965-P975 HydrophobicContact CE1-CB 4.41Å; Y965-P975 HydrophobicContact CE1-CG 3.62Å; Y965-P975 HydrophobicContact CE2-CB 4.46Å; Y965-P975 HydrophobicContact CE2-CG 4.35Å; Y965-P975 HydrophobicContact CG-CB 4.46Å; Y965-P975 HydrophobicContact CG-CG 4.47Å; P975-N977 PolarHBondContact O-N 3.02Å; P975-N977 VanDerWaalsContact O-N 3.12Å; P975-Y978 PolarHBondContact O-N 3.38Å |
| 976 | R | 53.6 | Low | 60.8 | Low | 166 Ų | 166 | 84.8 Ų | 84.8 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.2 | -174 | -98.7 | -178.7 | 176.8 | 169 | 7.5 | 115.7 | D964 D966 K974 | D964-R976 PolarHBondContact O-N 2.8Å; D966-R976 IonicContact OD1-CZ 3.37Å; D966-R976 VanDerWaalsContact OD1-CZ 3.28Å; D966-R976 IonicContact OD1-NE 3.93Å; D966-R976 PolarHBondContact OD1-NE 2.88Å; D966-R976 VanDerWaalsContact OD1-NE 3.08Å; D966-R976 IonicContact OD1-NH2 3.32Å; D966-R976 PolarHBondContact OD1-NH2 3.38Å; D966-R976 WeakPolarHBondContact OD2-CD 3.46Å; D966-R976 WeakPolarHBondContact OD2-CG 3.04Å; D966-R976 IonicContact OD2-CZ 2.74Å; D966-R976 IonicContact OD2-NE 2.8Å; D966-R976 PolarHBondContact OD2-NE 3.34Å; D966-R976 IonicContact OD2-NH2 3.93Å; K974-R976 PolarHBondContact O-N 3.31Å |
| 977 | N | 48.4 | Very low | 62.1 | Low | 165 Ų | 165 | 82.9 Ų | 82.9 | 88% | 0.882 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | 36.3 | -174.8 | -157.4 | 7 | 0 | 0 | 0 | 112.2 | P975 | P975-N977 PolarHBondContact O-N 3.02Å; P975-N977 VanDerWaalsContact O-N 3.12Å |
| 978 | Y | 41 | Very low | 62.8 | Low | 82 Ų | 82 | 88.5 Ų | 88.5 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | trans | -85.2 | 126.3 | 172.5 | 175.5 | -110.6 | 0 | 0 | 0 | 109.9 | P975 P980 S982 H983 | P975-Y978 PolarHBondContact O-N 3.38Å; Y978-P980 WeakPolarHBondContact O-CD 3.32Å; Y978-P980 WeakPolarHBondContact O-CG 3.47Å; Y978-S982 WeakPolarHBondContact CE2-OG 3.46Å; Y978-S982 PolarHBondContact OH-OG 3.06Å; Y978-S982 VanDerWaalsContact OH-OG 3.04Å; Y978-H983 VanDerWaalsContact OH-CB 3.24Å; Y978-H983 WeakPolarHBondContact OH-CB 3.45Å; Y978-H983 PolarHBondContact OH-N 3.44Å | ||
| 979 | D | 48.6 | Very low | 63.6 | Low | 104 Ų | 104 | 85.3 Ų | 85.3 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | trans | -57 | 107.4 | 165.9 | 171.6 | -5.8 | 0 | 0 | 0 | 107.5 | C981 S982 | D979-C981 PolarHBondContact O-N 2.95Å; D979-C981 PolarHBondContact OD1-N 3.12Å; D979-S982 WeakPolarHBondContact O-CB 3.02Å; D979-S982 PolarHBondContact O-N 2.64Å; D979-S982 PolarHBondContact O-OG 3.07Å | ||
| 980 | P | 50.4 | Low | 64.2 | Low | 42 Ų | 42 | 85.6 Ų | 85.6 | 27% | 0.273 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.5 | -162.1 | -29.6 | 40 | 0 | 0 | 0 | 114.3 | Y978 V984 N994 G995 | Y978-P980 WeakPolarHBondContact O-CD 3.32Å; Y978-P980 WeakPolarHBondContact O-CG 3.47Å; P980-V984 WeakPolarHBondContact O-CG2 3.44Å; P980-N994 WeakPolarHBondContact CB-O 3.25Å; P980-G995 VanDerWaalsContact CB-CA 3.47Å; P980-G995 WeakPolarHBondContact O-CA 3.31Å |
| 981 | C | 67.6 | Low | 64.3 | Low | 40 Ų | 40 | 83.6 Ų | 83.6 | 27% | 0.27 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -10.2 | -178.3 | -68.5 | 0 | 0 | 0 | 0 | 114.4 | D979 H983 V984 C992 G995 | D979-C981 PolarHBondContact O-N 2.95Å; D979-C981 PolarHBondContact OD1-N 3.12Å; C981-H983 VanDerWaalsContact C-N 3.29Å; C981-H983 PolarHBondContact O-N 3.03Å; C981-H983 VanDerWaalsContact O-N 3.11Å; C981-V984 PolarHBondContact O-N 3.19Å; C981-V984 VanDerWaalsContact O-N 3.17Å; C981-C992 WeakPolarHBondContact CA-SG 3.36Å; C981-C992 HydrophobicContact CB-CB 3.79Å; C981-C992 WeakPolarHBondContact CB-SG 3.48Å; C981-C992 VanDerWaalsContact SG-C 3.57Å; C981-C992 WeakPolarHBondContact SG-CB 3.31Å; C981-C992 CovalentContact SG-SG 2.04Å; C981-C992 PolarHBondContact SG-SG 3.14Å; C981-G995 PolarHBondContact SG-N 3.23Å |
| 982 | S | 59 | Low | 64.5 | Low | 57 Ų | 57 | 77.7 Ų | 77.7 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -21.8 | -162.8 | 59.8 | 0 | 0 | 0 | 0 | 116.1 | Y978 D979 | Y978-S982 WeakPolarHBondContact CE2-OG 3.46Å; Y978-S982 PolarHBondContact OH-OG 3.06Å; Y978-S982 VanDerWaalsContact OH-OG 3.04Å; D979-S982 WeakPolarHBondContact O-CB 3.02Å; D979-S982 PolarHBondContact O-N 2.64Å; D979-S982 PolarHBondContact O-OG 3.07Å |
| 983 | H | 50.2 | Low | 65 | Low | 159 Ų | 159 | 83.5 Ų | 83.5 | 74% | 0.736 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | 9.5 | 171 | -56.2 | -27.9 | 0 | 0 | 0 | 113.5 | Y978 C981 Q985 | Y978-H983 VanDerWaalsContact OH-CB 3.24Å; Y978-H983 WeakPolarHBondContact OH-CB 3.45Å; Y978-H983 PolarHBondContact OH-N 3.44Å; C981-H983 VanDerWaalsContact C-N 3.29Å; C981-H983 PolarHBondContact O-N 3.03Å; C981-H983 VanDerWaalsContact O-N 3.11Å; H983-Q985 PolarHBondContact O-N 3.03Å; H983-Q985 VanDerWaalsContact O-N 3.16Å |
| 984 | V | 60.3 | Low | 64.6 | Low | 42 Ų | 42 | 90.1 Ų | 90.1 | 26% | 0.255 | 44% | 0.444 | S | S | . | . | trans | -79.5 | 102.3 | -177.7 | 170.7 | 0 | 0 | 0 | 0 | 110 | P980 C981 C986 C997 Y1008 | P980-V984 WeakPolarHBondContact O-CG2 3.44Å; C981-V984 PolarHBondContact O-N 3.19Å; C981-V984 VanDerWaalsContact O-N 3.17Å; V984-C986 PolarHBondContact O-N 3.27Å; V984-C986 VanDerWaalsContact O-N 3.12Å; V984-C997 WeakPolarHBondContact CG1-SG 3.33Å; V984-Y1008 HydrophobicContact CG1-CD1 4.09Å; V984-Y1008 HydrophobicContact CG1-CE1 3.66Å | ||
| 985 | Q | 68 | Low | 65.2 | Low | 178 Ų | 178 | 84 Ų | 84 | 83% | 0.832 | 42% | 0.42 | S | S | * | . | trans | -75.1 | 97 | 170.5 | -68.9 | -169.5 | -4.1 | 0 | 0 | 109.9 | H983 | H983-Q985 PolarHBondContact O-N 3.03Å; H983-Q985 VanDerWaalsContact O-N 3.16Å | ||
| 986 | C | 78.8 | Confident | 65.8 | Low | 37 Ų | 37 | 85.3 Ų | 85.3 | 25% | 0.25 | 43% | 0.428 | C | S | . | . | trans | -76.4 | 154.3 | 168 | -59.6 | 0 | 0 | 0 | 0 | 112 | V984 A990 C997 G1007 | V984-C986 PolarHBondContact O-N 3.27Å; V984-C986 VanDerWaalsContact O-N 3.12Å; C986-A990 HydrophobicContact CB-CB 3.88Å; C986-C997 WeakPolarHBondContact CA-SG 3.48Å; C986-C997 HydrophobicContact CB-CB 3.77Å; C986-C997 WeakPolarHBondContact CB-SG 3.41Å; C986-C997 VanDerWaalsContact SG-CA 3.59Å; C986-C997 WeakPolarHBondContact SG-CB 2.87Å; C986-C997 CovalentContact SG-SG 2.04Å; C986-C997 PolarHBondContact SG-SG 3.27Å; C986-G1007 CarbonylContact C-O 3.52Å; C986-G1007 WeakPolarHBondContact CA-O 3.27Å | ||
| 987 | H | 85.2 | Confident | 67.4 | Low | 38 Ų | 38 | 77.7 Ų | 77.7 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | trans | -53.8 | 149.4 | 165.3 | -178 | -99.9 | 0 | 0 | 0 | 110.7 | D989 A990 G1007 Y1008 R1009 C1011 | H987-D989 PolarHBondContact ND1-N 3.05Å; H987-D989 PolarHBondContact O-N 2.97Å; H987-A990 HydrophobicContact CB-CB 4.45Å; H987-A990 WeakPolarHBondContact O-CB 3.41Å; H987-A990 PolarHBondContact O-N 3.42Å; H987-G1007 WeakPolarHBondContact CB-O 3.06Å; H987-G1007 PolarHBondContact N-O 3.11Å; H987-Y1008 PolarHBondContact N-O 2.77Å; H987-R1009 PolarHBondContact CD2-O 3.31Å; H987-C1011 PolarHBondContact CE1-N 2.78Å; H987-C1011 VanDerWaalsContact CE1-N 3.32Å; H987-C1011 PolarHBondContact CE1-O 2.84Å; H987-C1011 VanDerWaalsContact CE1-O 3.32Å; H987-C1011 WeakPolarHBondContact ND1-CB 3.29Å; H987-C1011 PolarHBondContact ND1-N 2.83Å; H987-C1011 VanDerWaalsContact ND1-N 3.14Å | ||
| 988 | Y | 82.4 | Confident | 68.8 | Low | 162 Ų | 162 | 72.5 Ų | 72.5 | 64% | 0.635 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -20.5 | -169 | 79.2 | -89.9 | 0 | 0 | 0 | 113.8 | R1000 | Y988-R1000 PolarHBondContact O-NH1 2.9Å; Y988-R1000 PolarHBondContact O-NH2 2.89Å |
| 989 | D | 81.7 | Confident | 70.6 | Confident | 18 Ų | 18 | 70 Ų | 70 | 10% | 0.096 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 16.7 | 173.8 | -89.7 | -30.3 | 0 | 0 | 0 | 114.8 | H987 R1000 Y1003 C1011 | H987-D989 PolarHBondContact ND1-N 3.05Å; H987-D989 PolarHBondContact O-N 2.97Å; D989-R1000 WeakPolarHBondContact O-CB 3.17Å; D989-R1000 VanDerWaalsContact O-CG 3.27Å; D989-R1000 WeakPolarHBondContact O-CG 3.16Å; D989-R1000 PolarHBondContact O-N 3.26Å; D989-R1000 IonicContact OD1-NH1 3.46Å; D989-R1000 PolarHBondContact OD1-NH1 2.9Å; D989-Y1003 HydrophobicContact CB-CD1 4.22Å; D989-Y1003 HydrophobicContact CB-CE1 4.31Å; D989-Y1003 HydrophobicContact CB-CG 4.37Å; D989-Y1003 VanDerWaalsContact OD2-CE1 3.24Å; D989-Y1003 WeakPolarHBondContact OD2-CE1 3.44Å; D989-Y1003 PolarHBondContact OD2-OH 3.4Å; D989-C1011 HydrophobicContact CB-CB 3.95Å |
| 990 | A | 84.6 | Confident | 72.2 | Confident | 5 Ų | 5 | 70 Ų | 70 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 174.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C986 H987 C997 T998 R1000 G1007 | C986-A990 HydrophobicContact CB-CB 3.88Å; H987-A990 HydrophobicContact CB-CB 4.45Å; H987-A990 WeakPolarHBondContact O-CB 3.41Å; H987-A990 PolarHBondContact O-N 3.42Å; A990-C997 HydrophobicContact CB-CB 4.3Å; A990-T998 CarbonylContact C-O 3.58Å; A990-T998 WeakPolarHBondContact CA-O 3.43Å; A990-T998 WeakPolarHBondContact CB-O 3.2Å; A990-R1000 PolarHBondContact O-NE 3.29Å; A990-R1000 PolarHBondContact O-NH2 3.02Å; A990-G1007 VanDerWaalsContact CB-O 3.25Å; A990-G1007 WeakPolarHBondContact CB-O 3.36Å |
| 991 | T | 80.7 | Confident | 72.9 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 35% | 0.35 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 125.4 | 178.2 | 22.1 | 0 | 0 | 0 | 0 | 109.1 | T998 R1000 | T991-T998 PolarHBondContact N-O 2.85Å; T991-T998 PolarHBondContact O-N 3.28Å; T991-T998 PolarHBondContact O-OG1 3.17Å; T991-T998 PolarHBondContact OG1-O 3.19Å; T991-T998 PolarHBondContact OG1-OG1 3.38Å; T991-R1000 HydrophobicContact CG2-CG 4.43Å |
| 992 | C | 81 | Confident | 72.3 | Confident | 35 Ų | 35 | 76.9 Ų | 76.9 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.3 | 176.5 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | C981 G995 V996 | C981-C992 WeakPolarHBondContact CA-SG 3.36Å; C981-C992 HydrophobicContact CB-CB 3.79Å; C981-C992 WeakPolarHBondContact CB-SG 3.48Å; C981-C992 VanDerWaalsContact SG-C 3.57Å; C981-C992 WeakPolarHBondContact SG-CB 3.31Å; C981-C992 CovalentContact SG-SG 2.04Å; C981-C992 PolarHBondContact SG-SG 3.14Å; C992-G995 VanDerWaalsContact SG-CA 3.53Å; C992-V996 WeakPolarHBondContact CA-O 3.25Å |
| 993 | Y | 68.3 | Low | 72.8 | Confident | 168 Ų | 168 | 78.1 Ų | 78.1 | 66% | 0.659 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121.4 | 167 | -84.3 | -83.6 | 0 | 0 | 0 | 108.2 | G995 V996 | Y993-G995 PolarHBondContact O-N 3.48Å; Y993-V996 PolarHBondContact N-O 3.42Å; Y993-V996 PolarHBondContact O-N 2.92Å |
| 994 | N | 58.4 | Low | 73.4 | Confident | 144 Ų | 144 | 74.6 Ų | 74.6 | 77% | 0.77 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 36.9 | -177.7 | -118.1 | 28.7 | 0 | 0 | 0 | 113.9 | P980 V996 | P980-N994 WeakPolarHBondContact CB-O 3.25Å; N994-V996 PolarHBondContact O-N 2.04Å |
| 995 | G | 64.7 | Low | 74 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 12% | 0.124 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -7.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P980 C981 C992 Y993 Y1008 | P980-G995 VanDerWaalsContact CB-CA 3.47Å; P980-G995 WeakPolarHBondContact O-CA 3.31Å; C981-G995 PolarHBondContact SG-N 3.23Å; C992-G995 VanDerWaalsContact SG-CA 3.53Å; Y993-G995 PolarHBondContact O-N 3.48Å; G995-Y1008 PolarHBondContact O-OH 2.06Å |
| 996 | V | 70.2 | Confident | 74.2 | Confident | 81 Ų | 81 | 69.7 Ų | 69.7 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120.4 | 171.9 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | C992 Y993 N994 T998 Y1008 | C992-V996 WeakPolarHBondContact CA-O 3.25Å; Y993-V996 PolarHBondContact N-O 3.42Å; Y993-V996 PolarHBondContact O-N 2.92Å; N994-V996 PolarHBondContact O-N 2.04Å; V996-T998 HydrophobicContact CG1-CG2 4.35Å; V996-T998 PolarHBondContact O-N 3.13Å; V996-Y1008 WeakPolarHBondContact CA-OH 3.32Å |
| 997 | C | 85.6 | Confident | 74.2 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 117.5 | 169.4 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | V984 C986 A990 G1007 Y1008 | V984-C997 WeakPolarHBondContact CG1-SG 3.33Å; C986-C997 WeakPolarHBondContact CA-SG 3.48Å; C986-C997 HydrophobicContact CB-CB 3.77Å; C986-C997 WeakPolarHBondContact CB-SG 3.41Å; C986-C997 VanDerWaalsContact SG-CA 3.59Å; C986-C997 WeakPolarHBondContact SG-CB 2.87Å; C986-C997 CovalentContact SG-SG 2.04Å; C986-C997 PolarHBondContact SG-SG 3.27Å; A990-C997 HydrophobicContact CB-CB 4.3Å; C997-G1007 WeakPolarHBondContact CB-O 3.18Å; C997-Y1008 HydrophobicContact CB-CD1 4.1Å; C997-Y1008 HydrophobicContact CB-CD2 4.27Å; C997-Y1008 HydrophobicContact CB-CE1 4.16Å; C997-Y1008 HydrophobicContact CB-CE2 4.32Å; C997-Y1008 HydrophobicContact CB-CG 4.16Å; C997-Y1008 WeakPolarHBondContact SG-CD1 3.46Å; C997-Y1008 VanDerWaalsContact SG-CE1 3.51Å |
| 998 | T | 78.4 | Confident | 73.9 | Confident | 56 Ų | 56 | 71 Ų | 71 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.2 | 177.2 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | A990 T991 V996 R1000 | A990-T998 CarbonylContact C-O 3.58Å; A990-T998 WeakPolarHBondContact CA-O 3.43Å; A990-T998 WeakPolarHBondContact CB-O 3.2Å; T991-T998 PolarHBondContact N-O 2.85Å; T991-T998 PolarHBondContact O-N 3.28Å; T991-T998 PolarHBondContact O-OG1 3.17Å; T991-T998 PolarHBondContact OG1-O 3.19Å; T991-T998 PolarHBondContact OG1-OG1 3.38Å; V996-T998 HydrophobicContact CG1-CG2 4.35Å; V996-T998 PolarHBondContact O-N 3.13Å; T998-R1000 PolarHBondContact O-N 3.09Å |
| 999 | C | 79.3 | Confident | 73.6 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 137.1 | 173.9 | -67 | 0 | 0 | 0 | 0 | 110.6 | C1011 | C999-C1011 WeakPolarHBondContact CA-SG 3.2Å; C999-C1011 HydrophobicContact CB-CB 3.83Å; C999-C1011 WeakPolarHBondContact CB-SG 3.5Å; C999-C1011 VanDerWaalsContact SG-CA 3.56Å; C999-C1011 WeakPolarHBondContact SG-CB 3.37Å; C999-C1011 CovalentContact SG-SG 2.04Å; C999-C1011 PolarHBondContact SG-SG 3.34Å |
| 1000 | R | 82.5 | Confident | 72.8 | Confident | 103 Ų | 103 | 76.5 Ų | 76.5 | 39% | 0.389 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 153.4 | -179.4 | -67.2 | 171.7 | -162.3 | 141.3 | 12.1 | 110.8 | Y988 D989 A990 T991 T998 G1002 Y1003 | Y988-R1000 PolarHBondContact O-NH1 2.9Å; Y988-R1000 PolarHBondContact O-NH2 2.89Å; D989-R1000 WeakPolarHBondContact O-CB 3.17Å; D989-R1000 VanDerWaalsContact O-CG 3.27Å; D989-R1000 WeakPolarHBondContact O-CG 3.16Å; D989-R1000 PolarHBondContact O-N 3.26Å; D989-R1000 IonicContact OD1-NH1 3.46Å; D989-R1000 PolarHBondContact OD1-NH1 2.9Å; A990-R1000 PolarHBondContact O-NE 3.29Å; A990-R1000 PolarHBondContact O-NH2 3.02Å; T991-R1000 HydrophobicContact CG2-CG 4.43Å; T998-R1000 PolarHBondContact O-N 3.09Å; R1000-G1002 PolarHBondContact O-N 3.12Å; R1000-Y1003 WeakPolarHBondContact O-CB 3.01Å; R1000-Y1003 PolarHBondContact O-N 2.83Å |
| 1001 | N | 64.8 | Low | 72.2 | Confident | 175 Ų | 175 | 76.5 Ų | 76.5 | 94% | 0.936 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 124.2 | 179.3 | -89.9 | -42 | 0 | 0 | 0 | 112.1 | ||
| 1002 | G | 53.4 | Low | 71.5 | Confident | 53 Ų | 53 | 78.4 Ų | 78.4 | 55% | 0.546 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.4 | -12.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1000 R1014 | R1000-G1002 PolarHBondContact O-N 3.12Å; G1002-R1014 PolarHBondContact O-N 3.01Å |
| 1003 | Y | 71.4 | Confident | 70.4 | Confident | 83 Ų | 83 | 80.1 Ų | 80.1 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 160.2 | 179.3 | -62.3 | -99.7 | 0 | 0 | 0 | 112.4 | D989 R1000 C1011 R1012 P1013 | D989-Y1003 HydrophobicContact CB-CD1 4.22Å; D989-Y1003 HydrophobicContact CB-CE1 4.31Å; D989-Y1003 HydrophobicContact CB-CG 4.37Å; D989-Y1003 VanDerWaalsContact OD2-CE1 3.24Å; D989-Y1003 WeakPolarHBondContact OD2-CE1 3.44Å; D989-Y1003 PolarHBondContact OD2-OH 3.4Å; R1000-Y1003 WeakPolarHBondContact O-CB 3.01Å; R1000-Y1003 PolarHBondContact O-N 2.83Å; Y1003-C1011 HydrophobicContact CD1-CB 4.45Å; Y1003-R1012 CarbonylContact C-O 3.47Å; Y1003-R1012 VanDerWaalsContact CA-O 3.23Å; Y1003-R1012 WeakPolarHBondContact CA-O 3.18Å; Y1003-R1012 WeakPolarHBondContact CB-O 3.21Å; Y1003-P1013 HydrophobicContact CD1-CG 4.32Å; Y1003-P1013 HydrophobicContact CE1-CG 4.04Å |
| 1004 | I | 62.8 | Low | 69.4 | Low | 84 Ų | 84 | 80.6 Ų | 80.6 | 43% | 0.431 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 147.5 | 176.3 | -165.2 | 167.9 | 0 | 0 | 0 | 109.5 | R1012 R1014 | I1004-R1012 HydrophobicContact CG2-CG 4.44Å; I1004-R1012 PolarHBondContact N-O 3.49Å; I1004-R1012 WeakPolarHBondContact O-CG 3.47Å; I1004-R1012 PolarHBondContact O-N 2.86Å; I1004-R1012 VanDerWaalsContact O-O 3.06Å; I1004-R1014 HydrophobicContact CB-CB 4.18Å; I1004-R1014 HydrophobicContact CB-CG 4.06Å; I1004-R1014 HydrophobicContact CD1-CG 4.32Å; I1004-R1014 HydrophobicContact CG2-CB 4.15Å; I1004-R1014 HydrophobicContact CG2-CG 4.16Å |
| 1005 | G | 71.3 | Confident | 68.8 | Low | 38 Ų | 38 | 78.8 Ų | 78.8 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 153 | -172.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1007 E1010 | G1005-G1007 VanDerWaalsContact C-N 3.28Å; G1005-G1007 PolarHBondContact O-N 3.44Å; G1005-E1010 CarbonylContact C-O 3.49Å; G1005-E1010 VanDerWaalsContact CA-O 3.29Å; G1005-E1010 WeakPolarHBondContact CA-O 3.37Å |
| 1006 | D | 73 | Confident | 67.8 | Low | 79 Ų | 79 | 85.4 Ų | 85.4 | 42% | 0.422 | 43% | 0.431 | S | S | . | . | trans | -76.2 | -15.3 | -179 | 75.5 | -7 | 0 | 0 | 0 | 113.3 | Y1008 R1009 E1010 | D1006-Y1008 WeakPolarHBondContact O-CD2 3.36Å; D1006-Y1008 PolarHBondContact O-N 3.03Å; D1006-Y1008 VanDerWaalsContact O-N 3.1Å; D1006-Y1008 PolarHBondContact OD1-N 3.22Å; D1006-R1009 PolarHBondContact OD1-N 3.5Å; D1006-R1009 PolarHBondContact OD2-N 3.21Å; D1006-E1010 PolarHBondContact N-O 3.29Å; D1006-E1010 PolarHBondContact OD1-N 2.76Å | ||
| 1007 | G | 79.1 | Confident | 66.5 | Low | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 43% | 0.431 | C | S | . | . | S | Bend | trans | 76.3 | -22.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C986 H987 A990 C997 G1005 E1010 | C986-G1007 CarbonylContact C-O 3.52Å; C986-G1007 WeakPolarHBondContact CA-O 3.27Å; H987-G1007 WeakPolarHBondContact CB-O 3.06Å; H987-G1007 PolarHBondContact N-O 3.11Å; A990-G1007 VanDerWaalsContact CB-O 3.25Å; A990-G1007 WeakPolarHBondContact CB-O 3.36Å; C997-G1007 WeakPolarHBondContact CB-O 3.18Å; G1005-G1007 VanDerWaalsContact C-N 3.28Å; G1005-G1007 PolarHBondContact O-N 3.44Å; G1007-E1010 PolarHBondContact N-O 2.95Å; G1007-E1010 VanDerWaalsContact N-O 3.13Å |
| 1008 | Y | 77.8 | Confident | 64.9 | Low | 102 Ų | 102 | 91.4 Ų | 91.4 | 40% | 0.4 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -90.1 | -40.2 | -178.2 | -64.8 | -84.4 | 0 | 0 | 0 | 112.5 | V984 H987 G995 V996 C997 D1006 | V984-Y1008 HydrophobicContact CG1-CD1 4.09Å; V984-Y1008 HydrophobicContact CG1-CE1 3.66Å; H987-Y1008 PolarHBondContact N-O 2.77Å; G995-Y1008 PolarHBondContact O-OH 2.06Å; V996-Y1008 WeakPolarHBondContact CA-OH 3.32Å; C997-Y1008 HydrophobicContact CB-CD1 4.1Å; C997-Y1008 HydrophobicContact CB-CD2 4.27Å; C997-Y1008 HydrophobicContact CB-CE1 4.16Å; C997-Y1008 HydrophobicContact CB-CE2 4.32Å; C997-Y1008 HydrophobicContact CB-CG 4.16Å; C997-Y1008 WeakPolarHBondContact SG-CD1 3.46Å; C997-Y1008 VanDerWaalsContact SG-CE1 3.51Å; D1006-Y1008 WeakPolarHBondContact O-CD2 3.36Å; D1006-Y1008 PolarHBondContact O-N 3.03Å; D1006-Y1008 VanDerWaalsContact O-N 3.1Å; D1006-Y1008 PolarHBondContact OD1-N 3.22Å |
| 1009 | R | 77.6 | Confident | 63.9 | Low | 219 Ų | 219 | 90.7 Ų | 90.7 | 83% | 0.826 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -128.2 | -23.2 | -176.8 | -64.7 | -177.5 | 177 | 177.2 | 1 | 113.4 | H987 D1006 | H987-R1009 PolarHBondContact CD2-O 3.31Å; D1006-R1009 PolarHBondContact OD1-N 3.5Å; D1006-R1009 PolarHBondContact OD2-N 3.21Å |
| 1010 | E | 63.5 | Low | 63 | Low | 77 Ų | 77 | 94.8 Ų | 94.8 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | trans | -139.2 | 127.4 | 180 | -173.3 | 172.9 | -152.4 | 0 | 0 | 111.4 | G1005 D1006 G1007 R1012 | G1005-E1010 CarbonylContact C-O 3.49Å; G1005-E1010 VanDerWaalsContact CA-O 3.29Å; G1005-E1010 WeakPolarHBondContact CA-O 3.37Å; D1006-E1010 PolarHBondContact N-O 3.29Å; D1006-E1010 PolarHBondContact OD1-N 2.76Å; G1007-E1010 PolarHBondContact N-O 2.95Å; G1007-E1010 VanDerWaalsContact N-O 3.13Å; E1010-R1012 HydrophobicContact CG-CG 4.27Å; E1010-R1012 VanDerWaalsContact OE1-CD 3.3Å; E1010-R1012 WeakPolarHBondContact OE1-CD 3.49Å; E1010-R1012 IonicContact OE1-CZ 3.17Å; E1010-R1012 IonicContact OE1-NE 3.88Å; E1010-R1012 IonicContact OE1-NH1 3.15Å; E1010-R1012 PolarHBondContact OE1-NH1 3.17Å; E1010-R1012 IonicContact OE2-CZ 2.74Å; E1010-R1012 IonicContact OE2-NH1 2.88Å; E1010-R1012 PolarHBondContact OE2-NH1 3.41Å; E1010-R1012 IonicContact OE2-NH2 3.56Å | ||
| 1011 | C | 73.1 | Confident | 61.6 | Low | 6 Ų | 6 | 95.2 Ų | 95.2 | 4% | 0.041 | 48% | 0.478 | C | S | . | . | trans | -131.6 | 111 | 152 | -66.4 | 0 | 0 | 0 | 0 | 107.6 | H987 D989 C999 Y1003 | H987-C1011 PolarHBondContact CE1-N 2.78Å; H987-C1011 VanDerWaalsContact CE1-N 3.32Å; H987-C1011 PolarHBondContact CE1-O 2.84Å; H987-C1011 VanDerWaalsContact CE1-O 3.32Å; H987-C1011 WeakPolarHBondContact ND1-CB 3.29Å; H987-C1011 PolarHBondContact ND1-N 2.83Å; H987-C1011 VanDerWaalsContact ND1-N 3.14Å; D989-C1011 HydrophobicContact CB-CB 3.95Å; C999-C1011 WeakPolarHBondContact CA-SG 3.2Å; C999-C1011 HydrophobicContact CB-CB 3.83Å; C999-C1011 WeakPolarHBondContact CB-SG 3.5Å; C999-C1011 VanDerWaalsContact SG-CA 3.56Å; C999-C1011 WeakPolarHBondContact SG-CB 3.37Å; C999-C1011 CovalentContact SG-SG 2.04Å; C999-C1011 PolarHBondContact SG-SG 3.34Å; Y1003-C1011 HydrophobicContact CD1-CB 4.45Å | ||
| 1012 | R | 64.9 | Low | 61.1 | Low | 96 Ų | 96 | 88.9 Ų | 88.9 | 36% | 0.362 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 155.2 | 174.7 | 49.3 | 178.3 | 172.5 | -131.6 | 4 | 109.5 | Y1003 I1004 E1010 | Y1003-R1012 CarbonylContact C-O 3.47Å; Y1003-R1012 VanDerWaalsContact CA-O 3.23Å; Y1003-R1012 WeakPolarHBondContact CA-O 3.18Å; Y1003-R1012 WeakPolarHBondContact CB-O 3.21Å; I1004-R1012 HydrophobicContact CG2-CG 4.44Å; I1004-R1012 PolarHBondContact N-O 3.49Å; I1004-R1012 WeakPolarHBondContact O-CG 3.47Å; I1004-R1012 PolarHBondContact O-N 2.86Å; I1004-R1012 VanDerWaalsContact O-O 3.06Å; E1010-R1012 HydrophobicContact CG-CG 4.27Å; E1010-R1012 VanDerWaalsContact OE1-CD 3.3Å; E1010-R1012 WeakPolarHBondContact OE1-CD 3.49Å; E1010-R1012 IonicContact OE1-CZ 3.17Å; E1010-R1012 IonicContact OE1-NE 3.88Å; E1010-R1012 IonicContact OE1-NH1 3.15Å; E1010-R1012 PolarHBondContact OE1-NH1 3.17Å; E1010-R1012 IonicContact OE2-CZ 2.74Å; E1010-R1012 IonicContact OE2-NH1 2.88Å; E1010-R1012 PolarHBondContact OE2-NH1 3.41Å; E1010-R1012 IonicContact OE2-NH2 3.56Å |
| 1013 | P | 57.8 | Low | 61.7 | Low | 71 Ų | 71 | 94.7 Ų | 94.7 | 46% | 0.461 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 143.6 | 176.2 | -27.5 | 36.2 | 0 | 0 | 0 | 111.6 | Y1003 E1015 | Y1003-P1013 HydrophobicContact CD1-CG 4.32Å; Y1003-P1013 HydrophobicContact CE1-CG 4.04Å; P1013-E1015 HydrophobicContact CB-CG 4.25Å; P1013-E1015 PolarHBondContact O-N 3.37Å |
| 1014 | R | 47.3 | Very low | 61.7 | Low | 179 Ų | 179 | 92.1 Ų | 92.1 | 68% | 0.675 | 45% | 0.451 | S | S | * | . | trans | -77.8 | 66.9 | -180 | -166.9 | 178.6 | -170.9 | -166.7 | 4.7 | 110.4 | G1002 I1004 | G1002-R1014 PolarHBondContact O-N 3.01Å; I1004-R1014 HydrophobicContact CB-CB 4.18Å; I1004-R1014 HydrophobicContact CB-CG 4.06Å; I1004-R1014 HydrophobicContact CD1-CG 4.32Å; I1004-R1014 HydrophobicContact CG2-CB 4.15Å; I1004-R1014 HydrophobicContact CG2-CG 4.16Å | ||
| 1015 | E | 47.4 | Very low | 62.5 | Low | 106 Ų | 106 | 90.3 Ų | 90.3 | 50% | 0.495 | 44% | 0.441 | S | S | . | . | trans | -64.4 | 138.4 | -179.5 | -63.3 | -169.2 | 134.1 | 0 | 0 | 111.4 | P1013 D1017 H1020 H1021 | P1013-E1015 HydrophobicContact CB-CG 4.25Å; P1013-E1015 PolarHBondContact O-N 3.37Å; E1015-D1017 PolarHBondContact O-N 2.66Å; E1015-D1017 VanDerWaalsContact O-N 3.14Å; E1015-H1020 IonicContact OE2-CD2 2.73Å; E1015-H1020 PolarHBondContact OE2-CD2 3.25Å; E1015-H1021 IonicContact OE2-CE1 2.72Å | ||
| 1016 | T | 43.7 | Very low | 62.8 | Low | 150 Ų | 150 | 93.7 Ų | 93.7 | 92% | 0.92 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -87 | 29.8 | -170.2 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1017 | D | 42.4 | Very low | 63 | Low | 93 Ų | 93 | 95.1 Ų | 95.1 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | trans | -127.5 | 103.1 | 173.6 | -177.1 | -11.7 | 0 | 0 | 0 | 108.9 | E1015 C1019 H1020 | E1015-D1017 PolarHBondContact O-N 2.66Å; E1015-D1017 VanDerWaalsContact O-N 3.14Å; D1017-C1019 PolarHBondContact O-N 3.18Å; D1017-C1019 PolarHBondContact OD1-N 3.41Å; D1017-C1019 VanDerWaalsContact OD1-N 3.11Å; D1017-H1020 HydrophobicContact CB-CB 4.26Å; D1017-H1020 PolarHBondContact O-N 3.25Å | ||
| 1018 | L | 50.9 | Low | 63.1 | Low | 120 Ų | 120 | 95.8 Ų | 95.8 | 63% | 0.628 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -9.6 | -173.1 | -114.7 | 67 | 0 | 0 | 0 | 114.2 | I1022 | L1018-I1022 WeakPolarHBondContact O-CD1 3.16Š|
| 1019 | C | 57.7 | Low | 63.1 | Low | 41 Ų | 41 | 96.8 Ų | 96.8 | 28% | 0.277 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -4.6 | 178.3 | -69.7 | 0 | 0 | 0 | 0 | 114.1 | D1017 H1021 I1022 C1030 | D1017-C1019 PolarHBondContact O-N 3.18Å; D1017-C1019 PolarHBondContact OD1-N 3.41Å; D1017-C1019 VanDerWaalsContact OD1-N 3.11Å; C1019-H1021 PolarHBondContact O-N 2.96Å; C1019-H1021 VanDerWaalsContact O-N 3.09Å; C1019-I1022 PolarHBondContact O-N 3.47Å; C1019-C1030 WeakPolarHBondContact CA-SG 3.34Å; C1019-C1030 HydrophobicContact CB-CB 3.74Å; C1019-C1030 WeakPolarHBondContact CB-SG 3.23Å; C1019-C1030 WeakPolarHBondContact SG-CB 3.43Å; C1019-C1030 CovalentContact SG-SG 2.04Å; C1019-C1030 PolarHBondContact SG-SG 3.45Å |
| 1020 | H | 60.6 | Low | 63 | Low | 116 Ų | 116 | 88 Ų | 88 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -23.4 | -167.4 | -158 | 56.9 | 0 | 0 | 0 | 115.1 | E1015 D1017 | E1015-H1020 IonicContact OE2-CD2 2.73Å; E1015-H1020 PolarHBondContact OE2-CD2 3.25Å; D1017-H1020 HydrophobicContact CB-CB 4.26Å; D1017-H1020 PolarHBondContact O-N 3.25Å |
| 1021 | H | 52.4 | Low | 63.2 | Low | 111 Ų | 111 | 91.4 Ų | 91.4 | 51% | 0.514 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 12.1 | -179.8 | -72.4 | 93.7 | 0 | 0 | 0 | 114.1 | E1015 C1019 Q1023 | E1015-H1021 IonicContact OE2-CE1 2.72Å; C1019-H1021 PolarHBondContact O-N 2.96Å; C1019-H1021 VanDerWaalsContact O-N 3.09Å; H1021-Q1023 PolarHBondContact O-N 3.26Å |
| 1022 | I | 54.8 | Low | 62.6 | Low | 43 Ų | 43 | 98.5 Ų | 98.5 | 22% | 0.221 | 49% | 0.493 | C | S | . | . | trans | -91 | 101.4 | -179.9 | -61.1 | -170.4 | 0 | 0 | 0 | 109.7 | L1018 C1019 C1024 G1033 C1035 Y1046 | L1018-I1022 WeakPolarHBondContact O-CD1 3.16Å; C1019-I1022 PolarHBondContact O-N 3.47Å; I1022-C1024 PolarHBondContact O-N 3.25Å; I1022-C1024 VanDerWaalsContact O-N 3.08Å; I1022-G1033 WeakPolarHBondContact CD1-O 3.31Å; I1022-C1035 WeakPolarHBondContact CG2-SG 3.37Å; I1022-Y1046 HydrophobicContact CG2-CE2 3.66Å | ||
| 1023 | Q | 65.9 | Low | 62.5 | Low | 174 Ų | 174 | 94.9 Ų | 94.9 | 81% | 0.813 | 49% | 0.486 | S | S | * | . | trans | -77.7 | 87.4 | 169 | -69.8 | -168.9 | -5.9 | 0 | 0 | 109.9 | H1021 | H1021-Q1023 PolarHBondContact O-N 3.26Š| ||
| 1024 | C | 72.4 | Confident | 62.7 | Low | 29 Ų | 29 | 97.6 Ų | 97.6 | 20% | 0.196 | 49% | 0.492 | C | S | . | . | trans | -64.6 | 158.3 | 165.6 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | I1022 A1028 C1035 G1045 | I1022-C1024 PolarHBondContact O-N 3.25Å; I1022-C1024 VanDerWaalsContact O-N 3.08Å; C1024-A1028 HydrophobicContact CB-CB 3.84Å; C1024-C1035 WeakPolarHBondContact CA-SG 3.26Å; C1024-C1035 HydrophobicContact CB-CB 3.68Å; C1024-C1035 WeakPolarHBondContact CB-SG 3.37Å; C1024-C1035 VanDerWaalsContact SG-CA 3.58Å; C1024-C1035 WeakPolarHBondContact SG-CB 3.48Å; C1024-C1035 CovalentContact SG-SG 2.03Å; C1024-C1035 PolarHBondContact SG-SG 2.84Å; C1024-G1045 WeakPolarHBondContact CA-O 3.25Å; C1024-G1045 WeakPolarHBondContact CB-O 3.5Å | ||
| 1025 | H | 79.6 | Confident | 64.4 | Low | 46 Ų | 46 | 89.7 Ų | 89.7 | 21% | 0.213 | 46% | 0.464 | C | S | . | . | trans | -53.5 | 147.9 | 169.9 | -170.5 | -102 | 0 | 0 | 0 | 110.6 | Y1027 A1028 G1045 Y1046 Y1047 C1049 | H1025-Y1027 AromaticContact CE1-CD2 3.81Å; H1025-Y1027 PolarHBondContact O-N 2.84Å; H1025-A1028 HydrophobicContact CB-CB 4.42Å; H1025-A1028 PolarHBondContact O-N 3.28Å; H1025-G1045 PolarHBondContact N-O 2.9Å; H1025-Y1046 PolarHBondContact N-O 3.23Å; H1025-Y1047 PolarHBondContact CD2-O 3.18Å; H1025-Y1047 VanDerWaalsContact CD2-O 3.26Å; H1025-C1049 HydrophobicContact CB-CB 4.44Å; H1025-C1049 PolarHBondContact CE1-N 2.77Å; H1025-C1049 PolarHBondContact CE1-O 2.86Å; H1025-C1049 WeakPolarHBondContact ND1-CB 3.2Å; H1025-C1049 PolarHBondContact ND1-N 3.06Å; H1025-C1049 VanDerWaalsContact ND1-N 3.11Å; H1025-C1049 PolarHBondContact ND1-O 3.26Å | ||
| 1026 | P | 76.4 | Confident | 65.9 | Low | 109 Ų | 109 | 89.1 Ų | 89.1 | 71% | 0.708 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.7 | -177.3 | -29.5 | 37.3 | 0 | 0 | 0 | 116 | ||
| 1027 | Y | 78.2 | Confident | 67.5 | Low | 109 Ų | 109 | 83.5 Ų | 83.5 | 43% | 0.427 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 33.4 | 173.1 | -52.8 | -60.4 | 0 | 0 | 0 | 113.3 | H1025 C1037 I1038 Y1041 | H1025-Y1027 AromaticContact CE1-CD2 3.81Å; H1025-Y1027 PolarHBondContact O-N 2.84Å; Y1027-C1037 CarbonylContact O-C 3.55Å; Y1027-C1037 VanDerWaalsContact O-CA 3.31Å; Y1027-C1037 WeakPolarHBondContact O-CA 3.43Å; Y1027-I1038 WeakPolarHBondContact O-CG1 3.42Å; Y1027-I1038 PolarHBondContact O-N 2.79Å; Y1027-Y1041 VanDerWaalsContact CB-CD1 3.42Å; Y1027-Y1041 HydrophobicContact CD1-CD1 4.48Å; Y1027-Y1041 AromaticContact CD1-CE1 3.79Å; Y1027-Y1041 HydrophobicContact CD1-CE1 3.79Å; Y1027-Y1041 HydrophobicContact CD1-CE2 4.29Å; Y1027-Y1041 AromaticContact CD1-CZ 3.67Å; Y1027-Y1041 AromaticContact CD2-CD1 3.83Å; Y1027-Y1041 HydrophobicContact CD2-CD1 3.83Å; Y1027-Y1041 AromaticContact CD2-CE1 3.31Å; Y1027-Y1041 HydrophobicContact CD2-CE1 3.31Å; Y1027-Y1041 HydrophobicContact CE1-CE1 4.27Å; Y1027-Y1041 AromaticContact CE2-CE1 3.84Å; Y1027-Y1041 HydrophobicContact CE2-CE1 3.84Å; Y1027-Y1041 AromaticContact CG-CD1 3.68Å; Y1027-Y1041 HydrophobicContact CG-CD1 3.68Å; Y1027-Y1041 AromaticContact CG-CE1 3.27Å; Y1027-Y1041 HydrophobicContact CG-CE1 3.27Å; Y1027-Y1041 HydrophobicContact CG-CE2 4.38Å; Y1027-Y1041 HydrophobicContact CG-CG 4.41Å; Y1027-Y1041 AromaticContact CG-CZ 3.68Å |
| 1028 | A | 81.8 | Confident | 69.4 | Low | 15 Ų | 15 | 82 Ų | 82 | 12% | 0.124 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 160.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1024 H1025 C1035 H1036 G1045 | C1024-A1028 HydrophobicContact CB-CB 3.84Å; H1025-A1028 HydrophobicContact CB-CB 4.42Å; H1025-A1028 PolarHBondContact O-N 3.28Å; A1028-C1035 HydrophobicContact CB-CB 4.3Å; A1028-H1036 CarbonylContact C-O 3.55Å; A1028-H1036 WeakPolarHBondContact CA-O 3.37Å; A1028-H1036 WeakPolarHBondContact CB-O 3.3Å; A1028-G1045 VanDerWaalsContact CB-O 3.26Å; A1028-G1045 WeakPolarHBondContact CB-O 3.11Å |
| 1029 | Q | 76.4 | Confident | 69.8 | Low | 123 Ų | 123 | 85.9 Ų | 85.9 | 58% | 0.575 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.8 | 175.2 | -65.9 | -178.9 | -2.2 | 0 | 0 | 109.7 | H1036 I1038 | Q1029-H1036 PolarHBondContact N-O 3.27Å; Q1029-H1036 PolarHBondContact O-N 3.05Å; Q1029-I1038 HydrophobicContact CG-CG2 4.15Å |
| 1030 | C | 75.9 | Confident | 69.5 | Low | 35 Ų | 35 | 85.8 Ų | 85.8 | 24% | 0.236 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.8 | 172.7 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | C1019 Q1034 | C1019-C1030 WeakPolarHBondContact CA-SG 3.34Å; C1019-C1030 HydrophobicContact CB-CB 3.74Å; C1019-C1030 WeakPolarHBondContact CB-SG 3.23Å; C1019-C1030 WeakPolarHBondContact SG-CB 3.43Å; C1019-C1030 CovalentContact SG-SG 2.04Å; C1019-C1030 PolarHBondContact SG-SG 3.45Å; C1030-Q1034 CarbonylContact C-O 3.52Å; C1030-Q1034 WeakPolarHBondContact CA-O 3.48Å |
| 1031 | K | 67.6 | Low | 69.9 | Low | 148 Ų | 148 | 83.4 Ų | 83.4 | 64% | 0.643 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 122.9 | 174.2 | -119.9 | -178.9 | -177.8 | 179.5 | 0 | 107.9 | G1033 Q1034 | K1031-G1033 PolarHBondContact O-N 3.28Å; K1031-Q1034 PolarHBondContact N-O 3.42Å; K1031-Q1034 PolarHBondContact O-N 2.92Å |
| 1032 | N | 60 | Low | 70.4 | Confident | 155 Ų | 155 | 82.2 Ų | 82.2 | 83% | 0.829 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 34.4 | -176.7 | -66.6 | 4.3 | 0 | 0 | 0 | 114.4 | Q1034 | N1032-Q1034 VanDerWaalsContact C-N 3.34Å; N1032-Q1034 PolarHBondContact O-N 3.39Å |
| 1033 | G | 62.8 | Low | 71.4 | Confident | 20 Ų | 20 | 81.9 Ų | 81.9 | 21% | 0.206 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -0.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I1022 K1031 | I1022-G1033 WeakPolarHBondContact CD1-O 3.31Å; K1031-G1033 PolarHBondContact O-N 3.28Å |
| 1034 | Q | 62.7 | Low | 71.7 | Confident | 128 Ų | 128 | 77.8 Ų | 77.8 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 142.4 | 168.2 | -82.4 | -174.8 | -19.6 | 0 | 0 | 111.1 | C1030 K1031 N1032 | C1030-Q1034 CarbonylContact C-O 3.52Å; C1030-Q1034 WeakPolarHBondContact CA-O 3.48Å; K1031-Q1034 PolarHBondContact N-O 3.42Å; K1031-Q1034 PolarHBondContact O-N 2.92Å; N1032-Q1034 VanDerWaalsContact C-N 3.34Å; N1032-Q1034 PolarHBondContact O-N 3.39Å |
| 1035 | C | 83.7 | Confident | 72 | Confident | 12 Ų | 12 | 76.4 Ų | 76.4 | 8% | 0.081 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.6 | 170.7 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | I1022 C1024 A1028 G1045 Y1046 | I1022-C1035 WeakPolarHBondContact CG2-SG 3.37Å; C1024-C1035 WeakPolarHBondContact CA-SG 3.26Å; C1024-C1035 HydrophobicContact CB-CB 3.68Å; C1024-C1035 WeakPolarHBondContact CB-SG 3.37Å; C1024-C1035 VanDerWaalsContact SG-CA 3.58Å; C1024-C1035 WeakPolarHBondContact SG-CB 3.48Å; C1024-C1035 CovalentContact SG-SG 2.03Å; C1024-C1035 PolarHBondContact SG-SG 2.84Å; A1028-C1035 HydrophobicContact CB-CB 4.3Å; C1035-G1045 WeakPolarHBondContact CB-O 3.07Å; C1035-Y1046 HydrophobicContact CB-CD2 4.42Å |
| 1036 | H | 77.7 | Confident | 71.7 | Confident | 95 Ų | 95 | 79 Ų | 79 | 44% | 0.44 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.5 | 171.1 | -60.9 | -75 | 0 | 0 | 0 | 109.8 | A1028 Q1029 | A1028-H1036 CarbonylContact C-O 3.55Å; A1028-H1036 WeakPolarHBondContact CA-O 3.37Å; A1028-H1036 WeakPolarHBondContact CB-O 3.3Å; Q1029-H1036 PolarHBondContact N-O 3.27Å; Q1029-H1036 PolarHBondContact O-N 3.05Å |
| 1037 | C | 78.5 | Confident | 71.6 | Confident | 31 Ų | 31 | 82.8 Ų | 82.8 | 21% | 0.209 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 140.6 | 172.1 | -58.2 | 0 | 0 | 0 | 0 | 111 | Y1027 I1042 G1043 C1049 | Y1027-C1037 CarbonylContact O-C 3.55Å; Y1027-C1037 VanDerWaalsContact O-CA 3.31Å; Y1027-C1037 WeakPolarHBondContact O-CA 3.43Å; C1037-I1042 VanDerWaalsContact SG-C 3.55Å; C1037-G1043 PolarHBondContact SG-N 2.89Å; C1037-G1043 VanDerWaalsContact SG-N 3.38Å; C1037-C1049 WeakPolarHBondContact CA-SG 3.28Å; C1037-C1049 HydrophobicContact CB-CB 3.82Å; C1037-C1049 WeakPolarHBondContact CB-SG 3.09Å; C1037-C1049 WeakPolarHBondContact SG-CB 3.28Å; C1037-C1049 CovalentContact SG-SG 2.03Å; C1037-C1049 PolarHBondContact SG-SG 3.11Å |
| 1038 | I | 82.3 | Confident | 70.6 | Confident | 63 Ų | 63 | 80.5 Ų | 80.5 | 32% | 0.323 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 159.4 | 176.3 | 7.7 | 177 | 0 | 0 | 0 | 111.1 | Y1027 Q1029 G1040 Y1041 | Y1027-I1038 WeakPolarHBondContact O-CG1 3.42Å; Y1027-I1038 PolarHBondContact O-N 2.79Å; Q1029-I1038 HydrophobicContact CG-CG2 4.15Å; I1038-G1040 PolarHBondContact O-N 3.2Å; I1038-Y1041 WeakPolarHBondContact O-CB 3.32Å; I1038-Y1041 PolarHBondContact O-N 3.31Å |
| 1039 | E | 58.7 | Low | 69.8 | Low | 200 Ų | 200 | 79.8 Ų | 79.8 | 94% | 0.935 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 126.8 | 179.7 | -170.8 | 170.1 | -144.3 | 0 | 0 | 111.3 | ||
| 1040 | G | 51.6 | Low | 69 | Low | 40 Ų | 40 | 76.7 Ų | 76.7 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -0.3 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1038 R1052 | I1038-G1040 PolarHBondContact O-N 3.2Å; G1040-R1052 WeakPolarHBondContact O-CB 3.03Å; G1040-R1052 PolarHBondContact O-N 3Å |
| 1041 | Y | 68.1 | Low | 67.9 | Low | 66 Ų | 66 | 78.6 Ų | 78.6 | 26% | 0.259 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 161 | 176.5 | -69.4 | -104.7 | 0 | 0 | 0 | 112.1 | Y1027 I1038 C1049 H1050 V1051 | Y1027-Y1041 VanDerWaalsContact CB-CD1 3.42Å; Y1027-Y1041 HydrophobicContact CD1-CD1 4.48Å; Y1027-Y1041 AromaticContact CD1-CE1 3.79Å; Y1027-Y1041 HydrophobicContact CD1-CE1 3.79Å; Y1027-Y1041 HydrophobicContact CD1-CE2 4.29Å; Y1027-Y1041 AromaticContact CD1-CZ 3.67Å; Y1027-Y1041 AromaticContact CD2-CD1 3.83Å; Y1027-Y1041 HydrophobicContact CD2-CD1 3.83Å; Y1027-Y1041 AromaticContact CD2-CE1 3.31Å; Y1027-Y1041 HydrophobicContact CD2-CE1 3.31Å; Y1027-Y1041 HydrophobicContact CE1-CE1 4.27Å; Y1027-Y1041 AromaticContact CE2-CE1 3.84Å; Y1027-Y1041 HydrophobicContact CE2-CE1 3.84Å; Y1027-Y1041 AromaticContact CG-CD1 3.68Å; Y1027-Y1041 HydrophobicContact CG-CD1 3.68Å; Y1027-Y1041 AromaticContact CG-CE1 3.27Å; Y1027-Y1041 HydrophobicContact CG-CE1 3.27Å; Y1027-Y1041 HydrophobicContact CG-CE2 4.38Å; Y1027-Y1041 HydrophobicContact CG-CG 4.41Å; Y1027-Y1041 AromaticContact CG-CZ 3.68Å; I1038-Y1041 WeakPolarHBondContact O-CB 3.32Å; I1038-Y1041 PolarHBondContact O-N 3.31Å; Y1041-C1049 HydrophobicContact CD1-CB 4.49Å; Y1041-C1049 WeakPolarHBondContact CD1-O 3.42Å; Y1041-H1050 CarbonylContact C-O 3.44Å; Y1041-H1050 VanDerWaalsContact CA-O 3.24Å; Y1041-H1050 WeakPolarHBondContact CA-O 3.19Å; Y1041-H1050 VanDerWaalsContact CB-O 3.31Å; Y1041-H1050 WeakPolarHBondContact CB-O 3.36Å; Y1041-H1050 VanDerWaalsContact CD1-O 3.24Å; Y1041-H1050 WeakPolarHBondContact CD1-O 3.44Å; Y1041-V1051 HydrophobicContact CD1-CB 4.5Å; Y1041-V1051 HydrophobicContact CD1-CG2 4.16Å; Y1041-V1051 HydrophobicContact CE1-CB 4.29Å; Y1041-V1051 HydrophobicContact CE1-CG2 3.49Å; Y1041-V1051 VanDerWaalsContact CE1-CG2 3.49Å |
| 1042 | I | 64.1 | Low | 66.9 | Low | 85 Ų | 85 | 80.3 Ų | 80.3 | 44% | 0.436 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 146.7 | 178.2 | 177.6 | 170.9 | 0 | 0 | 0 | 109.3 | C1037 C1049 H1050 R1052 | C1037-I1042 VanDerWaalsContact SG-C 3.55Å; I1042-C1049 CarbonylContact O-C 3.59Å; I1042-C1049 WeakPolarHBondContact O-CA 3.41Å; I1042-H1050 PolarHBondContact N-O 2.84Å; I1042-H1050 PolarHBondContact O-CE1 3.45Å; I1042-H1050 PolarHBondContact O-N 2.03Å; I1042-H1050 PolarHBondContact O-ND1 2.81Å; I1042-H1050 VanDerWaalsContact O-O 3.11Å; I1042-R1052 HydrophobicContact CG2-CB 4.2Å; I1042-R1052 HydrophobicContact CG2-CG 4.12Å |
| 1043 | G | 75.7 | Confident | 66.5 | Low | 36 Ų | 36 | 76.7 Ų | 76.7 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 152.8 | -169.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C1037 D1048 | C1037-G1043 PolarHBondContact SG-N 2.89Å; C1037-G1043 VanDerWaalsContact SG-N 3.38Å; G1043-D1048 CarbonylContact C-O 3.57Å; G1043-D1048 VanDerWaalsContact CA-O 3.28Å; G1043-D1048 WeakPolarHBondContact CA-O 3.2Å |
| 1044 | D | 72.4 | Confident | 66.1 | Low | 89 Ų | 89 | 79.4 Ų | 79.4 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | trans | -82.6 | -9.9 | 179.7 | 74.1 | -1.2 | 0 | 0 | 0 | 114 | Y1046 Y1047 D1048 | D1044-Y1046 PolarHBondContact O-N 3.42Å; D1044-Y1046 PolarHBondContact OD1-N 2.98Å; D1044-Y1047 PolarHBondContact OD1-N 3.32Å; D1044-D1048 PolarHBondContact N-O 3.23Å; D1044-D1048 PolarHBondContact OD1-N 2.8Å | ||
| 1045 | G | 77.2 | Confident | 65.9 | Low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 83.7 | -19.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C1024 H1025 A1028 C1035 D1048 C1049 | C1024-G1045 WeakPolarHBondContact CA-O 3.25Å; C1024-G1045 WeakPolarHBondContact CB-O 3.5Å; H1025-G1045 PolarHBondContact N-O 2.9Å; A1028-G1045 VanDerWaalsContact CB-O 3.26Å; A1028-G1045 WeakPolarHBondContact CB-O 3.11Å; C1035-G1045 WeakPolarHBondContact CB-O 3.07Å; G1045-D1048 PolarHBondContact N-O 2.74Å; G1045-C1049 WeakPolarHBondContact CA-SG 3.45Å |
| 1046 | Y | 73.3 | Confident | 64.5 | Low | 101 Ų | 101 | 77.2 Ų | 77.2 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -109.2 | -52.1 | -164.3 | -139.6 | -76.9 | 0 | 0 | 0 | 111.7 | I1022 H1025 C1035 D1044 | I1022-Y1046 HydrophobicContact CG2-CE2 3.66Å; H1025-Y1046 PolarHBondContact N-O 3.23Å; C1035-Y1046 HydrophobicContact CB-CD2 4.42Å; D1044-Y1046 PolarHBondContact O-N 3.42Å; D1044-Y1046 PolarHBondContact OD1-N 2.98Å |
| 1047 | Y | 74.5 | Confident | 63.4 | Low | 187 Ų | 187 | 76.3 Ų | 76.3 | 73% | 0.733 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -110.9 | -21.8 | 174.8 | -62.3 | -73.6 | 0 | 0 | 0 | 112.4 | H1025 D1044 | H1025-Y1047 PolarHBondContact CD2-O 3.18Å; H1025-Y1047 VanDerWaalsContact CD2-O 3.26Å; D1044-Y1047 PolarHBondContact OD1-N 3.32Å |
| 1048 | D | 56.9 | Low | 62.5 | Low | 61 Ų | 61 | 76.9 Ų | 76.9 | 33% | 0.326 | 41% | 0.412 | S | S | . | . | trans | -138 | 126.4 | -175.8 | -179.4 | 23.7 | 0 | 0 | 0 | 111.6 | G1043 D1044 G1045 H1050 | G1043-D1048 CarbonylContact C-O 3.57Å; G1043-D1048 VanDerWaalsContact CA-O 3.28Å; G1043-D1048 WeakPolarHBondContact CA-O 3.2Å; D1044-D1048 PolarHBondContact N-O 3.23Å; D1044-D1048 PolarHBondContact OD1-N 2.8Å; G1045-D1048 PolarHBondContact N-O 2.74Å; D1048-H1050 IonicContact OD1-CE1 2.65Å; D1048-H1050 IonicContact OD1-CG 3.32Å; D1048-H1050 PolarHBondContact OD1-N 3.38Å; D1048-H1050 VanDerWaalsContact OD1-N 3.09Å; D1048-H1050 IonicContact OD1-ND1 3.38Å; D1048-H1050 PolarHBondContact OD1-ND1 2.95Å; D1048-H1050 IonicContact OD2-CE1 2.78Å; D1048-H1050 PolarHBondContact OD2-CE1 2.83Å; D1048-H1050 IonicContact OD2-ND1 3.16Å; D1048-H1050 PolarHBondContact OD2-ND1 3.46Å | ||
| 1049 | C | 65.5 | Low | 61.6 | Low | 1 Ų | 1 | 82.3 Ų | 82.3 | 1% | 0.007 | 43% | 0.433 | C | S | . | . | trans | -143.1 | 95.9 | 149.1 | -69.2 | 0 | 0 | 0 | 0 | 107.2 | H1025 C1037 Y1041 I1042 G1045 | H1025-C1049 HydrophobicContact CB-CB 4.44Å; H1025-C1049 PolarHBondContact CE1-N 2.77Å; H1025-C1049 PolarHBondContact CE1-O 2.86Å; H1025-C1049 WeakPolarHBondContact ND1-CB 3.2Å; H1025-C1049 PolarHBondContact ND1-N 3.06Å; H1025-C1049 VanDerWaalsContact ND1-N 3.11Å; H1025-C1049 PolarHBondContact ND1-O 3.26Å; C1037-C1049 WeakPolarHBondContact CA-SG 3.28Å; C1037-C1049 HydrophobicContact CB-CB 3.82Å; C1037-C1049 WeakPolarHBondContact CB-SG 3.09Å; C1037-C1049 WeakPolarHBondContact SG-CB 3.28Å; C1037-C1049 CovalentContact SG-SG 2.03Å; C1037-C1049 PolarHBondContact SG-SG 3.11Å; Y1041-C1049 HydrophobicContact CD1-CB 4.49Å; Y1041-C1049 WeakPolarHBondContact CD1-O 3.42Å; I1042-C1049 CarbonylContact O-C 3.59Å; I1042-C1049 WeakPolarHBondContact O-CA 3.41Å; G1045-C1049 WeakPolarHBondContact CA-SG 3.45Å | ||
| 1050 | H | 60.2 | Low | 62.5 | Low | 57 Ų | 57 | 74.4 Ų | 74.4 | 26% | 0.264 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 160.4 | 166.1 | 47.2 | -82.4 | 0 | 0 | 0 | 110 | Y1041 I1042 D1048 T1056 | Y1041-H1050 CarbonylContact C-O 3.44Å; Y1041-H1050 VanDerWaalsContact CA-O 3.24Å; Y1041-H1050 WeakPolarHBondContact CA-O 3.19Å; Y1041-H1050 VanDerWaalsContact CB-O 3.31Å; Y1041-H1050 WeakPolarHBondContact CB-O 3.36Å; Y1041-H1050 VanDerWaalsContact CD1-O 3.24Å; Y1041-H1050 WeakPolarHBondContact CD1-O 3.44Å; I1042-H1050 PolarHBondContact N-O 2.84Å; I1042-H1050 PolarHBondContact O-CE1 3.45Å; I1042-H1050 PolarHBondContact O-N 2.03Å; I1042-H1050 PolarHBondContact O-ND1 2.81Å; I1042-H1050 VanDerWaalsContact O-O 3.11Å; D1048-H1050 IonicContact OD1-CE1 2.65Å; D1048-H1050 IonicContact OD1-CG 3.32Å; D1048-H1050 PolarHBondContact OD1-N 3.38Å; D1048-H1050 VanDerWaalsContact OD1-N 3.09Å; D1048-H1050 IonicContact OD1-ND1 3.38Å; D1048-H1050 PolarHBondContact OD1-ND1 2.95Å; D1048-H1050 IonicContact OD2-CE1 2.78Å; D1048-H1050 PolarHBondContact OD2-CE1 2.83Å; D1048-H1050 IonicContact OD2-ND1 3.16Å; D1048-H1050 PolarHBondContact OD2-ND1 3.46Å; H1050-T1056 PolarHBondContact CD2-OG1 3.49Å |
| 1051 | V | 52.4 | Low | 64 | Low | 75 Ų | 75 | 75.4 Ų | 75.4 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 150.5 | 171 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | Y1041 D1053 | Y1041-V1051 HydrophobicContact CD1-CB 4.5Å; Y1041-V1051 HydrophobicContact CD1-CG2 4.16Å; Y1041-V1051 HydrophobicContact CE1-CB 4.29Å; Y1041-V1051 HydrophobicContact CE1-CG2 3.49Å; Y1041-V1051 VanDerWaalsContact CE1-CG2 3.49Å; V1051-D1053 HydrophobicContact CB-CB 4.37Å; V1051-D1053 HydrophobicContact CG1-CB 4.33Å; V1051-D1053 PolarHBondContact O-N 2.82Å |
| 1052 | R | 47.4 | Very low | 64.6 | Low | 185 Ų | 185 | 79.8 Ų | 79.8 | 70% | 0.698 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -71.2 | 44.1 | 167.9 | -156.4 | -171.8 | -162.3 | -172.9 | 7.9 | 111.7 | G1040 I1042 P1054 | G1040-R1052 WeakPolarHBondContact O-CB 3.03Å; G1040-R1052 PolarHBondContact O-N 3Å; I1042-R1052 HydrophobicContact CG2-CB 4.2Å; I1042-R1052 HydrophobicContact CG2-CG 4.12Å; R1052-P1054 WeakPolarHBondContact O-CD 3.33Å |
| 1053 | D | 51.6 | Low | 65.5 | Low | 78 Ų | 78 | 80.4 Ų | 80.4 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | trans | -76.6 | 109.4 | 163.8 | -175.5 | -5.8 | 0 | 0 | 0 | 107.1 | V1051 C1055 T1056 | V1051-D1053 HydrophobicContact CB-CB 4.37Å; V1051-D1053 HydrophobicContact CG1-CB 4.33Å; V1051-D1053 PolarHBondContact O-N 2.82Å; D1053-C1055 PolarHBondContact O-N 3.17Å; D1053-C1055 WeakPolarHBondContact OD1-CB 3.01Å; D1053-C1055 PolarHBondContact OD1-N 3.5Å; D1053-C1055 VanDerWaalsContact OD1-N 3.1Å; D1053-C1055 PolarHBondContact OD1-SG 2.94Å; D1053-T1056 PolarHBondContact O-N 2.95Å; D1053-T1056 PolarHBondContact O-OG1 3.49Å | ||
| 1054 | P | 53.5 | Low | 65.8 | Low | 77 Ų | 77 | 79.4 Ų | 79.4 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -1.3 | -176.3 | -8.8 | 25 | 0 | 0 | 0 | 112.9 | R1052 T1056 G1069 | R1052-P1054 WeakPolarHBondContact O-CD 3.33Å; P1054-T1056 VanDerWaalsContact C-N 3.31Å; P1054-G1069 VanDerWaalsContact C-CA 3.42Å; P1054-G1069 WeakPolarHBondContact O-CA 3.18Å |
| 1055 | C | 59.5 | Low | 66.1 | Low | 16 Ų | 16 | 79.6 Ų | 79.6 | 11% | 0.108 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6 | 173.2 | -66.4 | 0 | 0 | 0 | 0 | 115.2 | D1053 G1057 V1058 C1066 I1067 G1069 | D1053-C1055 PolarHBondContact O-N 3.17Å; D1053-C1055 WeakPolarHBondContact OD1-CB 3.01Å; D1053-C1055 PolarHBondContact OD1-N 3.5Å; D1053-C1055 VanDerWaalsContact OD1-N 3.1Å; D1053-C1055 PolarHBondContact OD1-SG 2.94Å; C1055-G1057 PolarHBondContact O-N 2.88Å; C1055-V1058 WeakPolarHBondContact O-CB 3.46Å; C1055-V1058 PolarHBondContact O-N 2.85Å; C1055-C1066 WeakPolarHBondContact CA-SG 3.29Å; C1055-C1066 HydrophobicContact CB-CB 3.49Å; C1055-C1066 VanDerWaalsContact CB-CB 3.49Å; C1055-C1066 WeakPolarHBondContact CB-SG 3.41Å; C1055-C1066 WeakPolarHBondContact SG-CB 3.3Å; C1055-C1066 PolarHBondContact SG-O 2.72Å; C1055-C1066 VanDerWaalsContact SG-O 3.41Å; C1055-C1066 CovalentContact SG-SG 2.02Å; C1055-C1066 PolarHBondContact SG-SG 3.08Å; C1055-I1067 PolarHBondContact SG-N 2.04Å; C1055-G1069 PolarHBondContact SG-N 3.36Å |
| 1056 | T | 54.1 | Low | 66 | Low | 78 Ų | 78 | 81.3 Ų | 81.3 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 111.8 | -179.5 | -51.8 | 0 | 0 | 0 | 0 | 111 | H1050 D1053 P1054 | H1050-T1056 PolarHBondContact CD2-OG1 3.49Å; D1053-T1056 PolarHBondContact O-N 2.95Å; D1053-T1056 PolarHBondContact O-OG1 3.49Å; P1054-T1056 VanDerWaalsContact C-N 3.31Å |
| 1057 | G | 53.3 | Low | 66 | Low | 77 Ų | 77 | 80 Ų | 80 | 79% | 0.794 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -7.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C1055 K1059 | C1055-G1057 PolarHBondContact O-N 2.88Å; G1057-K1059 PolarHBondContact O-N 2.67Å |
| 1058 | V | 60.7 | Low | 65.2 | Low | 43 Ų | 43 | 75.7 Ų | 75.7 | 26% | 0.261 | 41% | 0.409 | S | S | . | . | trans | -79.8 | 111.7 | 179.9 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | C1055 C1071 Y1082 | C1055-V1058 WeakPolarHBondContact O-CB 3.46Å; C1055-V1058 PolarHBondContact O-N 2.85Å; V1058-C1071 VanDerWaalsContact CG1-SG 3.52Å; V1058-Y1082 HydrophobicContact CG1-CD2 4.46Å; V1058-Y1082 HydrophobicContact CG1-CE2 4.13Å | ||
| 1059 | K | 62.3 | Low | 65.5 | Low | 176 Ų | 176 | 74.3 Ų | 74.3 | 77% | 0.765 | 41% | 0.409 | S | S | * | . | trans | -89.8 | 107.7 | 173.2 | -71.3 | -175.2 | 179.5 | 179 | 0 | 110.1 | G1057 | G1057-K1059 PolarHBondContact O-N 2.67Š| ||
| 1060 | C | 77.2 | Confident | 65.4 | Low | 35 Ų | 35 | 82.8 Ų | 82.8 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | trans | -87.9 | 167.5 | 173.9 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | G1064 C1071 G1081 | C1060-G1064 WeakPolarHBondContact CB-O 3.2Å; C1060-C1071 WeakPolarHBondContact CA-SG 3Å; C1060-C1071 HydrophobicContact CB-CB 3.79Å; C1060-C1071 WeakPolarHBondContact CB-SG 3.31Å; C1060-C1071 VanDerWaalsContact SG-CA 3.55Å; C1060-C1071 WeakPolarHBondContact SG-CB 3.34Å; C1060-C1071 CovalentContact SG-SG 2.04Å; C1060-C1071 PolarHBondContact SG-SG 2.73Å; C1060-G1081 WeakPolarHBondContact CA-O 3.26Å; C1060-G1081 VanDerWaalsContact CB-O 3.31Å; C1060-G1081 WeakPolarHBondContact CB-O 3.24Å | ||
| 1061 | H | 85.1 | Confident | 66.5 | Low | 61 Ų | 61 | 80.3 Ų | 80.3 | 28% | 0.282 | 43% | 0.43 | S | S | . | . | trans | -61 | 161.9 | 170.3 | -177.8 | -115.9 | 0 | 0 | 0 | 111.3 | Y1063 G1064 G1081 Y1082 Y1083 C1085 | H1061-Y1063 AromaticContact CE1-CD2 3.93Å; H1061-Y1063 PolarHBondContact O-N 2.91Å; H1061-Y1063 VanDerWaalsContact O-N 3.12Å; H1061-G1064 PolarHBondContact O-N 3.21Å; H1061-G1081 PolarHBondContact N-O 2.95Å; H1061-Y1082 PolarHBondContact N-O 2.96Å; H1061-Y1083 PolarHBondContact CD2-O 2.82Å; H1061-C1085 PolarHBondContact CE1-O 2.82Å; H1061-C1085 WeakPolarHBondContact ND1-CB 3.3Å; H1061-C1085 PolarHBondContact ND1-N 3.42Å; H1061-C1085 VanDerWaalsContact ND1-N 3.11Å | ||
| 1062 | H | 80.7 | Confident | 67.8 | Low | 157 Ų | 157 | 80.7 Ų | 80.7 | 73% | 0.727 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.1 | -175.7 | -167.4 | 101.8 | 0 | 0 | 0 | 113.5 | ||
| 1063 | Y | 82 | Confident | 69.4 | Low | 98 Ų | 98 | 73.2 Ų | 73.2 | 38% | 0.384 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 24.6 | 173.8 | -52.7 | -67.5 | 0 | 0 | 0 | 113.3 | H1061 C1073 L1074 Y1077 C1085 | H1061-Y1063 AromaticContact CE1-CD2 3.93Å; H1061-Y1063 PolarHBondContact O-N 2.91Å; H1061-Y1063 VanDerWaalsContact O-N 3.12Å; Y1063-C1073 WeakPolarHBondContact O-CA 3.19Å; Y1063-L1074 WeakPolarHBondContact O-CB 3.43Å; Y1063-L1074 WeakPolarHBondContact O-CG 3.42Å; Y1063-L1074 PolarHBondContact O-N 3.39Å; Y1063-Y1077 HydrophobicContact CD1-CD1 4.43Å; Y1063-Y1077 HydrophobicContact CD1-CD2 4.48Å; Y1063-Y1077 AromaticContact CD1-CE1 3.94Å; Y1063-Y1077 HydrophobicContact CD1-CE1 3.94Å; Y1063-Y1077 AromaticContact CD1-CE2 3.99Å; Y1063-Y1077 HydrophobicContact CD1-CE2 3.99Å; Y1063-Y1077 AromaticContact CD1-CZ 3.76Å; Y1063-Y1077 AromaticContact CD2-CD1 3.95Å; Y1063-Y1077 HydrophobicContact CD2-CD1 3.95Å; Y1063-Y1077 AromaticContact CD2-CE1 3.71Å; Y1063-Y1077 HydrophobicContact CD2-CE1 3.71Å; Y1063-Y1077 HydrophobicContact CE1-CE1 4.27Å; Y1063-Y1077 HydrophobicContact CE2-CE1 4.06Å; Y1063-Y1077 AromaticContact CG-CD1 3.8Å; Y1063-Y1077 HydrophobicContact CG-CD1 3.8Å; Y1063-Y1077 HydrophobicContact CG-CD2 4.39Å; Y1063-Y1077 AromaticContact CG-CE1 3.65Å; Y1063-Y1077 HydrophobicContact CG-CE1 3.65Å; Y1063-Y1077 HydrophobicContact CG-CE2 4.26Å; Y1063-Y1077 HydrophobicContact CG-CG 4.23Å; Y1063-Y1077 AromaticContact CG-CZ 3.96Å; Y1063-C1085 WeakPolarHBondContact O-CB 3.02Å; Y1063-C1085 PolarHBondContact O-SG 2.82Å; Y1063-C1085 VanDerWaalsContact O-SG 3.35Å |
| 1064 | G | 82.5 | Confident | 70.8 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 16% | 0.155 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1060 H1061 H1072 | C1060-G1064 WeakPolarHBondContact CB-O 3.2Å; H1061-G1064 PolarHBondContact O-N 3.21Å; G1064-H1072 CarbonylContact C-O 3.56Å; G1064-H1072 WeakPolarHBondContact CA-O 3.44Å |
| 1065 | E | 77.4 | Confident | 71.7 | Confident | 94 Ų | 94 | 81 Ų | 81 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 147.8 | 161.7 | 62.5 | -180 | -120.7 | 0 | 0 | 109.5 | I1067 H1072 L1074 | E1065-I1067 HydrophobicContact CG-CD1 4.36Å; E1065-I1067 HydrophobicContact CG-CG1 4.15Å; E1065-I1067 WeakPolarHBondContact OE1-CD1 3.47Å; E1065-H1072 PolarHBondContact N-O 2.83Å; E1065-H1072 PolarHBondContact O-N 2.9Å; E1065-L1074 HydrophobicContact CB-CD2 3.88Å; E1065-L1074 HydrophobicContact CG-CD2 4.05Å; E1065-L1074 WeakPolarHBondContact OE2-CD2 3.18Å |
| 1066 | C | 75.5 | Confident | 71.7 | Confident | 35 Ų | 35 | 81.6 Ų | 81.6 | 24% | 0.236 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134 | 169.3 | -178 | 0 | 0 | 0 | 0 | 110 | C1055 R1070 | C1055-C1066 WeakPolarHBondContact CA-SG 3.29Å; C1055-C1066 HydrophobicContact CB-CB 3.49Å; C1055-C1066 VanDerWaalsContact CB-CB 3.49Å; C1055-C1066 WeakPolarHBondContact CB-SG 3.41Å; C1055-C1066 WeakPolarHBondContact SG-CB 3.3Å; C1055-C1066 PolarHBondContact SG-O 2.72Å; C1055-C1066 VanDerWaalsContact SG-O 3.41Å; C1055-C1066 CovalentContact SG-SG 2.02Å; C1055-C1066 PolarHBondContact SG-SG 3.08Å; C1066-R1070 WeakPolarHBondContact CA-O 3.14Å; C1066-R1070 PolarHBondContact SG-O 2.9Å |
| 1067 | I | 74.1 | Confident | 72.7 | Confident | 74 Ų | 74 | 80.3 Ų | 80.3 | 38% | 0.379 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.3 | 171.7 | -48 | 176.1 | 0 | 0 | 0 | 107.8 | C1055 E1065 G1069 R1070 H1072 | C1055-I1067 PolarHBondContact SG-N 2.04Å; E1065-I1067 HydrophobicContact CG-CD1 4.36Å; E1065-I1067 HydrophobicContact CG-CG1 4.15Å; E1065-I1067 WeakPolarHBondContact OE1-CD1 3.47Å; I1067-G1069 PolarHBondContact O-N 2.82Å; I1067-G1069 VanDerWaalsContact O-N 3.1Å; I1067-R1070 PolarHBondContact N-O 2.91Å; I1067-R1070 PolarHBondContact O-N 3.02Å; I1067-R1070 VanDerWaalsContact O-O 3.05Å; I1067-H1072 HydrophobicContact CD1-CB 3.87Å; I1067-H1072 HydrophobicContact CG1-CB 4.15Å |
| 1068 | S | 57.8 | Low | 72.9 | Confident | 97 Ų | 97 | 81.4 Ų | 81.4 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 32.2 | 175.2 | -57.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1069 | G | 61.8 | Low | 73.7 | Confident | 31 Ų | 31 | 81.2 Ų | 81.2 | 32% | 0.32 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 4.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1054 C1055 I1067 | P1054-G1069 VanDerWaalsContact C-CA 3.42Å; P1054-G1069 WeakPolarHBondContact O-CA 3.18Å; C1055-G1069 PolarHBondContact SG-N 3.36Å; I1067-G1069 PolarHBondContact O-N 2.82Å; I1067-G1069 VanDerWaalsContact O-N 3.1Å |
| 1070 | R | 64.7 | Low | 74 | Confident | 179 Ų | 179 | 76.7 Ų | 76.7 | 68% | 0.675 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 140.6 | 169.1 | -167.8 | 176.2 | -175 | 145.5 | 4.3 | 109 | C1066 I1067 H1072 | C1066-R1070 WeakPolarHBondContact CA-O 3.14Å; C1066-R1070 PolarHBondContact SG-O 2.9Å; I1067-R1070 PolarHBondContact N-O 2.91Å; I1067-R1070 PolarHBondContact O-N 3.02Å; I1067-R1070 VanDerWaalsContact O-O 3.05Å; R1070-H1072 PolarHBondContact O-CD2 2.99Å |
| 1071 | C | 83 | Confident | 73.9 | Confident | 6 Ų | 6 | 75 Ų | 75 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 138.9 | 169.1 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | V1058 C1060 G1081 | V1058-C1071 VanDerWaalsContact CG1-SG 3.52Å; C1060-C1071 WeakPolarHBondContact CA-SG 3Å; C1060-C1071 HydrophobicContact CB-CB 3.79Å; C1060-C1071 WeakPolarHBondContact CB-SG 3.31Å; C1060-C1071 VanDerWaalsContact SG-CA 3.55Å; C1060-C1071 WeakPolarHBondContact SG-CB 3.34Å; C1060-C1071 CovalentContact SG-SG 2.04Å; C1060-C1071 PolarHBondContact SG-SG 2.73Å; C1071-G1081 VanDerWaalsContact CB-CA 3.46Å; C1071-G1081 WeakPolarHBondContact CB-O 3.37Å |
| 1072 | H | 79 | Confident | 73.5 | Confident | 83 Ų | 83 | 77.2 Ų | 77.2 | 38% | 0.384 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.6 | 178.4 | -79.4 | -88.9 | 0 | 0 | 0 | 108.4 | G1064 E1065 I1067 R1070 | G1064-H1072 CarbonylContact C-O 3.56Å; G1064-H1072 WeakPolarHBondContact CA-O 3.44Å; E1065-H1072 PolarHBondContact N-O 2.83Å; E1065-H1072 PolarHBondContact O-N 2.9Å; I1067-H1072 HydrophobicContact CD1-CB 3.87Å; I1067-H1072 HydrophobicContact CG1-CB 4.15Å; R1070-H1072 PolarHBondContact O-CD2 2.99Å |
| 1073 | C | 81.3 | Confident | 73.3 | Confident | 28 Ų | 28 | 78.4 Ų | 78.4 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 139 | -179.9 | -62 | 0 | 0 | 0 | 0 | 111.9 | Y1063 Y1077 G1079 D1084 C1085 | Y1063-C1073 WeakPolarHBondContact O-CA 3.19Å; C1073-Y1077 VanDerWaalsContact CB-C 3.46Å; C1073-Y1077 WeakPolarHBondContact CB-O 3.45Å; C1073-G1079 PolarHBondContact SG-N 3.17Å; C1073-D1084 PolarHBondContact SG-O 2.82Å; C1073-C1085 WeakPolarHBondContact CA-SG 3.4Å; C1073-C1085 HydrophobicContact CB-CB 3.73Å; C1073-C1085 WeakPolarHBondContact CB-SG 3.09Å; C1073-C1085 WeakPolarHBondContact SG-CA 3.03Å; C1073-C1085 WeakPolarHBondContact SG-CB 3.45Å; C1073-C1085 CovalentContact SG-SG 2.04Å; C1073-C1085 PolarHBondContact SG-SG 3.35Å |
| 1074 | L | 80.5 | Confident | 72.4 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | trans | -54.1 | 151.8 | 178.1 | -72.4 | 176.1 | 0 | 0 | 0 | 110.4 | Y1063 E1065 G1076 Y1077 | Y1063-L1074 WeakPolarHBondContact O-CB 3.43Å; Y1063-L1074 WeakPolarHBondContact O-CG 3.42Å; Y1063-L1074 PolarHBondContact O-N 3.39Å; E1065-L1074 HydrophobicContact CB-CD2 3.88Å; E1065-L1074 HydrophobicContact CG-CD2 4.05Å; E1065-L1074 WeakPolarHBondContact OE2-CD2 3.18Å; L1074-G1076 PolarHBondContact O-N 3.1Å; L1074-Y1077 HydrophobicContact CB-CD2 4.06Å; L1074-Y1077 WeakPolarHBondContact O-CA 3.29Å; L1074-Y1077 WeakPolarHBondContact O-CB 3.2Å; L1074-Y1077 PolarHBondContact O-N 2.87Å | ||
| 1075 | R | 74.2 | Confident | 72.2 | Confident | 257 Ų | 257 | 75.7 Ų | 75.7 | 97% | 0.97 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 111.8 | 179.3 | -168.7 | -175.3 | -165.5 | 179.2 | 6.5 | 111 | ||
| 1076 | G | 58.5 | Low | 71.8 | Confident | 30 Ų | 30 | 78.5 Ų | 78.5 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | 0.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1074 E1087 T1088 | L1074-G1076 PolarHBondContact O-N 3.1Å; G1076-E1087 CarbonylContact O-C 3.34Å; G1076-E1087 WeakPolarHBondContact O-CA 3.48Å; G1076-T1088 WeakPolarHBondContact CA-OG1 3.31Å; G1076-T1088 PolarHBondContact N-OG1 3.37Å; G1076-T1088 PolarHBondContact O-N 3.31Å; G1076-T1088 PolarHBondContact O-OG1 2.91Å |
| 1077 | Y | 74.4 | Confident | 70.9 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 20% | 0.2 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 156.9 | 176.3 | -59.9 | -96.7 | 0 | 0 | 0 | 112.2 | Y1063 C1073 L1074 R1086 E1087 T1088 | Y1063-Y1077 HydrophobicContact CD1-CD1 4.43Å; Y1063-Y1077 HydrophobicContact CD1-CD2 4.48Å; Y1063-Y1077 AromaticContact CD1-CE1 3.94Å; Y1063-Y1077 HydrophobicContact CD1-CE1 3.94Å; Y1063-Y1077 AromaticContact CD1-CE2 3.99Å; Y1063-Y1077 HydrophobicContact CD1-CE2 3.99Å; Y1063-Y1077 AromaticContact CD1-CZ 3.76Å; Y1063-Y1077 AromaticContact CD2-CD1 3.95Å; Y1063-Y1077 HydrophobicContact CD2-CD1 3.95Å; Y1063-Y1077 AromaticContact CD2-CE1 3.71Å; Y1063-Y1077 HydrophobicContact CD2-CE1 3.71Å; Y1063-Y1077 HydrophobicContact CE1-CE1 4.27Å; Y1063-Y1077 HydrophobicContact CE2-CE1 4.06Å; Y1063-Y1077 AromaticContact CG-CD1 3.8Å; Y1063-Y1077 HydrophobicContact CG-CD1 3.8Å; Y1063-Y1077 HydrophobicContact CG-CD2 4.39Å; Y1063-Y1077 AromaticContact CG-CE1 3.65Å; Y1063-Y1077 HydrophobicContact CG-CE1 3.65Å; Y1063-Y1077 HydrophobicContact CG-CE2 4.26Å; Y1063-Y1077 HydrophobicContact CG-CG 4.23Å; Y1063-Y1077 AromaticContact CG-CZ 3.96Å; C1073-Y1077 VanDerWaalsContact CB-C 3.46Å; C1073-Y1077 WeakPolarHBondContact CB-O 3.45Å; L1074-Y1077 HydrophobicContact CB-CD2 4.06Å; L1074-Y1077 WeakPolarHBondContact O-CA 3.29Å; L1074-Y1077 WeakPolarHBondContact O-CB 3.2Å; L1074-Y1077 PolarHBondContact O-N 2.87Å; Y1077-R1086 CarbonylContact C-O 3.49Å; Y1077-R1086 WeakPolarHBondContact CA-O 3.4Å; Y1077-E1087 HydrophobicContact CD1-CG 3.75Å; Y1077-E1087 HydrophobicContact CE1-CB 4.4Å; Y1077-E1087 HydrophobicContact CE1-CG 3.24Å; Y1077-E1087 PolarHBondContact OH-OE1 2.03Å; Y1077-T1088 PolarHBondContact N-OG1 2.84Å |
| 1078 | E | 58.3 | Low | 69.8 | Low | 99 Ų | 99 | 82 Ų | 82 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 157.5 | 171.9 | 50.1 | 177.6 | -143.5 | 0 | 0 | 110.1 | C1085 R1086 T1088 | E1078-C1085 CarbonylContact O-C 3.54Å; E1078-C1085 WeakPolarHBondContact O-CA 3.15Å; E1078-R1086 PolarHBondContact N-O 2.88Å; E1078-R1086 VanDerWaalsContact O-CG 3.25Å; E1078-R1086 WeakPolarHBondContact O-CG 3.4Å; E1078-R1086 PolarHBondContact O-N 3.26Å; E1078-T1088 HydrophobicContact CB-CG2 3.58Å; E1078-T1088 HydrophobicContact CG-CG2 3.68Å |
| 1079 | G | 78 | Confident | 69 | Low | 39 Ų | 39 | 80.7 Ų | 80.7 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 150.5 | -168.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1073 G1081 D1084 | C1073-G1079 PolarHBondContact SG-N 3.17Å; G1079-G1081 VanDerWaalsContact C-N 3.3Å; G1079-D1084 CarbonylContact C-O 3.55Å; G1079-D1084 WeakPolarHBondContact CA-O 3.33Å; G1079-D1084 WeakPolarHBondContact CA-OD2 3.31Å |
| 1080 | D | 67.6 | Low | 68.5 | Low | 82 Ų | 82 | 85.4 Ų | 85.4 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | trans | -80.1 | -12.9 | 177 | 79.4 | -11 | 0 | 0 | 0 | 113.2 | Y1082 Y1083 D1084 | D1080-Y1082 PolarHBondContact O-N 3.33Å; D1080-Y1082 PolarHBondContact OD1-N 3.23Å; D1080-Y1083 PolarHBondContact OD1-N 3.47Å; D1080-D1084 PolarHBondContact N-O 2.78Å; D1080-D1084 VanDerWaalsContact N-O 3.1Å; D1080-D1084 PolarHBondContact OD1-N 2.8Å | ||
| 1081 | G | 76.3 | Confident | 67.7 | Low | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 40% | 0.402 | C | S | . | . | S | Bend | trans | 84.1 | -26.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | C1060 H1061 C1071 G1079 D1084 C1085 | C1060-G1081 WeakPolarHBondContact CA-O 3.26Å; C1060-G1081 VanDerWaalsContact CB-O 3.31Å; C1060-G1081 WeakPolarHBondContact CB-O 3.24Å; H1061-G1081 PolarHBondContact N-O 2.95Å; C1071-G1081 VanDerWaalsContact CB-CA 3.46Å; C1071-G1081 WeakPolarHBondContact CB-O 3.37Å; G1079-G1081 VanDerWaalsContact C-N 3.3Å; G1081-D1084 PolarHBondContact N-O 2.93Å; G1081-C1085 VanDerWaalsContact CA-SG 3.54Å |
| 1082 | Y | 76.3 | Confident | 66 | Low | 107 Ų | 107 | 84.1 Ų | 84.1 | 42% | 0.42 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -99.7 | -42.2 | -166.6 | -156.6 | -78.1 | 0 | 0 | 0 | 111.7 | V1058 H1061 D1080 | V1058-Y1082 HydrophobicContact CG1-CD2 4.46Å; V1058-Y1082 HydrophobicContact CG1-CE2 4.13Å; H1061-Y1082 PolarHBondContact N-O 2.96Å; D1080-Y1082 PolarHBondContact O-N 3.33Å; D1080-Y1082 PolarHBondContact OD1-N 3.23Å |
| 1083 | Y | 76.6 | Confident | 65.4 | Low | 181 Ų | 181 | 82 Ų | 82 | 71% | 0.71 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -121.3 | -27.8 | 176.1 | -62.3 | -71.9 | 0 | 0 | 0 | 113 | H1061 D1080 | H1061-Y1083 PolarHBondContact CD2-O 2.82Å; D1080-Y1083 PolarHBondContact OD1-N 3.47Å |
| 1084 | D | 63.4 | Low | 64.4 | Low | 52 Ų | 52 | 84.1 Ų | 84.1 | 28% | 0.278 | 43% | 0.431 | S | S | . | . | trans | -123.9 | 130 | 179.8 | 176.2 | 35.5 | 0 | 0 | 0 | 111.8 | C1073 G1079 D1080 G1081 R1086 | C1073-D1084 PolarHBondContact SG-O 2.82Å; G1079-D1084 CarbonylContact C-O 3.55Å; G1079-D1084 WeakPolarHBondContact CA-O 3.33Å; G1079-D1084 WeakPolarHBondContact CA-OD2 3.31Å; D1080-D1084 PolarHBondContact N-O 2.78Å; D1080-D1084 VanDerWaalsContact N-O 3.1Å; D1080-D1084 PolarHBondContact OD1-N 2.8Å; G1081-D1084 PolarHBondContact N-O 2.93Å; D1084-R1086 WeakPolarHBondContact OD1-CG 3.47Å; D1084-R1086 IonicContact OD1-NE 2.77Å; D1084-R1086 IonicContact OD2-CZ 3.53Å; D1084-R1086 IonicContact OD2-NE 3.99Å; D1084-R1086 PolarHBondContact OD2-NE 3.1Å; D1084-R1086 IonicContact OD2-NH2 3.22Å | ||
| 1085 | C | 77.8 | Confident | 62.7 | Low | 5 Ų | 5 | 84.7 Ų | 84.7 | 3% | 0.034 | 44% | 0.441 | C | S | . | . | trans | -148.2 | 120.8 | 155.7 | -71.2 | 0 | 0 | 0 | 0 | 109.4 | H1061 Y1063 C1073 E1078 G1081 | H1061-C1085 PolarHBondContact CE1-O 2.82Å; H1061-C1085 WeakPolarHBondContact ND1-CB 3.3Å; H1061-C1085 PolarHBondContact ND1-N 3.42Å; H1061-C1085 VanDerWaalsContact ND1-N 3.11Å; Y1063-C1085 WeakPolarHBondContact O-CB 3.02Å; Y1063-C1085 PolarHBondContact O-SG 2.82Å; Y1063-C1085 VanDerWaalsContact O-SG 3.35Å; C1073-C1085 WeakPolarHBondContact CA-SG 3.4Å; C1073-C1085 HydrophobicContact CB-CB 3.73Å; C1073-C1085 WeakPolarHBondContact CB-SG 3.09Å; C1073-C1085 WeakPolarHBondContact SG-CA 3.03Å; C1073-C1085 WeakPolarHBondContact SG-CB 3.45Å; C1073-C1085 CovalentContact SG-SG 2.04Å; C1073-C1085 PolarHBondContact SG-SG 3.35Å; E1078-C1085 CarbonylContact O-C 3.54Å; E1078-C1085 WeakPolarHBondContact O-CA 3.15Å; G1081-C1085 VanDerWaalsContact CA-SG 3.54Å | ||
| 1086 | R | 67.9 | Low | 61.9 | Low | 152 Ų | 152 | 74.1 Ų | 74.1 | 57% | 0.574 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.9 | -171.1 | 49.2 | -176.4 | 164.9 | 137 | 11.2 | 109.8 | Y1077 E1078 D1084 T1088 | Y1077-R1086 CarbonylContact C-O 3.49Å; Y1077-R1086 WeakPolarHBondContact CA-O 3.4Å; E1078-R1086 PolarHBondContact N-O 2.88Å; E1078-R1086 VanDerWaalsContact O-CG 3.25Å; E1078-R1086 WeakPolarHBondContact O-CG 3.4Å; E1078-R1086 PolarHBondContact O-N 3.26Å; D1084-R1086 WeakPolarHBondContact OD1-CG 3.47Å; D1084-R1086 IonicContact OD1-NE 2.77Å; D1084-R1086 IonicContact OD2-CZ 3.53Å; D1084-R1086 IonicContact OD2-NE 3.99Å; D1084-R1086 PolarHBondContact OD2-NE 3.1Å; D1084-R1086 IonicContact OD2-NH2 3.22Å; R1086-T1088 PolarHBondContact O-N 3.18Å |
| 1087 | E | 56.8 | Low | 62.3 | Low | 133 Ų | 133 | 82 Ų | 82 | 62% | 0.621 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 129.8 | -158.6 | -69 | -175.8 | 169.9 | 0 | 0 | 115.5 | G1076 Y1077 V1089 | G1076-E1087 CarbonylContact O-C 3.34Å; G1076-E1087 WeakPolarHBondContact O-CA 3.48Å; Y1077-E1087 HydrophobicContact CD1-CG 3.75Å; Y1077-E1087 HydrophobicContact CE1-CB 4.4Å; Y1077-E1087 HydrophobicContact CE1-CG 3.24Å; Y1077-E1087 PolarHBondContact OH-OE1 2.03Å; E1087-V1089 PolarHBondContact O-N 3.17Å; E1087-V1089 VanDerWaalsContact O-N 3.12Å |
| 1088 | T | 51.2 | Low | 62.4 | Low | 50 Ų | 50 | 81.1 Ų | 81.1 | 31% | 0.307 | 43% | 0.426 | S | S | . | . | trans | -71.5 | 105.5 | 175.5 | 20.2 | 0 | 0 | 0 | 0 | 110.3 | G1076 Y1077 E1078 R1086 S1090 | G1076-T1088 WeakPolarHBondContact CA-OG1 3.31Å; G1076-T1088 PolarHBondContact N-OG1 3.37Å; G1076-T1088 PolarHBondContact O-N 3.31Å; G1076-T1088 PolarHBondContact O-OG1 2.91Å; Y1077-T1088 PolarHBondContact N-OG1 2.84Å; E1078-T1088 HydrophobicContact CB-CG2 3.58Å; E1078-T1088 HydrophobicContact CG-CG2 3.68Å; R1086-T1088 PolarHBondContact O-N 3.18Å; T1088-S1090 PolarHBondContact O-N 3Å | ||
| 1089 | V | 42.1 | Very low | 63.5 | Low | 70 Ų | 70 | 78.5 Ų | 78.5 | 42% | 0.424 | 41% | 0.413 | S | S | . | . | trans | -67.3 | 119.7 | 178.7 | -151.6 | 0 | 0 | 0 | 0 | 109.3 | E1087 D1091 S1094 | E1087-V1089 PolarHBondContact O-N 3.17Å; E1087-V1089 VanDerWaalsContact O-N 3.12Å; V1089-D1091 CarbonylContact O-C 3.59Å; V1089-D1091 PolarHBondContact O-N 2.85Å; V1089-S1094 WeakPolarHBondContact CG1-OG 3.48Å | ||
| 1090 | S | 50.8 | Low | 63.4 | Low | 130 Ų | 130 | 82 Ų | 82 | 91% | 0.909 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -73.3 | -4.8 | -158.1 | -43.7 | 0 | 0 | 0 | 0 | 116 | T1088 | T1088-S1090 PolarHBondContact O-N 3Š|
| 1091 | D | 47.3 | Very low | 63.9 | Low | 86 Ų | 86 | 80.4 Ų | 80.4 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -124.2 | 121.6 | 160.7 | 163.7 | 7.5 | 0 | 0 | 0 | 106.3 | V1089 C1093 S1094 | V1089-D1091 CarbonylContact O-C 3.59Å; V1089-D1091 PolarHBondContact O-N 2.85Å; D1091-C1093 PolarHBondContact O-N 2.82Å; D1091-C1093 PolarHBondContact OD1-N 2.98Å; D1091-S1094 WeakPolarHBondContact O-CB 3.42Å; D1091-S1094 PolarHBondContact O-N 2.94Å; D1091-S1094 PolarHBondContact O-OG 3.19Å |
| 1092 | P | 48.6 | Very low | 64.2 | Low | 72 Ų | 72 | 81.1 Ų | 81.1 | 47% | 0.468 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -17.5 | 179.9 | -28.9 | 36.5 | 0 | 0 | 0 | 115.4 | V1096 G1107 | P1092-V1096 WeakPolarHBondContact O-CG2 3.37Å; P1092-G1107 VanDerWaalsContact CB-N 3.3Å; P1092-G1107 WeakPolarHBondContact O-CA 3.12Å |
| 1093 | C | 65.6 | Low | 64.5 | Low | 39 Ų | 39 | 80.9 Ų | 80.9 | 26% | 0.264 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -2.2 | 178.2 | -62.9 | 0 | 0 | 0 | 0 | 114.6 | D1091 S1095 C1104 | D1091-C1093 PolarHBondContact O-N 2.82Å; D1091-C1093 PolarHBondContact OD1-N 2.98Å; C1093-S1095 VanDerWaalsContact C-N 3.35Å; C1093-S1095 PolarHBondContact O-N 3.29Å; C1093-C1104 WeakPolarHBondContact CA-SG 3.38Å; C1093-C1104 HydrophobicContact CB-CB 3.6Å; C1093-C1104 WeakPolarHBondContact CB-SG 3.38Å; C1093-C1104 WeakPolarHBondContact SG-CB 3.34Å; C1093-C1104 CovalentContact SG-SG 2.04Å; C1093-C1104 PolarHBondContact SG-SG 3.14Å |
| 1094 | S | 61.3 | Low | 64.6 | Low | 71 Ų | 71 | 73.7 Ų | 73.7 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -78.3 | -13.2 | -173.7 | 59 | 0 | 0 | 0 | 0 | 115.2 | V1089 D1091 | V1089-S1094 WeakPolarHBondContact CG1-OG 3.48Å; D1091-S1094 WeakPolarHBondContact O-CB 3.42Å; D1091-S1094 PolarHBondContact O-N 2.94Å; D1091-S1094 PolarHBondContact O-OG 3.19Å |
| 1095 | S | 44.4 | Very low | 65.2 | Low | 73 Ų | 73 | 77 Ų | 77 | 51% | 0.51 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -119.1 | -18.6 | 169.3 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | C1093 R1097 | C1093-S1095 VanDerWaalsContact C-N 3.35Å; C1093-S1095 PolarHBondContact O-N 3.29Å; S1095-R1097 PolarHBondContact O-N 3.4Å; S1095-R1097 VanDerWaalsContact O-N 3.13Å |
| 1096 | V | 56.2 | Low | 64.5 | Low | 34 Ų | 34 | 83.6 Ų | 83.6 | 21% | 0.206 | 45% | 0.45 | C | S | . | . | trans | -76.9 | 100.1 | -173.8 | 176 | 0 | 0 | 0 | 0 | 110.9 | P1092 C1098 C1104 C1109 Y1120 | P1092-V1096 WeakPolarHBondContact O-CG2 3.37Å; V1096-C1098 PolarHBondContact O-N 3.39Å; V1096-C1104 HydrophobicContact CG1-CB 4.42Å; V1096-C1109 VanDerWaalsContact CG1-SG 3.51Å; V1096-Y1120 HydrophobicContact CG1-CD2 4.41Å; V1096-Y1120 HydrophobicContact CG1-CE2 4.27Å | ||
| 1097 | R | 66.8 | Low | 64.3 | Low | 197 Ų | 197 | 77.9 Ų | 77.9 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | trans | -80.3 | 103.5 | 169 | -64.8 | -172.9 | -174.1 | -169.4 | 3.6 | 109.8 | S1095 | S1095-R1097 PolarHBondContact O-N 3.4Å; S1095-R1097 VanDerWaalsContact O-N 3.13Å | ||
| 1098 | C | 78.1 | Confident | 65 | Low | 31 Ų | 31 | 79 Ų | 79 | 21% | 0.209 | 44% | 0.436 | C | S | . | . | trans | -74.7 | 161.2 | 167.9 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | V1096 C1104 C1109 G1119 | V1096-C1098 PolarHBondContact O-N 3.39Å; C1098-C1104 VanDerWaalsContact SG-CA 3.6Å; C1098-C1104 PolarHBondContact SG-N 2.91Å; C1098-C1104 VanDerWaalsContact SG-N 3.36Å; C1098-C1109 WeakPolarHBondContact CA-SG 3.22Å; C1098-C1109 HydrophobicContact CB-CB 3.74Å; C1098-C1109 WeakPolarHBondContact CB-SG 3.39Å; C1098-C1109 VanDerWaalsContact SG-CA 3.52Å; C1098-C1109 WeakPolarHBondContact SG-CB 3.3Å; C1098-C1109 CovalentContact SG-SG 2.03Å; C1098-C1109 PolarHBondContact SG-SG 3.04Å; C1098-G1119 WeakPolarHBondContact CB-O 3.5Å | ||
| 1099 | H | 80 | Confident | 66.6 | Low | 44 Ų | 44 | 76.9 Ų | 76.9 | 20% | 0.204 | 42% | 0.424 | C | S | . | . | trans | -54.2 | 148 | 166.4 | 176.7 | -91.1 | 0 | 0 | 0 | 110.5 | N1101 G1102 G1119 Y1120 Y1121 C1123 | H1099-N1101 PolarHBondContact ND1-N 2.91Å; H1099-N1101 PolarHBondContact O-N 2.85Å; H1099-N1101 VanDerWaalsContact O-N 3.09Å; H1099-G1102 WeakPolarHBondContact O-CA 3.49Å; H1099-G1102 PolarHBondContact O-N 2.88Å; H1099-G1119 WeakPolarHBondContact CB-O 3.48Å; H1099-G1119 PolarHBondContact N-O 2.81Å; H1099-Y1120 PolarHBondContact N-O 3.07Å; H1099-Y1121 PolarHBondContact CD2-O 2.93Å; H1099-Y1121 VanDerWaalsContact CD2-O 3.29Å; H1099-C1123 PolarHBondContact CE1-N 3.34Å; H1099-C1123 VanDerWaalsContact CE1-N 3.32Å; H1099-C1123 PolarHBondContact CE1-O 2.04Å; H1099-C1123 WeakPolarHBondContact ND1-CB 3.22Å; H1099-C1123 PolarHBondContact ND1-N 2.85Å; H1099-C1123 VanDerWaalsContact ND1-N 3.17Å | ||
| 1100 | P | 76.5 | Confident | 68.4 | Low | 112 Ų | 112 | 76.6 Ų | 76.6 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.1 | -173.4 | -29.3 | 36.8 | 0 | 0 | 0 | 115.9 | G1102 | P1100-G1102 VanDerWaalsContact C-N 3.29Š|
| 1101 | N | 78.9 | Confident | 70 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 20.4 | 173.4 | -55 | -39.9 | 0 | 0 | 0 | 113.1 | H1099 L1112 Y1115 C1123 | H1099-N1101 PolarHBondContact ND1-N 2.91Å; H1099-N1101 PolarHBondContact O-N 2.85Å; H1099-N1101 VanDerWaalsContact O-N 3.09Å; N1101-L1112 WeakPolarHBondContact O-CB 3.5Å; N1101-L1112 WeakPolarHBondContact O-CG 3.22Å; N1101-L1112 PolarHBondContact O-N 2.86Å; N1101-Y1115 HydrophobicContact CB-CD1 3.76Å; N1101-Y1115 HydrophobicContact CB-CD2 4.07Å; N1101-Y1115 HydrophobicContact CB-CE1 3.83Å; N1101-Y1115 HydrophobicContact CB-CE2 4.13Å; N1101-Y1115 HydrophobicContact CB-CG 3.89Å; N1101-Y1115 VanDerWaalsContact CG-CE1 3.47Å; N1101-Y1115 WeakPolarHBondContact ND2-CE1 3.4Å; N1101-C1123 HydrophobicContact CB-CB 3.84Å; N1101-C1123 PolarHBondContact ND2-O 3.01Å |
| 1102 | G | 81.6 | Confident | 71.6 | Confident | 14 Ų | 14 | 71 Ų | 71 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | H1099 P1100 L1110 | H1099-G1102 WeakPolarHBondContact O-CA 3.49Å; H1099-G1102 PolarHBondContact O-N 2.88Å; P1100-G1102 VanDerWaalsContact C-N 3.29Å; G1102-L1110 CarbonylContact C-O 3.55Å; G1102-L1110 WeakPolarHBondContact CA-O 3.45Å |
| 1103 | Y | 82.3 | Confident | 72.5 | Confident | 102 Ų | 102 | 75.9 Ų | 75.9 | 40% | 0.4 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.9 | 179.8 | 68.3 | -80.5 | 0 | 0 | 0 | 110.2 | K1105 L1110 L1112 | Y1103-K1105 HydrophobicContact CD2-CB 4.42Å; Y1103-K1105 HydrophobicContact CE2-CB 4.1Å; Y1103-K1105 HydrophobicContact CE2-CD 4.37Å; Y1103-L1110 HydrophobicContact CD1-CB 4.34Å; Y1103-L1110 WeakPolarHBondContact CD1-O 3.31Å; Y1103-L1110 HydrophobicContact CE1-CB 3.82Å; Y1103-L1110 WeakPolarHBondContact CE1-O 3.43Å; Y1103-L1110 HydrophobicContact CE2-CB 4.36Å; Y1103-L1110 HydrophobicContact CE2-CD1 4.26Å; Y1103-L1110 PolarHBondContact N-O 3.06Å; Y1103-L1110 PolarHBondContact O-N 3.4Å; Y1103-L1112 HydrophobicContact CD1-CD2 3.68Å; Y1103-L1112 HydrophobicContact CD1-CG 4.34Å; Y1103-L1112 HydrophobicContact CE1-CD2 4.35Å; Y1103-L1112 HydrophobicContact CG-CD2 4.44Å |
| 1104 | C | 79.7 | Confident | 71.9 | Confident | 31 Ų | 31 | 76.5 Ų | 76.5 | 21% | 0.209 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 137.8 | 175.7 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | C1093 V1096 C1098 | C1093-C1104 WeakPolarHBondContact CA-SG 3.38Å; C1093-C1104 HydrophobicContact CB-CB 3.6Å; C1093-C1104 WeakPolarHBondContact CB-SG 3.38Å; C1093-C1104 WeakPolarHBondContact SG-CB 3.34Å; C1093-C1104 CovalentContact SG-SG 2.04Å; C1093-C1104 PolarHBondContact SG-SG 3.14Å; V1096-C1104 HydrophobicContact CG1-CB 4.42Å; C1098-C1104 VanDerWaalsContact SG-CA 3.6Å; C1098-C1104 PolarHBondContact SG-N 2.91Å; C1098-C1104 VanDerWaalsContact SG-N 3.36Å |
| 1105 | K | 75 | Confident | 72.5 | Confident | 121 Ų | 121 | 77 Ų | 77 | 53% | 0.526 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 116 | 170 | -173.3 | -178.9 | 179.3 | -175.8 | 0 | 109.2 | Y1103 G1107 R1108 L1110 | Y1103-K1105 HydrophobicContact CD2-CB 4.42Å; Y1103-K1105 HydrophobicContact CE2-CB 4.1Å; Y1103-K1105 HydrophobicContact CE2-CD 4.37Å; K1105-G1107 VanDerWaalsContact C-N 3.26Å; K1105-G1107 PolarHBondContact O-N 3.32Å; K1105-R1108 PolarHBondContact N-O 2.79Å; K1105-R1108 PolarHBondContact O-N 2.82Å; K1105-L1110 HydrophobicContact CB-CD1 4.02Å; K1105-L1110 HydrophobicContact CD-CD1 4.05Å |
| 1106 | N | 63 | Low | 73.3 | Confident | 144 Ų | 144 | 77.6 Ų | 77.6 | 77% | 0.77 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 41.5 | -176.1 | -58 | 10 | 0 | 0 | 0 | 112.7 | R1108 | N1106-R1108 PolarHBondContact O-N 2.77Š|
| 1107 | G | 64.7 | Low | 74.3 | Confident | 32 Ų | 32 | 78 Ų | 78 | 33% | 0.33 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -14.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1092 K1105 | P1092-G1107 VanDerWaalsContact CB-N 3.3Å; P1092-G1107 WeakPolarHBondContact O-CA 3.12Å; K1105-G1107 VanDerWaalsContact C-N 3.26Å; K1105-G1107 PolarHBondContact O-N 3.32Å |
| 1108 | R | 71.6 | Confident | 74.5 | Confident | 155 Ų | 155 | 72.5 Ų | 72.5 | 59% | 0.585 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134 | 171.1 | -157.5 | 174.1 | -165.9 | 130.8 | 8.9 | 109.7 | K1105 N1106 | K1105-R1108 PolarHBondContact N-O 2.79Å; K1105-R1108 PolarHBondContact O-N 2.82Å; N1106-R1108 PolarHBondContact O-N 2.77Å |
| 1109 | C | 85.1 | Confident | 74.4 | Confident | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 143.2 | 167.6 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | V1096 C1098 G1119 | V1096-C1109 VanDerWaalsContact CG1-SG 3.51Å; C1098-C1109 WeakPolarHBondContact CA-SG 3.22Å; C1098-C1109 HydrophobicContact CB-CB 3.74Å; C1098-C1109 WeakPolarHBondContact CB-SG 3.39Å; C1098-C1109 VanDerWaalsContact SG-CA 3.52Å; C1098-C1109 WeakPolarHBondContact SG-CB 3.3Å; C1098-C1109 CovalentContact SG-SG 2.03Å; C1098-C1109 PolarHBondContact SG-SG 3.04Å; C1109-G1119 WeakPolarHBondContact CB-O 3.41Å |
| 1110 | L | 79.5 | Confident | 74.3 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 34% | 0.335 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 134 | 177.4 | -64.8 | 173.5 | 0 | 0 | 0 | 108.6 | G1102 Y1103 K1105 | G1102-L1110 CarbonylContact C-O 3.55Å; G1102-L1110 WeakPolarHBondContact CA-O 3.45Å; Y1103-L1110 HydrophobicContact CD1-CB 4.34Å; Y1103-L1110 WeakPolarHBondContact CD1-O 3.31Å; Y1103-L1110 HydrophobicContact CE1-CB 3.82Å; Y1103-L1110 WeakPolarHBondContact CE1-O 3.43Å; Y1103-L1110 HydrophobicContact CE2-CB 4.36Å; Y1103-L1110 HydrophobicContact CE2-CD1 4.26Å; Y1103-L1110 PolarHBondContact N-O 3.06Å; Y1103-L1110 PolarHBondContact O-N 3.4Å; K1105-L1110 HydrophobicContact CB-CD1 4.02Å; K1105-L1110 HydrophobicContact CD-CD1 4.05Å |
| 1111 | C | 84 | Confident | 74.2 | Confident | 24 Ų | 24 | 77 Ų | 77 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 145.2 | 176.5 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | Y1115 C1123 | C1111-Y1115 VanDerWaalsContact CB-O 3.28Å; C1111-Y1115 WeakPolarHBondContact CB-O 3.48Å; C1111-C1123 WeakPolarHBondContact CA-SG 3.49Å; C1111-C1123 HydrophobicContact CB-CB 3.76Å; C1111-C1123 WeakPolarHBondContact CB-SG 3.3Å; C1111-C1123 VanDerWaalsContact SG-CA 3.58Å; C1111-C1123 WeakPolarHBondContact SG-CB 3.47Å; C1111-C1123 CovalentContact SG-SG 2.04Å; C1111-C1123 PolarHBondContact SG-SG 2.91Å |
| 1112 | L | 81.3 | Confident | 73.3 | Confident | 75 Ų | 75 | 78.2 Ų | 78.2 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -66 | 150.2 | 173 | -67.7 | 170.9 | 0 | 0 | 0 | 110.1 | N1101 Y1103 G1114 Y1115 | N1101-L1112 WeakPolarHBondContact O-CB 3.5Å; N1101-L1112 WeakPolarHBondContact O-CG 3.22Å; N1101-L1112 PolarHBondContact O-N 2.86Å; Y1103-L1112 HydrophobicContact CD1-CD2 3.68Å; Y1103-L1112 HydrophobicContact CD1-CG 4.34Å; Y1103-L1112 HydrophobicContact CE1-CD2 4.35Å; Y1103-L1112 HydrophobicContact CG-CD2 4.44Å; L1112-G1114 PolarHBondContact O-N 2.85Å; L1112-Y1115 HydrophobicContact CB-CD2 4.24Å; L1112-Y1115 WeakPolarHBondContact O-CB 3.16Å; L1112-Y1115 PolarHBondContact O-N 3.12Å |
| 1113 | N | 68 | Low | 73.1 | Confident | 174 Ų | 174 | 77.7 Ų | 77.7 | 93% | 0.93 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 125.8 | 178.5 | -73.7 | -33.6 | 0 | 0 | 0 | 111.4 | ||
| 1114 | G | 52.6 | Low | 72.3 | Confident | 52 Ų | 52 | 78.7 Ų | 78.7 | 54% | 0.536 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | -8.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1112 P1125 F1126 | L1112-G1114 PolarHBondContact O-N 2.85Å; G1114-P1125 CarbonylContact O-C 3.59Å; G1114-P1125 VanDerWaalsContact O-CA 3.29Å; G1114-P1125 WeakPolarHBondContact O-CA 3.44Å; G1114-F1126 PolarHBondContact O-N 3.02Å |
| 1115 | Y | 73.1 | Confident | 71.1 | Confident | 83 Ų | 83 | 79.8 Ų | 79.8 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.7 | 177.1 | -59 | -99.2 | 0 | 0 | 0 | 112.3 | N1101 C1111 L1112 C1123 R1124 P1125 | N1101-Y1115 HydrophobicContact CB-CD1 3.76Å; N1101-Y1115 HydrophobicContact CB-CD2 4.07Å; N1101-Y1115 HydrophobicContact CB-CE1 3.83Å; N1101-Y1115 HydrophobicContact CB-CE2 4.13Å; N1101-Y1115 HydrophobicContact CB-CG 3.89Å; N1101-Y1115 VanDerWaalsContact CG-CE1 3.47Å; N1101-Y1115 WeakPolarHBondContact ND2-CE1 3.4Å; C1111-Y1115 VanDerWaalsContact CB-O 3.28Å; C1111-Y1115 WeakPolarHBondContact CB-O 3.48Å; L1112-Y1115 HydrophobicContact CB-CD2 4.24Å; L1112-Y1115 WeakPolarHBondContact O-CB 3.16Å; L1112-Y1115 PolarHBondContact O-N 3.12Å; Y1115-C1123 VanDerWaalsContact CD1-O 3.29Å; Y1115-C1123 WeakPolarHBondContact CD1-O 3.47Å; Y1115-R1124 CarbonylContact C-O 3.58Å; Y1115-R1124 WeakPolarHBondContact CA-O 2.99Å; Y1115-P1125 HydrophobicContact CD1-CB 4.08Å; Y1115-P1125 HydrophobicContact CD1-CG 4.01Å; Y1115-P1125 HydrophobicContact CE1-CB 4.08Å; Y1115-P1125 HydrophobicContact CE1-CG 3.73Å |
| 1116 | E | 61.1 | Low | 69.7 | Low | 84 Ų | 84 | 79.1 Ų | 79.1 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 158.2 | 173 | 63 | 167.9 | -159.2 | 0 | 0 | 111 | C1123 R1124 F1126 | E1116-C1123 CarbonylContact O-C 3.49Å; E1116-C1123 VanDerWaalsContact O-CA 3.28Å; E1116-C1123 WeakPolarHBondContact O-CA 2.95Å; E1116-R1124 HydrophobicContact CG-CG 4.26Å; E1116-R1124 PolarHBondContact N-O 2.87Å; E1116-R1124 WeakPolarHBondContact O-CG 3.5Å; E1116-R1124 PolarHBondContact O-N 3.24Å; E1116-R1124 IonicContact OE1-NE 3.52Å; E1116-F1126 HydrophobicContact CG-CB 4.15Å; E1116-F1126 HydrophobicContact CG-CD2 4.37Å; E1116-F1126 VanDerWaalsContact OE2-CD2 3.26Å; E1116-F1126 WeakPolarHBondContact OE2-CD2 3.47Å |
| 1117 | G | 76.7 | Confident | 68.7 | Low | 44 Ų | 44 | 79.6 Ų | 79.6 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 143.7 | -171.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1119 E1122 | G1117-G1119 VanDerWaalsContact C-N 3.3Å; G1117-E1122 CarbonylContact C-O 3.47Å; G1117-E1122 WeakPolarHBondContact CA-O 3.05Å |
| 1118 | D | 72.4 | Confident | 67.6 | Low | 81 Ų | 81 | 84.9 Ų | 84.9 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | trans | -79.6 | -12.6 | -179 | 74.9 | -14.3 | 0 | 0 | 0 | 113.4 | Y1120 Y1121 E1122 | D1118-Y1120 PolarHBondContact O-N 2.85Å; D1118-Y1120 PolarHBondContact OD1-N 2.87Å; D1118-Y1121 PolarHBondContact OD1-N 2.81Å; D1118-Y1121 WeakPolarHBondContact OD2-CD2 3.39Å; D1118-Y1121 PolarHBondContact OD2-N 3.42Å; D1118-E1122 PolarHBondContact N-O 3.42Å; D1118-E1122 VanDerWaalsContact N-O 3.17Å; D1118-E1122 PolarHBondContact OD1-N 2.9Å | ||
| 1119 | G | 76.2 | Confident | 66.5 | Low | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | S | Bend | trans | 84.5 | -23 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | C1098 H1099 C1109 G1117 E1122 C1123 | C1098-G1119 WeakPolarHBondContact CB-O 3.5Å; H1099-G1119 WeakPolarHBondContact CB-O 3.48Å; H1099-G1119 PolarHBondContact N-O 2.81Å; C1109-G1119 WeakPolarHBondContact CB-O 3.41Å; G1117-G1119 VanDerWaalsContact C-N 3.3Å; G1119-E1122 PolarHBondContact N-O 3.48Å; G1119-E1122 VanDerWaalsContact N-O 3.16Å; G1119-C1123 VanDerWaalsContact CA-SG 3.51Å |
| 1120 | Y | 76.2 | Confident | 64.9 | Low | 110 Ų | 110 | 85.7 Ų | 85.7 | 43% | 0.431 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -104.9 | -55.6 | -165.2 | -167.9 | -82.3 | 0 | 0 | 0 | 111.2 | V1096 H1099 D1118 | V1096-Y1120 HydrophobicContact CG1-CD2 4.41Å; V1096-Y1120 HydrophobicContact CG1-CE2 4.27Å; H1099-Y1120 PolarHBondContact N-O 3.07Å; D1118-Y1120 PolarHBondContact O-N 2.85Å; D1118-Y1120 PolarHBondContact OD1-N 2.87Å |
| 1121 | Y | 75 | Confident | 64.2 | Low | 172 Ų | 172 | 84.4 Ų | 84.4 | 68% | 0.675 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -95.3 | -31.1 | 172.9 | -63.6 | -68.1 | 0 | 0 | 0 | 112.5 | H1099 D1118 | H1099-Y1121 PolarHBondContact CD2-O 2.93Å; H1099-Y1121 VanDerWaalsContact CD2-O 3.29Å; D1118-Y1121 PolarHBondContact OD1-N 2.81Å; D1118-Y1121 WeakPolarHBondContact OD2-CD2 3.39Å; D1118-Y1121 PolarHBondContact OD2-N 3.42Å |
| 1122 | E | 60.9 | Low | 62.6 | Low | 75 Ų | 75 | 87.4 Ų | 87.4 | 35% | 0.35 | 45% | 0.449 | S | S | . | . | trans | -143.1 | 136.6 | -174.3 | -167.9 | 175.6 | -168 | 0 | 0 | 113.4 | G1117 D1118 G1119 R1124 | G1117-E1122 CarbonylContact C-O 3.47Å; G1117-E1122 WeakPolarHBondContact CA-O 3.05Å; D1118-E1122 PolarHBondContact N-O 3.42Å; D1118-E1122 VanDerWaalsContact N-O 3.17Å; D1118-E1122 PolarHBondContact OD1-N 2.9Å; G1119-E1122 PolarHBondContact N-O 3.48Å; G1119-E1122 VanDerWaalsContact N-O 3.16Å; E1122-R1124 HydrophobicContact CG-CB 4.4Å; E1122-R1124 HydrophobicContact CG-CG 4.29Å; E1122-R1124 VanDerWaalsContact OE1-CD 3.26Å; E1122-R1124 WeakPolarHBondContact OE1-CD 3.42Å; E1122-R1124 WeakPolarHBondContact OE1-CG 3.33Å; E1122-R1124 IonicContact OE1-CZ 2.67Å; E1122-R1124 IonicContact OE1-NE 2.71Å; E1122-R1124 IonicContact OE1-NH1 2.7Å; E1122-R1124 PolarHBondContact OE1-NH1 2.92Å; E1122-R1124 IonicContact OE2-CZ 3.61Å; E1122-R1124 IonicContact OE2-NH1 3.21Å; E1122-R1124 PolarHBondContact OE2-NH1 2.77Å | ||
| 1123 | C | 75.8 | Confident | 61.2 | Low | 3 Ų | 3 | 87.3 Ų | 87.3 | 2% | 0.02 | 47% | 0.466 | C | S | . | . | trans | -139.2 | 102 | 155.2 | -68 | 0 | 0 | 0 | 0 | 109.1 | H1099 N1101 C1111 Y1115 E1116 G1119 | H1099-C1123 PolarHBondContact CE1-N 3.34Å; H1099-C1123 VanDerWaalsContact CE1-N 3.32Å; H1099-C1123 PolarHBondContact CE1-O 2.04Å; H1099-C1123 WeakPolarHBondContact ND1-CB 3.22Å; H1099-C1123 PolarHBondContact ND1-N 2.85Å; H1099-C1123 VanDerWaalsContact ND1-N 3.17Å; N1101-C1123 HydrophobicContact CB-CB 3.84Å; N1101-C1123 PolarHBondContact ND2-O 3.01Å; C1111-C1123 WeakPolarHBondContact CA-SG 3.49Å; C1111-C1123 HydrophobicContact CB-CB 3.76Å; C1111-C1123 WeakPolarHBondContact CB-SG 3.3Å; C1111-C1123 VanDerWaalsContact SG-CA 3.58Å; C1111-C1123 WeakPolarHBondContact SG-CB 3.47Å; C1111-C1123 CovalentContact SG-SG 2.04Å; C1111-C1123 PolarHBondContact SG-SG 2.91Å; Y1115-C1123 VanDerWaalsContact CD1-O 3.29Å; Y1115-C1123 WeakPolarHBondContact CD1-O 3.47Å; E1116-C1123 CarbonylContact O-C 3.49Å; E1116-C1123 VanDerWaalsContact O-CA 3.28Å; E1116-C1123 WeakPolarHBondContact O-CA 2.95Å; G1119-C1123 VanDerWaalsContact CA-SG 3.51Å | ||
| 1124 | R | 67.1 | Low | 60.7 | Low | 123 Ų | 123 | 80.9 Ų | 80.9 | 46% | 0.464 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 148.2 | 179.4 | 50.9 | 170.9 | 169.5 | -113 | -2.4 | 111 | Y1115 E1116 E1122 | Y1115-R1124 CarbonylContact C-O 3.58Å; Y1115-R1124 WeakPolarHBondContact CA-O 2.99Å; E1116-R1124 HydrophobicContact CG-CG 4.26Å; E1116-R1124 PolarHBondContact N-O 2.87Å; E1116-R1124 WeakPolarHBondContact O-CG 3.5Å; E1116-R1124 PolarHBondContact O-N 3.24Å; E1116-R1124 IonicContact OE1-NE 3.52Å; E1122-R1124 HydrophobicContact CG-CB 4.4Å; E1122-R1124 HydrophobicContact CG-CG 4.29Å; E1122-R1124 VanDerWaalsContact OE1-CD 3.26Å; E1122-R1124 WeakPolarHBondContact OE1-CD 3.42Å; E1122-R1124 WeakPolarHBondContact OE1-CG 3.33Å; E1122-R1124 IonicContact OE1-CZ 2.67Å; E1122-R1124 IonicContact OE1-NE 2.71Å; E1122-R1124 IonicContact OE1-NH1 2.7Å; E1122-R1124 PolarHBondContact OE1-NH1 2.92Å; E1122-R1124 IonicContact OE2-CZ 3.61Å; E1122-R1124 IonicContact OE2-NH1 3.21Å; E1122-R1124 PolarHBondContact OE2-NH1 2.77Å |
| 1125 | P | 53.1 | Low | 61.1 | Low | 53 Ų | 53 | 84.6 Ų | 84.6 | 34% | 0.344 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 133.4 | -173.9 | -3.4 | 17.3 | 0 | 0 | 0 | 111.6 | G1114 Y1115 Y1127 | G1114-P1125 CarbonylContact O-C 3.59Å; G1114-P1125 VanDerWaalsContact O-CA 3.29Å; G1114-P1125 WeakPolarHBondContact O-CA 3.44Å; Y1115-P1125 HydrophobicContact CD1-CB 4.08Å; Y1115-P1125 HydrophobicContact CD1-CG 4.01Å; Y1115-P1125 HydrophobicContact CE1-CB 4.08Å; Y1115-P1125 HydrophobicContact CE1-CG 3.73Å; P1125-Y1127 HydrophobicContact CB-CD2 4.25Å; P1125-Y1127 HydrophobicContact CB-CE2 3.59Å; P1125-Y1127 HydrophobicContact CG-CE2 3.84Å; P1125-Y1127 VanDerWaalsContact O-CD2 3.3Å; P1125-Y1127 WeakPolarHBondContact O-CD2 3.35Å; P1125-Y1127 PolarHBondContact O-N 3.17Å |
| 1126 | F | 46 | Very low | 61.3 | Low | 108 Ų | 108 | 82 Ų | 82 | 47% | 0.474 | 43% | 0.43 | S | S | . | . | trans | -85.2 | 109 | 179.4 | -178.8 | -110.6 | 0 | 0 | 0 | 110.8 | G1114 E1116 N1128 | G1114-F1126 PolarHBondContact O-N 3.02Å; E1116-F1126 HydrophobicContact CG-CB 4.15Å; E1116-F1126 HydrophobicContact CG-CD2 4.37Å; E1116-F1126 VanDerWaalsContact OE2-CD2 3.26Å; E1116-F1126 WeakPolarHBondContact OE2-CD2 3.47Å; F1126-N1128 VanDerWaalsContact CE1-OD1 3.24Å; F1126-N1128 WeakPolarHBondContact CE1-OD1 3.44Å | ||
| 1127 | Y | 43.2 | Very low | 62.1 | Low | 153 Ų | 153 | 79.2 Ų | 79.2 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | trans | -104.6 | 117.1 | -178.9 | -66.9 | -75.6 | 0 | 0 | 0 | 111.2 | P1125 D1129 | P1125-Y1127 HydrophobicContact CB-CD2 4.25Å; P1125-Y1127 HydrophobicContact CB-CE2 3.59Å; P1125-Y1127 HydrophobicContact CG-CE2 3.84Å; P1125-Y1127 VanDerWaalsContact O-CD2 3.3Å; P1125-Y1127 WeakPolarHBondContact O-CD2 3.35Å; P1125-Y1127 PolarHBondContact O-N 3.17Å; Y1127-D1129 PolarHBondContact O-N 3.15Å | ||
| 1128 | N | 41.9 | Very low | 61.7 | Low | 144 Ų | 144 | 82 Ų | 82 | 77% | 0.77 | 43% | 0.429 | S | S | * | . | trans | -76.3 | 40.4 | -179.8 | -74 | -75.1 | 0 | 0 | 0 | 114.1 | F1126 | F1126-N1128 VanDerWaalsContact CE1-OD1 3.24Å; F1126-N1128 WeakPolarHBondContact CE1-OD1 3.44Å | ||
| 1129 | D | 47.9 | Very low | 61.5 | Low | 92 Ų | 92 | 81 Ų | 81 | 49% | 0.492 | 42% | 0.421 | S | S | . | . | trans | -116.4 | 118.7 | 176.3 | -174.3 | -37.9 | 0 | 0 | 0 | 109.5 | Y1127 C1131 V1132 | Y1127-D1129 PolarHBondContact O-N 3.15Å; D1129-C1131 PolarHBondContact O-N 2.8Å; D1129-C1131 PolarHBondContact OD1-N 2.68Å; D1129-V1132 HydrophobicContact CB-CG2 3.98Å; D1129-V1132 WeakPolarHBondContact O-CB 3.34Å; D1129-V1132 WeakPolarHBondContact O-CG2 3.36Å; D1129-V1132 PolarHBondContact O-N 2.74Å | ||
| 1130 | P | 50.9 | Low | 61.8 | Low | 85 Ų | 85 | 81.8 Ų | 81.8 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 1.1 | -174.8 | 30 | -36.4 | 0 | 0 | 0 | 114.8 | G1145 | P1130-G1145 VanDerWaalsContact O-CA 3.23Å; P1130-G1145 WeakPolarHBondContact O-CA 3.01Å |
| 1131 | C | 64.4 | Low | 61.5 | Low | 37 Ų | 37 | 81.2 Ų | 81.2 | 25% | 0.25 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -2.4 | 167.3 | -73.8 | 0 | 0 | 0 | 0 | 113.8 | D1129 G1133 V1134 C1142 | D1129-C1131 PolarHBondContact O-N 2.8Å; D1129-C1131 PolarHBondContact OD1-N 2.68Å; C1131-G1133 PolarHBondContact O-N 2.88Å; C1131-V1134 PolarHBondContact O-N 2.75Å; C1131-C1142 VanDerWaalsContact CA-SG 3.53Å; C1131-C1142 HydrophobicContact CB-CB 3.81Å; C1131-C1142 WeakPolarHBondContact CB-SG 3.42Å; C1131-C1142 WeakPolarHBondContact SG-CB 3.21Å; C1131-C1142 CovalentContact SG-SG 2.04Å; C1131-C1142 PolarHBondContact SG-SG 2.87Å |
| 1132 | V | 51.4 | Low | 61.6 | Low | 88 Ų | 88 | 74.5 Ų | 74.5 | 53% | 0.533 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 124.2 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | D1129 V1134 | D1129-V1132 HydrophobicContact CB-CG2 3.98Å; D1129-V1132 WeakPolarHBondContact O-CB 3.34Å; D1129-V1132 WeakPolarHBondContact O-CG2 3.36Å; D1129-V1132 PolarHBondContact O-N 2.74Å; V1132-V1134 VanDerWaalsContact C-N 3.29Å; V1132-V1134 PolarHBondContact O-N 2.77Å |
| 1133 | G | 51.2 | Low | 62.1 | Low | 73 Ų | 73 | 79.1 Ų | 79.1 | 75% | 0.753 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -11.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | C1131 Q1135 | C1131-G1133 PolarHBondContact O-N 2.88Å; G1133-Q1135 PolarHBondContact O-N 3.12Å |
| 1134 | V | 57.3 | Low | 61.4 | Low | 38 Ų | 38 | 85.7 Ų | 85.7 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | trans | -82.1 | 87.3 | -178.5 | -175 | 0 | 0 | 0 | 0 | 110.3 | C1131 V1132 C1136 G1145 C1147 F1158 | C1131-V1134 PolarHBondContact O-N 2.75Å; V1132-V1134 VanDerWaalsContact C-N 3.29Å; V1132-V1134 PolarHBondContact O-N 2.77Å; V1134-C1136 PolarHBondContact O-N 2.79Å; V1134-G1145 WeakPolarHBondContact CG1-O 3.03Å; V1134-C1147 VanDerWaalsContact CG1-SG 3.59Å; V1134-F1158 HydrophobicContact CG1-CE2 4.37Å | ||
| 1135 | Q | 61.5 | Low | 61.2 | Low | 131 Ų | 131 | 81.1 Ų | 81.1 | 61% | 0.612 | 45% | 0.447 | S | S | * | . | trans | -70.9 | 82.3 | 176.9 | -75 | -81.7 | -7.9 | 0 | 0 | 111.6 | G1133 | G1133-Q1135 PolarHBondContact O-N 3.12Š| ||
| 1136 | C | 77.4 | Confident | 62 | Low | 29 Ų | 29 | 87.7 Ų | 87.7 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | trans | -69.9 | 154.8 | 171.9 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | V1134 A1140 C1147 | V1134-C1136 PolarHBondContact O-N 2.79Å; C1136-A1140 HydrophobicContact CB-CB 4.16Å; C1136-C1147 WeakPolarHBondContact CA-SG 3.48Å; C1136-C1147 HydrophobicContact CB-CB 3.66Å; C1136-C1147 WeakPolarHBondContact CB-SG 3.31Å; C1136-C1147 VanDerWaalsContact SG-CA 3.53Å; C1136-C1147 WeakPolarHBondContact SG-CB 3.11Å; C1136-C1147 CovalentContact SG-SG 2.03Å; C1136-C1147 PolarHBondContact SG-SG 3.41Å | ||
| 1137 | H | 77.3 | Confident | 63.8 | Low | 25 Ų | 25 | 83.4 Ų | 83.4 | 12% | 0.116 | 45% | 0.449 | C | S | . | . | trans | -56.5 | 147.5 | 169.7 | -175.6 | -102 | 0 | 0 | 0 | 110.8 | K1139 A1140 G1157 H1159 C1161 | H1137-K1139 PolarHBondContact ND1-N 3.33Å; H1137-K1139 PolarHBondContact O-N 3.12Å; H1137-A1140 HydrophobicContact CB-CB 4.35Å; H1137-A1140 WeakPolarHBondContact O-CB 3.39Å; H1137-A1140 PolarHBondContact O-N 2.69Å; H1137-G1157 WeakPolarHBondContact CB-O 2.96Å; H1137-G1157 PolarHBondContact N-O 2.57Å; H1137-H1159 PolarHBondContact CD2-O 3.26Å; H1137-C1161 PolarHBondContact CE1-N 2.74Å; H1137-C1161 VanDerWaalsContact CE1-N 3.28Å; H1137-C1161 PolarHBondContact CE1-O 2.93Å; H1137-C1161 VanDerWaalsContact CE1-O 3.27Å; H1137-C1161 WeakPolarHBondContact ND1-CB 3.29Å; H1137-C1161 PolarHBondContact ND1-N 3.43Å; H1137-C1161 VanDerWaalsContact ND1-N 3.13Å | ||
| 1138 | S | 67.9 | Low | 65.5 | Low | 102 Ų | 102 | 84 Ų | 84 | 71% | 0.713 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -11.3 | -172.5 | 65.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1139 | K | 69.5 | Low | 67.3 | Low | 60 Ų | 60 | 77.9 Ų | 77.9 | 26% | 0.261 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 27.6 | 175.8 | -53.1 | -72.4 | -171.7 | 155.6 | 0 | 112.1 | H1137 L1150 Y1153 C1161 | H1137-K1139 PolarHBondContact ND1-N 3.33Å; H1137-K1139 PolarHBondContact O-N 3.12Å; K1139-L1150 WeakPolarHBondContact O-CB 3.44Å; K1139-L1150 WeakPolarHBondContact O-CG 3.33Å; K1139-L1150 PolarHBondContact O-N 3Å; K1139-Y1153 HydrophobicContact CB-CD1 3.7Å; K1139-Y1153 HydrophobicContact CB-CD2 4.3Å; K1139-Y1153 HydrophobicContact CB-CE1 3.91Å; K1139-Y1153 HydrophobicContact CB-CE2 4.48Å; K1139-Y1153 HydrophobicContact CB-CG 3.96Å; K1139-Y1153 HydrophobicContact CD-CD1 4.37Å; K1139-Y1153 HydrophobicContact CD-CE1 3.69Å; K1139-Y1153 HydrophobicContact CD-CE2 4.06Å; K1139-Y1153 WeakPolarHBondContact CE-OH 3.5Å; K1139-Y1153 HydrophobicContact CG-CD1 3.82Å; K1139-Y1153 HydrophobicContact CG-CE1 3.51Å; K1139-Y1153 HydrophobicContact CG-CE2 4.49Å; K1139-Y1153 HydrophobicContact CG-CG 4.48Å; K1139-Y1153 PolarHBondContact NZ-OH 2.79Å; K1139-C1161 HydrophobicContact CB-CB 4.07Å |
| 1140 | A | 81.2 | Confident | 68.8 | Low | 17 Ų | 17 | 76.9 Ų | 76.9 | 14% | 0.14 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 156.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1136 H1137 R1148 G1157 | C1136-A1140 HydrophobicContact CB-CB 4.16Å; H1137-A1140 HydrophobicContact CB-CB 4.35Å; H1137-A1140 WeakPolarHBondContact O-CB 3.39Å; H1137-A1140 PolarHBondContact O-N 2.69Å; A1140-R1148 CarbonylContact C-O 3.59Å; A1140-R1148 WeakPolarHBondContact CA-O 3.26Å; A1140-R1148 WeakPolarHBondContact CB-O 3.44Å; A1140-G1157 VanDerWaalsContact CB-O 3.31Å; A1140-G1157 WeakPolarHBondContact CB-O 3.34Å |
| 1141 | E | 71 | Confident | 69.6 | Low | 97 Ų | 97 | 80 Ų | 80 | 45% | 0.453 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.4 | 175.4 | -176 | -172.8 | 134.6 | 0 | 0 | 109.3 | R1143 R1148 L1150 | E1141-R1143 IonicContact OE1-NE 3.65Å; E1141-R1143 PolarHBondContact OE1-NE 3.12Å; E1141-R1148 PolarHBondContact N-O 2.61Å; E1141-R1148 PolarHBondContact O-N 2.03Å; E1141-L1150 HydrophobicContact CB-CD2 4.16Å |
| 1142 | C | 77 | Confident | 69.1 | Low | 32 Ų | 32 | 80.6 Ų | 80.6 | 22% | 0.216 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.5 | 170.4 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | C1131 Y1146 | C1131-C1142 VanDerWaalsContact CA-SG 3.53Å; C1131-C1142 HydrophobicContact CB-CB 3.81Å; C1131-C1142 WeakPolarHBondContact CB-SG 3.42Å; C1131-C1142 WeakPolarHBondContact SG-CB 3.21Å; C1131-C1142 CovalentContact SG-SG 2.04Å; C1131-C1142 PolarHBondContact SG-SG 2.87Å; C1142-Y1146 WeakPolarHBondContact CA-O 3.38Å |
| 1143 | R | 70.8 | Confident | 70 | Confident | 171 Ų | 171 | 79.3 Ų | 79.3 | 65% | 0.645 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 121.4 | 169 | -79.1 | -176.3 | 164.4 | -135 | -4.4 | 110 | E1141 G1145 Y1146 | E1141-R1143 IonicContact OE1-NE 3.65Å; E1141-R1143 PolarHBondContact OE1-NE 3.12Å; R1143-G1145 PolarHBondContact O-N 3.06Å; R1143-Y1146 PolarHBondContact N-O 3.45Å; R1143-Y1146 PolarHBondContact O-N 3.22Å |
| 1144 | N | 61.5 | Low | 70.1 | Confident | 141 Ų | 141 | 81.4 Ų | 81.4 | 75% | 0.754 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 44.7 | -179.7 | -67.7 | 9.9 | 0 | 0 | 0 | 113 | Y1146 | N1144-Y1146 VanDerWaalsContact C-N 3.29Å; N1144-Y1146 PolarHBondContact O-N 2.75Å |
| 1145 | G | 61.9 | Low | 70.9 | Confident | 27 Ų | 27 | 81 Ų | 81 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -4.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P1130 V1134 R1143 | P1130-G1145 VanDerWaalsContact O-CA 3.23Å; P1130-G1145 WeakPolarHBondContact O-CA 3.01Å; V1134-G1145 WeakPolarHBondContact CG1-O 3.03Å; R1143-G1145 PolarHBondContact O-N 3.06Å |
| 1146 | Y | 71.6 | Confident | 71.2 | Confident | 191 Ų | 191 | 77.9 Ų | 77.9 | 75% | 0.749 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.1 | 174.5 | -76.7 | -92.6 | 0 | 0 | 0 | 111.7 | C1142 R1143 N1144 | C1142-Y1146 WeakPolarHBondContact CA-O 3.38Å; R1143-Y1146 PolarHBondContact N-O 3.45Å; R1143-Y1146 PolarHBondContact O-N 3.22Å; N1144-Y1146 VanDerWaalsContact C-N 3.29Å; N1144-Y1146 PolarHBondContact O-N 2.75Å |
| 1147 | C | 83.6 | Confident | 71 | Confident | 18 Ų | 18 | 76.5 Ų | 76.5 | 12% | 0.122 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 141.2 | 175.3 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | V1134 C1136 G1157 | V1134-C1147 VanDerWaalsContact CG1-SG 3.59Å; C1136-C1147 WeakPolarHBondContact CA-SG 3.48Å; C1136-C1147 HydrophobicContact CB-CB 3.66Å; C1136-C1147 WeakPolarHBondContact CB-SG 3.31Å; C1136-C1147 VanDerWaalsContact SG-CA 3.53Å; C1136-C1147 WeakPolarHBondContact SG-CB 3.11Å; C1136-C1147 CovalentContact SG-SG 2.03Å; C1136-C1147 PolarHBondContact SG-SG 3.41Å; C1147-G1157 WeakPolarHBondContact CB-O 3.31Å |
| 1148 | R | 78.4 | Confident | 70.5 | Confident | 166 Ų | 166 | 79.7 Ų | 79.7 | 63% | 0.626 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 132.1 | 174.5 | -155.8 | -165.5 | 76.1 | 171.2 | 7.2 | 111.5 | A1140 E1141 | A1140-R1148 CarbonylContact C-O 3.59Å; A1140-R1148 WeakPolarHBondContact CA-O 3.26Å; A1140-R1148 WeakPolarHBondContact CB-O 3.44Å; E1141-R1148 PolarHBondContact N-O 2.61Å; E1141-R1148 PolarHBondContact O-N 2.03Å |
| 1149 | C | 80.2 | Confident | 70.7 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 10% | 0.101 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 146.2 | 179.4 | -59 | 0 | 0 | 0 | 0 | 112.9 | G1155 C1161 | C1149-G1155 PolarHBondContact SG-O 2.99Å; C1149-C1161 WeakPolarHBondContact CA-SG 3.37Å; C1149-C1161 HydrophobicContact CB-CB 3.8Å; C1149-C1161 WeakPolarHBondContact CB-SG 3.45Å; C1149-C1161 WeakPolarHBondContact SG-CB 3.38Å; C1149-C1161 CovalentContact SG-SG 2.04Å; C1149-C1161 PolarHBondContact SG-SG 2.92Å |
| 1150 | L | 78.9 | Confident | 70.5 | Confident | 71 Ų | 71 | 82.9 Ų | 82.9 | 37% | 0.372 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 154.7 | 175.9 | -65 | 172.2 | 0 | 0 | 0 | 110.7 | K1139 E1141 G1152 Y1153 | K1139-L1150 WeakPolarHBondContact O-CB 3.44Å; K1139-L1150 WeakPolarHBondContact O-CG 3.33Å; K1139-L1150 PolarHBondContact O-N 3Å; E1141-L1150 HydrophobicContact CB-CD2 4.16Å; L1150-G1152 PolarHBondContact O-N 2.91Å; L1150-Y1153 WeakPolarHBondContact O-CB 3.48Å; L1150-Y1153 PolarHBondContact O-N 3.44Å |
| 1151 | N | 67.8 | Low | 69.8 | Low | 150 Ų | 150 | 82.1 Ų | 82.1 | 80% | 0.802 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 129.2 | 179.7 | -67.7 | -13.9 | 0 | 0 | 0 | 111.5 | ||
| 1152 | G | 53.7 | Low | 69.3 | Low | 50 Ų | 50 | 83.2 Ų | 83.2 | 52% | 0.515 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1150 M1164 | L1150-G1152 PolarHBondContact O-N 2.91Å; G1152-M1164 WeakPolarHBondContact O-CG 3.4Å; G1152-M1164 PolarHBondContact O-N 3Å |
| 1153 | Y | 69.8 | Low | 68 | Low | 61 Ų | 61 | 82.8 Ų | 82.8 | 24% | 0.239 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.4 | 175.2 | -64.2 | -102.5 | 0 | 0 | 0 | 111.2 | K1139 L1150 C1161 Y1162 A1163 | K1139-Y1153 HydrophobicContact CB-CD1 3.7Å; K1139-Y1153 HydrophobicContact CB-CD2 4.3Å; K1139-Y1153 HydrophobicContact CB-CE1 3.91Å; K1139-Y1153 HydrophobicContact CB-CE2 4.48Å; K1139-Y1153 HydrophobicContact CB-CG 3.96Å; K1139-Y1153 HydrophobicContact CD-CD1 4.37Å; K1139-Y1153 HydrophobicContact CD-CE1 3.69Å; K1139-Y1153 HydrophobicContact CD-CE2 4.06Å; K1139-Y1153 WeakPolarHBondContact CE-OH 3.5Å; K1139-Y1153 HydrophobicContact CG-CD1 3.82Å; K1139-Y1153 HydrophobicContact CG-CE1 3.51Å; K1139-Y1153 HydrophobicContact CG-CE2 4.49Å; K1139-Y1153 HydrophobicContact CG-CG 4.48Å; K1139-Y1153 PolarHBondContact NZ-OH 2.79Å; L1150-Y1153 WeakPolarHBondContact O-CB 3.48Å; L1150-Y1153 PolarHBondContact O-N 3.44Å; Y1153-C1161 HydrophobicContact CD1-CB 4.4Å; Y1153-C1161 WeakPolarHBondContact CD1-O 3.45Å; Y1153-Y1162 WeakPolarHBondContact CA-O 3.36Å; Y1153-Y1162 WeakPolarHBondContact CB-O 3Å; Y1153-Y1162 VanDerWaalsContact CD1-C 3.49Å; Y1153-Y1162 WeakPolarHBondContact CD1-O 3.44Å; Y1153-A1163 VanDerWaalsContact CD1-CA 3.49Å; Y1153-A1163 HydrophobicContact CD1-CB 3.97Å; Y1153-A1163 HydrophobicContact CE1-CB 3.43Å; Y1153-A1163 VanDerWaalsContact CE1-CB 3.43Å |
| 1154 | E | 54 | Low | 67.3 | Low | 117 Ų | 117 | 81.2 Ų | 81.2 | 55% | 0.547 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.4 | 176.9 | -173.7 | 161.9 | -173.4 | 0 | 0 | 111 | C1161 Y1162 | E1154-C1161 CarbonylContact O-C 3.55Å; E1154-C1161 VanDerWaalsContact O-CA 3.27Å; E1154-C1161 WeakPolarHBondContact O-CA 3.38Å; E1154-Y1162 HydrophobicContact CB-CE2 3.89Å; E1154-Y1162 PolarHBondContact N-O 3.22Å; E1154-Y1162 VanDerWaalsContact O-CD1 3.28Å; E1154-Y1162 WeakPolarHBondContact O-CD1 3.33Å; E1154-Y1162 WeakPolarHBondContact O-CE1 3.42Å; E1154-Y1162 PolarHBondContact O-N 3.24Å |
| 1155 | G | 73.4 | Confident | 66.4 | Low | 30 Ų | 30 | 82.3 Ų | 82.3 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 148.1 | -173.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1149 G1157 Y1160 | C1149-G1155 PolarHBondContact SG-O 2.99Å; G1155-G1157 VanDerWaalsContact C-N 3.27Å; G1155-G1157 PolarHBondContact O-N 3.09Å; G1155-Y1160 CarbonylContact C-O 3.6Å |
| 1156 | D | 67.5 | Low | 65.2 | Low | 66 Ų | 66 | 89 Ų | 89 | 35% | 0.353 | 44% | 0.435 | S | S | . | . | trans | -75 | -12.6 | -175.9 | 82.3 | -24.7 | 0 | 0 | 0 | 114 | F1158 H1159 Y1160 | D1156-F1158 PolarHBondContact O-N 2.94Å; D1156-F1158 PolarHBondContact OD1-N 3.47Å; D1156-H1159 PolarHBondContact OD1-N 2.97Å; D1156-H1159 IonicContact OD2-CE1 3.56Å; D1156-H1159 IonicContact OD2-CG 3.71Å; D1156-H1159 PolarHBondContact OD2-N 3.07Å; D1156-H1159 IonicContact OD2-ND1 3.81Å; D1156-H1159 PolarHBondContact OD2-ND1 3.06Å; D1156-Y1160 HydrophobicContact CB-CD1 4.47Å; D1156-Y1160 HydrophobicContact CB-CE1 3.95Å; D1156-Y1160 PolarHBondContact N-O 2.77Å; D1156-Y1160 PolarHBondContact OD1-N 3.27Å | ||
| 1157 | G | 74.1 | Confident | 64.1 | Low | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | S | Bend | trans | 79.3 | -13.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | H1137 A1140 C1147 G1155 Y1160 | H1137-G1157 WeakPolarHBondContact CB-O 2.96Å; H1137-G1157 PolarHBondContact N-O 2.57Å; A1140-G1157 VanDerWaalsContact CB-O 3.31Å; A1140-G1157 WeakPolarHBondContact CB-O 3.34Å; C1147-G1157 WeakPolarHBondContact CB-O 3.31Å; G1155-G1157 VanDerWaalsContact C-N 3.27Å; G1155-G1157 PolarHBondContact O-N 3.09Å; G1157-Y1160 PolarHBondContact N-O 3.43Å |
| 1158 | F | 67.2 | Low | 62.6 | Low | 91 Ų | 91 | 88 Ų | 88 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -115.4 | -47.1 | -168.2 | -160.1 | -80.9 | 0 | 0 | 0 | 111.6 | V1134 D1156 R1173 | V1134-F1158 HydrophobicContact CG1-CE2 4.37Å; D1156-F1158 PolarHBondContact O-N 2.94Å; D1156-F1158 PolarHBondContact OD1-N 3.47Å; F1158-R1173 PolarHBondContact O-NH2 3.25Å; F1158-R1173 VanDerWaalsContact O-NH2 3.15Å |
| 1159 | H | 70.7 | Confident | 61.7 | Low | 106 Ų | 106 | 82.1 Ų | 82.1 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -96.4 | -40.9 | 172.4 | -59.5 | 89.8 | 0 | 0 | 0 | 111.7 | H1137 D1156 | H1137-H1159 PolarHBondContact CD2-O 3.26Å; D1156-H1159 PolarHBondContact OD1-N 2.97Å; D1156-H1159 IonicContact OD2-CE1 3.56Å; D1156-H1159 IonicContact OD2-CG 3.71Å; D1156-H1159 PolarHBondContact OD2-N 3.07Å; D1156-H1159 IonicContact OD2-ND1 3.81Å; D1156-H1159 PolarHBondContact OD2-ND1 3.06Å |
| 1160 | Y | 66 | Low | 60.6 | Low | 123 Ų | 123 | 82.6 Ų | 82.6 | 48% | 0.482 | 43% | 0.434 | S | S | . | . | trans | -147.3 | 148.4 | -174.7 | 64.8 | -83.1 | 0 | 0 | 0 | 113.7 | G1155 D1156 G1157 Y1162 | G1155-Y1160 CarbonylContact C-O 3.6Å; D1156-Y1160 HydrophobicContact CB-CD1 4.47Å; D1156-Y1160 HydrophobicContact CB-CE1 3.95Å; D1156-Y1160 PolarHBondContact N-O 2.77Å; D1156-Y1160 PolarHBondContact OD1-N 3.27Å; G1157-Y1160 PolarHBondContact N-O 3.43Å; Y1160-Y1162 HydrophobicContact CD2-CD1 4.02Å; Y1160-Y1162 HydrophobicContact CD2-CE1 4.32Å; Y1160-Y1162 HydrophobicContact CE2-CD1 4.32Å; Y1160-Y1162 HydrophobicContact CE2-CE1 4.15Å | ||
| 1161 | C | 66.5 | Low | 59.3 | Low | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.014 | 46% | 0.455 | C | S | . | . | trans | -142.1 | 109 | 155.2 | -59.7 | 0 | 0 | 0 | 0 | 106.7 | H1137 K1139 C1149 Y1153 E1154 | H1137-C1161 PolarHBondContact CE1-N 2.74Å; H1137-C1161 VanDerWaalsContact CE1-N 3.28Å; H1137-C1161 PolarHBondContact CE1-O 2.93Å; H1137-C1161 VanDerWaalsContact CE1-O 3.27Å; H1137-C1161 WeakPolarHBondContact ND1-CB 3.29Å; H1137-C1161 PolarHBondContact ND1-N 3.43Å; H1137-C1161 VanDerWaalsContact ND1-N 3.13Å; K1139-C1161 HydrophobicContact CB-CB 4.07Å; C1149-C1161 WeakPolarHBondContact CA-SG 3.37Å; C1149-C1161 HydrophobicContact CB-CB 3.8Å; C1149-C1161 WeakPolarHBondContact CB-SG 3.45Å; C1149-C1161 WeakPolarHBondContact SG-CB 3.38Å; C1149-C1161 CovalentContact SG-SG 2.04Å; C1149-C1161 PolarHBondContact SG-SG 2.92Å; Y1153-C1161 HydrophobicContact CD1-CB 4.4Å; Y1153-C1161 WeakPolarHBondContact CD1-O 3.45Å; E1154-C1161 CarbonylContact O-C 3.55Å; E1154-C1161 VanDerWaalsContact O-CA 3.27Å; E1154-C1161 WeakPolarHBondContact O-CA 3.38Å | ||
| 1162 | Y | 60 | Low | 58.6 | Low | 119 Ų | 119 | 80.8 Ų | 80.8 | 47% | 0.467 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 146.8 | 178.2 | 51.8 | -97.8 | 0 | 0 | 0 | 110.4 | Y1153 E1154 Y1160 | Y1153-Y1162 WeakPolarHBondContact CA-O 3.36Å; Y1153-Y1162 WeakPolarHBondContact CB-O 3Å; Y1153-Y1162 VanDerWaalsContact CD1-C 3.49Å; Y1153-Y1162 WeakPolarHBondContact CD1-O 3.44Å; E1154-Y1162 HydrophobicContact CB-CE2 3.89Å; E1154-Y1162 PolarHBondContact N-O 3.22Å; E1154-Y1162 VanDerWaalsContact O-CD1 3.28Å; E1154-Y1162 WeakPolarHBondContact O-CD1 3.33Å; E1154-Y1162 WeakPolarHBondContact O-CE1 3.42Å; E1154-Y1162 PolarHBondContact O-N 3.24Å; Y1160-Y1162 HydrophobicContact CD2-CD1 4.02Å; Y1160-Y1162 HydrophobicContact CD2-CE1 4.32Å; Y1160-Y1162 HydrophobicContact CE2-CD1 4.32Å; Y1160-Y1162 HydrophobicContact CE2-CE1 4.15Å |
| 1163 | A | 50 | Low | 58.9 | Low | 23 Ų | 23 | 85.7 Ų | 85.7 | 19% | 0.19 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 148 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y1153 Q1165 | Y1153-A1163 VanDerWaalsContact CD1-CA 3.49Å; Y1153-A1163 HydrophobicContact CD1-CB 3.97Å; Y1153-A1163 HydrophobicContact CE1-CB 3.43Å; Y1153-A1163 VanDerWaalsContact CE1-CB 3.43Å; A1163-Q1165 WeakPolarHBondContact CB-O 3.41Å; A1163-Q1165 PolarHBondContact O-N 3.26Å; A1163-Q1165 VanDerWaalsContact O-N 3.15Å |
| 1164 | M | 56.2 | Low | 59.2 | Low | 138 Ų | 138 | 84.4 Ų | 84.4 | 68% | 0.68 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -73.9 | 7.8 | 168.9 | -62 | -66.6 | -82.2 | 0 | 0 | 113.5 | G1152 | G1152-M1164 WeakPolarHBondContact O-CG 3.4Å; G1152-M1164 PolarHBondContact O-N 3Å |
| 1165 | Q | 42.2 | Very low | 60.4 | Low | 165 Ų | 165 | 81 Ų | 81 | 77% | 0.771 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -164.6 | 151.1 | 169.9 | -121.8 | 169.2 | 0.7 | 0 | 0 | 111.9 | A1163 | A1163-Q1165 WeakPolarHBondContact CB-O 3.41Å; A1163-Q1165 PolarHBondContact O-N 3.26Å; A1163-Q1165 VanDerWaalsContact O-N 3.15Å |
| 1166 | D | 37.9 | Very low | 60.3 | Low | 168 Ų | 168 | 85.2 Ų | 85.2 | 90% | 0.898 | 43% | 0.433 | S | S | * | . | trans | -75.6 | 139 | -159 | -49.3 | -85.6 | 0 | 0 | 0 | 116.9 | ||||
| 1167 | D | 48.4 | Very low | 60.6 | Low | 83 Ų | 83 | 83.8 Ų | 83.8 | 44% | 0.444 | 43% | 0.425 | S | S | . | . | trans | -149.4 | 123.2 | 168.8 | 164.6 | 3.5 | 0 | 0 | 0 | 107.8 | C1169 S1170 | D1167-C1169 VanDerWaalsContact C-N 3.32Å; D1167-C1169 PolarHBondContact O-N 3.07Å; D1167-C1169 VanDerWaalsContact O-N 3.17Å; D1167-C1169 PolarHBondContact OD1-N 3.43Å; D1167-S1170 WeakPolarHBondContact CB-OG 3.28Å; D1167-S1170 WeakPolarHBondContact O-CB 3.37Å; D1167-S1170 PolarHBondContact O-N 3.44Å; D1167-S1170 PolarHBondContact O-OG 3.3Å | ||
| 1168 | P | 51.1 | Low | 61 | Low | 104 Ų | 104 | 84.4 Ų | 84.4 | 68% | 0.675 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.9 | -166.1 | 23.4 | -34 | 0 | 0 | 0 | 117 | S1170 | P1168-S1170 VanDerWaalsContact C-N 3.31Š|
| 1169 | C | 60.4 | Low | 61.4 | Low | 42 Ų | 42 | 85.9 Ų | 85.9 | 28% | 0.284 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -0.8 | 169.4 | -80.1 | 0 | 0 | 0 | 0 | 113.1 | D1167 S1171 M1172 C1180 | D1167-C1169 VanDerWaalsContact C-N 3.32Å; D1167-C1169 PolarHBondContact O-N 3.07Å; D1167-C1169 VanDerWaalsContact O-N 3.17Å; D1167-C1169 PolarHBondContact OD1-N 3.43Å; C1169-S1171 VanDerWaalsContact C-N 3.32Å; C1169-S1171 PolarHBondContact O-N 2.86Å; C1169-M1172 PolarHBondContact O-N 3.08Å; C1169-C1180 HydrophobicContact CB-CB 4.06Å; C1169-C1180 WeakPolarHBondContact CB-SG 3.49Å; C1169-C1180 WeakPolarHBondContact SG-CB 3.44Å; C1169-C1180 CovalentContact SG-SG 2.06Å; C1169-C1180 PolarHBondContact SG-SG 3.11Å |
| 1170 | S | 57.3 | Low | 61.7 | Low | 26 Ų | 26 | 82.4 Ų | 82.4 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20.9 | -168.2 | -64.9 | 0 | 0 | 0 | 0 | 116.3 | D1167 P1168 | D1167-S1170 WeakPolarHBondContact CB-OG 3.28Å; D1167-S1170 WeakPolarHBondContact O-CB 3.37Å; D1167-S1170 PolarHBondContact O-N 3.44Å; D1167-S1170 PolarHBondContact O-OG 3.3Å; P1168-S1170 VanDerWaalsContact C-N 3.31Å |
| 1171 | S | 50.7 | Low | 61.8 | Low | 115 Ų | 115 | 83.2 Ų | 83.2 | 80% | 0.804 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 0.6 | -177.7 | 54.4 | 0 | 0 | 0 | 0 | 114 | C1169 | C1169-S1171 VanDerWaalsContact C-N 3.32Å; C1169-S1171 PolarHBondContact O-N 2.86Å |
| 1172 | M | 53.9 | Low | 61.6 | Low | 68 Ų | 68 | 91.2 Ų | 91.2 | 34% | 0.335 | 47% | 0.473 | S | S | . | . | trans | -92.7 | 109 | -173.4 | -91.5 | -80.8 | -91 | 0 | 0 | 112.4 | C1169 G1183 | C1169-M1172 PolarHBondContact O-N 3.08Å; M1172-G1183 WeakPolarHBondContact CE-O 3.25Å | ||
| 1173 | R | 59.7 | Low | 61.7 | Low | 152 Ų | 152 | 86.9 Ų | 86.9 | 57% | 0.574 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 123.5 | 162.2 | -85.4 | -176.7 | 170.6 | -177.7 | -4.7 | 109.6 | F1158 | F1158-R1173 PolarHBondContact O-NH2 3.25Å; F1158-R1173 VanDerWaalsContact O-NH2 3.15Å |
| 1174 | C | 75.2 | Confident | 62.5 | Low | 34 Ų | 34 | 93.2 Ų | 93.2 | 23% | 0.23 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -99.8 | 163.4 | 165 | -55.2 | 0 | 0 | 0 | 0 | 110 | A1178 C1180 C1185 | C1174-A1178 HydrophobicContact CB-CB 4.09Å; C1174-C1180 PolarHBondContact SG-N 3.43Å; C1174-C1185 WeakPolarHBondContact CA-SG 3.32Å; C1174-C1185 HydrophobicContact CB-CB 3.59Å; C1174-C1185 WeakPolarHBondContact CB-SG 3.29Å; C1174-C1185 VanDerWaalsContact SG-CA 3.55Å; C1174-C1185 WeakPolarHBondContact SG-CB 3.28Å; C1174-C1185 CovalentContact SG-SG 2.04Å; C1174-C1185 PolarHBondContact SG-SG 2.72Å |
| 1175 | H | 79.6 | Confident | 63.8 | Low | 45 Ų | 45 | 87.5 Ų | 87.5 | 21% | 0.208 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 153.3 | 170.6 | -179.5 | -102.4 | 0 | 0 | 0 | 111.3 | N1177 A1178 G1195 H1197 C1199 | H1175-N1177 VanDerWaalsContact C-N 3.26Å; H1175-N1177 PolarHBondContact CE1-ND2 2.97Å; H1175-N1177 PolarHBondContact ND1-N 3.03Å; H1175-N1177 PolarHBondContact O-N 3.04Å; H1175-A1178 HydrophobicContact CB-CB 4.2Å; H1175-A1178 WeakPolarHBondContact O-CA 3.12Å; H1175-A1178 VanDerWaalsContact O-CB 3.29Å; H1175-A1178 WeakPolarHBondContact O-CB 3.36Å; H1175-A1178 PolarHBondContact O-N 3.13Å; H1175-G1195 WeakPolarHBondContact CB-O 3.49Å; H1175-G1195 PolarHBondContact N-O 2.91Å; H1175-H1197 PolarHBondContact CD2-O 3.03Å; H1175-C1199 PolarHBondContact CE1-N 2.58Å; H1175-C1199 PolarHBondContact CE1-O 2.74Å; H1175-C1199 WeakPolarHBondContact ND1-CB 3.43Å; H1175-C1199 PolarHBondContact ND1-N 3.33Å |
| 1176 | I | 70.9 | Confident | 65.6 | Low | 120 Ų | 120 | 88.6 Ų | 88.6 | 62% | 0.615 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -31.6 | -172.2 | -168.5 | 167.8 | 0 | 0 | 0 | 113.8 | A1178 | I1176-A1178 VanDerWaalsContact C-N 3.29Å; I1176-A1178 PolarHBondContact O-N 2.95Å |
| 1177 | N | 73.9 | Confident | 67.8 | Low | 35 Ų | 35 | 82 Ų | 82 | 19% | 0.187 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 31.9 | 173.8 | -46.3 | -47.3 | 0 | 0 | 0 | 112.2 | H1175 C1187 L1188 Y1191 C1199 | H1175-N1177 VanDerWaalsContact C-N 3.26Å; H1175-N1177 PolarHBondContact CE1-ND2 2.97Å; H1175-N1177 PolarHBondContact ND1-N 3.03Å; H1175-N1177 PolarHBondContact O-N 3.04Å; N1177-C1187 CarbonylContact O-C 3.57Å; N1177-C1187 WeakPolarHBondContact O-CA 3.48Å; N1177-L1188 PolarHBondContact O-N 2.7Å; N1177-Y1191 HydrophobicContact CB-CD1 3.4Å; N1177-Y1191 HydrophobicContact CB-CD2 4.12Å; N1177-Y1191 HydrophobicContact CB-CE1 3.66Å; N1177-Y1191 HydrophobicContact CB-CE2 4.35Å; N1177-Y1191 HydrophobicContact CB-CG 3.66Å; N1177-Y1191 VanDerWaalsContact CG-CD1 3.46Å; N1177-Y1191 WeakPolarHBondContact ND2-CD1 3.38Å; N1177-Y1191 WeakPolarHBondContact ND2-CE1 3.04Å; N1177-C1199 HydrophobicContact CB-CB 3.94Å; N1177-C1199 PolarHBondContact ND2-O 2.77Å |
| 1178 | A | 83 | Confident | 69.3 | Low | 14 Ų | 14 | 81.6 Ų | 81.6 | 12% | 0.116 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1174 H1175 I1176 R1186 G1195 | C1174-A1178 HydrophobicContact CB-CB 4.09Å; H1175-A1178 HydrophobicContact CB-CB 4.2Å; H1175-A1178 WeakPolarHBondContact O-CA 3.12Å; H1175-A1178 VanDerWaalsContact O-CB 3.29Å; H1175-A1178 WeakPolarHBondContact O-CB 3.36Å; H1175-A1178 PolarHBondContact O-N 3.13Å; I1176-A1178 VanDerWaalsContact C-N 3.29Å; I1176-A1178 PolarHBondContact O-N 2.95Å; A1178-R1186 CarbonylContact C-O 3.59Å; A1178-R1186 WeakPolarHBondContact CA-O 3.5Å; A1178-R1186 WeakPolarHBondContact CB-O 3.37Å; A1178-G1195 WeakPolarHBondContact CB-O 3.24Å |
| 1179 | K | 75.5 | Confident | 70.3 | Confident | 122 Ų | 122 | 84.8 Ų | 84.8 | 53% | 0.53 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 140.2 | -178.5 | -163.6 | 171.8 | -175.6 | 177.6 | 0 | 112.2 | F1181 R1186 L1188 | K1179-F1181 HydrophobicContact CD-CE2 4.2Å; K1179-F1181 PolarHBondContact O-N 2.91Å; K1179-R1186 PolarHBondContact N-O 3.3Å; K1179-R1186 PolarHBondContact O-N 2.79Å; K1179-L1188 HydrophobicContact CB-CD2 4.13Å |
| 1180 | C | 76.4 | Confident | 70.2 | Confident | 33 Ų | 33 | 84.7 Ų | 84.7 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 123.6 | 170.8 | -162 | 0 | 0 | 0 | 0 | 109.5 | C1169 C1174 E1184 | C1169-C1180 HydrophobicContact CB-CB 4.06Å; C1169-C1180 WeakPolarHBondContact CB-SG 3.49Å; C1169-C1180 WeakPolarHBondContact SG-CB 3.44Å; C1169-C1180 CovalentContact SG-SG 2.06Å; C1169-C1180 PolarHBondContact SG-SG 3.11Å; C1174-C1180 PolarHBondContact SG-N 3.43Å; C1180-E1184 CarbonylContact C-O 3.43Å; C1180-E1184 WeakPolarHBondContact CA-O 3.23Å |
| 1181 | F | 69.3 | Low | 71 | Confident | 140 Ų | 140 | 87.3 Ų | 87.3 | 61% | 0.614 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 111.4 | 166.7 | -92.6 | -84.5 | 0 | 0 | 0 | 107.5 | K1179 G1183 E1184 | K1179-F1181 HydrophobicContact CD-CE2 4.2Å; K1179-F1181 PolarHBondContact O-N 2.91Å; F1181-G1183 PolarHBondContact O-N 2.98Å; F1181-G1183 VanDerWaalsContact O-N 3.12Å; F1181-E1184 PolarHBondContact N-O 2.86Å; F1181-E1184 PolarHBondContact O-N 3.42Å |
| 1182 | D | 62.7 | Low | 71.6 | Confident | 169 Ų | 169 | 87.9 Ų | 87.9 | 90% | 0.904 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 36.5 | 173 | -134.9 | 16.8 | 0 | 0 | 0 | 114.8 | ||
| 1183 | G | 62.2 | Low | 72.8 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -13.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.6 | M1172 F1181 | M1172-G1183 WeakPolarHBondContact CE-O 3.25Å; F1181-G1183 PolarHBondContact O-N 2.98Å; F1181-G1183 VanDerWaalsContact O-N 3.12Å |
| 1184 | E | 65.8 | Low | 73.1 | Confident | 155 Ų | 155 | 82.2 Ų | 82.2 | 72% | 0.724 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 145.5 | 172.9 | -76.9 | -157.8 | 135.3 | 0 | 0 | 112.9 | C1180 F1181 | C1180-E1184 CarbonylContact C-O 3.43Å; C1180-E1184 WeakPolarHBondContact CA-O 3.23Å; F1181-E1184 PolarHBondContact N-O 2.86Å; F1181-E1184 PolarHBondContact O-N 3.42Å |
| 1185 | C | 83.4 | Confident | 73.2 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 12% | 0.122 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122 | 172.3 | -68.9 | 0 | 0 | 0 | 0 | 110.5 | C1174 G1195 | C1174-C1185 WeakPolarHBondContact CA-SG 3.32Å; C1174-C1185 HydrophobicContact CB-CB 3.59Å; C1174-C1185 WeakPolarHBondContact CB-SG 3.29Å; C1174-C1185 VanDerWaalsContact SG-CA 3.55Å; C1174-C1185 WeakPolarHBondContact SG-CB 3.28Å; C1174-C1185 CovalentContact SG-SG 2.04Å; C1174-C1185 PolarHBondContact SG-SG 2.72Å; C1185-G1195 VanDerWaalsContact CB-O 3.26Å; C1185-G1195 WeakPolarHBondContact CB-O 3.34Å |
| 1186 | R | 80.7 | Confident | 72.9 | Confident | 189 Ų | 189 | 83.8 Ų | 83.8 | 71% | 0.713 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.2 | -177.5 | -164.8 | 173 | -174.8 | 165.3 | 3.5 | 111.9 | A1178 K1179 | A1178-R1186 CarbonylContact C-O 3.59Å; A1178-R1186 WeakPolarHBondContact CA-O 3.5Å; A1178-R1186 WeakPolarHBondContact CB-O 3.37Å; K1179-R1186 PolarHBondContact N-O 3.3Å; K1179-R1186 PolarHBondContact O-N 2.79Å |
| 1187 | C | 84.6 | Confident | 73.1 | Confident | 29 Ų | 29 | 84.4 Ų | 84.4 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 146.4 | 178 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | N1177 G1193 C1199 | N1177-C1187 CarbonylContact O-C 3.57Å; N1177-C1187 WeakPolarHBondContact O-CA 3.48Å; C1187-G1193 PolarHBondContact SG-N 3.39Å; C1187-G1193 PolarHBondContact SG-O 3.13Å; C1187-C1199 WeakPolarHBondContact CA-SG 3.26Å; C1187-C1199 HydrophobicContact CB-CB 3.81Å; C1187-C1199 WeakPolarHBondContact CB-SG 3.37Å; C1187-C1199 WeakPolarHBondContact SG-CB 3.4Å; C1187-C1199 CovalentContact SG-SG 2.03Å; C1187-C1199 PolarHBondContact SG-SG 2.8Å |
| 1188 | L | 79.5 | Confident | 73.2 | Confident | 75 Ų | 75 | 88.4 Ų | 88.4 | 39% | 0.393 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 155.7 | 175.1 | -63.1 | 174.5 | 0 | 0 | 0 | 111.2 | N1177 K1179 G1190 Y1191 | N1177-L1188 PolarHBondContact O-N 2.7Å; K1179-L1188 HydrophobicContact CB-CD2 4.13Å; L1188-G1190 PolarHBondContact O-N 3.05Å; L1188-Y1191 HydrophobicContact CB-CD2 4.32Å; L1188-Y1191 WeakPolarHBondContact O-CB 3.43Å; L1188-Y1191 PolarHBondContact O-N 2.76Å |
| 1189 | D | 71.3 | Confident | 72.9 | Confident | 171 Ų | 171 | 87.8 Ų | 87.8 | 91% | 0.914 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 130.6 | 177.8 | -74.5 | -46.6 | 0 | 0 | 0 | 111.6 | ||
| 1190 | G | 58.4 | Low | 72.5 | Confident | 39 Ų | 39 | 86.2 Ų | 86.2 | 40% | 0.402 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 3.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1188 P1201 I1202 | L1188-G1190 PolarHBondContact O-N 3.05Å; G1190-P1201 CarbonylContact O-C 3.58Å; G1190-P1201 WeakPolarHBondContact O-CA 3.35Å; G1190-I1202 PolarHBondContact O-N 2.79Å |
| 1191 | Y | 75.5 | Confident | 71.3 | Confident | 82 Ų | 82 | 88.2 Ų | 88.2 | 32% | 0.322 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 153.6 | 175.4 | -61.2 | -103.3 | 0 | 0 | 0 | 112.1 | N1177 L1188 C1199 D1200 P1201 | N1177-Y1191 HydrophobicContact CB-CD1 3.4Å; N1177-Y1191 HydrophobicContact CB-CD2 4.12Å; N1177-Y1191 HydrophobicContact CB-CE1 3.66Å; N1177-Y1191 HydrophobicContact CB-CE2 4.35Å; N1177-Y1191 HydrophobicContact CB-CG 3.66Å; N1177-Y1191 VanDerWaalsContact CG-CD1 3.46Å; N1177-Y1191 WeakPolarHBondContact ND2-CD1 3.38Å; N1177-Y1191 WeakPolarHBondContact ND2-CE1 3.04Å; L1188-Y1191 HydrophobicContact CB-CD2 4.32Å; L1188-Y1191 WeakPolarHBondContact O-CB 3.43Å; L1188-Y1191 PolarHBondContact O-N 2.76Å; Y1191-C1199 WeakPolarHBondContact CD1-O 3.02Å; Y1191-D1200 CarbonylContact C-O 3.55Å; Y1191-D1200 WeakPolarHBondContact CA-O 3.41Å; Y1191-P1201 VanDerWaalsContact CD1-CA 3.41Å; Y1191-P1201 HydrophobicContact CD1-CB 3.81Å; Y1191-P1201 HydrophobicContact CD1-CG 4.39Å; Y1191-P1201 VanDerWaalsContact CD1-N 3.28Å; Y1191-P1201 HydrophobicContact CE1-CB 3.56Å; Y1191-P1201 HydrophobicContact CE1-CG 4.06Å |
| 1192 | Q | 61.5 | Low | 70.9 | Confident | 126 Ų | 126 | 85.3 Ų | 85.3 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142.6 | 176.8 | 64.6 | 176.4 | 14.4 | 0 | 0 | 112 | C1199 D1200 I1202 | Q1192-C1199 CarbonylContact O-C 3.38Å; Q1192-C1199 VanDerWaalsContact O-CA 3.31Å; Q1192-C1199 WeakPolarHBondContact O-CA 3.14Å; Q1192-D1200 PolarHBondContact N-O 2.93Å; Q1192-D1200 PolarHBondContact O-N 2.9Å; Q1192-I1202 HydrophobicContact CB-CD1 4.21Å; Q1192-I1202 HydrophobicContact CB-CG1 4.11Å; Q1192-I1202 HydrophobicContact CG-CG1 3.95Å |
| 1193 | G | 79.4 | Confident | 69.9 | Low | 36 Ų | 36 | 80.6 Ų | 80.6 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | -167.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1187 G1195 Y1198 | C1187-G1193 PolarHBondContact SG-N 3.39Å; C1187-G1193 PolarHBondContact SG-O 3.13Å; G1193-G1195 VanDerWaalsContact C-N 3.34Å; G1193-Y1198 CarbonylContact C-O 3.57Å; G1193-Y1198 WeakPolarHBondContact CA-O 3.01Å |
| 1194 | D | 67.2 | Low | 69.2 | Low | 66 Ų | 66 | 88.5 Ų | 88.5 | 35% | 0.353 | 45% | 0.448 | S | S | . | . | trans | -82.3 | -8.1 | -177.6 | 80.4 | -20.3 | 0 | 0 | 0 | 114.1 | K1196 H1197 Y1198 | D1194-K1196 PolarHBondContact O-N 3.06Å; D1194-K1196 VanDerWaalsContact O-N 3.13Å; D1194-K1196 PolarHBondContact OD1-N 3.13Å; D1194-H1197 PolarHBondContact OD1-N 3.44Å; D1194-H1197 IonicContact OD2-CE1 3.36Å; D1194-H1197 IonicContact OD2-CG 3.09Å; D1194-H1197 PolarHBondContact OD2-N 3.17Å; D1194-H1197 IonicContact OD2-ND1 3.43Å; D1194-H1197 PolarHBondContact OD2-ND1 3.29Å; D1194-Y1198 HydrophobicContact CB-CD1 4.09Å; D1194-Y1198 HydrophobicContact CB-CE1 3.66Å; D1194-Y1198 PolarHBondContact N-O 2.88Å; D1194-Y1198 WeakPolarHBondContact OD1-CD1 3.44Å; D1194-Y1198 PolarHBondContact OD1-N 2.92Å | ||
| 1195 | G | 76 | Confident | 68.1 | Low | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 45% | 0.446 | C | S | . | . | S | Bend | trans | 78.6 | -19 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | H1175 A1178 C1185 G1193 Y1198 C1199 | H1175-G1195 WeakPolarHBondContact CB-O 3.49Å; H1175-G1195 PolarHBondContact N-O 2.91Å; A1178-G1195 WeakPolarHBondContact CB-O 3.24Å; C1185-G1195 VanDerWaalsContact CB-O 3.26Å; C1185-G1195 WeakPolarHBondContact CB-O 3.34Å; G1193-G1195 VanDerWaalsContact C-N 3.34Å; G1195-Y1198 PolarHBondContact N-O 2.77Å; G1195-C1199 WeakPolarHBondContact CA-SG 3.41Å |
| 1196 | K | 74 | Confident | 66.4 | Low | 111 Ų | 111 | 89.9 Ų | 89.9 | 48% | 0.483 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -108.7 | -44.2 | -169.6 | -169.3 | 173.3 | -178 | 177.1 | 0 | 112.5 | D1194 | D1194-K1196 PolarHBondContact O-N 3.06Å; D1194-K1196 VanDerWaalsContact O-N 3.13Å; D1194-K1196 PolarHBondContact OD1-N 3.13Å |
| 1197 | H | 75.1 | Confident | 65.3 | Low | 133 Ų | 133 | 82.5 Ų | 82.5 | 62% | 0.616 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -111.7 | -31 | 178.1 | -48.4 | 97.3 | 0 | 0 | 0 | 112.1 | H1175 D1194 | H1175-H1197 PolarHBondContact CD2-O 3.03Å; D1194-H1197 PolarHBondContact OD1-N 3.44Å; D1194-H1197 IonicContact OD2-CE1 3.36Å; D1194-H1197 IonicContact OD2-CG 3.09Å; D1194-H1197 PolarHBondContact OD2-N 3.17Å; D1194-H1197 IonicContact OD2-ND1 3.43Å; D1194-H1197 PolarHBondContact OD2-ND1 3.29Å |
| 1198 | Y | 75.6 | Confident | 63.5 | Low | 120 Ų | 120 | 88.6 Ų | 88.6 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | trans | -148.6 | 148.1 | -179.6 | 71.4 | -71.5 | 0 | 0 | 0 | 113.7 | G1193 D1194 G1195 | G1193-Y1198 CarbonylContact C-O 3.57Å; G1193-Y1198 WeakPolarHBondContact CA-O 3.01Å; D1194-Y1198 HydrophobicContact CB-CD1 4.09Å; D1194-Y1198 HydrophobicContact CB-CE1 3.66Å; D1194-Y1198 PolarHBondContact N-O 2.88Å; D1194-Y1198 WeakPolarHBondContact OD1-CD1 3.44Å; D1194-Y1198 PolarHBondContact OD1-N 2.92Å; G1195-Y1198 PolarHBondContact N-O 2.77Å | ||
| 1199 | C | 78 | Confident | 61.9 | Low | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 105.8 | 164.5 | -67.9 | 0 | 0 | 0 | 0 | 107.7 | H1175 N1177 C1187 Y1191 Q1192 G1195 | H1175-C1199 PolarHBondContact CE1-N 2.58Å; H1175-C1199 PolarHBondContact CE1-O 2.74Å; H1175-C1199 WeakPolarHBondContact ND1-CB 3.43Å; H1175-C1199 PolarHBondContact ND1-N 3.33Å; N1177-C1199 HydrophobicContact CB-CB 3.94Å; N1177-C1199 PolarHBondContact ND2-O 2.77Å; C1187-C1199 WeakPolarHBondContact CA-SG 3.26Å; C1187-C1199 HydrophobicContact CB-CB 3.81Å; C1187-C1199 WeakPolarHBondContact CB-SG 3.37Å; C1187-C1199 WeakPolarHBondContact SG-CB 3.4Å; C1187-C1199 CovalentContact SG-SG 2.03Å; C1187-C1199 PolarHBondContact SG-SG 2.8Å; Y1191-C1199 WeakPolarHBondContact CD1-O 3.02Å; Q1192-C1199 CarbonylContact O-C 3.38Å; Q1192-C1199 VanDerWaalsContact O-CA 3.31Å; Q1192-C1199 WeakPolarHBondContact O-CA 3.14Å; G1195-C1199 WeakPolarHBondContact CA-SG 3.41Å |
| 1200 | D | 65 | Low | 61.2 | Low | 90 Ų | 90 | 86.8 Ų | 86.8 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 139.9 | -174.9 | -61.3 | -44.4 | 0 | 0 | 0 | 111.3 | Y1191 Q1192 I1202 | Y1191-D1200 CarbonylContact C-O 3.55Å; Y1191-D1200 WeakPolarHBondContact CA-O 3.41Å; Q1192-D1200 PolarHBondContact N-O 2.93Å; Q1192-D1200 PolarHBondContact O-N 2.9Å; D1200-I1202 PolarHBondContact O-N 2.88Å |
| 1201 | P | 52.7 | Low | 61.4 | Low | 74 Ų | 74 | 95.1 Ų | 95.1 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 127.7 | 179.1 | 24.1 | -31.2 | 0 | 0 | 0 | 110.4 | G1190 Y1191 P1203 | G1190-P1201 CarbonylContact O-C 3.58Å; G1190-P1201 WeakPolarHBondContact O-CA 3.35Å; Y1191-P1201 VanDerWaalsContact CD1-CA 3.41Å; Y1191-P1201 HydrophobicContact CD1-CB 3.81Å; Y1191-P1201 HydrophobicContact CD1-CG 4.39Å; Y1191-P1201 VanDerWaalsContact CD1-N 3.28Å; Y1191-P1201 HydrophobicContact CE1-CB 3.56Å; Y1191-P1201 HydrophobicContact CE1-CG 4.06Å; P1201-P1203 WeakPolarHBondContact O-CD 3.38Å; P1201-P1203 WeakPolarHBondContact O-CG 3.29Å |
| 1202 | I | 60.7 | Low | 61.5 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 41% | 0.405 | 47% | 0.465 | S | S | . | . | trans | -73 | 100 | 173.6 | -55.9 | 167 | 0 | 0 | 0 | 106.6 | G1190 Q1192 D1200 | G1190-I1202 PolarHBondContact O-N 2.79Å; Q1192-I1202 HydrophobicContact CB-CD1 4.21Å; Q1192-I1202 HydrophobicContact CB-CG1 4.11Å; Q1192-I1202 HydrophobicContact CG-CG1 3.95Å; D1200-I1202 PolarHBondContact O-N 2.88Å | ||
| 1203 | P | 41 | Very low | 62.4 | Low | 70 Ų | 70 | 89.5 Ų | 89.5 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | trans | -78.2 | 146.7 | -162.2 | 0 | 16.5 | 0 | 0 | 0 | 110.8 | P1201 Q1206 | P1201-P1203 WeakPolarHBondContact O-CD 3.38Å; P1201-P1203 WeakPolarHBondContact O-CG 3.29Å; P1203-Q1206 HydrophobicContact CB-CB 4.47Å; P1203-Q1206 HydrophobicContact CB-CG 3.95Å; P1203-Q1206 HydrophobicContact CG-CG 4.29Å; P1203-Q1206 WeakPolarHBondContact O-CG 2.95Å; P1203-Q1206 PolarHBondContact O-NE2 2.78Å | ||
| 1204 | Q | 48.3 | Very low | 62.1 | Low | 196 Ų | 196 | 95.2 Ų | 95.2 | 92% | 0.916 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -96.9 | -24.4 | -167.6 | -66.7 | -173.6 | -7.6 | 0 | 0 | 115 | ||
| 1205 | D | 41.6 | Very low | 62.5 | Low | 129 Ų | 129 | 95.2 Ų | 95.2 | 69% | 0.69 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -137.9 | 109.1 | 160.6 | -178.1 | -1.3 | 0 | 0 | 0 | 106.5 | ||
| 1206 | Q | 49.4 | Very low | 62.8 | Low | 72 Ų | 72 | 95.8 Ų | 95.8 | 34% | 0.336 | 47% | 0.467 | S | S | . | . | trans | -97.5 | -5 | -152.8 | -48.1 | -172.8 | -9.7 | 0 | 0 | 113.1 | P1203 I1210 N1220 G1221 | P1203-Q1206 HydrophobicContact CB-CB 4.47Å; P1203-Q1206 HydrophobicContact CB-CG 3.95Å; P1203-Q1206 HydrophobicContact CG-CG 4.29Å; P1203-Q1206 WeakPolarHBondContact O-CG 2.95Å; P1203-Q1206 PolarHBondContact O-NE2 2.78Å; Q1206-I1210 WeakPolarHBondContact O-CD1 3.38Å; Q1206-N1220 PolarHBondContact OE1-O 2.82Å; Q1206-G1221 WeakPolarHBondContact O-CA 3.42Å | ||
| 1207 | C | 56.3 | Low | 63.1 | Low | 34 Ų | 34 | 95.2 Ų | 95.2 | 23% | 0.23 | 47% | 0.47 | C | S | . | . | trans | -95.6 | -7.9 | -164.8 | -95.8 | 0 | 0 | 0 | 0 | 118.6 | C1218 Q1219 N1220 G1221 | C1207-C1218 WeakPolarHBondContact CA-SG 3.35Å; C1207-C1218 HydrophobicContact CB-CB 3.98Å; C1207-C1218 WeakPolarHBondContact CB-SG 3.36Å; C1207-C1218 WeakPolarHBondContact SG-CB 3.42Å; C1207-C1218 PolarHBondContact SG-O 2.65Å; C1207-C1218 CovalentContact SG-SG 2.04Å; C1207-C1218 PolarHBondContact SG-SG 3.24Å; C1207-Q1219 PolarHBondContact SG-N 3.47Å; C1207-N1220 PolarHBondContact SG-N 3.09Å; C1207-G1221 PolarHBondContact SG-N 3.22Å | ||
| 1208 | Q | 48 | Very low | 63.2 | Low | 158 Ų | 158 | 90.6 Ų | 90.6 | 74% | 0.738 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 145.2 | -179.2 | -75.8 | -168.6 | -1.2 | 0 | 0 | 112.5 | I1210 | Q1208-I1210 PolarHBondContact O-N 2.77Š|
| 1209 | N | 44.4 | Very low | 62.9 | Low | 153 Ų | 153 | 91 Ų | 91 | 82% | 0.818 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 0.8 | -178.6 | -63.8 | -8.8 | 0 | 0 | 0 | 117.2 | R1211 | N1209-R1211 PolarHBondContact O-N 3.33Š|
| 1210 | I | 57.3 | Low | 62 | Low | 54 Ų | 54 | 97.2 Ų | 97.2 | 28% | 0.277 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 117.7 | 170.3 | -72.1 | -178.4 | 0 | 0 | 0 | 109.6 | Q1206 Q1208 G1221 C1223 Y1234 | Q1206-I1210 WeakPolarHBondContact O-CD1 3.38Å; Q1208-I1210 PolarHBondContact O-N 2.77Å; I1210-G1221 WeakPolarHBondContact CD1-O 3.2Å; I1210-C1223 WeakPolarHBondContact CG2-SG 3.45Å; I1210-Y1234 HydrophobicContact CG2-CD1 4.45Å; I1210-Y1234 HydrophobicContact CG2-CE1 3.69Å |
| 1211 | R | 63.3 | Low | 61.9 | Low | 215 Ų | 215 | 93.3 Ų | 93.3 | 81% | 0.811 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -93.7 | 122 | 175.5 | -164.7 | -170.2 | -53.6 | 179 | 6.6 | 108.8 | N1209 | N1209-R1211 PolarHBondContact O-N 3.33Š|
| 1212 | C | 76.4 | Confident | 62.8 | Low | 35 Ų | 35 | 98.5 Ų | 98.5 | 24% | 0.236 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -103.9 | 159 | -179.7 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | A1216 C1223 G1233 | C1212-A1216 HydrophobicContact CB-CB 3.74Å; C1212-C1223 WeakPolarHBondContact CA-SG 3.39Å; C1212-C1223 HydrophobicContact CB-CB 3.67Å; C1212-C1223 WeakPolarHBondContact CB-SG 3.45Å; C1212-C1223 WeakPolarHBondContact SG-CA 3.36Å; C1212-C1223 WeakPolarHBondContact SG-CB 3.24Å; C1212-C1223 CovalentContact SG-SG 2.03Å; C1212-C1223 PolarHBondContact SG-SG 2.98Å; C1212-G1233 CarbonylContact C-O 3.45Å; C1212-G1233 VanDerWaalsContact CA-O 3.3Å; C1212-G1233 WeakPolarHBondContact CA-O 3.46Å; C1212-G1233 WeakPolarHBondContact CB-O 3.43Å |
| 1213 | H | 81.4 | Confident | 63.7 | Low | 54 Ų | 54 | 95.1 Ų | 95.1 | 25% | 0.25 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 153.6 | 165.7 | -177.8 | -95.8 | 0 | 0 | 0 | 111.1 | F1215 A1216 G1233 W1235 C1237 | H1213-F1215 AromaticContact CE1-CD2 3.77Å; H1213-F1215 PolarHBondContact ND1-N 3.39Å; H1213-F1215 PolarHBondContact O-N 3.44Å; H1213-A1216 PolarHBondContact O-N 3.45Å; H1213-G1233 PolarHBondContact N-O 2.81Å; H1213-W1235 PolarHBondContact CD2-O 3.17Å; H1213-C1237 PolarHBondContact CE1-N 2.86Å; H1213-C1237 VanDerWaalsContact CE1-N 3.31Å; H1213-C1237 PolarHBondContact CE1-O 2.96Å; H1213-C1237 VanDerWaalsContact CE1-O 3.3Å; H1213-C1237 WeakPolarHBondContact ND1-CB 3.27Å; H1213-C1237 PolarHBondContact ND1-N 3.23Å |
| 1214 | E | 72.4 | Confident | 65.3 | Low | 156 Ų | 156 | 97.4 Ų | 97.4 | 73% | 0.729 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -39.8 | -175.3 | -176.1 | 177.7 | 133.7 | 0 | 0 | 113.2 | ||
| 1215 | F | 75.8 | Confident | 66.8 | Low | 66 Ų | 66 | 89.2 Ų | 89.2 | 29% | 0.289 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 30.5 | 178.2 | -47.9 | -57 | 0 | 0 | 0 | 114.5 | H1213 C1225 N1226 Y1229 C1237 | H1213-F1215 AromaticContact CE1-CD2 3.77Å; H1213-F1215 PolarHBondContact ND1-N 3.39Å; H1213-F1215 PolarHBondContact O-N 3.44Å; F1215-C1225 CarbonylContact O-C 3.4Å; F1215-C1225 VanDerWaalsContact O-CA 3.32Å; F1215-C1225 WeakPolarHBondContact O-CA 3.16Å; F1215-N1226 PolarHBondContact O-N 2.89Å; F1215-N1226 PolarHBondContact O-ND2 2.85Å; F1215-Y1229 HydrophobicContact CB-CD1 3.36Å; F1215-Y1229 HydrophobicContact CB-CD2 4.05Å; F1215-Y1229 HydrophobicContact CB-CE1 3.51Å; F1215-Y1229 HydrophobicContact CB-CE2 4.18Å; F1215-Y1229 HydrophobicContact CB-CG 3.66Å; F1215-Y1229 AromaticContact CD1-CE1 3.89Å; F1215-Y1229 HydrophobicContact CD1-CE1 3.89Å; F1215-Y1229 HydrophobicContact CD1-CE2 4.31Å; F1215-Y1229 AromaticContact CD1-CZ 3.72Å; F1215-Y1229 AromaticContact CD2-CD1 3.86Å; F1215-Y1229 HydrophobicContact CD2-CD1 3.86Å; F1215-Y1229 AromaticContact CD2-CE1 3.33Å; F1215-Y1229 HydrophobicContact CD2-CE1 3.33Å; F1215-Y1229 HydrophobicContact CE2-CE1 4.03Å; F1215-Y1229 AromaticContact CG-CD1 3.7Å; F1215-Y1229 HydrophobicContact CG-CD1 3.7Å; F1215-Y1229 AromaticContact CG-CE1 3.27Å; F1215-Y1229 HydrophobicContact CG-CE1 3.27Å; F1215-Y1229 HydrophobicContact CG-CE2 4.27Å; F1215-Y1229 HydrophobicContact CG-CG 4.36Å; F1215-Y1229 AromaticContact CG-CZ 3.6Å; F1215-C1237 HydrophobicContact CB-CB 3.87Å |
| 1216 | A | 83.5 | Confident | 68.6 | Low | 12 Ų | 12 | 85.2 Ų | 85.2 | 10% | 0.099 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C1212 H1213 C1223 Q1224 N1226 C1237 | C1212-A1216 HydrophobicContact CB-CB 3.74Å; H1213-A1216 PolarHBondContact O-N 3.45Å; A1216-C1223 HydrophobicContact CB-CB 4.06Å; A1216-Q1224 CarbonylContact C-O 3.53Å; A1216-Q1224 VanDerWaalsContact CA-O 3.29Å; A1216-Q1224 WeakPolarHBondContact CA-O 3.48Å; A1216-Q1224 WeakPolarHBondContact CB-O 3.43Å; A1216-N1226 PolarHBondContact N-ND2 2.9Å; A1216-C1237 VanDerWaalsContact CB-SG 3.52Å |
| 1217 | N | 79 | Confident | 69.6 | Low | 100 Ų | 100 | 87.3 Ų | 87.3 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.8 | 164.1 | -105.9 | -72.4 | 0 | 0 | 0 | 109.2 | Q1219 Q1224 N1226 | N1217-Q1219 PolarHBondContact O-N 3.25Å; N1217-Q1224 PolarHBondContact N-O 3.1Å; N1217-Q1224 PolarHBondContact O-N 3.02Å; N1217-N1226 WeakPolarHBondContact CB-OD1 3.48Å; N1217-N1226 PolarHBondContact N-OD1 2.84Å; N1217-N1226 PolarHBondContact ND2-OD1 3.3Å |
| 1218 | C | 77.6 | Confident | 69.3 | Low | 35 Ų | 35 | 86.6 Ų | 86.6 | 24% | 0.236 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123.5 | 169.3 | -168.5 | 0 | 0 | 0 | 0 | 110.1 | C1207 R1222 | C1207-C1218 WeakPolarHBondContact CA-SG 3.35Å; C1207-C1218 HydrophobicContact CB-CB 3.98Å; C1207-C1218 WeakPolarHBondContact CB-SG 3.36Å; C1207-C1218 WeakPolarHBondContact SG-CB 3.42Å; C1207-C1218 PolarHBondContact SG-O 2.65Å; C1207-C1218 CovalentContact SG-SG 2.04Å; C1207-C1218 PolarHBondContact SG-SG 3.24Å; C1218-R1222 WeakPolarHBondContact CA-O 3.34Å |
| 1219 | Q | 68.8 | Low | 70.2 | Confident | 129 Ų | 129 | 82.2 Ų | 82.2 | 60% | 0.603 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.3 | 163.2 | -70 | -165 | 8 | 0 | 0 | 108.7 | C1207 N1217 G1221 R1222 | C1207-Q1219 PolarHBondContact SG-N 3.47Å; N1217-Q1219 PolarHBondContact O-N 3.25Å; Q1219-G1221 VanDerWaalsContact C-N 3.26Å; Q1219-G1221 PolarHBondContact O-N 3.1Å; Q1219-R1222 PolarHBondContact N-O 3.39Å; Q1219-R1222 PolarHBondContact O-N 2.89Å |
| 1220 | N | 59.9 | Low | 70.9 | Confident | 130 Ų | 130 | 80.5 Ų | 80.5 | 70% | 0.695 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.9 | 54.2 | -176.9 | -65 | -6.8 | 0 | 0 | 0 | 112.7 | Q1206 C1207 R1222 | Q1206-N1220 PolarHBondContact OE1-O 2.82Å; C1207-N1220 PolarHBondContact SG-N 3.09Å; N1220-R1222 PolarHBondContact O-N 3.1Å; N1220-R1222 VanDerWaalsContact O-N 3.08Å |
| 1221 | G | 61.5 | Low | 71.7 | Confident | 8 Ų | 8 | 80.1 Ų | 80.1 | 8% | 0.082 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q1206 C1207 I1210 Q1219 Y1234 | Q1206-G1221 WeakPolarHBondContact O-CA 3.42Å; C1207-G1221 PolarHBondContact SG-N 3.22Å; I1210-G1221 WeakPolarHBondContact CD1-O 3.2Å; Q1219-G1221 VanDerWaalsContact C-N 3.26Å; Q1219-G1221 PolarHBondContact O-N 3.1Å; G1221-Y1234 PolarHBondContact O-OH 3.4Å |
| 1222 | R | 72.2 | Confident | 71.8 | Confident | 183 Ų | 183 | 73.7 Ų | 73.7 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.1 | 158.2 | -73.5 | -176.3 | 166.9 | 119.1 | -2.7 | 108.7 | C1218 Q1219 N1220 Q1224 | C1218-R1222 WeakPolarHBondContact CA-O 3.34Å; Q1219-R1222 PolarHBondContact N-O 3.39Å; Q1219-R1222 PolarHBondContact O-N 2.89Å; N1220-R1222 PolarHBondContact O-N 3.1Å; N1220-R1222 VanDerWaalsContact O-N 3.08Å; R1222-Q1224 PolarHBondContact O-N 3.48Å; R1222-Q1224 VanDerWaalsContact O-N 3.08Å |
| 1223 | C | 80.8 | Confident | 71.7 | Confident | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.054 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 106.7 | 158.6 | -64.5 | 0 | 0 | 0 | 0 | 107.5 | I1210 C1212 A1216 G1233 Y1234 | I1210-C1223 WeakPolarHBondContact CG2-SG 3.45Å; C1212-C1223 WeakPolarHBondContact CA-SG 3.39Å; C1212-C1223 HydrophobicContact CB-CB 3.67Å; C1212-C1223 WeakPolarHBondContact CB-SG 3.45Å; C1212-C1223 WeakPolarHBondContact SG-CA 3.36Å; C1212-C1223 WeakPolarHBondContact SG-CB 3.24Å; C1212-C1223 CovalentContact SG-SG 2.03Å; C1212-C1223 PolarHBondContact SG-SG 2.98Å; A1216-C1223 HydrophobicContact CB-CB 4.06Å; C1223-G1233 WeakPolarHBondContact CB-O 3.22Å; C1223-G1233 PolarHBondContact SG-O 2.96Å; C1223-Y1234 HydrophobicContact CB-CD2 4.26Å; C1223-Y1234 HydrophobicContact CB-CE2 4.15Å |
| 1224 | Q | 74.5 | Confident | 71.5 | Confident | 119 Ų | 119 | 73.7 Ų | 73.7 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.9 | 166.5 | -87.3 | -167.8 | -22.3 | 0 | 0 | 108.2 | A1216 N1217 R1222 N1226 | A1216-Q1224 CarbonylContact C-O 3.53Å; A1216-Q1224 VanDerWaalsContact CA-O 3.29Å; A1216-Q1224 WeakPolarHBondContact CA-O 3.48Å; A1216-Q1224 WeakPolarHBondContact CB-O 3.43Å; N1217-Q1224 PolarHBondContact N-O 3.1Å; N1217-Q1224 PolarHBondContact O-N 3.02Å; R1222-Q1224 PolarHBondContact O-N 3.48Å; R1222-Q1224 VanDerWaalsContact O-N 3.08Å; Q1224-N1226 PolarHBondContact O-N 2.86Å |
| 1225 | C | 79.2 | Confident | 71.7 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 134.8 | 170.8 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | F1215 Y1229 G1231 C1237 | F1215-C1225 CarbonylContact O-C 3.4Å; F1215-C1225 VanDerWaalsContact O-CA 3.32Å; F1215-C1225 WeakPolarHBondContact O-CA 3.16Å; C1225-Y1229 WeakPolarHBondContact CB-O 3.19Å; C1225-G1231 PolarHBondContact SG-N 2.86Å; C1225-G1231 VanDerWaalsContact SG-N 3.38Å; C1225-C1237 WeakPolarHBondContact CA-SG 3.03Å; C1225-C1237 HydrophobicContact CB-CB 3.71Å; C1225-C1237 WeakPolarHBondContact CB-SG 3.41Å; C1225-C1237 WeakPolarHBondContact SG-CB 3.44Å; C1225-C1237 CovalentContact SG-SG 2.03Å; C1225-C1237 PolarHBondContact SG-SG 2.72Å |
| 1226 | N | 79.1 | Confident | 70.9 | Confident | 46 Ų | 46 | 77.8 Ų | 77.8 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 158.9 | -171.9 | -78.1 | -43.2 | 0 | 0 | 0 | 111 | F1215 A1216 N1217 Q1224 G1228 Y1229 | F1215-N1226 PolarHBondContact O-N 2.89Å; F1215-N1226 PolarHBondContact O-ND2 2.85Å; A1216-N1226 PolarHBondContact N-ND2 2.9Å; N1217-N1226 WeakPolarHBondContact CB-OD1 3.48Å; N1217-N1226 PolarHBondContact N-OD1 2.84Å; N1217-N1226 PolarHBondContact ND2-OD1 3.3Å; Q1224-N1226 PolarHBondContact O-N 2.86Å; N1226-G1228 CarbonylContact O-C 3.59Å; N1226-G1228 PolarHBondContact O-N 3.48Å; N1226-Y1229 HydrophobicContact CB-CD2 4.22Å; N1226-Y1229 PolarHBondContact O-N 2.78Å |
| 1227 | A | 70 | Confident | 70.3 | Confident | 115 Ų | 115 | 77.3 Ų | 77.3 | 95% | 0.95 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 108.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1228 | G | 49.7 | Very low | 68.9 | Low | 19 Ų | 19 | 77.9 Ų | 77.9 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.4 | 19.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1226 S1239 I1240 K1241 | N1226-G1228 CarbonylContact O-C 3.59Å; N1226-G1228 PolarHBondContact O-N 3.48Å; G1228-S1239 CarbonylContact O-C 3.42Å; G1228-S1239 VanDerWaalsContact O-C 3.31Å; G1228-S1239 WeakPolarHBondContact O-CA 3.48Å; G1228-S1239 WeakPolarHBondContact O-CB 3.38Å; G1228-S1239 PolarHBondContact O-OG 3.44Å; G1228-I1240 VanDerWaalsContact C-N 3.27Å; G1228-I1240 PolarHBondContact O-N 3.19Å; G1228-K1241 PolarHBondContact O-N 2.89Å |
| 1229 | Y | 68.3 | Low | 67.3 | Low | 66 Ų | 66 | 76.8 Ų | 76.8 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | trans | -141.3 | 150.6 | 172.9 | -68.7 | -102.6 | 0 | 0 | 0 | 112.7 | F1215 C1225 N1226 C1237 K1238 I1240 | F1215-Y1229 HydrophobicContact CB-CD1 3.36Å; F1215-Y1229 HydrophobicContact CB-CD2 4.05Å; F1215-Y1229 HydrophobicContact CB-CE1 3.51Å; F1215-Y1229 HydrophobicContact CB-CE2 4.18Å; F1215-Y1229 HydrophobicContact CB-CG 3.66Å; F1215-Y1229 AromaticContact CD1-CE1 3.89Å; F1215-Y1229 HydrophobicContact CD1-CE1 3.89Å; F1215-Y1229 HydrophobicContact CD1-CE2 4.31Å; F1215-Y1229 AromaticContact CD1-CZ 3.72Å; F1215-Y1229 AromaticContact CD2-CD1 3.86Å; F1215-Y1229 HydrophobicContact CD2-CD1 3.86Å; F1215-Y1229 AromaticContact CD2-CE1 3.33Å; F1215-Y1229 HydrophobicContact CD2-CE1 3.33Å; F1215-Y1229 HydrophobicContact CE2-CE1 4.03Å; F1215-Y1229 AromaticContact CG-CD1 3.7Å; F1215-Y1229 HydrophobicContact CG-CD1 3.7Å; F1215-Y1229 AromaticContact CG-CE1 3.27Å; F1215-Y1229 HydrophobicContact CG-CE1 3.27Å; F1215-Y1229 HydrophobicContact CG-CE2 4.27Å; F1215-Y1229 HydrophobicContact CG-CG 4.36Å; F1215-Y1229 AromaticContact CG-CZ 3.6Å; C1225-Y1229 WeakPolarHBondContact CB-O 3.19Å; N1226-Y1229 HydrophobicContact CB-CD2 4.22Å; N1226-Y1229 PolarHBondContact O-N 2.78Å; Y1229-C1237 HydrophobicContact CD1-CB 4.47Å; Y1229-K1238 CarbonylContact C-O 3.56Å; Y1229-K1238 WeakPolarHBondContact CA-O 3.29Å; Y1229-K1238 VanDerWaalsContact CD1-C 3.47Å; Y1229-I1240 VanDerWaalsContact C-CD1 3.48Å; Y1229-I1240 VanDerWaalsContact C-CG1 3.44Å; Y1229-I1240 WeakPolarHBondContact O-CD1 3.33Å | ||
| 1230 | E | 58.3 | Low | 66.5 | Low | 118 Ų | 118 | 74.1 Ų | 74.1 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | B | Isolated β-bridge | trans | -136.1 | 155.8 | 175.4 | 58.4 | 178.4 | -145.1 | 0 | 0 | 111.9 | C1237 K1238 I1240 | E1230-C1237 CarbonylContact O-C 3.43Å; E1230-C1237 VanDerWaalsContact O-CA 3.28Å; E1230-C1237 WeakPolarHBondContact O-CA 3.48Å; E1230-K1238 PolarHBondContact N-O 2.9Å; E1230-K1238 PolarHBondContact O-N 2.87Å; E1230-I1240 HydrophobicContact CB-CD1 3.82Å; E1230-I1240 HydrophobicContact CB-CG1 3.54Å; E1230-I1240 HydrophobicContact CG-CG1 3.69Å |
| 1231 | G | 74.2 | Confident | 65.6 | Low | 46 Ų | 46 | 73.1 Ų | 73.1 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 150.4 | -169.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | C1225 G1233 E1236 | C1225-G1231 PolarHBondContact SG-N 2.86Å; C1225-G1231 VanDerWaalsContact SG-N 3.38Å; G1231-G1233 VanDerWaalsContact C-N 3.28Å; G1231-E1236 CarbonylContact C-O 3.53Å; G1231-E1236 WeakPolarHBondContact CA-O 3.01Å |
| 1232 | D | 65.2 | Low | 64.6 | Low | 80 Ų | 80 | 77.7 Ų | 77.7 | 43% | 0.428 | 40% | 0.396 | S | S | . | . | trans | -75.2 | -20.3 | 177.9 | 78.8 | -14.8 | 0 | 0 | 0 | 112.8 | Y1234 W1235 E1236 | D1232-Y1234 VanDerWaalsContact C-N 3.26Å; D1232-Y1234 VanDerWaalsContact O-CD2 3.29Å; D1232-Y1234 WeakPolarHBondContact O-CD2 3Å; D1232-Y1234 PolarHBondContact O-N 3.16Å; D1232-Y1234 PolarHBondContact OD1-N 2.75Å; D1232-W1235 PolarHBondContact OD1-N 2.74Å; D1232-W1235 PolarHBondContact OD2-N 2.78Å; D1232-E1236 PolarHBondContact N-O 2.87Å; D1232-E1236 VanDerWaalsContact N-O 3.14Å; D1232-E1236 PolarHBondContact OD1-N 2.96Å | ||
| 1233 | G | 74.8 | Confident | 63 | Low | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 84.3 | -21.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C1212 H1213 C1223 G1231 E1236 | C1212-G1233 CarbonylContact C-O 3.45Å; C1212-G1233 VanDerWaalsContact CA-O 3.3Å; C1212-G1233 WeakPolarHBondContact CA-O 3.46Å; C1212-G1233 WeakPolarHBondContact CB-O 3.43Å; H1213-G1233 PolarHBondContact N-O 2.81Å; C1223-G1233 WeakPolarHBondContact CB-O 3.22Å; C1223-G1233 PolarHBondContact SG-O 2.96Å; G1231-G1233 VanDerWaalsContact C-N 3.28Å; G1233-E1236 PolarHBondContact N-O 3.2Å; G1233-E1236 VanDerWaalsContact N-O 3.08Å |
| 1234 | Y | 77 | Confident | 61.3 | Low | 89 Ų | 89 | 75.4 Ų | 75.4 | 35% | 0.349 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -96.5 | -44.4 | -175.3 | -67.2 | -94.8 | 0 | 0 | 0 | 111.5 | I1210 G1221 C1223 D1232 | I1210-Y1234 HydrophobicContact CG2-CD1 4.45Å; I1210-Y1234 HydrophobicContact CG2-CE1 3.69Å; G1221-Y1234 PolarHBondContact O-OH 3.4Å; C1223-Y1234 HydrophobicContact CB-CD2 4.26Å; C1223-Y1234 HydrophobicContact CB-CE2 4.15Å; D1232-Y1234 VanDerWaalsContact C-N 3.26Å; D1232-Y1234 VanDerWaalsContact O-CD2 3.29Å; D1232-Y1234 WeakPolarHBondContact O-CD2 3Å; D1232-Y1234 PolarHBondContact O-N 3.16Å; D1232-Y1234 PolarHBondContact OD1-N 2.75Å |
| 1235 | W | 75.5 | Confident | 60.4 | Low | 223 Ų | 223 | 72.3 Ų | 72.3 | 85% | 0.845 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -117.1 | -20.2 | -179.7 | -59 | 104.8 | 0 | 0 | 0 | 113 | H1213 D1232 | H1213-W1235 PolarHBondContact CD2-O 3.17Å; D1232-W1235 PolarHBondContact OD1-N 2.74Å; D1232-W1235 PolarHBondContact OD2-N 2.78Å |
| 1236 | E | 58.9 | Low | 59.2 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 39% | 0.393 | 41% | 0.409 | S | S | . | . | trans | -147.9 | 137.4 | -177.5 | -167.4 | 171.1 | -102.8 | 0 | 0 | 113.8 | G1231 D1232 G1233 K1238 | G1231-E1236 CarbonylContact C-O 3.53Å; G1231-E1236 WeakPolarHBondContact CA-O 3.01Å; D1232-E1236 PolarHBondContact N-O 2.87Å; D1232-E1236 VanDerWaalsContact N-O 3.14Å; D1232-E1236 PolarHBondContact OD1-N 2.96Å; G1233-E1236 PolarHBondContact N-O 3.2Å; G1233-E1236 VanDerWaalsContact N-O 3.08Å; E1236-K1238 HydrophobicContact CG-CD 4.26Å; E1236-K1238 HydrophobicContact CG-CG 4.21Å; E1236-K1238 WeakPolarHBondContact OE1-CE 3.18Å; E1236-K1238 IonicContact OE1-NZ 2.82Å; E1236-K1238 PolarHBondContact OE1-NZ 2.83Å; E1236-K1238 VanDerWaalsContact OE2-CE 3.27Å; E1236-K1238 WeakPolarHBondContact OE2-CE 3.47Å; E1236-K1238 IonicContact OE2-NZ 3.83Å; E1236-K1238 PolarHBondContact OE2-NZ 3.21Å | ||
| 1237 | C | 71 | Confident | 58.1 | Low | 3 Ų | 3 | 85.5 Ų | 85.5 | 2% | 0.02 | 44% | 0.436 | C | S | . | . | trans | -145.6 | 121.8 | 160.1 | -68 | 0 | 0 | 0 | 0 | 110.6 | H1213 F1215 A1216 C1225 Y1229 E1230 | H1213-C1237 PolarHBondContact CE1-N 2.86Å; H1213-C1237 VanDerWaalsContact CE1-N 3.31Å; H1213-C1237 PolarHBondContact CE1-O 2.96Å; H1213-C1237 VanDerWaalsContact CE1-O 3.3Å; H1213-C1237 WeakPolarHBondContact ND1-CB 3.27Å; H1213-C1237 PolarHBondContact ND1-N 3.23Å; F1215-C1237 HydrophobicContact CB-CB 3.87Å; A1216-C1237 VanDerWaalsContact CB-SG 3.52Å; C1225-C1237 WeakPolarHBondContact CA-SG 3.03Å; C1225-C1237 HydrophobicContact CB-CB 3.71Å; C1225-C1237 WeakPolarHBondContact CB-SG 3.41Å; C1225-C1237 WeakPolarHBondContact SG-CB 3.44Å; C1225-C1237 CovalentContact SG-SG 2.03Å; C1225-C1237 PolarHBondContact SG-SG 2.72Å; Y1229-C1237 HydrophobicContact CD1-CB 4.47Å; E1230-C1237 CarbonylContact O-C 3.43Å; E1230-C1237 VanDerWaalsContact O-CA 3.28Å; E1230-C1237 WeakPolarHBondContact O-CA 3.48Å | ||
| 1238 | K | 51.3 | Low | 57.5 | Low | 111 Ų | 111 | 81.8 Ų | 81.8 | 48% | 0.483 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -114.5 | 152.3 | 178.7 | -68.5 | 162 | 173.1 | 154.1 | 0 | 109.8 | Y1229 E1230 E1236 I1240 | Y1229-K1238 CarbonylContact C-O 3.56Å; Y1229-K1238 WeakPolarHBondContact CA-O 3.29Å; Y1229-K1238 VanDerWaalsContact CD1-C 3.47Å; E1230-K1238 PolarHBondContact N-O 2.9Å; E1230-K1238 PolarHBondContact O-N 2.87Å; E1236-K1238 HydrophobicContact CG-CD 4.26Å; E1236-K1238 HydrophobicContact CG-CG 4.21Å; E1236-K1238 WeakPolarHBondContact OE1-CE 3.18Å; E1236-K1238 IonicContact OE1-NZ 2.82Å; E1236-K1238 PolarHBondContact OE1-NZ 2.83Å; E1236-K1238 VanDerWaalsContact OE2-CE 3.27Å; E1236-K1238 WeakPolarHBondContact OE2-CE 3.47Å; E1236-K1238 IonicContact OE2-NZ 3.83Å; E1236-K1238 PolarHBondContact OE2-NZ 3.21Å; K1238-I1240 PolarHBondContact O-N 2.9Å |
| 1239 | S | 42.8 | Very low | 58.1 | Low | 13 Ų | 13 | 91.3 Ų | 91.3 | 9% | 0.091 | 43% | 0.432 | C | S | . | . | trans | -69.2 | 122 | -166.9 | 176.3 | 0 | 0 | 0 | 0 | 115.1 | G1228 K1241 S1242 D1243 L1244 | G1228-S1239 CarbonylContact O-C 3.42Å; G1228-S1239 VanDerWaalsContact O-C 3.31Å; G1228-S1239 WeakPolarHBondContact O-CA 3.48Å; G1228-S1239 WeakPolarHBondContact O-CB 3.38Å; G1228-S1239 PolarHBondContact O-OG 3.44Å; S1239-K1241 PolarHBondContact OG-N 2.86Å; S1239-K1241 VanDerWaalsContact OG-N 3.17Å; S1239-K1241 PolarHBondContact OG-O 3Å; S1239-K1241 VanDerWaalsContact OG-O 3.07Å; S1239-S1242 WeakPolarHBondContact CB-O 3Å; S1239-S1242 PolarHBondContact OG-O 2.03Å; S1239-D1243 PolarHBondContact OG-N 2.96Å; S1239-L1244 WeakPolarHBondContact O-CD1 3.47Å; S1239-L1244 WeakPolarHBondContact O-CD2 3.2Å | ||
| 1240 | I | 53.5 | Low | 58.5 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 37% | 0.369 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -65.6 | -37.4 | 165.8 | -77.9 | 170.8 | 0 | 0 | 0 | 111 | G1228 Y1229 E1230 K1238 | G1228-I1240 VanDerWaalsContact C-N 3.27Å; G1228-I1240 PolarHBondContact O-N 3.19Å; Y1229-I1240 VanDerWaalsContact C-CD1 3.48Å; Y1229-I1240 VanDerWaalsContact C-CG1 3.44Å; Y1229-I1240 WeakPolarHBondContact O-CD1 3.33Å; E1230-I1240 HydrophobicContact CB-CD1 3.82Å; E1230-I1240 HydrophobicContact CB-CG1 3.54Å; E1230-I1240 HydrophobicContact CG-CG1 3.69Å; K1238-I1240 PolarHBondContact O-N 2.9Å |
| 1241 | K | 40.8 | Very low | 59.5 | Low | 109 Ų | 109 | 86.7 Ų | 86.7 | 47% | 0.474 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -149.8 | 125.1 | 179.9 | -77.4 | -166 | -178.4 | -152.6 | 0 | 111.6 | G1228 S1239 | G1228-K1241 PolarHBondContact O-N 2.89Å; S1239-K1241 PolarHBondContact OG-N 2.86Å; S1239-K1241 VanDerWaalsContact OG-N 3.17Å; S1239-K1241 PolarHBondContact OG-O 3Å; S1239-K1241 VanDerWaalsContact OG-O 3.07Å |
| 1242 | S | 39.6 | Very low | 59.4 | Low | 105 Ų | 105 | 93 Ų | 93 | 73% | 0.734 | 43% | 0.433 | S | S | * | . | S | Bend | trans | 60.2 | 101.1 | -169.1 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | S1239 | S1239-S1242 WeakPolarHBondContact CB-O 3Å; S1239-S1242 PolarHBondContact OG-O 2.03Å |
| 1243 | D | 39.1 | Very low | 59.8 | Low | 100 Ų | 100 | 91.4 Ų | 91.4 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | cis | -143.2 | 74.6 | 18.9 | -171.9 | 17.3 | 0 | 0 | 0 | 109.5 | S1239 C1245 K1246 | S1239-D1243 PolarHBondContact OG-N 2.96Å; D1243-C1245 PolarHBondContact O-N 3.21Å; D1243-C1245 VanDerWaalsContact O-N 3.09Å; D1243-K1246 HydrophobicContact CB-CB 4.4Å; D1243-K1246 WeakPolarHBondContact O-CB 3.46Å; D1243-K1246 PolarHBondContact O-N 2.91Å | ||
| 1244 | L | 45 | Very low | 60.2 | Low | 43 Ų | 43 | 92 Ų | 92 | 23% | 0.225 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -65.9 | -18.2 | -162.5 | -170.6 | 49 | 0 | 0 | 0 | 113.9 | S1239 K1246 V1248 | S1239-L1244 WeakPolarHBondContact O-CD1 3.47Å; S1239-L1244 WeakPolarHBondContact O-CD2 3.2Å; L1244-K1246 VanDerWaalsContact C-N 3.29Å; L1244-K1246 PolarHBondContact O-N 3.13Å; L1244-V1248 VanDerWaalsContact O-CG2 3.27Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.45Å |
| 1245 | C | 54.7 | Low | 59.9 | Low | 54 Ų | 54 | 94.8 Ų | 94.8 | 37% | 0.365 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -76.8 | -10.9 | 173.5 | -49.4 | 0 | 0 | 0 | 0 | 113.9 | D1243 Y1247 C1256 | D1243-C1245 PolarHBondContact O-N 3.21Å; D1243-C1245 VanDerWaalsContact O-N 3.09Å; C1245-Y1247 PolarHBondContact O-N 3.04Å; C1245-C1256 WeakPolarHBondContact CA-SG 3.42Å; C1245-C1256 HydrophobicContact CB-CB 3.7Å; C1245-C1256 WeakPolarHBondContact CB-SG 3.43Å; C1245-C1256 WeakPolarHBondContact SG-CB 3.34Å; C1245-C1256 CovalentContact SG-SG 2.04Å; C1245-C1256 PolarHBondContact SG-SG 2.77Å |
| 1246 | K | 54.6 | Low | 60 | Low | 138 Ų | 138 | 85.2 Ų | 85.2 | 60% | 0.6 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -69.5 | -18.2 | -174.6 | -167.6 | 170.8 | -178.3 | 178.5 | 0 | 114.5 | D1243 L1244 | D1243-K1246 HydrophobicContact CB-CB 4.4Å; D1243-K1246 WeakPolarHBondContact O-CB 3.46Å; D1243-K1246 PolarHBondContact O-N 2.91Å; L1244-K1246 VanDerWaalsContact C-N 3.29Å; L1244-K1246 PolarHBondContact O-N 3.13Å |
| 1247 | Y | 56.1 | Low | 60.6 | Low | 207 Ų | 207 | 83.1 Ų | 83.1 | 81% | 0.812 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | -4.8 | 177.1 | -58.5 | -76 | 0 | 0 | 0 | 113.6 | C1245 | C1245-Y1247 PolarHBondContact O-N 3.04Š|
| 1248 | V | 56.7 | Low | 60 | Low | 38 Ų | 38 | 90 Ų | 90 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | trans | -93.4 | 108.6 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 108.9 | L1244 Y1273 | L1244-V1248 VanDerWaalsContact O-CG2 3.27Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.45Å; V1248-Y1273 HydrophobicContact CG1-CD2 4.39Å; V1248-Y1273 HydrophobicContact CG1-CE2 4.13Å | ||
| 1249 | R | 62 | Low | 60.7 | Low | 219 Ų | 219 | 92.8 Ų | 92.8 | 83% | 0.826 | 44% | 0.442 | S | S | * | . | trans | -76.3 | 123.9 | 164.2 | -81.5 | -174 | -76.9 | 177.6 | -3.2 | 108.5 | ||||
| 1250 | C | 78.3 | Confident | 61.6 | Low | 36 Ų | 36 | 92.8 Ų | 92.8 | 24% | 0.243 | 44% | 0.444 | C | S | . | . | trans | -104.5 | 157.2 | 168.2 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | A1254 C1262 G1272 | C1250-A1254 HydrophobicContact CB-CB 4.15Å; C1250-C1262 WeakPolarHBondContact CA-SG 3.48Å; C1250-C1262 HydrophobicContact CB-CB 3.62Å; C1250-C1262 WeakPolarHBondContact CB-SG 3.48Å; C1250-C1262 VanDerWaalsContact SG-CA 3.51Å; C1250-C1262 WeakPolarHBondContact SG-CB 3.26Å; C1250-C1262 CovalentContact SG-SG 2.03Å; C1250-C1262 PolarHBondContact SG-SG 2.85Å; C1250-G1272 WeakPolarHBondContact CB-O 3.02Å | ||
| 1251 | H | 79.4 | Confident | 62.3 | Low | 51 Ų | 51 | 96.8 Ų | 96.8 | 24% | 0.236 | 46% | 0.458 | C | S | . | . | trans | -58.7 | 150.2 | 168.5 | 178 | -88.1 | 0 | 0 | 0 | 110.9 | N1253 A1254 G1272 Y1273 Y1274 C1276 | H1251-N1253 VanDerWaalsContact C-N 3.32Å; H1251-N1253 PolarHBondContact ND1-N 3.35Å; H1251-N1253 PolarHBondContact O-N 3.46Å; H1251-A1254 HydrophobicContact CB-CB 4.39Å; H1251-A1254 WeakPolarHBondContact O-CA 3.5Å; H1251-A1254 VanDerWaalsContact O-CB 3.23Å; H1251-A1254 WeakPolarHBondContact O-CB 3.35Å; H1251-A1254 PolarHBondContact O-N 3.22Å; H1251-G1272 WeakPolarHBondContact CB-O 3.42Å; H1251-G1272 PolarHBondContact N-O 3.15Å; H1251-Y1273 PolarHBondContact N-O 2.68Å; H1251-Y1274 PolarHBondContact CD2-O 3.28Å; H1251-C1276 PolarHBondContact CE1-N 2.98Å; H1251-C1276 VanDerWaalsContact CE1-N 3.29Å; H1251-C1276 PolarHBondContact CE1-O 2.88Å; H1251-C1276 VanDerWaalsContact CE1-O 3.29Å; H1251-C1276 PolarHBondContact ND1-N 2.87Å; H1251-C1276 VanDerWaalsContact ND1-N 3.13Å | ||
| 1252 | E | 71.4 | Confident | 64.3 | Low | 178 Ų | 178 | 92.1 Ų | 92.1 | 83% | 0.832 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -41.6 | -170 | -58.8 | -179.6 | 179 | 0 | 0 | 113.4 | A1254 | E1252-A1254 PolarHBondContact O-N 3.36Š|
| 1253 | N | 73.4 | Confident | 66 | Low | 47 Ų | 47 | 92.9 Ų | 92.9 | 25% | 0.251 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 23.2 | 175 | -60.6 | -46.7 | 0 | 0 | 0 | 113.8 | H1251 C1264 L1265 Y1268 C1276 | H1251-N1253 VanDerWaalsContact C-N 3.32Å; H1251-N1253 PolarHBondContact ND1-N 3.35Å; H1251-N1253 PolarHBondContact O-N 3.46Å; N1253-C1264 WeakPolarHBondContact O-CA 3.15Å; N1253-L1265 PolarHBondContact O-N 2.94Å; N1253-Y1268 HydrophobicContact CB-CD1 3.53Å; N1253-Y1268 HydrophobicContact CB-CD2 3.98Å; N1253-Y1268 HydrophobicContact CB-CE1 3.85Å; N1253-Y1268 HydrophobicContact CB-CE2 4.22Å; N1253-Y1268 HydrophobicContact CB-CG 3.63Å; N1253-Y1268 WeakPolarHBondContact ND2-CE1 3.4Å; N1253-C1276 HydrophobicContact CB-CB 3.76Å; N1253-C1276 PolarHBondContact ND2-O 2.79Å |
| 1254 | A | 82.6 | Confident | 68 | Low | 13 Ų | 13 | 89.2 Ų | 89.2 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C1250 H1251 E1252 C1262 Q1263 G1272 C1276 | C1250-A1254 HydrophobicContact CB-CB 4.15Å; H1251-A1254 HydrophobicContact CB-CB 4.39Å; H1251-A1254 WeakPolarHBondContact O-CA 3.5Å; H1251-A1254 VanDerWaalsContact O-CB 3.23Å; H1251-A1254 WeakPolarHBondContact O-CB 3.35Å; H1251-A1254 PolarHBondContact O-N 3.22Å; E1252-A1254 PolarHBondContact O-N 3.36Å; A1254-C1262 HydrophobicContact CB-CB 4.38Å; A1254-Q1263 CarbonylContact C-O 3.53Å; A1254-Q1263 WeakPolarHBondContact CA-O 3.35Å; A1254-G1272 WeakPolarHBondContact CB-O 3.4Å; A1254-C1276 VanDerWaalsContact CB-SG 3.59Å |
| 1255 | K | 71.8 | Confident | 69.5 | Low | 147 Ų | 147 | 90.8 Ų | 90.8 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.3 | 173.4 | -171.4 | 170 | -176.7 | 178.3 | 0 | 110.3 | N1257 Q1263 L1265 | K1255-N1257 PolarHBondContact O-N 2.88Å; K1255-Q1263 PolarHBondContact N-O 2.82Å; K1255-Q1263 PolarHBondContact O-N 2.85Å; K1255-L1265 HydrophobicContact CB-CD2 3.86Å |
| 1256 | C | 77.8 | Confident | 70.1 | Confident | 21 Ų | 21 | 96.3 Ų | 96.3 | 14% | 0.142 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 117.7 | 161.3 | 173.4 | 0 | 0 | 0 | 0 | 109.2 | C1245 | C1245-C1256 WeakPolarHBondContact CA-SG 3.42Å; C1245-C1256 HydrophobicContact CB-CB 3.7Å; C1245-C1256 WeakPolarHBondContact CB-SG 3.43Å; C1245-C1256 WeakPolarHBondContact SG-CB 3.34Å; C1245-C1256 CovalentContact SG-SG 2.04Å; C1245-C1256 PolarHBondContact SG-SG 2.77Å |
| 1257 | N | 71.2 | Confident | 69.8 | Low | 40 Ų | 40 | 91.4 Ų | 91.4 | 21% | 0.214 | 44% | 0.437 | C | S | . | . | trans | -86 | 176.5 | 177.4 | 67 | 29.6 | 0 | 0 | 0 | 111.7 | K1255 Y1259 G1260 K1261 Q1263 | K1255-N1257 PolarHBondContact O-N 2.88Å; N1257-Y1259 PolarHBondContact O-N 2.97Å; N1257-Y1259 WeakPolarHBondContact OD1-CA 3.2Å; N1257-Y1259 WeakPolarHBondContact OD1-CB 3.2Å; N1257-Y1259 PolarHBondContact OD1-N 3.44Å; N1257-G1260 PolarHBondContact O-N 2.74Å; N1257-G1260 PolarHBondContact OD1-N 3.44Å; N1257-K1261 PolarHBondContact N-O 2.81Å; N1257-K1261 PolarHBondContact ND2-O 2.85Å; N1257-K1261 PolarHBondContact OD1-N 3.03Å; N1257-K1261 PolarHBondContact OD1-O 3.2Å; N1257-Q1263 PolarHBondContact ND2-OE1 2.81Å | ||
| 1258 | E | 58.1 | Low | 70.5 | Confident | 149 Ų | 149 | 85 Ų | 85 | 70% | 0.696 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -10.8 | -180 | -67.3 | -168.9 | 175.1 | 0 | 0 | 114.5 | ||
| 1259 | Y | 66 | Low | 70.6 | Confident | 169 Ų | 169 | 86.2 Ų | 86.2 | 66% | 0.663 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 13.8 | 176.9 | -47.8 | -82.8 | 0 | 0 | 0 | 112.2 | N1257 K1261 | N1257-Y1259 PolarHBondContact O-N 2.97Å; N1257-Y1259 WeakPolarHBondContact OD1-CA 3.2Å; N1257-Y1259 WeakPolarHBondContact OD1-CB 3.2Å; N1257-Y1259 PolarHBondContact OD1-N 3.44Å; Y1259-K1261 PolarHBondContact O-N 2.9Å |
| 1260 | G | 60.9 | Low | 71.1 | Confident | 12 Ų | 12 | 78.1 Ų | 78.1 | 12% | 0.124 | 41% | 0.407 | C | S | . | . | S | Bend | trans | 71.4 | -5.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N1257 C1262 | N1257-G1260 PolarHBondContact O-N 2.74Å; N1257-G1260 PolarHBondContact OD1-N 3.44Å; G1260-C1262 PolarHBondContact O-N 2.73Å |
| 1261 | K | 69.8 | Low | 70.7 | Confident | 156 Ų | 156 | 80.7 Ų | 80.7 | 68% | 0.678 | 42% | 0.418 | S | S | * | . | trans | -79.6 | 125.2 | -180 | -129.6 | -179.4 | -176.2 | -175.3 | 0 | 108.9 | N1257 Y1259 Q1263 | N1257-K1261 PolarHBondContact N-O 2.81Å; N1257-K1261 PolarHBondContact ND2-O 2.85Å; N1257-K1261 PolarHBondContact OD1-N 3.03Å; N1257-K1261 PolarHBondContact OD1-O 3.2Å; Y1259-K1261 PolarHBondContact O-N 2.9Å; K1261-Q1263 PolarHBondContact O-N 2.72Å | ||
| 1262 | C | 80.9 | Confident | 70.5 | Confident | 12 Ų | 12 | 78.3 Ų | 78.3 | 8% | 0.081 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 129 | 165.2 | -54 | 0 | 0 | 0 | 0 | 108.9 | C1250 A1254 G1260 G1272 | C1250-C1262 WeakPolarHBondContact CA-SG 3.48Å; C1250-C1262 HydrophobicContact CB-CB 3.62Å; C1250-C1262 WeakPolarHBondContact CB-SG 3.48Å; C1250-C1262 VanDerWaalsContact SG-CA 3.51Å; C1250-C1262 WeakPolarHBondContact SG-CB 3.26Å; C1250-C1262 CovalentContact SG-SG 2.03Å; C1250-C1262 PolarHBondContact SG-SG 2.85Å; A1254-C1262 HydrophobicContact CB-CB 4.38Å; G1260-C1262 PolarHBondContact O-N 2.73Å; C1262-G1272 WeakPolarHBondContact CB-O 3.46Å |
| 1263 | Q | 76.3 | Confident | 70.8 | Confident | 121 Ų | 121 | 75 Ų | 75 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.4 | 179.3 | -178.4 | 174.2 | -8.7 | 0 | 0 | 108.2 | A1254 K1255 N1257 K1261 L1265 | A1254-Q1263 CarbonylContact C-O 3.53Å; A1254-Q1263 WeakPolarHBondContact CA-O 3.35Å; K1255-Q1263 PolarHBondContact N-O 2.82Å; K1255-Q1263 PolarHBondContact O-N 2.85Å; N1257-Q1263 PolarHBondContact ND2-OE1 2.81Å; K1261-Q1263 PolarHBondContact O-N 2.72Å; Q1263-L1265 PolarHBondContact O-N 3.43Å |
| 1264 | C | 80.7 | Confident | 70.9 | Confident | 23 Ų | 23 | 81.6 Ų | 81.6 | 16% | 0.155 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 138.3 | -179.9 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | N1253 S1269 G1270 C1276 | N1253-C1264 WeakPolarHBondContact O-CA 3.15Å; C1264-S1269 VanDerWaalsContact SG-CA 3.53Å; C1264-G1270 PolarHBondContact SG-N 3.39Å; C1264-C1276 WeakPolarHBondContact CA-SG 3.33Å; C1264-C1276 HydrophobicContact CB-CB 3.84Å; C1264-C1276 WeakPolarHBondContact CB-SG 2.98Å; C1264-C1276 WeakPolarHBondContact SG-CB 3.49Å; C1264-C1276 CovalentContact SG-SG 2.03Å; C1264-C1276 PolarHBondContact SG-SG 3.44Å |
| 1265 | L | 77.2 | Confident | 70.1 | Confident | 75 Ų | 75 | 85.3 Ų | 85.3 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 153.7 | 172.8 | -65.7 | 172.2 | 0 | 0 | 0 | 109.9 | N1253 K1255 Q1263 G1267 Y1268 | N1253-L1265 PolarHBondContact O-N 2.94Å; K1255-L1265 HydrophobicContact CB-CD2 3.86Å; Q1263-L1265 PolarHBondContact O-N 3.43Å; L1265-G1267 PolarHBondContact O-N 2.96Å; L1265-Y1268 HydrophobicContact CB-CD2 4.14Å; L1265-Y1268 WeakPolarHBondContact O-CA 3.22Å; L1265-Y1268 WeakPolarHBondContact O-CB 3.42Å; L1265-Y1268 PolarHBondContact O-N 2.82Å |
| 1266 | D | 66.3 | Low | 70.1 | Confident | 170 Ų | 170 | 78.4 Ų | 78.4 | 91% | 0.909 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 127.9 | 179 | -70.9 | -48.5 | 0 | 0 | 0 | 110.9 | ||
| 1267 | G | 49.4 | Very low | 69.3 | Low | 36 Ų | 36 | 83.2 Ų | 83.2 | 37% | 0.371 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 10.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1265 K1278 S1279 | L1265-G1267 PolarHBondContact O-N 2.96Å; G1267-K1278 CarbonylContact O-C 3.34Å; G1267-K1278 WeakPolarHBondContact O-CA 3.04Å; G1267-K1278 WeakPolarHBondContact O-CG 3.37Å; G1267-S1279 WeakPolarHBondContact CA-OG 3.46Å; G1267-S1279 PolarHBondContact O-N 3.16Å; G1267-S1279 PolarHBondContact O-OG 2.85Å |
| 1268 | Y | 70.4 | Confident | 68.2 | Low | 72 Ų | 72 | 88.7 Ų | 88.7 | 28% | 0.282 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 164.8 | 166.8 | -63.7 | -92.6 | 0 | 0 | 0 | 112.9 | N1253 L1265 C1276 Q1277 K1278 S1279 | N1253-Y1268 HydrophobicContact CB-CD1 3.53Å; N1253-Y1268 HydrophobicContact CB-CD2 3.98Å; N1253-Y1268 HydrophobicContact CB-CE1 3.85Å; N1253-Y1268 HydrophobicContact CB-CE2 4.22Å; N1253-Y1268 HydrophobicContact CB-CG 3.63Å; N1253-Y1268 WeakPolarHBondContact ND2-CE1 3.4Å; L1265-Y1268 HydrophobicContact CB-CD2 4.14Å; L1265-Y1268 WeakPolarHBondContact O-CA 3.22Å; L1265-Y1268 WeakPolarHBondContact O-CB 3.42Å; L1265-Y1268 PolarHBondContact O-N 2.82Å; Y1268-C1276 WeakPolarHBondContact CD1-O 3.49Å; Y1268-Q1277 CarbonylContact C-O 3.37Å; Y1268-Q1277 WeakPolarHBondContact CA-O 3.34Å; Y1268-Q1277 WeakPolarHBondContact CB-O 3.41Å; Y1268-K1278 VanDerWaalsContact CD1-CA 3.48Å; Y1268-K1278 HydrophobicContact CD1-CB 4.05Å; Y1268-K1278 HydrophobicContact CD1-CG 4.36Å; Y1268-K1278 HydrophobicContact CE1-CB 3.87Å; Y1268-K1278 HydrophobicContact CE1-CG 4.03Å; Y1268-S1279 WeakPolarHBondContact CA-OG 3.4Å; Y1268-S1279 PolarHBondContact N-OG 2.83Å; Y1268-S1279 PolarHBondContact O-OG 3.08Å |
| 1269 | S | 58.6 | Low | 67.5 | Low | 63 Ų | 63 | 83.6 Ų | 83.6 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 143.4 | -179.8 | 51.6 | 0 | 0 | 0 | 0 | 111 | C1264 C1276 Q1277 S1279 | C1264-S1269 VanDerWaalsContact SG-CA 3.53Å; S1269-C1276 CarbonylContact O-C 3.51Å; S1269-C1276 WeakPolarHBondContact O-CA 3Å; S1269-Q1277 PolarHBondContact N-O 3.47Å; S1269-Q1277 PolarHBondContact O-N 3.21Å; S1269-S1279 WeakPolarHBondContact OG-CB 3.34Å |
| 1270 | G | 71.6 | Confident | 66.1 | Low | 50 Ų | 50 | 78.8 Ų | 78.8 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 153.7 | -169.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | C1264 G1272 E1275 | C1264-G1270 PolarHBondContact SG-N 3.39Å; G1270-G1272 VanDerWaalsContact C-N 3.33Å; G1270-E1275 CarbonylContact C-O 3.31Å; G1270-E1275 WeakPolarHBondContact CA-O 3.4Å |
| 1271 | D | 71.6 | Confident | 64.6 | Low | 90 Ų | 90 | 87.4 Ų | 87.4 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | trans | -79.3 | -16.4 | -179.3 | 82.4 | -20.9 | 0 | 0 | 0 | 113.5 | Y1273 Y1274 E1275 | D1271-Y1273 PolarHBondContact O-N 3.38Å; D1271-Y1273 PolarHBondContact OD1-N 3.27Å; D1271-Y1274 PolarHBondContact OD1-N 2.89Å; D1271-Y1274 PolarHBondContact OD2-N 3.01Å; D1271-E1275 PolarHBondContact N-O 3.02Å; D1271-E1275 PolarHBondContact OD1-N 3.12Å | ||
| 1272 | G | 75 | Confident | 62.8 | Low | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 82.8 | -25.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | C1250 H1251 A1254 C1262 G1270 E1275 C1276 | C1250-G1272 WeakPolarHBondContact CB-O 3.02Å; H1251-G1272 WeakPolarHBondContact CB-O 3.42Å; H1251-G1272 PolarHBondContact N-O 3.15Å; A1254-G1272 WeakPolarHBondContact CB-O 3.4Å; C1262-G1272 WeakPolarHBondContact CB-O 3.46Å; G1270-G1272 VanDerWaalsContact C-N 3.33Å; G1272-E1275 PolarHBondContact N-O 3.21Å; G1272-C1276 WeakPolarHBondContact CA-SG 3.39Å |
| 1273 | Y | 77 | Confident | 60.5 | Low | 108 Ų | 108 | 91.2 Ų | 91.2 | 42% | 0.424 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -95.2 | -48.6 | -171.1 | -165.6 | -81.5 | 0 | 0 | 0 | 111.2 | V1248 H1251 D1271 | V1248-Y1273 HydrophobicContact CG1-CD2 4.39Å; V1248-Y1273 HydrophobicContact CG1-CE2 4.13Å; H1251-Y1273 PolarHBondContact N-O 2.68Å; D1271-Y1273 PolarHBondContact O-N 3.38Å; D1271-Y1273 PolarHBondContact OD1-N 3.27Å |
| 1274 | Y | 75.4 | Confident | 59 | Low | 187 Ų | 187 | 87.6 Ų | 87.6 | 73% | 0.733 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -105.4 | -26.2 | 174.8 | -65.7 | -72.1 | 0 | 0 | 0 | 113 | H1251 D1271 | H1251-Y1274 PolarHBondContact CD2-O 3.28Å; D1271-Y1274 PolarHBondContact OD1-N 2.89Å; D1271-Y1274 PolarHBondContact OD2-N 3.01Å |
| 1275 | E | 65.7 | Low | 57.2 | Low | 91 Ų | 91 | 90.3 Ų | 90.3 | 43% | 0.425 | 48% | 0.48 | S | S | . | . | trans | -149.4 | 139.7 | -173.4 | -174.8 | 165.6 | -127.1 | 0 | 0 | 114.2 | G1270 D1271 G1272 Q1277 | G1270-E1275 CarbonylContact C-O 3.31Å; G1270-E1275 WeakPolarHBondContact CA-O 3.4Å; D1271-E1275 PolarHBondContact N-O 3.02Å; D1271-E1275 PolarHBondContact OD1-N 3.12Å; G1272-E1275 PolarHBondContact N-O 3.21Å; E1275-Q1277 HydrophobicContact CG-CG 3.9Å; E1275-Q1277 WeakPolarHBondContact OE1-CG 3.03Å; E1275-Q1277 PolarHBondContact OE1-NE2 3.37Å | ||
| 1276 | C | 71.7 | Confident | 56 | Low | 2 Ų | 2 | 90.8 Ų | 90.8 | 1% | 0.014 | 50% | 0.503 | C | S | . | . | trans | -146.5 | 101.8 | 159.4 | -76.6 | 0 | 0 | 0 | 0 | 109.7 | H1251 N1253 A1254 C1264 Y1268 S1269 G1272 | H1251-C1276 PolarHBondContact CE1-N 2.98Å; H1251-C1276 VanDerWaalsContact CE1-N 3.29Å; H1251-C1276 PolarHBondContact CE1-O 2.88Å; H1251-C1276 VanDerWaalsContact CE1-O 3.29Å; H1251-C1276 PolarHBondContact ND1-N 2.87Å; H1251-C1276 VanDerWaalsContact ND1-N 3.13Å; N1253-C1276 HydrophobicContact CB-CB 3.76Å; N1253-C1276 PolarHBondContact ND2-O 2.79Å; A1254-C1276 VanDerWaalsContact CB-SG 3.59Å; C1264-C1276 WeakPolarHBondContact CA-SG 3.33Å; C1264-C1276 HydrophobicContact CB-CB 3.84Å; C1264-C1276 WeakPolarHBondContact CB-SG 2.98Å; C1264-C1276 WeakPolarHBondContact SG-CB 3.49Å; C1264-C1276 CovalentContact SG-SG 2.03Å; C1264-C1276 PolarHBondContact SG-SG 3.44Å; Y1268-C1276 WeakPolarHBondContact CD1-O 3.49Å; S1269-C1276 CarbonylContact O-C 3.51Å; S1269-C1276 WeakPolarHBondContact O-CA 3Å; G1272-C1276 WeakPolarHBondContact CA-SG 3.39Å | ||
| 1277 | Q | 62.2 | Low | 55.7 | Low | 122 Ų | 122 | 85 Ų | 85 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 160.1 | 173.3 | -59.2 | -170.1 | 6.2 | 0 | 0 | 111.1 | Y1268 S1269 E1275 S1279 | Y1268-Q1277 CarbonylContact C-O 3.37Å; Y1268-Q1277 WeakPolarHBondContact CA-O 3.34Å; Y1268-Q1277 WeakPolarHBondContact CB-O 3.41Å; S1269-Q1277 PolarHBondContact N-O 3.47Å; S1269-Q1277 PolarHBondContact O-N 3.21Å; E1275-Q1277 HydrophobicContact CG-CG 3.9Å; E1275-Q1277 WeakPolarHBondContact OE1-CG 3.03Å; E1275-Q1277 PolarHBondContact OE1-NE2 3.37Å; Q1277-S1279 PolarHBondContact O-N 2.96Å |
| 1278 | K | 46.4 | Very low | 56.2 | Low | 155 Ų | 155 | 91.8 Ų | 91.8 | 67% | 0.674 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 117.8 | -171.4 | -159.2 | 178.1 | -173.1 | 175.8 | 0 | 111.7 | G1267 Y1268 S1280 | G1267-K1278 CarbonylContact O-C 3.34Å; G1267-K1278 WeakPolarHBondContact O-CA 3.04Å; G1267-K1278 WeakPolarHBondContact O-CG 3.37Å; Y1268-K1278 VanDerWaalsContact CD1-CA 3.48Å; Y1268-K1278 HydrophobicContact CD1-CB 4.05Å; Y1268-K1278 HydrophobicContact CD1-CG 4.36Å; Y1268-K1278 HydrophobicContact CE1-CB 3.87Å; Y1268-K1278 HydrophobicContact CE1-CG 4.03Å; K1278-S1280 VanDerWaalsContact C-N 3.32Å; K1278-S1280 PolarHBondContact O-N 2.83Å |
| 1279 | S | 44.7 | Very low | 56.4 | Low | 42 Ų | 42 | 90 Ų | 90 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | trans | -79.6 | 79.4 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | G1267 Y1268 S1269 Q1277 Q1281 | G1267-S1279 WeakPolarHBondContact CA-OG 3.46Å; G1267-S1279 PolarHBondContact O-N 3.16Å; G1267-S1279 PolarHBondContact O-OG 2.85Å; Y1268-S1279 WeakPolarHBondContact CA-OG 3.4Å; Y1268-S1279 PolarHBondContact N-OG 2.83Å; Y1268-S1279 PolarHBondContact O-OG 3.08Å; S1269-S1279 WeakPolarHBondContact OG-CB 3.34Å; Q1277-S1279 PolarHBondContact O-N 2.96Å; S1279-Q1281 PolarHBondContact O-N 2.94Å | ||
| 1280 | S | 36.7 | Very low | 57.4 | Low | 68 Ų | 68 | 89 Ų | 89 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | trans | -59.4 | 124.7 | 163.5 | 46.4 | 0 | 0 | 0 | 0 | 109.3 | K1278 E1282 | K1278-S1280 VanDerWaalsContact C-N 3.32Å; K1278-S1280 PolarHBondContact O-N 2.83Å; S1280-E1282 PolarHBondContact O-N 3.41Å | ||
| 1281 | Q | 28.1 | Very low | 57 | Low | 192 Ų | 192 | 96.4 Ų | 96.4 | 90% | 0.897 | 49% | 0.494 | S | S | * | . | trans | -77.8 | 55 | 170.6 | -68.9 | -173.1 | -30.5 | 0 | 0 | 110.4 | S1279 | S1279-Q1281 PolarHBondContact O-N 2.94Š| ||
| 1282 | E | 31.9 | Very low | 56.9 | Low | 145 Ų | 145 | 95.6 Ų | 95.6 | 68% | 0.678 | 49% | 0.486 | S | S | * | . | trans | -115.2 | 127.5 | 178 | -72.6 | -179.2 | 121.7 | 0 | 0 | 109.8 | S1280 C1284 | S1280-E1282 PolarHBondContact O-N 3.41Å; E1282-C1284 PolarHBondContact O-N 2.88Å | ||
| 1283 | L | 33.8 | Very low | 56.9 | Low | 103 Ų | 103 | 96.3 Ų | 96.3 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 53.2 | -162.3 | -72.1 | 75.3 | 0 | 0 | 0 | 112.4 | N1298 | L1283-N1298 WeakPolarHBondContact O-CA 3.36Å; L1283-N1298 VanDerWaalsContact O-CG 3.24Å; L1283-N1298 PolarHBondContact O-N 2.87Å; L1283-N1298 PolarHBondContact O-OD1 2.69Å |
| 1284 | C | 44.8 | Very low | 56.5 | Low | 46 Ų | 46 | 97.4 Ų | 97.4 | 31% | 0.311 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149 | -1.6 | 174 | -73.3 | 0 | 0 | 0 | 0 | 114.3 | E1282 G1286 V1287 C1295 N1298 | E1282-C1284 PolarHBondContact O-N 2.88Å; C1284-G1286 PolarHBondContact O-N 2.76Å; C1284-V1287 PolarHBondContact O-N 2.83Å; C1284-C1295 WeakPolarHBondContact CA-SG 3.29Å; C1284-C1295 HydrophobicContact CB-CB 3.81Å; C1284-C1295 WeakPolarHBondContact CB-SG 3.26Å; C1284-C1295 VanDerWaalsContact SG-C 3.53Å; C1284-C1295 WeakPolarHBondContact SG-CB 3.47Å; C1284-C1295 CovalentContact SG-SG 2.03Å; C1284-C1295 PolarHBondContact SG-SG 3.32Å; C1284-N1298 PolarHBondContact N-OD1 2.91Å |
| 1285 | A | 42.8 | Very low | 56.5 | Low | 80 Ų | 80 | 90.1 Ų | 90.1 | 66% | 0.661 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 120.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1287 | A1285-V1287 VanDerWaalsContact C-N 3.33Š|
| 1286 | G | 52.7 | Low | 56.3 | Low | 84 Ų | 84 | 93.6 Ų | 93.6 | 87% | 0.866 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -3.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1284 Q1288 | C1284-G1286 PolarHBondContact O-N 2.76Å; G1286-Q1288 PolarHBondContact O-N 3.1Å |
| 1287 | V | 58.9 | Low | 55.6 | Low | 49 Ų | 49 | 100 Ų | 100 | 30% | 0.297 | 52% | 0.519 | S | S | . | . | trans | -84.9 | 93 | 177.6 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | C1284 A1285 C1289 N1298 | C1284-V1287 PolarHBondContact O-N 2.83Å; A1285-V1287 VanDerWaalsContact C-N 3.33Å; V1287-C1289 PolarHBondContact O-N 2.04Å; V1287-N1298 HydrophobicContact CG2-CB 4.36Å | ||
| 1288 | Q | 60.9 | Low | 55.5 | Low | 178 Ų | 178 | 98.4 Ų | 98.4 | 83% | 0.832 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 117 | 170.3 | -68.2 | -158.5 | 4.2 | 0 | 0 | 110.4 | G1286 | G1286-Q1288 PolarHBondContact O-N 3.1Š|
| 1289 | C | 74.3 | Confident | 56.5 | Low | 34 Ų | 34 | 98.5 Ų | 98.5 | 23% | 0.23 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 158.7 | 168.1 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | V1287 C1300 G1310 | V1287-C1289 PolarHBondContact O-N 2.04Å; C1289-C1300 WeakPolarHBondContact CA-SG 3.29Å; C1289-C1300 HydrophobicContact CB-CB 3.73Å; C1289-C1300 WeakPolarHBondContact CB-SG 3.24Å; C1289-C1300 WeakPolarHBondContact SG-CB 3.31Å; C1289-C1300 CovalentContact SG-SG 2.03Å; C1289-C1300 PolarHBondContact SG-SG 3.42Å; C1289-G1310 WeakPolarHBondContact CA-O 3.15Å; C1289-G1310 WeakPolarHBondContact CB-O 3.33Å |
| 1290 | H | 79.1 | Confident | 58.2 | Low | 44 Ų | 44 | 96.8 Ų | 96.8 | 20% | 0.204 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 155.1 | 169.6 | 179.2 | -111.5 | 0 | 0 | 0 | 111 | F1292 G1293 G1310 V1311 N1312 C1314 | H1290-F1292 AromaticContact CE1-CD2 3.75Å; H1290-F1292 PolarHBondContact ND1-N 2.04Å; H1290-F1292 PolarHBondContact O-N 2.86Å; H1290-G1293 WeakPolarHBondContact O-CA 3.06Å; H1290-G1293 PolarHBondContact O-N 3.45Å; H1290-G1310 PolarHBondContact N-O 2.98Å; H1290-V1311 PolarHBondContact N-O 3.02Å; H1290-N1312 PolarHBondContact CD2-O 3.2Å; H1290-N1312 VanDerWaalsContact CD2-O 3.29Å; H1290-C1314 PolarHBondContact CE1-N 2.73Å; H1290-C1314 VanDerWaalsContact CE1-N 3.26Å; H1290-C1314 WeakPolarHBondContact ND1-CB 3.41Å; H1290-C1314 PolarHBondContact ND1-N 2.97Å; H1290-C1314 VanDerWaalsContact ND1-N 3.12Å |
| 1291 | R | 62.9 | Low | 60.1 | Low | 205 Ų | 205 | 98.8 Ų | 98.8 | 77% | 0.774 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -14.3 | -175.6 | 71 | -174.7 | -62.7 | 158.7 | 4.4 | 116.1 | ||
| 1292 | F | 69 | Low | 62.3 | Low | 72 Ų | 72 | 91.1 Ų | 91.1 | 32% | 0.316 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 30 | 171.7 | -46.9 | -59.6 | 0 | 0 | 0 | 112.2 | H1290 C1302 S1303 Y1306 C1314 | H1290-F1292 AromaticContact CE1-CD2 3.75Å; H1290-F1292 PolarHBondContact ND1-N 2.04Å; H1290-F1292 PolarHBondContact O-N 2.86Å; F1292-C1302 WeakPolarHBondContact O-CA 3.01Å; F1292-S1303 WeakPolarHBondContact O-CB 3.41Å; F1292-S1303 PolarHBondContact O-N 2.87Å; F1292-S1303 PolarHBondContact O-OG 2.04Å; F1292-Y1306 HydrophobicContact CB-CD1 3.85Å; F1292-Y1306 HydrophobicContact CB-CD2 4.09Å; F1292-Y1306 HydrophobicContact CB-CE1 3.97Å; F1292-Y1306 HydrophobicContact CB-CE2 4.22Å; F1292-Y1306 HydrophobicContact CB-CG 3.93Å; F1292-Y1306 HydrophobicContact CD1-CE1 4.15Å; F1292-Y1306 HydrophobicContact CD1-CE2 4.34Å; F1292-Y1306 AromaticContact CD1-CZ 3.87Å; F1292-Y1306 AromaticContact CD2-CD1 3.81Å; F1292-Y1306 HydrophobicContact CD2-CD1 3.81Å; F1292-Y1306 AromaticContact CD2-CE1 3.37Å; F1292-Y1306 HydrophobicContact CD2-CE1 3.37Å; F1292-Y1306 AromaticContact CD2-CZ 3.97Å; F1292-Y1306 AromaticContact CE2-CE1 3.81Å; F1292-Y1306 HydrophobicContact CE2-CE1 3.81Å; F1292-Y1306 AromaticContact CG-CD1 3.96Å; F1292-Y1306 HydrophobicContact CG-CD1 3.96Å; F1292-Y1306 AromaticContact CG-CE1 3.58Å; F1292-Y1306 HydrophobicContact CG-CE1 3.58Å; F1292-Y1306 HydrophobicContact CG-CE2 4.24Å; F1292-Y1306 HydrophobicContact CG-CG 4.45Å; F1292-Y1306 AromaticContact CG-CZ 3.75Å; F1292-Y1306 HydrophobicContact CZ-CE1 4.35Å; F1292-C1314 HydrophobicContact CB-CB 3.95Å; F1292-C1314 PolarHBondContact O-SG 2.71Å; F1292-C1314 VanDerWaalsContact O-SG 3.4Å |
| 1293 | G | 75.9 | Confident | 64 | Low | 15 Ų | 15 | 85.4 Ų | 85.4 | 16% | 0.155 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | H1290 Y1301 | H1290-G1293 WeakPolarHBondContact O-CA 3.06Å; H1290-G1293 PolarHBondContact O-N 3.45Å; G1293-Y1301 CarbonylContact C-O 3.41Å; G1293-Y1301 VanDerWaalsContact CA-O 3.3Å; G1293-Y1301 WeakPolarHBondContact CA-O 3.16Å |
| 1294 | Q | 68.8 | Low | 65.1 | Low | 132 Ų | 132 | 88.2 Ų | 88.2 | 62% | 0.617 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.3 | 177.1 | -69.8 | 176 | -19.2 | 0 | 0 | 109.2 | C1300 Y1301 | Q1294-C1300 WeakPolarHBondContact O-CA 3.48Å; Q1294-Y1301 PolarHBondContact N-O 3.34Å; Q1294-Y1301 PolarHBondContact O-N 3.1Å |
| 1295 | C | 74.7 | Confident | 65.6 | Low | 34 Ų | 34 | 86.7 Ų | 86.7 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.1 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | C1284 | C1284-C1295 WeakPolarHBondContact CA-SG 3.29Å; C1284-C1295 HydrophobicContact CB-CB 3.81Å; C1284-C1295 WeakPolarHBondContact CB-SG 3.26Å; C1284-C1295 VanDerWaalsContact SG-C 3.53Å; C1284-C1295 WeakPolarHBondContact SG-CB 3.47Å; C1284-C1295 CovalentContact SG-SG 2.03Å; C1284-C1295 PolarHBondContact SG-SG 3.32Å |
| 1296 | Y | 60.9 | Low | 66.7 | Low | 163 Ų | 163 | 85.5 Ų | 85.5 | 64% | 0.639 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 121.8 | 170.4 | -160.8 | -88.5 | 0 | 0 | 0 | 108.7 | N1298 R1299 | Y1296-N1298 PolarHBondContact O-N 2.98Å; Y1296-R1299 PolarHBondContact N-O 2.98Å; Y1296-R1299 PolarHBondContact O-N 2.7Å; Y1296-R1299 VanDerWaalsContact O-N 3.12Å |
| 1297 | E | 58.7 | Low | 67.1 | Low | 138 Ų | 138 | 84.4 Ų | 84.4 | 65% | 0.645 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 52.3 | -175.9 | -59.9 | -174 | 141.4 | 0 | 0 | 114.1 | R1299 | E1297-R1299 PolarHBondContact O-N 3.37Å; E1297-R1299 VanDerWaalsContact O-N 3.12Å |
| 1298 | N | 59.3 | Low | 67.9 | Low | 87 Ų | 87 | 84 Ų | 84 | 47% | 0.465 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 20.5 | -176.8 | -69.9 | -54.4 | 0 | 0 | 0 | 114.8 | L1283 C1284 V1287 Y1296 | L1283-N1298 WeakPolarHBondContact O-CA 3.36Å; L1283-N1298 VanDerWaalsContact O-CG 3.24Å; L1283-N1298 PolarHBondContact O-N 2.87Å; L1283-N1298 PolarHBondContact O-OD1 2.69Å; C1284-N1298 PolarHBondContact N-OD1 2.91Å; V1287-N1298 HydrophobicContact CG2-CB 4.36Å; Y1296-N1298 PolarHBondContact O-N 2.98Å |
| 1299 | R | 66.7 | Low | 68.2 | Low | 158 Ų | 158 | 78.6 Ų | 78.6 | 60% | 0.596 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.9 | 173.5 | -170 | 174.2 | -62.8 | 119.4 | 3.9 | 110.2 | Y1296 E1297 Y1301 | Y1296-R1299 PolarHBondContact N-O 2.98Å; Y1296-R1299 PolarHBondContact O-N 2.7Å; Y1296-R1299 VanDerWaalsContact O-N 3.12Å; E1297-R1299 PolarHBondContact O-N 3.37Å; E1297-R1299 VanDerWaalsContact O-N 3.12Å; R1299-Y1301 HydrophobicContact CB-CE2 3.98Å; R1299-Y1301 HydrophobicContact CG-CE2 4.23Å; R1299-Y1301 VanDerWaalsContact O-CD2 3.32Å; R1299-Y1301 WeakPolarHBondContact O-CD2 3.08Å; R1299-Y1301 VanDerWaalsContact O-CE2 3.28Å; R1299-Y1301 WeakPolarHBondContact O-CE2 3.35Å |
| 1300 | C | 81.5 | Confident | 68 | Low | 6 Ų | 6 | 77 Ų | 77 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 144 | 176.3 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | C1289 Q1294 G1310 V1311 | C1289-C1300 WeakPolarHBondContact CA-SG 3.29Å; C1289-C1300 HydrophobicContact CB-CB 3.73Å; C1289-C1300 WeakPolarHBondContact CB-SG 3.24Å; C1289-C1300 WeakPolarHBondContact SG-CB 3.31Å; C1289-C1300 CovalentContact SG-SG 2.03Å; C1289-C1300 PolarHBondContact SG-SG 3.42Å; Q1294-C1300 WeakPolarHBondContact O-CA 3.48Å; C1300-G1310 WeakPolarHBondContact CB-O 3.32Å; C1300-V1311 HydrophobicContact CB-CG2 3.81Å |
| 1301 | Y | 75.9 | Confident | 67.8 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 43% | 0.431 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.1 | 172.3 | -57.6 | -91.2 | 0 | 0 | 0 | 108.3 | G1293 Q1294 R1299 S1303 | G1293-Y1301 CarbonylContact C-O 3.41Å; G1293-Y1301 VanDerWaalsContact CA-O 3.3Å; G1293-Y1301 WeakPolarHBondContact CA-O 3.16Å; Q1294-Y1301 PolarHBondContact N-O 3.34Å; Q1294-Y1301 PolarHBondContact O-N 3.1Å; R1299-Y1301 HydrophobicContact CB-CE2 3.98Å; R1299-Y1301 HydrophobicContact CG-CE2 4.23Å; R1299-Y1301 VanDerWaalsContact O-CD2 3.32Å; R1299-Y1301 WeakPolarHBondContact O-CD2 3.08Å; R1299-Y1301 VanDerWaalsContact O-CE2 3.28Å; R1299-Y1301 WeakPolarHBondContact O-CE2 3.35Å; Y1301-S1303 PolarHBondContact O-N 2.65Å |
| 1302 | C | 74.4 | Confident | 68.2 | Low | 30 Ų | 30 | 74.5 Ų | 74.5 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 135.4 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | F1292 G1308 G1310 C1314 | F1292-C1302 WeakPolarHBondContact O-CA 3.01Å; C1302-G1308 WeakPolarHBondContact SG-CA 3.34Å; C1302-G1308 PolarHBondContact SG-N 2.99Å; C1302-G1310 PolarHBondContact SG-N 3.16Å; C1302-C1314 WeakPolarHBondContact CA-SG 3.31Å; C1302-C1314 HydrophobicContact CB-CB 3.74Å; C1302-C1314 WeakPolarHBondContact CB-SG 3.35Å; C1302-C1314 VanDerWaalsContact SG-CA 3.54Å; C1302-C1314 WeakPolarHBondContact SG-CB 3.35Å; C1302-C1314 CovalentContact SG-SG 2.04Å; C1302-C1314 PolarHBondContact SG-SG 2.04Å |
| 1303 | S | 67.6 | Low | 68 | Low | 25 Ų | 25 | 75.6 Ų | 75.6 | 18% | 0.175 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 158.4 | 176.8 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | F1292 Y1301 G1305 Y1306 | F1292-S1303 WeakPolarHBondContact O-CB 3.41Å; F1292-S1303 PolarHBondContact O-N 2.87Å; F1292-S1303 PolarHBondContact O-OG 2.04Å; Y1301-S1303 PolarHBondContact O-N 2.65Å; S1303-G1305 PolarHBondContact O-N 2.85Å; S1303-Y1306 WeakPolarHBondContact O-CB 3.01Å; S1303-Y1306 PolarHBondContact O-N 3.3Å |
| 1304 | H | 57 | Low | 67.8 | Low | 163 Ų | 163 | 75 Ų | 75 | 76% | 0.755 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 139.9 | 176.1 | -162.7 | -77.1 | 0 | 0 | 0 | 111 | Y1306 D1320 | H1304-Y1306 VanDerWaalsContact C-N 3.34Å; H1304-D1320 IonicContact CE1-OD2 3.83Å; H1304-D1320 PolarHBondContact CE1-OD2 2.85Å; H1304-D1320 IonicContact ND1-OD2 2.76Å |
| 1305 | G | 55.4 | Low | 67.5 | Low | 13 Ų | 13 | 73.1 Ų | 73.1 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -7.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1303 A1316 R1317 | S1303-G1305 PolarHBondContact O-N 2.85Å; G1305-A1316 CarbonylContact O-C 3.46Å; G1305-A1316 WeakPolarHBondContact O-CA 2.98Å; G1305-R1317 PolarHBondContact O-N 3.34Å |
| 1306 | Y | 65.8 | Low | 66.4 | Low | 56 Ų | 56 | 74 Ų | 74 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 161.4 | -177.8 | -62.6 | -100.1 | 0 | 0 | 0 | 114.4 | F1292 S1303 H1304 C1314 D1315 A1316 R1317 | F1292-Y1306 HydrophobicContact CB-CD1 3.85Å; F1292-Y1306 HydrophobicContact CB-CD2 4.09Å; F1292-Y1306 HydrophobicContact CB-CE1 3.97Å; F1292-Y1306 HydrophobicContact CB-CE2 4.22Å; F1292-Y1306 HydrophobicContact CB-CG 3.93Å; F1292-Y1306 HydrophobicContact CD1-CE1 4.15Å; F1292-Y1306 HydrophobicContact CD1-CE2 4.34Å; F1292-Y1306 AromaticContact CD1-CZ 3.87Å; F1292-Y1306 AromaticContact CD2-CD1 3.81Å; F1292-Y1306 HydrophobicContact CD2-CD1 3.81Å; F1292-Y1306 AromaticContact CD2-CE1 3.37Å; F1292-Y1306 HydrophobicContact CD2-CE1 3.37Å; F1292-Y1306 AromaticContact CD2-CZ 3.97Å; F1292-Y1306 AromaticContact CE2-CE1 3.81Å; F1292-Y1306 HydrophobicContact CE2-CE1 3.81Å; F1292-Y1306 AromaticContact CG-CD1 3.96Å; F1292-Y1306 HydrophobicContact CG-CD1 3.96Å; F1292-Y1306 AromaticContact CG-CE1 3.58Å; F1292-Y1306 HydrophobicContact CG-CE1 3.58Å; F1292-Y1306 HydrophobicContact CG-CE2 4.24Å; F1292-Y1306 HydrophobicContact CG-CG 4.45Å; F1292-Y1306 AromaticContact CG-CZ 3.75Å; F1292-Y1306 HydrophobicContact CZ-CE1 4.35Å; S1303-Y1306 WeakPolarHBondContact O-CB 3.01Å; S1303-Y1306 PolarHBondContact O-N 3.3Å; H1304-Y1306 VanDerWaalsContact C-N 3.34Å; Y1306-C1314 HydrophobicContact CD1-CB 4.42Å; Y1306-C1314 WeakPolarHBondContact CD1-O 3.18Å; Y1306-D1315 CarbonylContact C-O 3.59Å; Y1306-D1315 WeakPolarHBondContact CA-O 3.39Å; Y1306-A1316 HydrophobicContact CD1-CB 4.41Å; Y1306-A1316 HydrophobicContact CE1-CB 4.26Å; Y1306-R1317 PolarHBondContact O-NH1 3.29Å |
| 1307 | V | 60.7 | Low | 66 | Low | 61 Ų | 61 | 72.6 Ų | 72.6 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 137.1 | 176.7 | -81.4 | 0 | 0 | 0 | 0 | 111.4 | C1314 D1315 R1317 | V1307-C1314 CarbonylContact O-C 3.43Å; V1307-C1314 WeakPolarHBondContact O-CA 3.48Å; V1307-D1315 WeakPolarHBondContact CG2-O 3.4Å; V1307-D1315 PolarHBondContact N-O 3.34Å; V1307-D1315 PolarHBondContact O-N 2.03Å; V1307-R1317 HydrophobicContact CG1-CG 3.91Å; V1307-R1317 HydrophobicContact CG2-CG 4.25Å |
| 1308 | G | 76 | Confident | 65.4 | Low | 39 Ų | 39 | 69.9 Ų | 69.9 | 40% | 0.402 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | -166 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | C1302 F1313 | C1302-G1308 WeakPolarHBondContact SG-CA 3.34Å; C1302-G1308 PolarHBondContact SG-N 2.99Å; G1308-F1313 WeakPolarHBondContact CA-O 3.33Å |
| 1309 | D | 67.9 | Low | 65 | Low | 66 Ų | 66 | 73.3 Ų | 73.3 | 35% | 0.353 | 39% | 0.389 | S | S | . | . | trans | -88 | -8.2 | 179.9 | 68.4 | 8.4 | 0 | 0 | 0 | 114 | V1311 N1312 F1313 | D1309-V1311 PolarHBondContact O-N 2.82Å; D1309-V1311 PolarHBondContact OD1-N 3.19Å; D1309-N1312 PolarHBondContact OD1-N 2.75Å; D1309-N1312 PolarHBondContact OD2-ND2 3.05Å; D1309-F1313 HydrophobicContact CB-CE1 4.21Å; D1309-F1313 PolarHBondContact N-O 3.18Å; D1309-F1313 PolarHBondContact OD1-N 2.9Å; D1309-F1313 VanDerWaalsContact OD1-N 3.1Å | ||
| 1310 | G | 70.5 | Confident | 64.2 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 80.7 | -14.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C1289 H1290 C1300 C1302 F1313 | C1289-G1310 WeakPolarHBondContact CA-O 3.15Å; C1289-G1310 WeakPolarHBondContact CB-O 3.33Å; H1290-G1310 PolarHBondContact N-O 2.98Å; C1300-G1310 WeakPolarHBondContact CB-O 3.32Å; C1302-G1310 PolarHBondContact SG-N 3.16Å; G1310-F1313 PolarHBondContact N-O 3.02Å |
| 1311 | V | 73.5 | Confident | 63.1 | Low | 74 Ų | 74 | 72.2 Ų | 72.2 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -109.5 | -54.1 | -172.6 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | H1290 C1300 D1309 | H1290-V1311 PolarHBondContact N-O 3.02Å; C1300-V1311 HydrophobicContact CB-CG2 3.81Å; D1309-V1311 PolarHBondContact O-N 2.82Å; D1309-V1311 PolarHBondContact OD1-N 3.19Å |
| 1312 | N | 72.4 | Confident | 62.4 | Low | 122 Ų | 122 | 68.1 Ų | 68.1 | 65% | 0.652 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -95.7 | -38 | -178.2 | -54.4 | -73 | 0 | 0 | 0 | 111.2 | H1290 D1309 | H1290-N1312 PolarHBondContact CD2-O 3.2Å; H1290-N1312 VanDerWaalsContact CD2-O 3.29Å; D1309-N1312 PolarHBondContact OD1-N 2.75Å; D1309-N1312 PolarHBondContact OD2-ND2 3.05Å |
| 1313 | F | 65.2 | Low | 61.4 | Low | 95 Ų | 95 | 71.3 Ų | 71.3 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | trans | -152.4 | 157.7 | -177.7 | 80.5 | -70.6 | 0 | 0 | 0 | 114 | G1308 D1309 G1310 D1315 | G1308-F1313 WeakPolarHBondContact CA-O 3.33Å; D1309-F1313 HydrophobicContact CB-CE1 4.21Å; D1309-F1313 PolarHBondContact N-O 3.18Å; D1309-F1313 PolarHBondContact OD1-N 2.9Å; D1309-F1313 VanDerWaalsContact OD1-N 3.1Å; G1310-F1313 PolarHBondContact N-O 3.02Å; F1313-D1315 WeakPolarHBondContact CD2-OD2 3.08Å | ||
| 1314 | C | 71.3 | Confident | 60.9 | Low | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.014 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 113.2 | 170.7 | -67.5 | 0 | 0 | 0 | 0 | 108.5 | H1290 F1292 C1302 Y1306 V1307 | H1290-C1314 PolarHBondContact CE1-N 2.73Å; H1290-C1314 VanDerWaalsContact CE1-N 3.26Å; H1290-C1314 WeakPolarHBondContact ND1-CB 3.41Å; H1290-C1314 PolarHBondContact ND1-N 2.97Å; H1290-C1314 VanDerWaalsContact ND1-N 3.12Å; F1292-C1314 HydrophobicContact CB-CB 3.95Å; F1292-C1314 PolarHBondContact O-SG 2.71Å; F1292-C1314 VanDerWaalsContact O-SG 3.4Å; C1302-C1314 WeakPolarHBondContact CA-SG 3.31Å; C1302-C1314 HydrophobicContact CB-CB 3.74Å; C1302-C1314 WeakPolarHBondContact CB-SG 3.35Å; C1302-C1314 VanDerWaalsContact SG-CA 3.54Å; C1302-C1314 WeakPolarHBondContact SG-CB 3.35Å; C1302-C1314 CovalentContact SG-SG 2.04Å; C1302-C1314 PolarHBondContact SG-SG 2.04Å; Y1306-C1314 HydrophobicContact CD1-CB 4.42Å; Y1306-C1314 WeakPolarHBondContact CD1-O 3.18Å; V1307-C1314 CarbonylContact O-C 3.43Å; V1307-C1314 WeakPolarHBondContact O-CA 3.48Å |
| 1315 | D | 62.5 | Low | 61.4 | Low | 94 Ų | 94 | 67.8 Ų | 67.8 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 150.2 | -176.9 | -57.5 | -33.5 | 0 | 0 | 0 | 111.5 | Y1306 V1307 F1313 | Y1306-D1315 CarbonylContact C-O 3.59Å; Y1306-D1315 WeakPolarHBondContact CA-O 3.39Å; V1307-D1315 WeakPolarHBondContact CG2-O 3.4Å; V1307-D1315 PolarHBondContact N-O 3.34Å; V1307-D1315 PolarHBondContact O-N 2.03Å; F1313-D1315 WeakPolarHBondContact CD2-OD2 3.08Å |
| 1316 | A | 50.7 | Low | 61.7 | Low | 53 Ų | 53 | 77.8 Ų | 77.8 | 44% | 0.438 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 135.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | G1305 Y1306 A1318 | G1305-A1316 CarbonylContact O-C 3.46Å; G1305-A1316 WeakPolarHBondContact O-CA 2.98Å; Y1306-A1316 HydrophobicContact CD1-CB 4.41Å; Y1306-A1316 HydrophobicContact CE1-CB 4.26Å; A1316-A1318 PolarHBondContact O-N 3.3Å |
| 1317 | R | 53.2 | Low | 62.4 | Low | 133 Ų | 133 | 76.9 Ų | 76.9 | 50% | 0.502 | 44% | 0.44 | S | S | . | . | trans | -73.2 | 106.9 | 167.7 | -79.6 | -169.6 | 169.7 | 89.4 | -2.2 | 109.1 | G1305 Y1306 V1307 N1319 | G1305-R1317 PolarHBondContact O-N 3.34Å; Y1306-R1317 PolarHBondContact O-NH1 3.29Å; V1307-R1317 HydrophobicContact CG1-CG 3.91Å; V1307-R1317 HydrophobicContact CG2-CG 4.25Å; R1317-N1319 PolarHBondContact O-N 2.79Å | ||
| 1318 | A | 46.8 | Very low | 62.8 | Low | 81 Ų | 81 | 74.7 Ų | 74.7 | 67% | 0.669 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 131.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1316 | A1316-A1318 PolarHBondContact O-N 3.3Š|
| 1319 | N | 50.1 | Low | 62.3 | Low | 159 Ų | 159 | 76.7 Ų | 76.7 | 85% | 0.85 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 30.7 | 175.3 | -40.7 | -79 | 0 | 0 | 0 | 117.2 | R1317 | R1317-N1319 PolarHBondContact O-N 2.79Š|
| 1320 | D | 49.4 | Very low | 62.2 | Low | 38 Ų | 38 | 77 Ų | 77 | 20% | 0.203 | 44% | 0.442 | C | S | . | . | trans | -84.7 | 131.5 | 162.6 | -169.2 | -40 | 0 | 0 | 0 | 110.1 | H1304 C1322 D1323 | H1304-D1320 IonicContact CE1-OD2 3.83Å; H1304-D1320 PolarHBondContact CE1-OD2 2.85Å; H1304-D1320 IonicContact ND1-OD2 2.76Å; D1320-C1322 PolarHBondContact O-N 3.09Å; D1320-C1322 VanDerWaalsContact O-N 3.14Å; D1320-C1322 WeakPolarHBondContact OD1-CB 3.33Å; D1320-C1322 PolarHBondContact OD1-N 3.31Å; D1320-D1323 WeakPolarHBondContact O-CB 3.42Å; D1320-D1323 PolarHBondContact O-N 3.23Å | ||
| 1321 | P | 58.2 | Low | 62.5 | Low | 102 Ų | 102 | 77.6 Ų | 77.6 | 66% | 0.662 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -4.3 | 176.1 | 28.4 | -36 | 0 | 0 | 0 | 115.1 | G1336 | P1321-G1336 WeakPolarHBondContact O-CA 3.29Š|
| 1322 | C | 62.4 | Low | 62.6 | Low | 25 Ų | 25 | 79.1 Ų | 79.1 | 17% | 0.169 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 5.1 | 166.4 | -78.1 | 0 | 0 | 0 | 0 | 113.8 | D1320 G1324 V1325 C1333 | D1320-C1322 PolarHBondContact O-N 3.09Å; D1320-C1322 VanDerWaalsContact O-N 3.14Å; D1320-C1322 WeakPolarHBondContact OD1-CB 3.33Å; D1320-C1322 PolarHBondContact OD1-N 3.31Å; C1322-G1324 PolarHBondContact O-N 3.25Å; C1322-V1325 WeakPolarHBondContact O-CB 3.32Å; C1322-V1325 PolarHBondContact O-N 3.02Å; C1322-V1325 VanDerWaalsContact O-N 3.07Å; C1322-C1333 HydrophobicContact CB-CB 3.81Å; C1322-C1333 WeakPolarHBondContact CB-SG 3.42Å; C1322-C1333 WeakPolarHBondContact SG-CB 3.49Å; C1322-C1333 CovalentContact SG-SG 2.04Å; C1322-C1333 PolarHBondContact SG-SG 3.24Å |
| 1323 | D | 53.6 | Low | 62.9 | Low | 97 Ų | 97 | 75 Ų | 75 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 135.8 | 177.2 | -166.5 | 6.6 | 0 | 0 | 0 | 111.6 | D1320 V1325 | D1320-D1323 WeakPolarHBondContact O-CB 3.42Å; D1320-D1323 PolarHBondContact O-N 3.23Å; D1323-V1325 PolarHBondContact O-N 3.13Å; D1323-V1325 VanDerWaalsContact O-N 3.15Å |
| 1324 | G | 55.6 | Low | 63.3 | Low | 65 Ų | 65 | 74.9 Ų | 74.9 | 67% | 0.67 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | -8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | C1322 R1326 | C1322-G1324 PolarHBondContact O-N 3.25Å; G1324-R1326 PolarHBondContact O-N 3.05Å |
| 1325 | V | 68.5 | Low | 63.1 | Low | 48 Ų | 48 | 81.7 Ų | 81.7 | 29% | 0.291 | 46% | 0.464 | S | S | . | . | trans | -80.6 | 109.3 | -175.4 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | C1322 D1323 C1333 Y1349 | C1322-V1325 WeakPolarHBondContact O-CB 3.32Å; C1322-V1325 PolarHBondContact O-N 3.02Å; C1322-V1325 VanDerWaalsContact O-N 3.07Å; D1323-V1325 PolarHBondContact O-N 3.13Å; D1323-V1325 VanDerWaalsContact O-N 3.15Å; V1325-C1333 HydrophobicContact CG1-CB 4.41Å; V1325-Y1349 HydrophobicContact CG1-CE1 4.29Å | ||
| 1326 | R | 62.1 | Low | 63.4 | Low | 223 Ų | 223 | 78.4 Ų | 78.4 | 84% | 0.842 | 45% | 0.452 | S | S | * | . | trans | -91.1 | 131.9 | 172.5 | -59.1 | -172.7 | 72.2 | -158.7 | 0.9 | 110.9 | G1324 C1338 | G1324-R1326 PolarHBondContact O-N 3.05Å; R1326-C1338 PolarHBondContact O-SG 2.9Å; R1326-C1338 VanDerWaalsContact O-SG 3.36Å | ||
| 1327 | C | 80.2 | Confident | 64.7 | Low | 38 Ų | 38 | 83.7 Ų | 83.7 | 26% | 0.257 | 46% | 0.461 | S | S | . | . | trans | -113.7 | 161.6 | 174.9 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | G1331 C1338 G1348 | C1327-G1331 VanDerWaalsContact CB-O 3.28Å; C1327-G1331 WeakPolarHBondContact CB-O 3.37Å; C1327-C1338 WeakPolarHBondContact CA-SG 3.41Å; C1327-C1338 HydrophobicContact CB-CB 3.68Å; C1327-C1338 WeakPolarHBondContact CB-SG 3.46Å; C1327-C1338 VanDerWaalsContact SG-CA 3.59Å; C1327-C1338 WeakPolarHBondContact SG-CB 3.16Å; C1327-C1338 CovalentContact SG-SG 2.04Å; C1327-C1338 PolarHBondContact SG-SG 2.76Å; C1327-G1348 WeakPolarHBondContact CA-O 3.46Å; C1327-G1348 WeakPolarHBondContact CB-O 3.25Å | ||
| 1328 | A | 70 | Confident | 66.1 | Low | 14 Ų | 14 | 77.5 Ų | 77.5 | 12% | 0.116 | 44% | 0.438 | C | S | . | . | trans | -65.6 | 160.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1330 G1331 G1348 Y1349 C1352 | A1328-N1330 PolarHBondContact O-N 3.48Å; A1328-G1331 PolarHBondContact O-N 2.75Å; A1328-G1348 PolarHBondContact N-O 2.85Å; A1328-Y1349 PolarHBondContact N-O 2.71Å; A1328-C1352 HydrophobicContact CB-CB 4.46Å | ||
| 1329 | A | 65.5 | Low | 67.7 | Low | 81 Ų | 81 | 76 Ų | 76 | 67% | 0.669 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 133.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G1331 C1352 | A1329-G1331 VanDerWaalsContact C-N 3.32Å; A1329-C1352 WeakPolarHBondContact O-CB 3.46Å |
| 1330 | N | 64.1 | Low | 69.3 | Low | 72 Ų | 72 | 69.9 Ų | 69.9 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 28.7 | -170.4 | -41.9 | -63.3 | 0 | 0 | 0 | 114.9 | A1328 C1340 D1341 Y1344 C1352 | A1328-N1330 PolarHBondContact O-N 3.48Å; N1330-C1340 WeakPolarHBondContact O-CA 3.32Å; N1330-D1341 PolarHBondContact O-N 2.03Å; N1330-Y1344 HydrophobicContact CB-CD1 3.46Å; N1330-Y1344 VanDerWaalsContact CB-CD1 3.46Å; N1330-Y1344 HydrophobicContact CB-CD2 3.65Å; N1330-Y1344 HydrophobicContact CB-CE1 3.65Å; N1330-Y1344 HydrophobicContact CB-CE2 3.83Å; N1330-Y1344 HydrophobicContact CB-CG 3.47Å; N1330-Y1344 VanDerWaalsContact CB-CG 3.47Å; N1330-Y1344 WeakPolarHBondContact ND2-CE1 3.28Å; N1330-C1352 HydrophobicContact CB-CB 4.29Å; N1330-C1352 WeakPolarHBondContact O-CB 3.05Å |
| 1331 | G | 77.9 | Confident | 70.6 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 14% | 0.144 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1327 A1328 A1329 V1339 | C1327-G1331 VanDerWaalsContact CB-O 3.28Å; C1327-G1331 WeakPolarHBondContact CB-O 3.37Å; A1328-G1331 PolarHBondContact O-N 2.75Å; A1329-G1331 VanDerWaalsContact C-N 3.32Å; G1331-V1339 CarbonylContact C-O 3.52Å; G1331-V1339 VanDerWaalsContact CA-O 3.25Å; G1331-V1339 WeakPolarHBondContact CA-O 3.39Å |
| 1332 | R | 75.9 | Confident | 71.2 | Confident | 105 Ų | 105 | 71.2 Ų | 71.2 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 151.5 | 177.6 | 69 | 176.1 | -169.3 | -76.3 | -12 | 111.5 | C1338 V1339 D1341 | R1332-C1338 WeakPolarHBondContact O-CA 3.48Å; R1332-V1339 HydrophobicContact CG-CG2 4Å; R1332-V1339 PolarHBondContact N-O 3.1Å; R1332-V1339 PolarHBondContact O-N 3.43Å; R1332-D1341 WeakPolarHBondContact CD-OD1 3.48Å; R1332-D1341 WeakPolarHBondContact CG-OD1 3.47Å; R1332-D1341 IonicContact CZ-OD1 2.67Å; R1332-D1341 IonicContact NE-OD1 3.25Å; R1332-D1341 IonicContact NH1-OD1 2.69Å; R1332-D1341 PolarHBondContact NH1-OD1 2.63Å |
| 1333 | C | 77 | Confident | 71 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 25% | 0.25 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.3 | 168.1 | -174 | 0 | 0 | 0 | 0 | 110.3 | C1322 V1325 | C1322-C1333 HydrophobicContact CB-CB 3.81Å; C1322-C1333 WeakPolarHBondContact CB-SG 3.42Å; C1322-C1333 WeakPolarHBondContact SG-CB 3.49Å; C1322-C1333 CovalentContact SG-SG 2.04Å; C1322-C1333 PolarHBondContact SG-SG 3.24Å; V1325-C1333 HydrophobicContact CG1-CB 4.41Å |
| 1334 | Q | 73.8 | Confident | 71.9 | Confident | 92 Ų | 92 | 71 Ų | 71 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 120.5 | 172.7 | -175.9 | 171.6 | -20.9 | 0 | 0 | 108.2 | G1336 R1337 V1339 | Q1334-G1336 VanDerWaalsContact C-N 3.32Å; Q1334-G1336 PolarHBondContact O-N 2.78Å; Q1334-R1337 PolarHBondContact N-O 3.06Å; Q1334-R1337 PolarHBondContact O-N 3.34Å; Q1334-V1339 HydrophobicContact CB-CG2 4.13Å |
| 1335 | D | 67.3 | Low | 72.4 | Confident | 145 Ų | 145 | 72 Ų | 72 | 78% | 0.775 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 46 | -177 | -58.4 | -52.6 | 0 | 0 | 0 | 113.6 | R1337 | D1335-R1337 PolarHBondContact O-N 3.31Š|
| 1336 | G | 69.2 | Low | 72.9 | Confident | 25 Ų | 25 | 72 Ų | 72 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 2.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1321 Q1334 | P1321-G1336 WeakPolarHBondContact O-CA 3.29Å; Q1334-G1336 VanDerWaalsContact C-N 3.32Å; Q1334-G1336 PolarHBondContact O-N 2.78Å |
| 1337 | R | 77.6 | Confident | 73.4 | Confident | 164 Ų | 164 | 65 Ų | 65 | 62% | 0.619 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.7 | -179.7 | -178.2 | 168.4 | -173.6 | 154 | 6.1 | 112.1 | Q1334 D1335 Y1349 | Q1334-R1337 PolarHBondContact N-O 3.06Å; Q1334-R1337 PolarHBondContact O-N 3.34Å; D1335-R1337 PolarHBondContact O-N 3.31Å; R1337-Y1349 WeakPolarHBondContact CA-OH 3.34Å; R1337-Y1349 HydrophobicContact CG-CE2 4.36Å |
| 1338 | C | 84.2 | Confident | 73.3 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.02 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 136.5 | 173.1 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | R1326 C1327 R1332 G1348 Y1349 | R1326-C1338 PolarHBondContact O-SG 2.9Å; R1326-C1338 VanDerWaalsContact O-SG 3.36Å; C1327-C1338 WeakPolarHBondContact CA-SG 3.41Å; C1327-C1338 HydrophobicContact CB-CB 3.68Å; C1327-C1338 WeakPolarHBondContact CB-SG 3.46Å; C1327-C1338 VanDerWaalsContact SG-CA 3.59Å; C1327-C1338 WeakPolarHBondContact SG-CB 3.16Å; C1327-C1338 CovalentContact SG-SG 2.04Å; C1327-C1338 PolarHBondContact SG-SG 2.76Å; R1332-C1338 WeakPolarHBondContact O-CA 3.48Å; C1338-G1348 VanDerWaalsContact CB-C 3.45Å; C1338-G1348 WeakPolarHBondContact CB-O 3.3Å; C1338-Y1349 HydrophobicContact CB-CD1 4.05Å; C1338-Y1349 HydrophobicContact CB-CD2 4.14Å; C1338-Y1349 HydrophobicContact CB-CE1 4.04Å; C1338-Y1349 HydrophobicContact CB-CE2 4.12Å; C1338-Y1349 HydrophobicContact CB-CG 4.12Å; C1338-Y1349 VanDerWaalsContact SG-CD1 3.59Å; C1338-Y1349 VanDerWaalsContact SG-CE1 3.57Å |
| 1339 | V | 80.2 | Confident | 73.6 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 30% | 0.303 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.4 | 174.9 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | G1331 R1332 Q1334 | G1331-V1339 CarbonylContact C-O 3.52Å; G1331-V1339 VanDerWaalsContact CA-O 3.25Å; G1331-V1339 WeakPolarHBondContact CA-O 3.39Å; R1332-V1339 HydrophobicContact CG-CG2 4Å; R1332-V1339 PolarHBondContact N-O 3.1Å; R1332-V1339 PolarHBondContact O-N 3.43Å; Q1334-V1339 HydrophobicContact CB-CG2 4.13Å |
| 1340 | C | 83 | Confident | 74 | Confident | 30 Ų | 30 | 70 Ų | 70 | 20% | 0.203 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 144.3 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | N1330 G1346 C1352 | N1330-C1340 WeakPolarHBondContact O-CA 3.32Å; C1340-G1346 PolarHBondContact SG-N 2.91Å; C1340-G1346 VanDerWaalsContact SG-N 3.45Å; C1340-C1352 WeakPolarHBondContact CA-SG 3.36Å; C1340-C1352 HydrophobicContact CB-CB 3.78Å; C1340-C1352 WeakPolarHBondContact CB-SG 3.04Å; C1340-C1352 WeakPolarHBondContact SG-CB 3.3Å; C1340-C1352 CovalentContact SG-SG 2.04Å; C1340-C1352 PolarHBondContact SG-SG 2.68Å |
| 1341 | D | 77.4 | Confident | 74 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 158.1 | 179.6 | -75.5 | -54.7 | 0 | 0 | 0 | 112.2 | N1330 R1332 G1343 Y1344 | N1330-D1341 PolarHBondContact O-N 2.03Å; R1332-D1341 WeakPolarHBondContact CD-OD1 3.48Å; R1332-D1341 WeakPolarHBondContact CG-OD1 3.47Å; R1332-D1341 IonicContact CZ-OD1 2.67Å; R1332-D1341 IonicContact NE-OD1 3.25Å; R1332-D1341 IonicContact NH1-OD1 2.69Å; R1332-D1341 PolarHBondContact NH1-OD1 2.63Å; D1341-G1343 PolarHBondContact O-N 3.24Å; D1341-G1343 VanDerWaalsContact O-N 3.16Å; D1341-Y1344 WeakPolarHBondContact O-CB 3.3Å; D1341-Y1344 PolarHBondContact O-N 2.84Å |
| 1342 | P | 70.6 | Confident | 74.1 | Confident | 122 Ų | 122 | 70 Ų | 70 | 79% | 0.792 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 120.6 | -172.9 | -24.8 | 35.5 | 0 | 0 | 0 | 112.6 | ||
| 1343 | G | 58.5 | Low | 73.8 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 54% | 0.536 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.7 | -14.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1341 A1355 | D1341-G1343 PolarHBondContact O-N 3.24Å; D1341-G1343 VanDerWaalsContact O-N 3.16Å; G1343-A1355 WeakPolarHBondContact O-CB 3.19Å; G1343-A1355 PolarHBondContact O-N 2.58Å |
| 1344 | Y | 71 | Confident | 72.5 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 26% | 0.259 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 151.8 | -177.4 | -60.4 | -95.9 | 0 | 0 | 0 | 112.5 | N1330 D1341 R1353 E1354 | N1330-Y1344 HydrophobicContact CB-CD1 3.46Å; N1330-Y1344 VanDerWaalsContact CB-CD1 3.46Å; N1330-Y1344 HydrophobicContact CB-CD2 3.65Å; N1330-Y1344 HydrophobicContact CB-CE1 3.65Å; N1330-Y1344 HydrophobicContact CB-CE2 3.83Å; N1330-Y1344 HydrophobicContact CB-CG 3.47Å; N1330-Y1344 VanDerWaalsContact CB-CG 3.47Å; N1330-Y1344 WeakPolarHBondContact ND2-CE1 3.28Å; D1341-Y1344 WeakPolarHBondContact O-CB 3.3Å; D1341-Y1344 PolarHBondContact O-N 2.84Å; Y1344-R1353 CarbonylContact C-O 3.19Å; Y1344-R1353 VanDerWaalsContact CA-O 3.23Å; Y1344-R1353 WeakPolarHBondContact CA-O 3.2Å; Y1344-E1354 HydrophobicContact CD1-CG 3.95Å; Y1344-E1354 HydrophobicContact CE1-CB 4.38Å; Y1344-E1354 HydrophobicContact CE1-CG 3.39Å |
| 1345 | T | 65.8 | Low | 71.4 | Confident | 86 Ų | 86 | 75.8 Ų | 75.8 | 53% | 0.528 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.7 | 178.3 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | R1353 A1355 | T1345-R1353 PolarHBondContact N-O 2.86Å; T1345-R1353 PolarHBondContact O-N 2.96Å; T1345-A1355 HydrophobicContact CG2-CB 4.34Å |
| 1346 | G | 80.2 | Confident | 70 | Confident | 48 Ų | 48 | 78 Ų | 78 | 50% | 0.495 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | -164 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1340 E1351 | C1340-G1346 PolarHBondContact SG-N 2.91Å; C1340-G1346 VanDerWaalsContact SG-N 3.45Å; G1346-E1351 CarbonylContact C-O 3.58Å; G1346-E1351 VanDerWaalsContact CA-O 3.26Å; G1346-E1351 WeakPolarHBondContact CA-O 3.49Å |
| 1347 | D | 73.2 | Confident | 68.6 | Low | 76 Ų | 76 | 80.1 Ų | 80.1 | 41% | 0.406 | 44% | 0.441 | S | S | . | . | trans | -86.4 | -13.1 | -178.2 | 79.8 | -13.7 | 0 | 0 | 0 | 113.8 | Y1349 N1350 E1351 | D1347-Y1349 VanDerWaalsContact C-N 3.27Å; D1347-Y1349 WeakPolarHBondContact O-CD2 3.48Å; D1347-Y1349 PolarHBondContact O-N 2.88Å; D1347-Y1349 PolarHBondContact OD1-N 3.05Å; D1347-N1350 PolarHBondContact OD1-N 3.17Å; D1347-N1350 PolarHBondContact OD2-ND2 3.09Å; D1347-E1351 PolarHBondContact N-O 3.32Å; D1347-E1351 PolarHBondContact OD1-N 2.86Å | ||
| 1348 | G | 76.6 | Confident | 66.5 | Low | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 45% | 0.451 | C | S | . | . | S | Bend | trans | 86.9 | -26.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C1327 A1328 C1338 E1351 C1352 | C1327-G1348 WeakPolarHBondContact CA-O 3.46Å; C1327-G1348 WeakPolarHBondContact CB-O 3.25Å; A1328-G1348 PolarHBondContact N-O 2.85Å; C1338-G1348 VanDerWaalsContact CB-C 3.45Å; C1338-G1348 WeakPolarHBondContact CB-O 3.3Å; G1348-E1351 PolarHBondContact N-O 2.88Å; G1348-E1351 VanDerWaalsContact N-O 3.13Å; G1348-C1352 VanDerWaalsContact CA-SG 3.58Å |
| 1349 | Y | 77.7 | Confident | 64.3 | Low | 97 Ų | 97 | 84.5 Ų | 84.5 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -103.4 | -44.3 | -169.5 | -73.3 | -84.2 | 0 | 0 | 0 | 112.8 | V1325 A1328 R1337 C1338 D1347 | V1325-Y1349 HydrophobicContact CG1-CE1 4.29Å; A1328-Y1349 PolarHBondContact N-O 2.71Å; R1337-Y1349 WeakPolarHBondContact CA-OH 3.34Å; R1337-Y1349 HydrophobicContact CG-CE2 4.36Å; C1338-Y1349 HydrophobicContact CB-CD1 4.05Å; C1338-Y1349 HydrophobicContact CB-CD2 4.14Å; C1338-Y1349 HydrophobicContact CB-CE1 4.04Å; C1338-Y1349 HydrophobicContact CB-CE2 4.12Å; C1338-Y1349 HydrophobicContact CB-CG 4.12Å; C1338-Y1349 VanDerWaalsContact SG-CD1 3.59Å; C1338-Y1349 VanDerWaalsContact SG-CE1 3.57Å; D1347-Y1349 VanDerWaalsContact C-N 3.27Å; D1347-Y1349 WeakPolarHBondContact O-CD2 3.48Å; D1347-Y1349 PolarHBondContact O-N 2.88Å; D1347-Y1349 PolarHBondContact OD1-N 3.05Å |
| 1350 | N | 72.7 | Confident | 62.4 | Low | 140 Ų | 140 | 88.3 Ų | 88.3 | 75% | 0.749 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -109.3 | -29.4 | 179.3 | -54.4 | -80.4 | 0 | 0 | 0 | 111 | D1347 | D1347-N1350 PolarHBondContact OD1-N 3.17Å; D1347-N1350 PolarHBondContact OD2-ND2 3.09Å |
| 1351 | E | 65.2 | Low | 61.2 | Low | 78 Ų | 78 | 88.8 Ų | 88.8 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | trans | -146.5 | 133 | -170.3 | -175.6 | 165.2 | 124 | 0 | 0 | 113.1 | G1346 D1347 G1348 R1353 | G1346-E1351 CarbonylContact C-O 3.58Å; G1346-E1351 VanDerWaalsContact CA-O 3.26Å; G1346-E1351 WeakPolarHBondContact CA-O 3.49Å; D1347-E1351 PolarHBondContact N-O 3.32Å; D1347-E1351 PolarHBondContact OD1-N 2.86Å; G1348-E1351 PolarHBondContact N-O 2.88Å; G1348-E1351 VanDerWaalsContact N-O 3.13Å; E1351-R1353 HydrophobicContact CG-CG 3.74Å; E1351-R1353 IonicContact OE1-CZ 2.76Å; E1351-R1353 IonicContact OE1-NE 3.95Å; E1351-R1353 PolarHBondContact OE1-NE 2.88Å; E1351-R1353 IonicContact OE1-NH2 3.82Å; E1351-R1353 IonicContact OE2-CZ 3.2Å; E1351-R1353 VanDerWaalsContact OE2-CZ 3.24Å; E1351-R1353 IonicContact OE2-NE 2.76Å; E1351-R1353 PolarHBondContact OE2-NE 3.47Å; E1351-R1353 IonicContact OE2-NH2 2.75Å; E1351-R1353 PolarHBondContact OE2-NH2 3.24Å | ||
| 1352 | C | 78.4 | Confident | 59.9 | Low | 9 Ų | 9 | 89.4 Ų | 89.4 | 6% | 0.061 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 95.5 | 159.1 | -70.7 | 0 | 0 | 0 | 0 | 108 | A1328 A1329 N1330 C1340 G1348 | A1328-C1352 HydrophobicContact CB-CB 4.46Å; A1329-C1352 WeakPolarHBondContact O-CB 3.46Å; N1330-C1352 HydrophobicContact CB-CB 4.29Å; N1330-C1352 WeakPolarHBondContact O-CB 3.05Å; C1340-C1352 WeakPolarHBondContact CA-SG 3.36Å; C1340-C1352 HydrophobicContact CB-CB 3.78Å; C1340-C1352 WeakPolarHBondContact CB-SG 3.04Å; C1340-C1352 WeakPolarHBondContact SG-CB 3.3Å; C1340-C1352 CovalentContact SG-SG 2.04Å; C1340-C1352 PolarHBondContact SG-SG 2.68Å; G1348-C1352 VanDerWaalsContact CA-SG 3.58Å |
| 1353 | R | 69.8 | Low | 59.1 | Low | 161 Ų | 161 | 91.3 Ų | 91.3 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 155.8 | 178.1 | -59.8 | -173.9 | -166.5 | -179.3 | 12.9 | 110.6 | Y1344 T1345 E1351 | Y1344-R1353 CarbonylContact C-O 3.19Å; Y1344-R1353 VanDerWaalsContact CA-O 3.23Å; Y1344-R1353 WeakPolarHBondContact CA-O 3.2Å; T1345-R1353 PolarHBondContact N-O 2.86Å; T1345-R1353 PolarHBondContact O-N 2.96Å; E1351-R1353 HydrophobicContact CG-CG 3.74Å; E1351-R1353 IonicContact OE1-CZ 2.76Å; E1351-R1353 IonicContact OE1-NE 3.95Å; E1351-R1353 PolarHBondContact OE1-NE 2.88Å; E1351-R1353 IonicContact OE1-NH2 3.82Å; E1351-R1353 IonicContact OE2-CZ 3.2Å; E1351-R1353 VanDerWaalsContact OE2-CZ 3.24Å; E1351-R1353 IonicContact OE2-NE 2.76Å; E1351-R1353 PolarHBondContact OE2-NE 3.47Å; E1351-R1353 IonicContact OE2-NH2 2.75Å; E1351-R1353 PolarHBondContact OE2-NH2 3.24Å |
| 1354 | E | 49.5 | Very low | 59.1 | Low | 141 Ų | 141 | 90.9 Ų | 90.9 | 66% | 0.659 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 142.7 | 173.2 | -67.4 | -176.2 | 165.2 | 0 | 0 | 111 | Y1344 E1356 | Y1344-E1354 HydrophobicContact CD1-CG 3.95Å; Y1344-E1354 HydrophobicContact CE1-CB 4.38Å; Y1344-E1354 HydrophobicContact CE1-CG 3.39Å; E1354-E1356 PolarHBondContact O-N 2.88Å |
| 1355 | A | 50.8 | Low | 59.1 | Low | 52 Ų | 52 | 96 Ų | 96 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | trans | -73.9 | 89 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1343 T1345 G1357 | G1343-A1355 WeakPolarHBondContact O-CB 3.19Å; G1343-A1355 PolarHBondContact O-N 2.58Å; T1345-A1355 HydrophobicContact CG2-CB 4.34Å; A1355-G1357 PolarHBondContact O-N 2.87Å; A1355-G1357 VanDerWaalsContact O-N 3.1Å | ||
| 1356 | E | 37.7 | Very low | 59.7 | Low | 193 Ų | 193 | 93.3 Ų | 93.3 | 90% | 0.902 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -23.6 | 104.8 | 171.3 | -79.5 | -78.8 | 175.2 | 0 | 0 | 113.9 | E1354 | E1354-E1356 PolarHBondContact O-N 2.88Š|
| 1357 | G | 39.7 | Very low | 60 | Low | 68 Ų | 68 | 92.8 Ų | 92.8 | 70% | 0.701 | 51% | 0.505 | S | S | * | . | trans | 175.9 | -7.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | A1355 | A1355-G1357 PolarHBondContact O-N 2.87Å; A1355-G1357 VanDerWaalsContact O-N 3.1Å | ||
| 1358 | V | 34.1 | Very low | 60.3 | Low | 136 Ų | 136 | 96.1 Ų | 96.1 | 82% | 0.824 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -124.4 | 79.5 | -170.8 | -167.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1359 | N | 37.6 | Very low | 60.7 | Low | 124 Ų | 124 | 100.1 Ų | 100.1 | 66% | 0.663 | 53% | 0.534 | S | S | * | . | trans | 36.4 | 87.5 | 148.9 | -168.4 | 8.4 | 0 | 0 | 0 | 119.1 | C1361 G1362 | N1359-C1361 PolarHBondContact O-N 2.98Å; N1359-C1361 VanDerWaalsContact O-N 3.12Å; N1359-C1361 PolarHBondContact OD1-N 2.84Å; N1359-G1362 PolarHBondContact O-N 3.49Å | ||
| 1360 | L | 41.7 | Very low | 61 | Low | 130 Ų | 130 | 96.3 Ų | 96.3 | 68% | 0.681 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -11.3 | -179 | -73.1 | 73.6 | 0 | 0 | 0 | 115.8 | G1362 | L1360-G1362 VanDerWaalsContact C-N 3.29Å; L1360-G1362 PolarHBondContact O-N 2.6Å |
| 1361 | C | 57.4 | Low | 61.4 | Low | 40 Ų | 40 | 93.6 Ų | 93.6 | 27% | 0.27 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 3.2 | -179.8 | -73.3 | 0 | 0 | 0 | 0 | 114.3 | N1359 N1363 V1364 C1372 | N1359-C1361 PolarHBondContact O-N 2.98Å; N1359-C1361 VanDerWaalsContact O-N 3.12Å; N1359-C1361 PolarHBondContact OD1-N 2.84Å; C1361-N1363 VanDerWaalsContact C-N 3.3Å; C1361-N1363 PolarHBondContact O-N 2.97Å; C1361-V1364 PolarHBondContact O-N 2.84Å; C1361-C1372 VanDerWaalsContact CA-SG 3.58Å; C1361-C1372 HydrophobicContact CB-CB 3.88Å; C1361-C1372 WeakPolarHBondContact CB-SG 3.01Å; C1361-C1372 WeakPolarHBondContact SG-CB 3.06Å; C1361-C1372 CovalentContact SG-SG 2.04Å; C1361-C1372 PolarHBondContact SG-SG 3.31Å |
| 1362 | G | 49.8 | Very low | 62 | Low | 58 Ų | 58 | 91.4 Ų | 91.4 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.2 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | N1359 L1360 | N1359-G1362 PolarHBondContact O-N 3.49Å; L1360-G1362 VanDerWaalsContact C-N 3.29Å; L1360-G1362 PolarHBondContact O-N 2.6Å |
| 1363 | N | 52.6 | Low | 61.4 | Low | 162 Ų | 162 | 95.5 Ų | 95.5 | 87% | 0.866 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 13.8 | 178.9 | -73.8 | -52.9 | 0 | 0 | 0 | 113.3 | C1361 Q1365 | C1361-N1363 VanDerWaalsContact C-N 3.3Å; C1361-N1363 PolarHBondContact O-N 2.97Å; N1363-Q1365 PolarHBondContact O-N 3.33Å; N1363-Q1365 VanDerWaalsContact O-N 3.11Å |
| 1364 | V | 59.7 | Low | 61.2 | Low | 44 Ų | 44 | 97.4 Ų | 97.4 | 27% | 0.267 | 53% | 0.533 | S | S | . | . | trans | -82.3 | 97.3 | -172.7 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | C1361 C1366 C1377 Y1388 | C1361-V1364 PolarHBondContact O-N 2.84Å; V1364-C1366 PolarHBondContact O-N 2.04Å; V1364-C1366 VanDerWaalsContact O-N 3.1Å; V1364-C1377 WeakPolarHBondContact CG1-SG 3.07Å; V1364-Y1388 HydrophobicContact CG1-CE1 4.23Å | ||
| 1365 | Q | 71.8 | Confident | 61.8 | Low | 172 Ų | 172 | 91.7 Ų | 91.7 | 80% | 0.804 | 51% | 0.512 | S | S | * | . | trans | -69.7 | 98.3 | 171.8 | -73.9 | -85.1 | -38 | 0 | 0 | 109.5 | N1363 | N1363-Q1365 PolarHBondContact O-N 3.33Å; N1363-Q1365 VanDerWaalsContact O-N 3.11Å | ||
| 1366 | C | 77.6 | Confident | 62.8 | Low | 30 Ų | 30 | 95.9 Ų | 95.9 | 20% | 0.203 | 52% | 0.523 | C | S | . | . | trans | -83.9 | 155.5 | 168.4 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | V1364 A1370 C1372 C1377 | V1364-C1366 PolarHBondContact O-N 2.04Å; V1364-C1366 VanDerWaalsContact O-N 3.1Å; C1366-A1370 HydrophobicContact CB-CB 3.89Å; C1366-C1372 PolarHBondContact SG-N 3.32Å; C1366-C1377 WeakPolarHBondContact CA-SG 3.31Å; C1366-C1377 HydrophobicContact CB-CB 3.67Å; C1366-C1377 WeakPolarHBondContact CB-SG 3.38Å; C1366-C1377 WeakPolarHBondContact SG-CB 3.47Å; C1366-C1377 CovalentContact SG-SG 2.03Å; C1366-C1377 PolarHBondContact SG-SG 2.85Å | ||
| 1367 | H | 85.8 | Confident | 65.1 | Low | 37 Ų | 37 | 87.2 Ų | 87.2 | 17% | 0.171 | 48% | 0.483 | C | S | . | . | trans | -56.9 | 152.2 | 171 | -179.2 | -110.2 | 0 | 0 | 0 | 110.5 | Y1369 A1370 G1387 Y1388 S1389 C1391 | H1367-Y1369 AromaticContact CE1-CD2 3.71Å; H1367-Y1369 PolarHBondContact ND1-N 3.07Å; H1367-Y1369 PolarHBondContact O-N 3.45Å; H1367-A1370 HydrophobicContact CB-CB 4.32Å; H1367-A1370 WeakPolarHBondContact O-CB 3.4Å; H1367-A1370 PolarHBondContact O-N 2.03Å; H1367-G1387 PolarHBondContact N-O 3.5Å; H1367-Y1388 PolarHBondContact N-O 2.94Å; H1367-Y1388 VanDerWaalsContact N-O 3.15Å; H1367-S1389 PolarHBondContact CD2-O 2.9Å; H1367-S1389 VanDerWaalsContact CD2-O 3.25Å; H1367-C1391 PolarHBondContact CE1-N 2.94Å; H1367-C1391 PolarHBondContact CE1-O 2.84Å; H1367-C1391 VanDerWaalsContact CE1-O 3.23Å; H1367-C1391 VanDerWaalsContact ND1-CB 3.32Å; H1367-C1391 WeakPolarHBondContact ND1-CB 3.08Å; H1367-C1391 PolarHBondContact ND1-N 2.93Å; H1367-C1391 VanDerWaalsContact ND1-N 3.15Å | ||
| 1368 | Q | 80.2 | Confident | 67 | Low | 146 Ų | 146 | 92.8 Ų | 92.8 | 68% | 0.682 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -19.4 | -175.8 | 61.2 | 176.2 | -25.6 | 0 | 0 | 115 | ||
| 1369 | Y | 84.5 | Confident | 69.4 | Low | 84 Ų | 84 | 87.1 Ų | 87.1 | 33% | 0.329 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 40 | 173.9 | -52.1 | -55 | 0 | 0 | 0 | 111.7 | H1367 C1379 V1380 Y1383 C1391 | H1367-Y1369 AromaticContact CE1-CD2 3.71Å; H1367-Y1369 PolarHBondContact ND1-N 3.07Å; H1367-Y1369 PolarHBondContact O-N 3.45Å; Y1369-C1379 CarbonylContact O-C 3.51Å; Y1369-C1379 VanDerWaalsContact O-CA 3.32Å; Y1369-C1379 WeakPolarHBondContact O-CA 3.25Å; Y1369-V1380 WeakPolarHBondContact O-CG2 3.43Å; Y1369-V1380 PolarHBondContact O-N 2.76Å; Y1369-Y1383 HydrophobicContact CD1-CE1 4Å; Y1369-Y1383 HydrophobicContact CD1-CE2 4.1Å; Y1369-Y1383 AromaticContact CD1-CZ 3.77Å; Y1369-Y1383 AromaticContact CD2-CD1 3.37Å; Y1369-Y1383 HydrophobicContact CD2-CD1 3.37Å; Y1369-Y1383 AromaticContact CD2-CE1 3.11Å; Y1369-Y1383 HydrophobicContact CD2-CE1 3.11Å; Y1369-Y1383 HydrophobicContact CD2-CG 4.24Å; Y1369-Y1383 AromaticContact CD2-CZ 3.78Å; Y1369-Y1383 HydrophobicContact CE1-CE1 4.22Å; Y1369-Y1383 AromaticContact CE1-CZ 3.93Å; Y1369-Y1383 HydrophobicContact CE2-CD1 4.1Å; Y1369-Y1383 AromaticContact CE2-CE1 3.38Å; Y1369-Y1383 HydrophobicContact CE2-CE1 3.38Å; Y1369-Y1383 AromaticContact CE2-CZ 3.93Å; Y1369-Y1383 AromaticContact CG-CD1 3.63Å; Y1369-Y1383 HydrophobicContact CG-CD1 3.63Å; Y1369-Y1383 HydrophobicContact CG-CD2 4.23Å; Y1369-Y1383 AromaticContact CG-CE1 3.46Å; Y1369-Y1383 HydrophobicContact CG-CE1 3.46Å; Y1369-Y1383 VanDerWaalsContact CG-CE1 3.46Å; Y1369-Y1383 HydrophobicContact CG-CE2 4.07Å; Y1369-Y1383 HydrophobicContact CG-CG 4.05Å; Y1369-Y1383 AromaticContact CG-CZ 3.7Å; Y1369-Y1383 AromaticContact CZ-CE1 3.93Å; Y1369-Y1383 AromaticContact CZ-CZ 4Å; Y1369-C1391 PolarHBondContact O-SG 2.85Å |
| 1370 | A | 84.8 | Confident | 71.5 | Confident | 18 Ų | 18 | 83.9 Ų | 83.9 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 163.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1366 H1367 R1378 G1387 | C1366-A1370 HydrophobicContact CB-CB 3.89Å; H1367-A1370 HydrophobicContact CB-CB 4.32Å; H1367-A1370 WeakPolarHBondContact O-CB 3.4Å; H1367-A1370 PolarHBondContact O-N 2.03Å; A1370-R1378 CarbonylContact C-O 3.31Å; A1370-R1378 WeakPolarHBondContact CA-O 3.23Å; A1370-R1378 WeakPolarHBondContact CB-O 3.41Å; A1370-G1387 WeakPolarHBondContact CB-O 3.46Å |
| 1371 | T | 80.6 | Confident | 73 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.8 | 174.6 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | C1377 R1378 | T1371-C1377 WeakPolarHBondContact O-CA 3.44Å; T1371-R1378 PolarHBondContact N-O 3.46Å; T1371-R1378 PolarHBondContact O-N 3.28Å |
| 1372 | C | 77.3 | Confident | 73.3 | Confident | 32 Ų | 32 | 85 Ų | 85 | 22% | 0.216 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 127.3 | 169.6 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | C1361 C1366 G1375 Q1376 | C1361-C1372 VanDerWaalsContact CA-SG 3.58Å; C1361-C1372 HydrophobicContact CB-CB 3.88Å; C1361-C1372 WeakPolarHBondContact CB-SG 3.01Å; C1361-C1372 WeakPolarHBondContact SG-CB 3.06Å; C1361-C1372 CovalentContact SG-SG 2.04Å; C1361-C1372 PolarHBondContact SG-SG 3.31Å; C1366-C1372 PolarHBondContact SG-N 3.32Å; C1372-G1375 VanDerWaalsContact SG-CA 3.57Å; C1372-G1375 PolarHBondContact SG-N 2.81Å; C1372-Q1376 CarbonylContact C-O 3.53Å; C1372-Q1376 WeakPolarHBondContact CA-O 3.03Å |
| 1373 | D | 67.1 | Low | 74.6 | Confident | 96 Ų | 96 | 85.4 Ų | 85.4 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.7 | 160.9 | -176.7 | 28.9 | 0 | 0 | 0 | 108.5 | G1375 Q1376 | D1373-G1375 PolarHBondContact O-N 3.49Å; D1373-Q1376 PolarHBondContact N-O 3.22Å; D1373-Q1376 PolarHBondContact O-N 3.03Å; D1373-Q1376 VanDerWaalsContact O-O 3.12Å |
| 1374 | R | 64.3 | Low | 75.2 | Confident | 200 Ų | 200 | 81.3 Ų | 81.3 | 76% | 0.755 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 30.9 | -178.5 | -59.7 | -174.3 | -179.6 | 85.7 | -6.3 | 116.2 | ||
| 1375 | G | 62.4 | Low | 76.1 | Confident | 22 Ų | 22 | 80.7 Ų | 80.7 | 23% | 0.227 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -4.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C1372 D1373 | C1372-G1375 VanDerWaalsContact SG-CA 3.57Å; C1372-G1375 PolarHBondContact SG-N 2.81Å; D1373-G1375 PolarHBondContact O-N 3.49Å |
| 1376 | Q | 72.7 | Confident | 76.2 | Confident | 140 Ų | 140 | 76.1 Ų | 76.1 | 65% | 0.654 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 144.3 | 170.5 | -71 | -170.9 | -34.9 | 0 | 0 | 111.5 | C1372 D1373 Y1388 | C1372-Q1376 CarbonylContact C-O 3.53Å; C1372-Q1376 WeakPolarHBondContact CA-O 3.03Å; D1373-Q1376 PolarHBondContact N-O 3.22Å; D1373-Q1376 PolarHBondContact O-N 3.03Å; D1373-Q1376 VanDerWaalsContact O-O 3.12Å; Q1376-Y1388 VanDerWaalsContact CA-OH 3.32Å; Q1376-Y1388 WeakPolarHBondContact CA-OH 3.4Å |
| 1377 | C | 85.4 | Confident | 76.3 | Confident | 11 Ų | 11 | 74.7 Ų | 74.7 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 139.9 | 174.4 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | V1364 C1366 T1371 G1387 Y1388 | V1364-C1377 WeakPolarHBondContact CG1-SG 3.07Å; C1366-C1377 WeakPolarHBondContact CA-SG 3.31Å; C1366-C1377 HydrophobicContact CB-CB 3.67Å; C1366-C1377 WeakPolarHBondContact CB-SG 3.38Å; C1366-C1377 WeakPolarHBondContact SG-CB 3.47Å; C1366-C1377 CovalentContact SG-SG 2.03Å; C1366-C1377 PolarHBondContact SG-SG 2.85Å; T1371-C1377 WeakPolarHBondContact O-CA 3.44Å; C1377-G1387 VanDerWaalsContact CB-C 3.48Å; C1377-G1387 WeakPolarHBondContact CB-O 3.26Å; C1377-Y1388 HydrophobicContact CB-CD1 3.78Å; C1377-Y1388 HydrophobicContact CB-CD2 4.3Å; C1377-Y1388 HydrophobicContact CB-CE1 3.7Å; C1377-Y1388 HydrophobicContact CB-CE2 4.23Å; C1377-Y1388 HydrophobicContact CB-CG 4.08Å; C1377-Y1388 PolarHBondContact N-OH 3.32Å; C1377-Y1388 WeakPolarHBondContact SG-CD1 3.33Å; C1377-Y1388 WeakPolarHBondContact SG-CE1 3.45Å |
| 1378 | R | 80.1 | Confident | 76.1 | Confident | 185 Ų | 185 | 78 Ų | 78 | 70% | 0.698 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.5 | 174 | -155.8 | -169.6 | 80.8 | 162.3 | 6.6 | 111 | A1370 T1371 | A1370-R1378 CarbonylContact C-O 3.31Å; A1370-R1378 WeakPolarHBondContact CA-O 3.23Å; A1370-R1378 WeakPolarHBondContact CB-O 3.41Å; T1371-R1378 PolarHBondContact N-O 3.46Å; T1371-R1378 PolarHBondContact O-N 3.28Å |
| 1379 | C | 83.6 | Confident | 76.1 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 11% | 0.108 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 143.9 | 178.8 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | Y1369 Y1383 G1385 D1390 C1391 | Y1369-C1379 CarbonylContact O-C 3.51Å; Y1369-C1379 VanDerWaalsContact O-CA 3.32Å; Y1369-C1379 WeakPolarHBondContact O-CA 3.25Å; C1379-Y1383 WeakPolarHBondContact CB-O 3.47Å; C1379-G1385 PolarHBondContact SG-O 2.86Å; C1379-D1390 PolarHBondContact SG-O 2.92Å; C1379-C1391 WeakPolarHBondContact CA-SG 3.38Å; C1379-C1391 HydrophobicContact CB-CB 3.78Å; C1379-C1391 WeakPolarHBondContact CB-SG 3.46Å; C1379-C1391 WeakPolarHBondContact SG-CB 3.39Å; C1379-C1391 CovalentContact SG-SG 2.04Å; C1379-C1391 PolarHBondContact SG-SG 2.72Å |
| 1380 | V | 82.4 | Confident | 75.3 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 34% | 0.339 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 155.1 | 176.8 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | Y1369 G1382 Y1383 | Y1369-V1380 WeakPolarHBondContact O-CG2 3.43Å; Y1369-V1380 PolarHBondContact O-N 2.76Å; V1380-G1382 PolarHBondContact O-N 2.91Å; V1380-Y1383 HydrophobicContact CG2-CD2 3.88Å; V1380-Y1383 HydrophobicContact CG2-CE2 4.39Å; V1380-Y1383 PolarHBondContact O-N 2.86Å |
| 1381 | T | 73.4 | Confident | 75 | Confident | 145 Ų | 145 | 72.5 Ų | 72.5 | 89% | 0.89 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 124.7 | -172.8 | -32.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1382 | G | 63.6 | Low | 74.6 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 50% | 0.495 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | -1.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1380 V1394 | V1380-G1382 PolarHBondContact O-N 2.91Å; G1382-V1394 PolarHBondContact O-N 3.3Å |
| 1383 | Y | 77.2 | Confident | 73.9 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 150.8 | 173.2 | -60.4 | -105.5 | 0 | 0 | 0 | 111.1 | Y1369 C1379 V1380 C1391 R1392 P1393 | Y1369-Y1383 HydrophobicContact CD1-CE1 4Å; Y1369-Y1383 HydrophobicContact CD1-CE2 4.1Å; Y1369-Y1383 AromaticContact CD1-CZ 3.77Å; Y1369-Y1383 AromaticContact CD2-CD1 3.37Å; Y1369-Y1383 HydrophobicContact CD2-CD1 3.37Å; Y1369-Y1383 AromaticContact CD2-CE1 3.11Å; Y1369-Y1383 HydrophobicContact CD2-CE1 3.11Å; Y1369-Y1383 HydrophobicContact CD2-CG 4.24Å; Y1369-Y1383 AromaticContact CD2-CZ 3.78Å; Y1369-Y1383 HydrophobicContact CE1-CE1 4.22Å; Y1369-Y1383 AromaticContact CE1-CZ 3.93Å; Y1369-Y1383 HydrophobicContact CE2-CD1 4.1Å; Y1369-Y1383 AromaticContact CE2-CE1 3.38Å; Y1369-Y1383 HydrophobicContact CE2-CE1 3.38Å; Y1369-Y1383 AromaticContact CE2-CZ 3.93Å; Y1369-Y1383 AromaticContact CG-CD1 3.63Å; Y1369-Y1383 HydrophobicContact CG-CD1 3.63Å; Y1369-Y1383 HydrophobicContact CG-CD2 4.23Å; Y1369-Y1383 AromaticContact CG-CE1 3.46Å; Y1369-Y1383 HydrophobicContact CG-CE1 3.46Å; Y1369-Y1383 VanDerWaalsContact CG-CE1 3.46Å; Y1369-Y1383 HydrophobicContact CG-CE2 4.07Å; Y1369-Y1383 HydrophobicContact CG-CG 4.05Å; Y1369-Y1383 AromaticContact CG-CZ 3.7Å; Y1369-Y1383 AromaticContact CZ-CE1 3.93Å; Y1369-Y1383 AromaticContact CZ-CZ 4Å; C1379-Y1383 WeakPolarHBondContact CB-O 3.47Å; V1380-Y1383 HydrophobicContact CG2-CD2 3.88Å; V1380-Y1383 HydrophobicContact CG2-CE2 4.39Å; V1380-Y1383 PolarHBondContact O-N 2.86Å; Y1383-C1391 WeakPolarHBondContact CD1-O 3.39Å; Y1383-R1392 CarbonylContact C-O 3.53Å; Y1383-R1392 WeakPolarHBondContact CA-O 3.36Å; Y1383-R1392 VanDerWaalsContact CD1-C 3.49Å; Y1383-P1393 VanDerWaalsContact CD1-CA 3.44Å; Y1383-P1393 HydrophobicContact CD1-CB 3.93Å; Y1383-P1393 HydrophobicContact CD1-CG 4.47Å; Y1383-P1393 HydrophobicContact CE1-CB 3.58Å; Y1383-P1393 HydrophobicContact CE1-CG 4.07Å |
| 1384 | D | 64 | Low | 73.2 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 40% | 0.401 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147 | 179.5 | 179.4 | 43.9 | 0 | 0 | 0 | 111.5 | C1391 R1392 V1394 K1398 | D1384-C1391 CarbonylContact O-C 3.51Å; D1384-C1391 VanDerWaalsContact O-CA 3.32Å; D1384-C1391 WeakPolarHBondContact O-CA 3.28Å; D1384-R1392 PolarHBondContact N-O 2.97Å; D1384-R1392 PolarHBondContact O-N 2.92Å; D1384-V1394 HydrophobicContact CB-CG2 4.13Å; D1384-K1398 IonicContact OD2-NZ 3.85Å; D1384-K1398 PolarHBondContact OD2-NZ 3.02Å |
| 1385 | G | 79.8 | Confident | 72.5 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 147.6 | -170 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1379 G1387 D1390 | C1379-G1385 PolarHBondContact SG-O 2.86Å; G1385-G1387 VanDerWaalsContact C-N 3.31Å; G1385-G1387 PolarHBondContact O-N 2.96Å; G1385-D1390 CarbonylContact C-O 3.35Å; G1385-D1390 VanDerWaalsContact C-O 3.22Å; G1385-D1390 VanDerWaalsContact CA-O 3.28Å; G1385-D1390 WeakPolarHBondContact CA-O 3.42Å |
| 1386 | D | 73.2 | Confident | 71.5 | Confident | 76 Ų | 76 | 80.9 Ų | 80.9 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | trans | -70.5 | -18.6 | -174.2 | 72.9 | 10.8 | 0 | 0 | 0 | 114.9 | Y1388 S1389 D1390 | D1386-Y1388 VanDerWaalsContact C-N 3.31Å; D1386-Y1388 VanDerWaalsContact O-CD2 3.22Å; D1386-Y1388 WeakPolarHBondContact O-CD2 3.38Å; D1386-Y1388 PolarHBondContact O-N 2.96Å; D1386-Y1388 PolarHBondContact OD1-N 3.44Å; D1386-S1389 PolarHBondContact OD1-N 2.83Å; D1386-S1389 PolarHBondContact OD2-N 2.87Å; D1386-S1389 PolarHBondContact OD2-OG 2.96Å; D1386-D1390 PolarHBondContact N-O 3.23Å; D1386-D1390 PolarHBondContact OD1-N 2.84Å | ||
| 1387 | G | 80.6 | Confident | 70.4 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 42% | 0.423 | C | S | . | . | S | Bend | trans | 84.9 | -19.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116 | H1367 A1370 C1377 G1385 D1390 | H1367-G1387 PolarHBondContact N-O 3.5Å; A1370-G1387 WeakPolarHBondContact CB-O 3.46Å; C1377-G1387 VanDerWaalsContact CB-C 3.48Å; C1377-G1387 WeakPolarHBondContact CB-O 3.26Å; G1385-G1387 VanDerWaalsContact C-N 3.31Å; G1385-G1387 PolarHBondContact O-N 2.96Å; G1387-D1390 PolarHBondContact N-O 2.74Å; G1387-D1390 VanDerWaalsContact N-O 3.08Å |
| 1388 | Y | 81.6 | Confident | 69.1 | Low | 106 Ų | 106 | 82.2 Ų | 82.2 | 42% | 0.416 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -102.5 | -49.7 | -175.8 | -59.1 | -87.4 | 0 | 0 | 0 | 112.5 | V1364 H1367 Q1376 C1377 D1386 | V1364-Y1388 HydrophobicContact CG1-CE1 4.23Å; H1367-Y1388 PolarHBondContact N-O 2.94Å; H1367-Y1388 VanDerWaalsContact N-O 3.15Å; Q1376-Y1388 VanDerWaalsContact CA-OH 3.32Å; Q1376-Y1388 WeakPolarHBondContact CA-OH 3.4Å; C1377-Y1388 HydrophobicContact CB-CD1 3.78Å; C1377-Y1388 HydrophobicContact CB-CD2 4.3Å; C1377-Y1388 HydrophobicContact CB-CE1 3.7Å; C1377-Y1388 HydrophobicContact CB-CE2 4.23Å; C1377-Y1388 HydrophobicContact CB-CG 4.08Å; C1377-Y1388 PolarHBondContact N-OH 3.32Å; C1377-Y1388 WeakPolarHBondContact SG-CD1 3.33Å; C1377-Y1388 WeakPolarHBondContact SG-CE1 3.45Å; D1386-Y1388 VanDerWaalsContact C-N 3.31Å; D1386-Y1388 VanDerWaalsContact O-CD2 3.22Å; D1386-Y1388 WeakPolarHBondContact O-CD2 3.38Å; D1386-Y1388 PolarHBondContact O-N 2.96Å; D1386-Y1388 PolarHBondContact OD1-N 3.44Å |
| 1389 | S | 79.6 | Confident | 68.3 | Low | 90 Ų | 90 | 74.5 Ų | 74.5 | 63% | 0.629 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -114.5 | -24.4 | -179.5 | 80.5 | 0 | 0 | 0 | 0 | 112.6 | H1367 D1386 | H1367-S1389 PolarHBondContact CD2-O 2.9Å; H1367-S1389 VanDerWaalsContact CD2-O 3.25Å; D1386-S1389 PolarHBondContact OD1-N 2.83Å; D1386-S1389 PolarHBondContact OD2-N 2.87Å; D1386-S1389 PolarHBondContact OD2-OG 2.96Å |
| 1390 | D | 67 | Low | 67.4 | Low | 38 Ų | 38 | 78.3 Ų | 78.3 | 20% | 0.203 | 44% | 0.438 | C | S | . | . | trans | -134.3 | 119.4 | -168.2 | -170 | 19.4 | 0 | 0 | 0 | 111.1 | C1379 G1385 D1386 G1387 R1392 | C1379-D1390 PolarHBondContact SG-O 2.92Å; G1385-D1390 CarbonylContact C-O 3.35Å; G1385-D1390 VanDerWaalsContact C-O 3.22Å; G1385-D1390 VanDerWaalsContact CA-O 3.28Å; G1385-D1390 WeakPolarHBondContact CA-O 3.42Å; D1386-D1390 PolarHBondContact N-O 3.23Å; D1386-D1390 PolarHBondContact OD1-N 2.84Å; G1387-D1390 PolarHBondContact N-O 2.74Å; G1387-D1390 VanDerWaalsContact N-O 3.08Å; D1390-R1392 VanDerWaalsContact CG-NE 3.26Å; D1390-R1392 WeakPolarHBondContact OD1-CG 3.22Å; D1390-R1392 IonicContact OD1-CZ 3.98Å; D1390-R1392 IonicContact OD1-NE 3.97Å; D1390-R1392 PolarHBondContact OD1-NE 2.9Å; D1390-R1392 IonicContact OD1-NH2 3.73Å; D1390-R1392 IonicContact OD2-CZ 3.71Å; D1390-R1392 IonicContact OD2-NE 2.72Å; D1390-R1392 PolarHBondContact OD2-NE 3.08Å; D1390-R1392 IonicContact OD2-NH2 2.69Å; D1390-R1392 PolarHBondContact OD2-NH2 2.93Å | ||
| 1391 | C | 79.6 | Confident | 66.2 | Low | 4 Ų | 4 | 87.1 Ų | 87.1 | 3% | 0.027 | 47% | 0.465 | C | S | . | . | trans | -145.3 | 108.2 | 154.4 | -58.8 | 0 | 0 | 0 | 0 | 107.4 | H1367 Y1369 C1379 Y1383 D1384 | H1367-C1391 PolarHBondContact CE1-N 2.94Å; H1367-C1391 PolarHBondContact CE1-O 2.84Å; H1367-C1391 VanDerWaalsContact CE1-O 3.23Å; H1367-C1391 VanDerWaalsContact ND1-CB 3.32Å; H1367-C1391 WeakPolarHBondContact ND1-CB 3.08Å; H1367-C1391 PolarHBondContact ND1-N 2.93Å; H1367-C1391 VanDerWaalsContact ND1-N 3.15Å; Y1369-C1391 PolarHBondContact O-SG 2.85Å; C1379-C1391 WeakPolarHBondContact CA-SG 3.38Å; C1379-C1391 HydrophobicContact CB-CB 3.78Å; C1379-C1391 WeakPolarHBondContact CB-SG 3.46Å; C1379-C1391 WeakPolarHBondContact SG-CB 3.39Å; C1379-C1391 CovalentContact SG-SG 2.04Å; C1379-C1391 PolarHBondContact SG-SG 2.72Å; Y1383-C1391 WeakPolarHBondContact CD1-O 3.39Å; D1384-C1391 CarbonylContact O-C 3.51Å; D1384-C1391 VanDerWaalsContact O-CA 3.32Å; D1384-C1391 WeakPolarHBondContact O-CA 3.28Å | ||
| 1392 | R | 72.4 | Confident | 65.7 | Low | 167 Ų | 167 | 82.5 Ų | 82.5 | 63% | 0.63 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 137.6 | -176.8 | -43.2 | -173.5 | -166.7 | -161.9 | 3.5 | 108.6 | Y1383 D1384 D1390 V1394 | Y1383-R1392 CarbonylContact C-O 3.53Å; Y1383-R1392 WeakPolarHBondContact CA-O 3.36Å; Y1383-R1392 VanDerWaalsContact CD1-C 3.49Å; D1384-R1392 PolarHBondContact N-O 2.97Å; D1384-R1392 PolarHBondContact O-N 2.92Å; D1390-R1392 VanDerWaalsContact CG-NE 3.26Å; D1390-R1392 WeakPolarHBondContact OD1-CG 3.22Å; D1390-R1392 IonicContact OD1-CZ 3.98Å; D1390-R1392 IonicContact OD1-NE 3.97Å; D1390-R1392 PolarHBondContact OD1-NE 2.9Å; D1390-R1392 IonicContact OD1-NH2 3.73Å; D1390-R1392 IonicContact OD2-CZ 3.71Å; D1390-R1392 IonicContact OD2-NE 2.72Å; D1390-R1392 PolarHBondContact OD2-NE 3.08Å; D1390-R1392 IonicContact OD2-NH2 2.69Å; D1390-R1392 PolarHBondContact OD2-NH2 2.93Å; R1392-V1394 PolarHBondContact O-N 3.31Å |
| 1393 | P | 61.5 | Low | 66.2 | Low | 66 Ų | 66 | 91.2 Ų | 91.2 | 43% | 0.429 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 135.8 | 171.6 | 24.4 | -30.8 | 0 | 0 | 0 | 108.2 | Y1383 T1395 | Y1383-P1393 VanDerWaalsContact CD1-CA 3.44Å; Y1383-P1393 HydrophobicContact CD1-CB 3.93Å; Y1383-P1393 HydrophobicContact CD1-CG 4.47Å; Y1383-P1393 HydrophobicContact CE1-CB 3.58Å; Y1383-P1393 HydrophobicContact CE1-CG 4.07Å; P1393-T1395 VanDerWaalsContact C-N 3.31Å; P1393-T1395 HydrophobicContact CB-CG2 4.34Å; P1393-T1395 HydrophobicContact CG-CG2 4.3Å; P1393-T1395 PolarHBondContact O-N 2.92Å |
| 1394 | V | 52 | Low | 66.4 | Low | 81 Ų | 81 | 89.6 Ų | 89.6 | 49% | 0.491 | 45% | 0.453 | S | S | . | . | trans | -72 | 87.4 | -176.1 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | G1382 D1384 R1392 | G1382-V1394 PolarHBondContact O-N 3.3Å; D1384-V1394 HydrophobicContact CB-CG2 4.13Å; R1392-V1394 PolarHBondContact O-N 3.31Å | ||
| 1395 | T | 50.2 | Low | 67.4 | Low | 112 Ų | 112 | 88 Ų | 88 | 69% | 0.687 | 44% | 0.443 | S | S | * | . | trans | -104.2 | 108.1 | -178.1 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | P1393 | P1393-T1395 VanDerWaalsContact C-N 3.31Å; P1393-T1395 HydrophobicContact CB-CG2 4.34Å; P1393-T1395 HydrophobicContact CG-CG2 4.3Å; P1393-T1395 PolarHBondContact O-N 2.92Å | ||
| 1396 | E | 42.4 | Very low | 67.2 | Low | 182 Ų | 182 | 92.4 Ų | 92.4 | 85% | 0.85 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 67.7 | 151 | 179.4 | -55.9 | -168.5 | 152.5 | 0 | 0 | 115.6 | K1398 | E1396-K1398 PolarHBondContact O-N 2.87Š|
| 1397 | D | 49.6 | Very low | 67.5 | Low | 95 Ų | 95 | 92.9 Ų | 92.9 | 51% | 0.508 | 47% | 0.468 | S | S | . | . | trans | -74.1 | 116 | -165.7 | -179.4 | 4.3 | 0 | 0 | 0 | 112 | C1399 S1400 | D1397-C1399 PolarHBondContact O-N 3.06Å; D1397-C1399 VanDerWaalsContact O-N 3.11Å; D1397-C1399 WeakPolarHBondContact OD1-CB 3.28Å; D1397-C1399 PolarHBondContact OD1-N 2.78Å; D1397-S1400 VanDerWaalsContact O-CB 3.23Å; D1397-S1400 WeakPolarHBondContact O-CB 3.5Å; D1397-S1400 PolarHBondContact O-N 2.81Å; D1397-S1400 PolarHBondContact O-OG 3.33Å | ||
| 1398 | K | 56.8 | Low | 67.6 | Low | 84 Ų | 84 | 93.5 Ų | 93.5 | 37% | 0.365 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -54.9 | -26.8 | 176.2 | -66 | 177 | -170.8 | 164.3 | 0 | 112.5 | D1384 E1396 S1400 D1412 | D1384-K1398 IonicContact OD2-NZ 3.85Å; D1384-K1398 PolarHBondContact OD2-NZ 3.02Å; E1396-K1398 PolarHBondContact O-N 2.87Å; K1398-S1400 PolarHBondContact O-N 2.78Å; K1398-D1412 VanDerWaalsContact CD-O 3.23Å; K1398-D1412 WeakPolarHBondContact CD-O 3.37Å; K1398-D1412 VanDerWaalsContact CD-OD1 3.25Å; K1398-D1412 WeakPolarHBondContact CD-OD1 3.11Å; K1398-D1412 WeakPolarHBondContact CE-OD1 3.4Å; K1398-D1412 VanDerWaalsContact NZ-CG 3.27Å; K1398-D1412 IonicContact NZ-OD1 3.71Å; K1398-D1412 PolarHBondContact NZ-OD1 2.89Å; K1398-D1412 IonicContact NZ-OD2 3.91Å; K1398-D1412 PolarHBondContact NZ-OD2 3.06Å |
| 1399 | C | 63.7 | Low | 67.5 | Low | 23 Ų | 23 | 94.6 Ų | 94.6 | 16% | 0.155 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -64.3 | -17.1 | 175.8 | -66.1 | 0 | 0 | 0 | 0 | 113.9 | D1397 R1401 V1402 C1410 G1413 | D1397-C1399 PolarHBondContact O-N 3.06Å; D1397-C1399 VanDerWaalsContact O-N 3.11Å; D1397-C1399 WeakPolarHBondContact OD1-CB 3.28Å; D1397-C1399 PolarHBondContact OD1-N 2.78Å; C1399-R1401 PolarHBondContact O-N 3.2Å; C1399-V1402 PolarHBondContact O-N 3.21Å; C1399-V1402 VanDerWaalsContact O-N 3.1Å; C1399-C1410 VanDerWaalsContact CA-SG 3.51Å; C1399-C1410 HydrophobicContact CB-CB 3.78Å; C1399-C1410 WeakPolarHBondContact CB-SG 3.39Å; C1399-C1410 WeakPolarHBondContact SG-CB 3.22Å; C1399-C1410 CovalentContact SG-SG 2.03Å; C1399-C1410 PolarHBondContact SG-SG 2.76Å; C1399-G1413 PolarHBondContact SG-N 2.95Å |
| 1400 | S | 64.9 | Low | 67.5 | Low | 97 Ų | 97 | 92.2 Ų | 92.2 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -60.7 | -9.2 | -178.6 | -54.3 | 0 | 0 | 0 | 0 | 115.6 | D1397 K1398 | D1397-S1400 VanDerWaalsContact O-CB 3.23Å; D1397-S1400 WeakPolarHBondContact O-CB 3.5Å; D1397-S1400 PolarHBondContact O-N 2.81Å; D1397-S1400 PolarHBondContact O-OG 3.33Å; K1398-S1400 PolarHBondContact O-N 2.78Å |
| 1401 | R | 56.6 | Low | 67.8 | Low | 241 Ų | 241 | 94.1 Ų | 94.1 | 91% | 0.909 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -127.1 | -0.6 | 175.2 | -67.2 | -171.6 | 177.2 | 112.4 | 1.8 | 114.5 | C1399 | C1399-R1401 PolarHBondContact O-N 3.2Š|
| 1402 | V | 63.2 | Low | 66.8 | Low | 48 Ų | 48 | 96.9 Ų | 96.9 | 29% | 0.291 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 130.6 | -172.8 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | C1399 Y1426 | C1399-V1402 PolarHBondContact O-N 3.21Å; C1399-V1402 VanDerWaalsContact O-N 3.1Å; V1402-Y1426 HydrophobicContact CG1-CD1 4.41Å; V1402-Y1426 HydrophobicContact CG1-CE1 3.74Å |
| 1403 | R | 74.4 | Confident | 66.4 | Low | 230 Ų | 230 | 89.5 Ų | 89.5 | 87% | 0.868 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -96.7 | 116.8 | 170.6 | -60 | -170 | -163.8 | -151.6 | 7.6 | 108.7 | ||
| 1404 | C | 82.4 | Confident | 67.2 | Low | 34 Ų | 34 | 93.2 Ų | 93.2 | 23% | 0.23 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 162.1 | 170.5 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | A1408 C1410 C1415 | C1404-A1408 HydrophobicContact CB-CB 4.13Å; C1404-C1410 WeakPolarHBondContact SG-CB 3.5Å; C1404-C1415 WeakPolarHBondContact CA-SG 3.37Å; C1404-C1415 HydrophobicContact CB-CB 3.62Å; C1404-C1415 WeakPolarHBondContact CB-SG 3.23Å; C1404-C1415 VanDerWaalsContact SG-CA 3.57Å; C1404-C1415 WeakPolarHBondContact SG-CB 3.4Å; C1404-C1415 CovalentContact SG-SG 2.03Å; C1404-C1415 PolarHBondContact SG-SG 2.99Å |
| 1405 | H | 84.2 | Confident | 68.8 | Low | 41 Ų | 41 | 89.7 Ų | 89.7 | 19% | 0.19 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 146.3 | 167.7 | -179.4 | -98.7 | 0 | 0 | 0 | 110.4 | D1407 A1408 G1425 Y1426 Y1427 | H1405-D1407 VanDerWaalsContact C-N 3.26Å; H1405-D1407 IonicContact CE1-OD2 3.05Å; H1405-D1407 PolarHBondContact CE1-OD2 2.89Å; H1405-D1407 VanDerWaalsContact CE1-OD2 3.32Å; H1405-D1407 PolarHBondContact ND1-N 2.79Å; H1405-D1407 IonicContact ND1-OD2 2.76Å; H1405-D1407 PolarHBondContact O-N 2.87Å; H1405-D1407 VanDerWaalsContact O-N 3.14Å; H1405-A1408 HydrophobicContact CB-CB 4.06Å; H1405-A1408 WeakPolarHBondContact O-CB 3.31Å; H1405-A1408 PolarHBondContact O-N 2.85Å; H1405-G1425 VanDerWaalsContact CB-O 3.27Å; H1405-G1425 WeakPolarHBondContact CB-O 3.49Å; H1405-G1425 PolarHBondContact N-O 2.91Å; H1405-Y1426 PolarHBondContact N-O 2.83Å; H1405-Y1427 PolarHBondContact CD2-O 3.36Å |
| 1406 | P | 75.8 | Confident | 70.3 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 81% | 0.812 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31 | -173.9 | -29 | 37.5 | 0 | 0 | 0 | 115.8 | ||
| 1407 | D | 78 | Confident | 72.1 | Confident | 86 Ų | 86 | 82.3 Ų | 82.3 | 46% | 0.46 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.7 | 175.7 | -64.7 | -72.3 | 0 | 0 | 0 | 113.8 | H1405 P1418 C1429 | H1405-D1407 VanDerWaalsContact C-N 3.26Å; H1405-D1407 IonicContact CE1-OD2 3.05Å; H1405-D1407 PolarHBondContact CE1-OD2 2.89Å; H1405-D1407 VanDerWaalsContact CE1-OD2 3.32Å; H1405-D1407 PolarHBondContact ND1-N 2.79Å; H1405-D1407 IonicContact ND1-OD2 2.76Å; H1405-D1407 PolarHBondContact O-N 2.87Å; H1405-D1407 VanDerWaalsContact O-N 3.14Å; D1407-P1418 WeakPolarHBondContact O-CD 3.33Å; D1407-P1418 WeakPolarHBondContact O-CG 3.32Å; D1407-C1429 HydrophobicContact CB-CB 4.15Å |
| 1408 | A | 83.4 | Confident | 73.4 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 12% | 0.116 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 138.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1404 H1405 C1415 F1416 G1425 | C1404-A1408 HydrophobicContact CB-CB 4.13Å; H1405-A1408 HydrophobicContact CB-CB 4.06Å; H1405-A1408 WeakPolarHBondContact O-CB 3.31Å; H1405-A1408 PolarHBondContact O-N 2.85Å; A1408-C1415 HydrophobicContact CB-CB 4.37Å; A1408-F1416 CarbonylContact C-O 3.38Å; A1408-F1416 WeakPolarHBondContact CA-O 3.44Å; A1408-G1425 WeakPolarHBondContact CB-O 3.46Å |
| 1409 | Q | 80.4 | Confident | 73.8 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 60% | 0.598 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 117.5 | 172.9 | -67.3 | -172.3 | -17 | 0 | 0 | 109.6 | T1411 F1416 | Q1409-T1411 PolarHBondContact O-N 2.94Å; Q1409-F1416 PolarHBondContact N-O 2.9Å; Q1409-F1416 PolarHBondContact O-N 3.13Å |
| 1410 | C | 78.8 | Confident | 73.6 | Confident | 40 Ų | 40 | 82.4 Ų | 82.4 | 27% | 0.27 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 126.7 | 165.3 | -167.6 | 0 | 0 | 0 | 0 | 109.2 | C1399 C1404 Y1414 | C1399-C1410 VanDerWaalsContact CA-SG 3.51Å; C1399-C1410 HydrophobicContact CB-CB 3.78Å; C1399-C1410 WeakPolarHBondContact CB-SG 3.39Å; C1399-C1410 WeakPolarHBondContact SG-CB 3.22Å; C1399-C1410 CovalentContact SG-SG 2.03Å; C1399-C1410 PolarHBondContact SG-SG 2.76Å; C1404-C1410 WeakPolarHBondContact SG-CB 3.5Å; C1410-Y1414 CarbonylContact C-O 3.52Å; C1410-Y1414 WeakPolarHBondContact CA-O 3.35Å |
| 1411 | T | 73.4 | Confident | 74 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 119.8 | 170.6 | -56.7 | 0 | 0 | 0 | 0 | 107.9 | Q1409 G1413 Y1414 | Q1409-T1411 PolarHBondContact O-N 2.94Å; T1411-G1413 VanDerWaalsContact C-N 3.25Å; T1411-G1413 PolarHBondContact O-N 3.05Å; T1411-Y1414 PolarHBondContact N-O 3.5Å; T1411-Y1414 PolarHBondContact O-N 2.04Å; T1411-Y1414 VanDerWaalsContact O-N 3.09Å |
| 1412 | D | 58.6 | Low | 74.4 | Confident | 63 Ų | 63 | 74.4 Ų | 74.4 | 34% | 0.337 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 44.2 | 178.2 | -157.9 | 39.9 | 0 | 0 | 0 | 113.7 | K1398 Y1414 | K1398-D1412 VanDerWaalsContact CD-O 3.23Å; K1398-D1412 WeakPolarHBondContact CD-O 3.37Å; K1398-D1412 VanDerWaalsContact CD-OD1 3.25Å; K1398-D1412 WeakPolarHBondContact CD-OD1 3.11Å; K1398-D1412 WeakPolarHBondContact CE-OD1 3.4Å; K1398-D1412 VanDerWaalsContact NZ-CG 3.27Å; K1398-D1412 IonicContact NZ-OD1 3.71Å; K1398-D1412 PolarHBondContact NZ-OD1 2.89Å; K1398-D1412 IonicContact NZ-OD2 3.91Å; K1398-D1412 PolarHBondContact NZ-OD2 3.06Å; D1412-Y1414 VanDerWaalsContact C-N 3.3Å; D1412-Y1414 WeakPolarHBondContact O-CD2 3.34Å; D1412-Y1414 PolarHBondContact O-N 3.23Å |
| 1413 | G | 64.4 | Low | 75 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 11% | 0.113 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -5.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C1399 T1411 Y1426 | C1399-G1413 PolarHBondContact SG-N 2.95Å; T1411-G1413 VanDerWaalsContact C-N 3.25Å; T1411-G1413 PolarHBondContact O-N 3.05Å; G1413-Y1426 PolarHBondContact O-OH 3.17Å |
| 1414 | Y | 77.9 | Confident | 74.9 | Confident | 144 Ų | 144 | 67.2 Ų | 67.2 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 143.4 | 175.4 | -68.1 | -90.8 | 0 | 0 | 0 | 111 | C1410 T1411 D1412 F1416 | C1410-Y1414 CarbonylContact C-O 3.52Å; C1410-Y1414 WeakPolarHBondContact CA-O 3.35Å; T1411-Y1414 PolarHBondContact N-O 3.5Å; T1411-Y1414 PolarHBondContact O-N 2.04Å; T1411-Y1414 VanDerWaalsContact O-N 3.09Å; D1412-Y1414 VanDerWaalsContact C-N 3.3Å; D1412-Y1414 WeakPolarHBondContact O-CD2 3.34Å; D1412-Y1414 PolarHBondContact O-N 3.23Å; Y1414-F1416 VanDerWaalsContact CB-CZ 3.49Å; Y1414-F1416 HydrophobicContact CG-CZ 4.4Å; Y1414-F1416 WeakPolarHBondContact O-CD2 3.31Å; Y1414-F1416 WeakPolarHBondContact O-CE2 3.26Å |
| 1415 | C | 86.5 | Confident | 74.7 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.3 | 179.9 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | C1404 A1408 G1425 Y1426 | C1404-C1415 WeakPolarHBondContact CA-SG 3.37Å; C1404-C1415 HydrophobicContact CB-CB 3.62Å; C1404-C1415 WeakPolarHBondContact CB-SG 3.23Å; C1404-C1415 VanDerWaalsContact SG-CA 3.57Å; C1404-C1415 WeakPolarHBondContact SG-CB 3.4Å; C1404-C1415 CovalentContact SG-SG 2.03Å; C1404-C1415 PolarHBondContact SG-SG 2.99Å; A1408-C1415 HydrophobicContact CB-CB 4.37Å; C1415-G1425 WeakPolarHBondContact CB-O 3.38Å; C1415-Y1426 HydrophobicContact CB-CD1 4.32Å; C1415-Y1426 HydrophobicContact CB-CD2 4.19Å; C1415-Y1426 HydrophobicContact CB-CE1 4.38Å; C1415-Y1426 HydrophobicContact CB-CE2 4.24Å; C1415-Y1426 HydrophobicContact CB-CG 4.23Å; C1415-Y1426 WeakPolarHBondContact SG-CD1 3.27Å; C1415-Y1426 WeakPolarHBondContact SG-CE1 3.35Å |
| 1416 | F | 80.2 | Confident | 74.6 | Confident | 111 Ų | 111 | 67.8 Ų | 67.8 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.4 | -177.7 | -60.2 | -77.6 | 0 | 0 | 0 | 112 | A1408 Q1409 Y1414 | A1408-F1416 CarbonylContact C-O 3.38Å; A1408-F1416 WeakPolarHBondContact CA-O 3.44Å; Q1409-F1416 PolarHBondContact N-O 2.9Å; Q1409-F1416 PolarHBondContact O-N 3.13Å; Y1414-F1416 VanDerWaalsContact CB-CZ 3.49Å; Y1414-F1416 HydrophobicContact CG-CZ 4.4Å; Y1414-F1416 WeakPolarHBondContact O-CD2 3.31Å; Y1414-F1416 WeakPolarHBondContact O-CE2 3.26Å |
| 1417 | C | 80.8 | Confident | 74.7 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 19% | 0.189 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 130.4 | 171.1 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | F1421 E1428 C1429 | C1417-F1421 HydrophobicContact CB-CB 3.93Å; C1417-F1421 WeakPolarHBondContact CB-O 3.35Å; C1417-E1428 PolarHBondContact SG-O 2.95Å; C1417-C1429 WeakPolarHBondContact CA-SG 3.25Å; C1417-C1429 HydrophobicContact CB-CB 3.82Å; C1417-C1429 WeakPolarHBondContact CB-SG 3.49Å; C1417-C1429 WeakPolarHBondContact SG-CA 3.12Å; C1417-C1429 WeakPolarHBondContact SG-CB 3.43Å; C1417-C1429 CovalentContact SG-SG 2.04Å; C1417-C1429 PolarHBondContact SG-SG 3.19Å |
| 1418 | P | 77.6 | Confident | 74.1 | Confident | 37 Ų | 37 | 71.1 Ų | 71.1 | 24% | 0.24 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 154.1 | -176.7 | 28.1 | -35.2 | 0 | 0 | 0 | 111.6 | D1407 G1420 F1421 | D1407-P1418 WeakPolarHBondContact O-CD 3.33Å; D1407-P1418 WeakPolarHBondContact O-CG 3.32Å; P1418-G1420 PolarHBondContact O-N 2.77Å; P1418-G1420 VanDerWaalsContact O-N 3.15Å; P1418-F1421 HydrophobicContact CG-CD2 4.01Å; P1418-F1421 HydrophobicContact CG-CG 4.43Å; P1418-F1421 WeakPolarHBondContact O-CB 3.11Å; P1418-F1421 PolarHBondContact O-N 3.01Å |
| 1419 | S | 64.4 | Low | 73.6 | Confident | 132 Ų | 132 | 70.9 Ų | 70.9 | 92% | 0.923 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | 119 | -175.5 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1420 | G | 58.9 | Low | 72.8 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | 7.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1418 R1431 I1432 | P1418-G1420 PolarHBondContact O-N 2.77Å; P1418-G1420 VanDerWaalsContact O-N 3.15Å; G1420-R1431 CarbonylContact O-C 3.56Å; G1420-R1431 VanDerWaalsContact O-CA 3.25Å; G1420-R1431 WeakPolarHBondContact O-CA 3.23Å; G1420-R1431 WeakPolarHBondContact O-CG 3.37Å; G1420-I1432 PolarHBondContact O-N 2.88Å |
| 1421 | F | 73.7 | Confident | 71.7 | Confident | 51 Ų | 51 | 77.3 Ų | 77.3 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.8 | 167.9 | -67.2 | -113.3 | 0 | 0 | 0 | 111.2 | C1417 P1418 C1429 K1430 R1431 | C1417-F1421 HydrophobicContact CB-CB 3.93Å; C1417-F1421 WeakPolarHBondContact CB-O 3.35Å; P1418-F1421 HydrophobicContact CG-CD2 4.01Å; P1418-F1421 HydrophobicContact CG-CG 4.43Å; P1418-F1421 WeakPolarHBondContact O-CB 3.11Å; P1418-F1421 PolarHBondContact O-N 3.01Å; F1421-C1429 HydrophobicContact CB-CB 4.29Å; F1421-C1429 HydrophobicContact CD1-CB 4.4Å; F1421-K1430 CarbonylContact C-O 3.54Å; F1421-K1430 WeakPolarHBondContact CA-O 3.27Å; F1421-K1430 WeakPolarHBondContact CB-O 3.46Å; F1421-R1431 HydrophobicContact CD1-CB 4.25Å; F1421-R1431 HydrophobicContact CE1-CB 4.2Å; F1421-R1431 HydrophobicContact CZ-CB 4.46Å |
| 1422 | E | 64.7 | Low | 70.7 | Confident | 120 Ų | 120 | 76.8 Ų | 76.8 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151.6 | 174.9 | 61.4 | -172.2 | -159.4 | 0 | 0 | 110.8 | C1429 K1430 I1432 | E1422-C1429 CarbonylContact O-C 3.54Å; E1422-C1429 WeakPolarHBondContact O-CA 3.14Å; E1422-K1430 PolarHBondContact N-O 2.85Å; E1422-K1430 PolarHBondContact O-N 2.84Å; E1422-I1432 HydrophobicContact CB-CD1 3.88Å; E1422-I1432 HydrophobicContact CB-CG1 3.74Å; E1422-I1432 HydrophobicContact CG-CD1 4.46Å; E1422-I1432 HydrophobicContact CG-CG1 3.79Å |
| 1423 | G | 77.2 | Confident | 69.9 | Low | 47 Ų | 47 | 79.8 Ų | 79.8 | 49% | 0.485 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 149.3 | -179.7 | -174 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1428 | G1423-E1428 CarbonylContact C-O 3.55Å; G1423-E1428 WeakPolarHBondContact CA-O 3.21Å |
| 1424 | D | 71.7 | Confident | 68.7 | Low | 80 Ų | 80 | 88.4 Ų | 88.4 | 43% | 0.428 | 44% | 0.443 | S | S | . | . | trans | -83.8 | -11.7 | -178.3 | 75.7 | -10.9 | 0 | 0 | 0 | 113.6 | Y1426 Y1427 E1428 | D1424-Y1426 WeakPolarHBondContact O-CD2 3.43Å; D1424-Y1426 PolarHBondContact O-N 3.38Å; D1424-Y1426 PolarHBondContact OD1-N 3.41Å; D1424-Y1426 VanDerWaalsContact OD1-N 3.07Å; D1424-Y1427 PolarHBondContact OD1-N 2.94Å; D1424-Y1427 WeakPolarHBondContact OD2-CD2 3.35Å; D1424-E1428 PolarHBondContact N-O 2.86Å; D1424-E1428 PolarHBondContact OD1-N 2.78Å | ||
| 1425 | G | 78.3 | Confident | 67 | Low | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 44% | 0.444 | C | S | . | . | S | Bend | trans | 73.2 | -24.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H1405 A1408 C1415 E1428 | H1405-G1425 VanDerWaalsContact CB-O 3.27Å; H1405-G1425 WeakPolarHBondContact CB-O 3.49Å; H1405-G1425 PolarHBondContact N-O 2.91Å; A1408-G1425 WeakPolarHBondContact CB-O 3.46Å; C1415-G1425 WeakPolarHBondContact CB-O 3.38Å; G1425-E1428 PolarHBondContact N-O 2.83Å |
| 1426 | Y | 80.9 | Confident | 65.5 | Low | 86 Ų | 86 | 95.2 Ų | 95.2 | 34% | 0.337 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -83.2 | -42 | 178.8 | -71.8 | -85.7 | 0 | 0 | 0 | 112 | V1402 H1405 G1413 C1415 D1424 | V1402-Y1426 HydrophobicContact CG1-CD1 4.41Å; V1402-Y1426 HydrophobicContact CG1-CE1 3.74Å; H1405-Y1426 PolarHBondContact N-O 2.83Å; G1413-Y1426 PolarHBondContact O-OH 3.17Å; C1415-Y1426 HydrophobicContact CB-CD1 4.32Å; C1415-Y1426 HydrophobicContact CB-CD2 4.19Å; C1415-Y1426 HydrophobicContact CB-CE1 4.38Å; C1415-Y1426 HydrophobicContact CB-CE2 4.24Å; C1415-Y1426 HydrophobicContact CB-CG 4.23Å; C1415-Y1426 WeakPolarHBondContact SG-CD1 3.27Å; C1415-Y1426 WeakPolarHBondContact SG-CE1 3.35Å; D1424-Y1426 WeakPolarHBondContact O-CD2 3.43Å; D1424-Y1426 PolarHBondContact O-N 3.38Å; D1424-Y1426 PolarHBondContact OD1-N 3.41Å; D1424-Y1426 VanDerWaalsContact OD1-N 3.07Å |
| 1427 | Y | 78.7 | Confident | 64.6 | Low | 197 Ų | 197 | 92.2 Ų | 92.2 | 77% | 0.773 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -122.6 | -18.7 | -177.1 | -59.9 | -73.8 | 0 | 0 | 0 | 113.2 | H1405 D1424 | H1405-Y1427 PolarHBondContact CD2-O 3.36Å; D1424-Y1427 PolarHBondContact OD1-N 2.94Å; D1424-Y1427 WeakPolarHBondContact OD2-CD2 3.35Å |
| 1428 | E | 64.7 | Low | 63.5 | Low | 84 Ų | 84 | 94 Ų | 94 | 39% | 0.393 | 48% | 0.483 | S | S | . | . | trans | -152 | 142.2 | -176 | -172 | 162.1 | -92.4 | 0 | 0 | 115 | C1417 G1423 D1424 G1425 K1430 | C1417-E1428 PolarHBondContact SG-O 2.95Å; G1423-E1428 CarbonylContact C-O 3.55Å; G1423-E1428 WeakPolarHBondContact CA-O 3.21Å; D1424-E1428 PolarHBondContact N-O 2.86Å; D1424-E1428 PolarHBondContact OD1-N 2.78Å; G1425-E1428 PolarHBondContact N-O 2.83Å; E1428-K1430 HydrophobicContact CG-CD 4.16Å; E1428-K1430 HydrophobicContact CG-CG 4.1Å; E1428-K1430 WeakPolarHBondContact OE1-CE 3.37Å; E1428-K1430 IonicContact OE1-NZ 3.37Å; E1428-K1430 PolarHBondContact OE1-NZ 2.79Å; E1428-K1430 WeakPolarHBondContact OE2-CD 3.49Å; E1428-K1430 VanDerWaalsContact OE2-CE 3.24Å; E1428-K1430 WeakPolarHBondContact OE2-CE 3.38Å; E1428-K1430 IonicContact OE2-NZ 2.7Å; E1428-K1430 PolarHBondContact OE2-NZ 2.8Å | ||
| 1429 | C | 74.9 | Confident | 62.5 | Low | 9 Ų | 9 | 99.7 Ų | 99.7 | 6% | 0.061 | 51% | 0.512 | C | S | . | . | trans | -145.2 | 127.9 | 160.1 | -69.7 | 0 | 0 | 0 | 0 | 111.1 | D1407 C1417 F1421 E1422 | D1407-C1429 HydrophobicContact CB-CB 4.15Å; C1417-C1429 WeakPolarHBondContact CA-SG 3.25Å; C1417-C1429 HydrophobicContact CB-CB 3.82Å; C1417-C1429 WeakPolarHBondContact CB-SG 3.49Å; C1417-C1429 WeakPolarHBondContact SG-CA 3.12Å; C1417-C1429 WeakPolarHBondContact SG-CB 3.43Å; C1417-C1429 CovalentContact SG-SG 2.04Å; C1417-C1429 PolarHBondContact SG-SG 3.19Å; F1421-C1429 HydrophobicContact CB-CB 4.29Å; F1421-C1429 HydrophobicContact CD1-CB 4.4Å; E1422-C1429 CarbonylContact O-C 3.54Å; E1422-C1429 WeakPolarHBondContact O-CA 3.14Å | ||
| 1430 | K | 61.9 | Low | 62.4 | Low | 115 Ų | 115 | 95.6 Ų | 95.6 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.6 | -175.7 | -72.5 | 169.8 | 174.5 | 154.3 | 0 | 111.8 | F1421 E1422 E1428 I1432 | F1421-K1430 CarbonylContact C-O 3.54Å; F1421-K1430 WeakPolarHBondContact CA-O 3.27Å; F1421-K1430 WeakPolarHBondContact CB-O 3.46Å; E1422-K1430 PolarHBondContact N-O 2.85Å; E1422-K1430 PolarHBondContact O-N 2.84Å; E1428-K1430 HydrophobicContact CG-CD 4.16Å; E1428-K1430 HydrophobicContact CG-CG 4.1Å; E1428-K1430 WeakPolarHBondContact OE1-CE 3.37Å; E1428-K1430 IonicContact OE1-NZ 3.37Å; E1428-K1430 PolarHBondContact OE1-NZ 2.79Å; E1428-K1430 WeakPolarHBondContact OE2-CD 3.49Å; E1428-K1430 VanDerWaalsContact OE2-CE 3.24Å; E1428-K1430 WeakPolarHBondContact OE2-CE 3.38Å; E1428-K1430 IonicContact OE2-NZ 2.7Å; E1428-K1430 PolarHBondContact OE2-NZ 2.8Å; K1430-I1432 PolarHBondContact O-N 2.71Å |
| 1431 | R | 55.4 | Low | 63.2 | Low | 188 Ų | 188 | 104.7 Ų | 104.7 | 71% | 0.709 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124.5 | -168.7 | -167.8 | -178.2 | -72.5 | -170.7 | -1 | 114.1 | G1420 F1421 | G1420-R1431 CarbonylContact O-C 3.56Å; G1420-R1431 VanDerWaalsContact O-CA 3.25Å; G1420-R1431 WeakPolarHBondContact O-CA 3.23Å; G1420-R1431 WeakPolarHBondContact O-CG 3.37Å; F1421-R1431 HydrophobicContact CD1-CB 4.25Å; F1421-R1431 HydrophobicContact CE1-CB 4.2Å; F1421-R1431 HydrophobicContact CZ-CB 4.46Å |
| 1432 | I | 53.6 | Low | 63.8 | Low | 68 Ų | 68 | 104 Ų | 104 | 35% | 0.349 | 51% | 0.506 | S | S | . | . | trans | -77.7 | 132.1 | 176.8 | -47.2 | 173.2 | 0 | 0 | 0 | 110.6 | G1420 E1422 K1430 | G1420-I1432 PolarHBondContact O-N 2.88Å; E1422-I1432 HydrophobicContact CB-CD1 3.88Å; E1422-I1432 HydrophobicContact CB-CG1 3.74Å; E1422-I1432 HydrophobicContact CG-CD1 4.46Å; E1422-I1432 HydrophobicContact CG-CG1 3.79Å; K1430-I1432 PolarHBondContact O-N 2.71Å | ||
| 1433 | T | 42.5 | Very low | 64.8 | Low | 125 Ų | 125 | 100.4 Ų | 100.4 | 77% | 0.767 | 49% | 0.489 | S | S | * | . | trans | -125.1 | 119.8 | 174.3 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1434 | Q | 38.9 | Very low | 65.1 | Low | 193 Ų | 193 | 106.3 Ų | 106.3 | 90% | 0.902 | 50% | 0.504 | S | S | * | . | trans | -102.8 | 91 | -178.2 | -70.3 | -176.4 | -32.2 | 0 | 0 | 113.4 | ||||
| 1435 | D | 42.6 | Very low | 65.7 | Low | 112 Ų | 112 | 105.1 Ų | 105.1 | 60% | 0.599 | 50% | 0.498 | S | S | * | . | trans | -168.7 | 122.7 | 141.1 | -174.2 | -33.1 | 0 | 0 | 0 | 107.7 | C1437 A1438 | D1435-C1437 PolarHBondContact OD1-N 3.25Å; D1435-A1438 HydrophobicContact CB-CB 3.74Å; D1435-A1438 PolarHBondContact OD1-N 2.04Å | ||
| 1436 | R | 54.2 | Low | 66.1 | Low | 181 Ų | 181 | 105.6 Ų | 105.6 | 68% | 0.683 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -88.5 | -20.7 | -175.2 | -75.1 | -174.1 | 174 | 179.5 | -2.5 | 115.2 | V1440 | R1436-V1440 WeakPolarHBondContact O-CG2 3.1Š|
| 1437 | C | 62.1 | Low | 66 | Low | 49 Ų | 49 | 107.3 Ų | 107.3 | 33% | 0.331 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -99.8 | -13.4 | 174.5 | -79.6 | 0 | 0 | 0 | 0 | 112.7 | D1435 N1439 V1440 C1448 G1451 | D1435-C1437 PolarHBondContact OD1-N 3.25Å; C1437-N1439 PolarHBondContact O-N 3.37Å; C1437-V1440 PolarHBondContact O-N 3.29Å; C1437-C1448 HydrophobicContact CB-CB 4.18Å; C1437-C1448 WeakPolarHBondContact CB-SG 3.38Å; C1437-C1448 WeakPolarHBondContact SG-CB 3.24Å; C1437-C1448 CovalentContact SG-SG 2.06Å; C1437-C1448 PolarHBondContact SG-SG 2.66Å; C1437-G1451 PolarHBondContact SG-N 2.72Å; C1437-G1451 VanDerWaalsContact SG-N 3.43Å |
| 1438 | A | 57.4 | Low | 66.1 | Low | 64 Ų | 64 | 99.4 Ų | 99.4 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -32 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | D1435 | D1435-A1438 HydrophobicContact CB-CB 3.74Å; D1435-A1438 PolarHBondContact OD1-N 2.04Å |
| 1439 | N | 55.5 | Low | 66.4 | Low | 158 Ų | 158 | 98.2 Ų | 98.2 | 85% | 0.845 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 3.1 | 178.1 | -67.8 | -49 | 0 | 0 | 0 | 113.9 | C1437 R1441 | C1437-N1439 PolarHBondContact O-N 3.37Å; N1439-R1441 PolarHBondContact O-N 3.36Å |
| 1440 | V | 63.7 | Low | 65.9 | Low | 46 Ų | 46 | 103.3 Ų | 103.3 | 28% | 0.279 | 51% | 0.507 | S | S | . | . | trans | -83.4 | 104.5 | -173.6 | 177 | 0 | 0 | 0 | 0 | 110.3 | R1436 C1437 C1453 Y1464 | R1436-V1440 WeakPolarHBondContact O-CG2 3.1Å; C1437-V1440 PolarHBondContact O-N 3.29Å; V1440-C1453 VanDerWaalsContact CG1-SG 3.5Å; V1440-Y1464 HydrophobicContact CG1-CE1 4.22Å | ||
| 1441 | R | 75.1 | Confident | 66.1 | Low | 226 Ų | 226 | 98.5 Ų | 98.5 | 85% | 0.853 | 49% | 0.49 | S | S | * | . | trans | -87.9 | 112.9 | 170.8 | -76.5 | -177.6 | 163.2 | -163.1 | -5.3 | 110.1 | N1439 | N1439-R1441 PolarHBondContact O-N 3.36Š| ||
| 1442 | C | 85.4 | Confident | 67.3 | Low | 36 Ų | 36 | 97.3 Ų | 97.3 | 24% | 0.243 | 49% | 0.487 | C | S | . | . | trans | -88.7 | 160.6 | 170.8 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | A1446 C1448 C1453 | C1442-A1446 HydrophobicContact CB-CB 3.97Å; C1442-C1448 PolarHBondContact SG-N 3.44Å; C1442-C1448 VanDerWaalsContact SG-N 3.39Å; C1442-C1453 WeakPolarHBondContact CA-SG 3.44Å; C1442-C1453 HydrophobicContact CB-CB 3.61Å; C1442-C1453 WeakPolarHBondContact CB-SG 3.25Å; C1442-C1453 WeakPolarHBondContact SG-CB 3.47Å; C1442-C1453 CovalentContact SG-SG 2.03Å; C1442-C1453 PolarHBondContact SG-SG 2.82Å | ||
| 1443 | H | 86.8 | Confident | 68.9 | Low | 45 Ų | 45 | 94.5 Ų | 94.5 | 21% | 0.208 | 47% | 0.473 | C | S | . | . | trans | -56.4 | 153.3 | 169 | 179.1 | -119.7 | 0 | 0 | 0 | 111.3 | N1445 A1446 G1463 Y1464 S1465 C1467 | H1443-N1445 PolarHBondContact ND1-N 3.03Å; H1443-N1445 PolarHBondContact O-N 3.21Å; H1443-N1445 VanDerWaalsContact O-N 3.09Å; H1443-A1446 HydrophobicContact CB-CB 4.16Å; H1443-A1446 WeakPolarHBondContact O-CB 3.3Å; H1443-A1446 PolarHBondContact O-N 2.85Å; H1443-G1463 WeakPolarHBondContact CB-O 2.78Å; H1443-G1463 PolarHBondContact N-O 3.38Å; H1443-Y1464 PolarHBondContact N-O 3.21Å; H1443-S1465 PolarHBondContact CD2-O 3.33Å; H1443-C1467 PolarHBondContact CE1-N 3.07Å; H1443-C1467 PolarHBondContact ND1-N 3.33Å; H1443-C1467 PolarHBondContact ND1-SG 2.79Å | ||
| 1444 | E | 82.1 | Confident | 70.8 | Confident | 171 Ų | 171 | 96.2 Ų | 96.2 | 80% | 0.799 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -33.7 | -176.1 | -61 | -173.1 | -165.1 | 0 | 0 | 112.9 | K1456 | E1444-K1456 PolarHBondContact O-NZ 2.85Š|
| 1445 | N | 84.3 | Confident | 73 | Confident | 54 Ų | 54 | 88.6 Ų | 88.6 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 24.5 | 177 | -70.1 | -31.9 | 0 | 0 | 0 | 113.7 | H1443 C1455 K1456 C1467 | H1443-N1445 PolarHBondContact ND1-N 3.03Å; H1443-N1445 PolarHBondContact O-N 3.21Å; H1443-N1445 VanDerWaalsContact O-N 3.09Å; N1445-C1455 WeakPolarHBondContact O-CA 3.4Å; N1445-K1456 WeakPolarHBondContact O-CB 3.42Å; N1445-K1456 VanDerWaalsContact O-CG 3.29Å; N1445-K1456 WeakPolarHBondContact O-CG 3.05Å; N1445-K1456 PolarHBondContact O-N 2.84Å; N1445-C1467 HydrophobicContact CB-CB 3.84Å |
| 1446 | A | 86.6 | Confident | 74.9 | Confident | 10 Ų | 10 | 88 Ų | 88 | 8% | 0.083 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 179.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | C1442 H1443 R1454 K1456 G1463 | C1442-A1446 HydrophobicContact CB-CB 3.97Å; H1443-A1446 HydrophobicContact CB-CB 4.16Å; H1443-A1446 WeakPolarHBondContact O-CB 3.3Å; H1443-A1446 PolarHBondContact O-N 2.85Å; A1446-R1454 CarbonylContact C-O 3.49Å; A1446-R1454 WeakPolarHBondContact CA-O 3.49Å; A1446-R1454 VanDerWaalsContact CB-O 3.25Å; A1446-R1454 WeakPolarHBondContact CB-O 3.07Å; A1446-K1456 WeakPolarHBondContact O-CE 3.25Å; A1446-G1463 WeakPolarHBondContact CB-O 3.41Å |
| 1447 | K | 78.8 | Confident | 75.9 | Confident | 122 Ų | 122 | 88 Ų | 88 | 53% | 0.53 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 137.1 | -176.7 | -178.7 | -149.7 | 167.9 | -152.7 | 0 | 110.8 | D1449 C1453 R1454 | K1447-D1449 IonicContact NZ-OD1 3.09Å; K1447-D1449 PolarHBondContact NZ-OD1 2.95Å; K1447-C1453 WeakPolarHBondContact O-CA 3.24Å; K1447-R1454 PolarHBondContact N-O 2.84Å; K1447-R1454 PolarHBondContact O-N 2.85Å |
| 1448 | C | 82.3 | Confident | 75.6 | Confident | 32 Ų | 32 | 91.5 Ų | 91.5 | 22% | 0.216 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 133.9 | 170 | -161.6 | 0 | 0 | 0 | 0 | 110.8 | C1437 C1442 Y1452 | C1437-C1448 HydrophobicContact CB-CB 4.18Å; C1437-C1448 WeakPolarHBondContact CB-SG 3.38Å; C1437-C1448 WeakPolarHBondContact SG-CB 3.24Å; C1437-C1448 CovalentContact SG-SG 2.06Å; C1437-C1448 PolarHBondContact SG-SG 2.66Å; C1442-C1448 PolarHBondContact SG-N 3.44Å; C1442-C1448 VanDerWaalsContact SG-N 3.39Å; C1448-Y1452 CarbonylContact C-O 3.53Å; C1448-Y1452 WeakPolarHBondContact CA-O 3.29Å |
| 1449 | D | 70.2 | Confident | 76.7 | Confident | 58 Ų | 58 | 91.2 Ų | 91.2 | 31% | 0.31 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 107.1 | -177.8 | -142.7 | 41.8 | 0 | 0 | 0 | 107 | K1447 G1451 Y1452 R1454 | K1447-D1449 IonicContact NZ-OD1 3.09Å; K1447-D1449 PolarHBondContact NZ-OD1 2.95Å; D1449-G1451 VanDerWaalsContact C-N 3.27Å; D1449-G1451 PolarHBondContact O-N 2.85Å; D1449-Y1452 PolarHBondContact N-O 2.63Å; D1449-Y1452 PolarHBondContact O-N 3.28Å; D1449-R1454 IonicContact OD2-CZ 3.71Å; D1449-R1454 IonicContact OD2-NH1 3.94Å; D1449-R1454 PolarHBondContact OD2-NH1 2.93Å |
| 1450 | D | 63.9 | Low | 77.4 | Confident | 116 Ų | 116 | 88.2 Ų | 88.2 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 43.4 | -169.9 | -162.9 | 27.1 | 0 | 0 | 0 | 115.5 | ||
| 1451 | G | 66.8 | Low | 78.2 | Confident | 14 Ų | 14 | 88.2 Ų | 88.2 | 14% | 0.144 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -7.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C1437 D1449 | C1437-G1451 PolarHBondContact SG-N 2.72Å; C1437-G1451 VanDerWaalsContact SG-N 3.43Å; D1449-G1451 VanDerWaalsContact C-N 3.27Å; D1449-G1451 PolarHBondContact O-N 2.85Å |
| 1452 | Y | 79.7 | Confident | 78.3 | Confident | 163 Ų | 163 | 81.1 Ų | 81.1 | 64% | 0.639 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 142.3 | 179.9 | -67.3 | -84 | 0 | 0 | 0 | 112.8 | C1448 D1449 Y1464 | C1448-Y1452 CarbonylContact C-O 3.53Å; C1448-Y1452 WeakPolarHBondContact CA-O 3.29Å; D1449-Y1452 PolarHBondContact N-O 2.63Å; D1449-Y1452 PolarHBondContact O-N 3.28Å; Y1452-Y1464 WeakPolarHBondContact CA-OH 3.45Å |
| 1453 | C | 87.4 | Confident | 78.1 | Confident | 10 Ų | 10 | 79.4 Ų | 79.4 | 7% | 0.068 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.1 | 179.2 | -63.1 | 0 | 0 | 0 | 0 | 112 | V1440 C1442 K1447 G1463 Y1464 | V1440-C1453 VanDerWaalsContact CG1-SG 3.5Å; C1442-C1453 WeakPolarHBondContact CA-SG 3.44Å; C1442-C1453 HydrophobicContact CB-CB 3.61Å; C1442-C1453 WeakPolarHBondContact CB-SG 3.25Å; C1442-C1453 WeakPolarHBondContact SG-CB 3.47Å; C1442-C1453 CovalentContact SG-SG 2.03Å; C1442-C1453 PolarHBondContact SG-SG 2.82Å; K1447-C1453 WeakPolarHBondContact O-CA 3.24Å; C1453-G1463 WeakPolarHBondContact CB-O 3.35Å; C1453-Y1464 HydrophobicContact CB-CD1 4.05Å; C1453-Y1464 HydrophobicContact CB-CD2 3.96Å; C1453-Y1464 HydrophobicContact CB-CE1 3.87Å; C1453-Y1464 HydrophobicContact CB-CE2 3.75Å; C1453-Y1464 HydrophobicContact CB-CG 4.1Å; C1453-Y1464 PolarHBondContact N-OH 2.95Å; C1453-Y1464 WeakPolarHBondContact SG-CE1 3.21Å |
| 1454 | R | 82.3 | Confident | 77.9 | Confident | 160 Ų | 160 | 82.2 Ų | 82.2 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.8 | 177.7 | -69.7 | 174.6 | 165.2 | 165.4 | -8.7 | 110.9 | A1446 K1447 D1449 | A1446-R1454 CarbonylContact C-O 3.49Å; A1446-R1454 WeakPolarHBondContact CA-O 3.49Å; A1446-R1454 VanDerWaalsContact CB-O 3.25Å; A1446-R1454 WeakPolarHBondContact CB-O 3.07Å; K1447-R1454 PolarHBondContact N-O 2.84Å; K1447-R1454 PolarHBondContact O-N 2.85Å; D1449-R1454 IonicContact OD2-CZ 3.71Å; D1449-R1454 IonicContact OD2-NH1 3.94Å; D1449-R1454 PolarHBondContact OD2-NH1 2.93Å |
| 1455 | C | 86.5 | Confident | 77.7 | Confident | 34 Ų | 34 | 78.3 Ų | 78.3 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 149.3 | 172.5 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | N1445 C1467 | N1445-C1455 WeakPolarHBondContact O-CA 3.4Å; C1455-C1467 VanDerWaalsContact CA-SG 3.58Å; C1455-C1467 HydrophobicContact CB-CB 3.9Å; C1455-C1467 WeakPolarHBondContact CB-SG 3.26Å; C1455-C1467 WeakPolarHBondContact SG-CB 3.35Å; C1455-C1467 CovalentContact SG-SG 2.04Å; C1455-C1467 PolarHBondContact SG-SG 2.84Å |
| 1456 | K | 82.4 | Confident | 77.1 | Confident | 98 Ų | 98 | 79 Ų | 79 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 158 | 174.9 | -64.3 | 163.8 | -163 | 169.1 | 0 | 110.3 | E1444 N1445 A1446 F1459 | E1444-K1456 PolarHBondContact O-NZ 2.85Å; N1445-K1456 WeakPolarHBondContact O-CB 3.42Å; N1445-K1456 VanDerWaalsContact O-CG 3.29Å; N1445-K1456 WeakPolarHBondContact O-CG 3.05Å; N1445-K1456 PolarHBondContact O-N 2.84Å; A1446-K1456 WeakPolarHBondContact O-CE 3.25Å; K1456-F1459 PolarHBondContact O-N 2.82Å; K1456-F1459 VanDerWaalsContact O-N 3.14Å |
| 1457 | E | 74.7 | Confident | 76.9 | Confident | 183 Ų | 183 | 79 Ų | 79 | 86% | 0.855 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 154.9 | 175.8 | -62.9 | -179.1 | 147.6 | 0 | 0 | 112 | F1459 | E1457-F1459 WeakPolarHBondContact O-CD2 3.3Å; E1457-F1459 PolarHBondContact O-N 2.93Å |
| 1458 | D | 56.2 | Low | 76.5 | Confident | 121 Ų | 121 | 80.6 Ų | 80.6 | 65% | 0.647 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | -5.6 | -161.7 | -58 | -18.8 | 0 | 0 | 0 | 116.4 | ||
| 1459 | F | 81.2 | Confident | 75.3 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 25% | 0.254 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 152.8 | 178.9 | -56.5 | -101.2 | 0 | 0 | 0 | 114.7 | K1456 E1457 C1467 R1468 R1469 | K1456-F1459 PolarHBondContact O-N 2.82Å; K1456-F1459 VanDerWaalsContact O-N 3.14Å; E1457-F1459 WeakPolarHBondContact O-CD2 3.3Å; E1457-F1459 PolarHBondContact O-N 2.93Å; F1459-C1467 HydrophobicContact CB-CB 3.79Å; F1459-C1467 HydrophobicContact CD1-CB 4.44Å; F1459-C1467 WeakPolarHBondContact CD1-O 3.2Å; F1459-C1467 HydrophobicContact CG-CB 4.38Å; F1459-R1468 CarbonylContact C-O 3.49Å; F1459-R1468 WeakPolarHBondContact CA-O 3.43Å; F1459-R1469 HydrophobicContact CD1-CG 3.93Å; F1459-R1469 HydrophobicContact CE1-CG 3.79Å; F1459-R1469 HydrophobicContact CZ-CG 4.28Å |
| 1460 | E | 70 | Confident | 74.6 | Confident | 95 Ų | 95 | 91.6 Ų | 91.6 | 44% | 0.444 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146.8 | 173.3 | 67.5 | -169.7 | 152.7 | 0 | 0 | 111.5 | C1467 R1468 K1470 | E1460-C1467 CarbonylContact O-C 3.47Å; E1460-C1467 WeakPolarHBondContact O-CA 3.4Å; E1460-R1468 PolarHBondContact N-O 2.89Å; E1460-R1468 PolarHBondContact O-N 3.44Å; E1460-K1470 HydrophobicContact CG-CG 4.32Å; E1460-K1470 WeakPolarHBondContact OE1-CG 3.34Å; E1460-K1470 WeakPolarHBondContact OE2-CE 3.42Å; E1460-K1470 IonicContact OE2-NZ 3.96Å |
| 1461 | G | 80.3 | Confident | 73.8 | Confident | 46 Ų | 46 | 92 Ų | 92 | 47% | 0.474 | 45% | 0.446 | S | S | . | . | S | Bend | trans | 156.1 | -170.4 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1466 | G1461-E1466 CarbonylContact C-O 3.52Å; G1461-E1466 WeakPolarHBondContact CA-O 3.3Å |
| 1462 | D | 75.7 | Confident | 72.8 | Confident | 77 Ų | 77 | 100.2 Ų | 100.2 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | trans | -76.4 | -20.6 | -175.3 | 73.3 | -8.5 | 0 | 0 | 0 | 113.9 | Y1464 S1465 E1466 | D1462-Y1464 VanDerWaalsContact C-N 3.26Å; D1462-Y1464 WeakPolarHBondContact O-CD2 3.3Å; D1462-Y1464 PolarHBondContact O-N 3.27Å; D1462-Y1464 PolarHBondContact OD1-N 2.79Å; D1462-S1465 VanDerWaalsContact CG-N 3.34Å; D1462-S1465 PolarHBondContact OD1-N 2.95Å; D1462-S1465 WeakPolarHBondContact OD2-CB 3.4Å; D1462-S1465 PolarHBondContact OD2-N 2.97Å; D1462-S1465 PolarHBondContact OD2-OG 3.47Å; D1462-E1466 PolarHBondContact N-O 2.8Å; D1462-E1466 VanDerWaalsContact N-O 3.11Å; D1462-E1466 PolarHBondContact OD1-N 3.04Å; D1462-E1466 VanDerWaalsContact OD1-O 3.1Å | ||
| 1463 | G | 82.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 97.7 Ų | 97.7 | 0% | 0 | 48% | 0.478 | C | S | . | . | S | Bend | trans | 79.4 | -7.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | H1443 A1446 C1453 E1466 | H1443-G1463 WeakPolarHBondContact CB-O 2.78Å; H1443-G1463 PolarHBondContact N-O 3.38Å; A1446-G1463 WeakPolarHBondContact CB-O 3.41Å; C1453-G1463 WeakPolarHBondContact CB-O 3.35Å; G1463-E1466 PolarHBondContact N-O 2.89Å |
| 1464 | Y | 81.1 | Confident | 69.8 | Low | 105 Ų | 105 | 102 Ų | 102 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -109.7 | -45.9 | -177.6 | -71 | -89.3 | 0 | 0 | 0 | 112.5 | V1440 H1443 Y1452 C1453 D1462 | V1440-Y1464 HydrophobicContact CG1-CE1 4.22Å; H1443-Y1464 PolarHBondContact N-O 3.21Å; Y1452-Y1464 WeakPolarHBondContact CA-OH 3.45Å; C1453-Y1464 HydrophobicContact CB-CD1 4.05Å; C1453-Y1464 HydrophobicContact CB-CD2 3.96Å; C1453-Y1464 HydrophobicContact CB-CE1 3.87Å; C1453-Y1464 HydrophobicContact CB-CE2 3.75Å; C1453-Y1464 HydrophobicContact CB-CG 4.1Å; C1453-Y1464 PolarHBondContact N-OH 2.95Å; C1453-Y1464 WeakPolarHBondContact SG-CE1 3.21Å; D1462-Y1464 VanDerWaalsContact C-N 3.26Å; D1462-Y1464 WeakPolarHBondContact O-CD2 3.3Å; D1462-Y1464 PolarHBondContact O-N 3.27Å; D1462-Y1464 PolarHBondContact OD1-N 2.79Å |
| 1465 | S | 78 | Confident | 69.1 | Low | 89 Ų | 89 | 97.2 Ų | 97.2 | 62% | 0.622 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -115.4 | -25.3 | 179.2 | 71.6 | 0 | 0 | 0 | 0 | 113.6 | H1443 D1462 | H1443-S1465 PolarHBondContact CD2-O 3.33Å; D1462-S1465 VanDerWaalsContact CG-N 3.34Å; D1462-S1465 PolarHBondContact OD1-N 2.95Å; D1462-S1465 WeakPolarHBondContact OD2-CB 3.4Å; D1462-S1465 PolarHBondContact OD2-N 2.97Å; D1462-S1465 PolarHBondContact OD2-OG 3.47Å |
| 1466 | E | 72.1 | Confident | 67.9 | Low | 69 Ų | 69 | 99.1 Ų | 99.1 | 32% | 0.322 | 51% | 0.514 | S | S | . | . | trans | -146.6 | 138.8 | -170 | -169.2 | 179.5 | -115.3 | 0 | 0 | 113.4 | G1461 D1462 G1463 R1468 | G1461-E1466 CarbonylContact C-O 3.52Å; G1461-E1466 WeakPolarHBondContact CA-O 3.3Å; D1462-E1466 PolarHBondContact N-O 2.8Å; D1462-E1466 VanDerWaalsContact N-O 3.11Å; D1462-E1466 PolarHBondContact OD1-N 3.04Å; D1462-E1466 VanDerWaalsContact OD1-O 3.1Å; G1463-E1466 PolarHBondContact N-O 2.89Å; E1466-R1468 VanDerWaalsContact CD-NH2 3.31Å; E1466-R1468 HydrophobicContact CG-CG 3.85Å; E1466-R1468 WeakPolarHBondContact OE1-CD 3.35Å; E1466-R1468 IonicContact OE1-CZ 2.89Å; E1466-R1468 IonicContact OE1-NE 3.33Å; E1466-R1468 PolarHBondContact OE1-NE 3.13Å; E1466-R1468 IonicContact OE1-NH1 2.69Å; E1466-R1468 IonicContact OE1-NH2 3.63Å; E1466-R1468 PolarHBondContact OE1-NH2 2.7Å; E1466-R1468 IonicContact OE2-CZ 3.9Å; E1466-R1468 IonicContact OE2-NE 3.8Å; E1466-R1468 PolarHBondContact OE2-NE 2.87Å; E1466-R1468 IonicContact OE2-NH2 3.85Å; E1466-R1468 PolarHBondContact OE2-NH2 3.37Å | ||
| 1467 | C | 82.1 | Confident | 66.8 | Low | 9 Ų | 9 | 105.9 Ų | 105.9 | 6% | 0.061 | 54% | 0.537 | C | S | . | . | trans | -147.2 | 120.4 | 159.2 | -56.7 | 0 | 0 | 0 | 0 | 108.8 | H1443 N1445 C1455 F1459 E1460 | H1443-C1467 PolarHBondContact CE1-N 3.07Å; H1443-C1467 PolarHBondContact ND1-N 3.33Å; H1443-C1467 PolarHBondContact ND1-SG 2.79Å; N1445-C1467 HydrophobicContact CB-CB 3.84Å; C1455-C1467 VanDerWaalsContact CA-SG 3.58Å; C1455-C1467 HydrophobicContact CB-CB 3.9Å; C1455-C1467 WeakPolarHBondContact CB-SG 3.26Å; C1455-C1467 WeakPolarHBondContact SG-CB 3.35Å; C1455-C1467 CovalentContact SG-SG 2.04Å; C1455-C1467 PolarHBondContact SG-SG 2.84Å; F1459-C1467 HydrophobicContact CB-CB 3.79Å; F1459-C1467 HydrophobicContact CD1-CB 4.44Å; F1459-C1467 WeakPolarHBondContact CD1-O 3.2Å; F1459-C1467 HydrophobicContact CG-CB 4.38Å; E1460-C1467 CarbonylContact O-C 3.47Å; E1460-C1467 WeakPolarHBondContact O-CA 3.4Å | ||
| 1468 | R | 71.2 | Confident | 66.5 | Low | 156 Ų | 156 | 100.4 Ų | 100.4 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 162 | -175.3 | -65.6 | -175.4 | -76.5 | -171 | -16.3 | 111.7 | F1459 E1460 E1466 | F1459-R1468 CarbonylContact C-O 3.49Å; F1459-R1468 WeakPolarHBondContact CA-O 3.43Å; E1460-R1468 PolarHBondContact N-O 2.89Å; E1460-R1468 PolarHBondContact O-N 3.44Å; E1466-R1468 VanDerWaalsContact CD-NH2 3.31Å; E1466-R1468 HydrophobicContact CG-CG 3.85Å; E1466-R1468 WeakPolarHBondContact OE1-CD 3.35Å; E1466-R1468 IonicContact OE1-CZ 2.89Å; E1466-R1468 IonicContact OE1-NE 3.33Å; E1466-R1468 PolarHBondContact OE1-NE 3.13Å; E1466-R1468 IonicContact OE1-NH1 2.69Å; E1466-R1468 IonicContact OE1-NH2 3.63Å; E1466-R1468 PolarHBondContact OE1-NH2 2.7Å; E1466-R1468 IonicContact OE2-CZ 3.9Å; E1466-R1468 IonicContact OE2-NE 3.8Å; E1466-R1468 PolarHBondContact OE2-NE 2.87Å; E1466-R1468 IonicContact OE2-NH2 3.85Å; E1466-R1468 PolarHBondContact OE2-NH2 3.37Å |
| 1469 | R | 57.8 | Low | 67.3 | Low | 177 Ų | 177 | 105.1 Ų | 105.1 | 67% | 0.668 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 144.2 | -176.7 | -78 | -173.7 | 164.1 | -166.4 | -9.7 | 113.9 | F1459 | F1459-R1469 HydrophobicContact CD1-CG 3.93Å; F1459-R1469 HydrophobicContact CE1-CG 3.79Å; F1459-R1469 HydrophobicContact CZ-CG 4.28Å |
| 1470 | K | 54.2 | Low | 67.5 | Low | 144 Ų | 144 | 104.3 Ų | 104.3 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | trans | -73.4 | 164.1 | 174.4 | -77 | 177.8 | 172.2 | -179.2 | 0 | 114.1 | E1460 | E1460-K1470 HydrophobicContact CG-CG 4.32Å; E1460-K1470 WeakPolarHBondContact OE1-CG 3.34Å; E1460-K1470 WeakPolarHBondContact OE2-CE 3.42Å; E1460-K1470 IonicContact OE2-NZ 3.96Å | ||
| 1471 | S | 47 | Very low | 68.3 | Low | 123 Ų | 123 | 101.5 Ų | 101.5 | 86% | 0.86 | 51% | 0.51 | S | S | * | . | trans | -150.9 | 151.4 | -178.8 | -162.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1472 | E | 47.1 | Very low | 68.1 | Low | 187 Ų | 187 | 104.2 Ų | 104.2 | 87% | 0.874 | 52% | 0.519 | S | S | * | . | trans | -134.7 | 15.5 | -152.1 | -64 | -171.4 | 134.4 | 0 | 0 | 118.7 | ||||
| 1473 | D | 48.6 | Very low | 68.5 | Low | 110 Ų | 110 | 103.6 Ų | 103.6 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | trans | -120.2 | 110.3 | 174.8 | -173.3 | -13.1 | 0 | 0 | 0 | 113.4 | C1475 A1476 | D1473-C1475 PolarHBondContact OD1-N 3.3Å; D1473-A1476 HydrophobicContact CB-CB 4.48Å | ||
| 1474 | P | 54.1 | Low | 68.6 | Low | 102 Ų | 102 | 104.1 Ų | 104.1 | 66% | 0.662 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -72.7 | -26.5 | 177.8 | -19.4 | 32.9 | 0 | 0 | 0 | 115.8 | ||
| 1475 | C | 69.1 | Low | 68.4 | Low | 59 Ų | 59 | 104.4 Ų | 104.4 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -84.6 | -13.9 | -170.3 | -74.6 | 0 | 0 | 0 | 0 | 113.4 | D1473 R1477 I1478 | D1473-C1475 PolarHBondContact OD1-N 3.3Å; C1475-R1477 PolarHBondContact O-N 3Å; C1475-I1478 PolarHBondContact O-N 3.02Å |
| 1476 | A | 60.9 | Low | 68.5 | Low | 73 Ų | 73 | 102.8 Ų | 102.8 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -1.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | D1473 | D1473-A1476 HydrophobicContact CB-CB 4.48Š|
| 1477 | R | 58.3 | Low | 68.3 | Low | 240 Ų | 240 | 104.8 Ų | 104.8 | 91% | 0.906 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.5 | 3.8 | -177 | -61.8 | -172.7 | -176.7 | 175.8 | 3.6 | 115.9 | C1475 | C1475-R1477 PolarHBondContact O-N 3Š|
| 1478 | I | 69.8 | Low | 67.3 | Low | 68 Ų | 68 | 114.7 Ų | 114.7 | 35% | 0.349 | 56% | 0.558 | S | S | . | * | trans | -98.1 | 142.5 | -170.6 | -62.5 | 170.1 | 0 | 0 | 0 | 111 | C1475 | C1475-I1478 PolarHBondContact O-N 3.02Š| ||
| 1479 | R | 71.5 | Confident | 67.2 | Low | 221 Ų | 221 | 107.9 Ų | 107.9 | 83% | 0.834 | 54% | 0.536 | S | S | * | . | trans | -129.9 | 143.5 | 176.3 | -71.6 | -172.7 | -76.1 | -169.8 | -2.2 | 110.1 | ||||
| 1480 | C | 86.5 | Confident | 68 | Low | 41 Ų | 41 | 106.3 Ų | 106.3 | 28% | 0.277 | 53% | 0.534 | S | S | . | . | trans | -123.8 | 165.8 | -175.9 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | A1484 C1486 C1491 | C1480-A1484 HydrophobicContact CB-CB 4.33Å; C1480-C1486 VanDerWaalsContact SG-CB 3.5Å; C1480-C1491 WeakPolarHBondContact CA-SG 3.2Å; C1480-C1491 HydrophobicContact CB-CB 3.58Å; C1480-C1491 WeakPolarHBondContact CB-SG 3.38Å; C1480-C1491 WeakPolarHBondContact SG-CB 3.48Å; C1480-C1491 CovalentContact SG-SG 2.03Å; C1480-C1491 PolarHBondContact SG-SG 3.2Å | ||
| 1481 | H | 85.4 | Confident | 69.6 | Low | 35 Ų | 35 | 99.8 Ų | 99.8 | 16% | 0.162 | 51% | 0.507 | C | S | . | . | trans | -63.1 | 151.1 | 174.8 | -163.3 | -127.7 | 0 | 0 | 0 | 112.2 | Q1483 A1484 G1501 Y1502 W1503 C1505 | H1481-Q1483 PolarHBondContact CE1-OE1 3.49Å; H1481-Q1483 PolarHBondContact ND1-OE1 2.91Å; H1481-Q1483 PolarHBondContact O-N 3.16Å; H1481-A1484 HydrophobicContact CB-CB 3.93Å; H1481-A1484 WeakPolarHBondContact O-CA 3.42Å; H1481-A1484 VanDerWaalsContact O-CB 3.31Å; H1481-A1484 WeakPolarHBondContact O-CB 3.43Å; H1481-A1484 PolarHBondContact O-N 2.91Å; H1481-G1501 WeakPolarHBondContact CB-O 3.16Å; H1481-G1501 PolarHBondContact N-O 2.9Å; H1481-Y1502 WeakPolarHBondContact CB-O 3.48Å; H1481-Y1502 PolarHBondContact N-O 2.94Å; H1481-W1503 PolarHBondContact CD2-O 2.73Å; H1481-W1503 VanDerWaalsContact CD2-O 3.31Å; H1481-W1503 PolarHBondContact NE2-O 3.31Å; H1481-C1505 PolarHBondContact ND1-SG 2.96Å; H1481-C1505 VanDerWaalsContact ND1-SG 3.43Å | ||
| 1482 | P | 78 | Confident | 71.1 | Confident | 104 Ų | 104 | 103.3 Ų | 103.3 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -35.6 | 179.1 | -25.3 | 37.3 | 0 | 0 | 0 | 114 | A1484 K1494 | P1482-A1484 PolarHBondContact O-N 2.95Å; P1482-K1494 PolarHBondContact O-NZ 2.98Å |
| 1483 | Q | 82.9 | Confident | 72.8 | Confident | 64 Ų | 64 | 96.1 Ų | 96.1 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 14.4 | 169.3 | -70.6 | 84.6 | -14.6 | 0 | 0 | 112.9 | H1481 C1493 K1494 Y1497 C1505 | H1481-Q1483 PolarHBondContact CE1-OE1 3.49Å; H1481-Q1483 PolarHBondContact ND1-OE1 2.91Å; H1481-Q1483 PolarHBondContact O-N 3.16Å; Q1483-C1493 CarbonylContact O-C 3.44Å; Q1483-C1493 WeakPolarHBondContact O-CA 3.39Å; Q1483-K1494 WeakPolarHBondContact O-CB 3.34Å; Q1483-K1494 VanDerWaalsContact O-CD 3.29Å; Q1483-K1494 WeakPolarHBondContact O-CD 3.27Å; Q1483-K1494 WeakPolarHBondContact O-CG 3.33Å; Q1483-K1494 PolarHBondContact O-N 2.83Å; Q1483-Y1497 HydrophobicContact CG-CE1 4.47Å; Q1483-Y1497 HydrophobicContact CG-CE2 4.49Å; Q1483-C1505 HydrophobicContact CB-CB 3.96Å |
| 1484 | A | 86 | Confident | 74.1 | Confident | 10 Ų | 10 | 95.7 Ų | 95.7 | 8% | 0.083 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C1480 H1481 P1482 R1492 K1494 G1501 | C1480-A1484 HydrophobicContact CB-CB 4.33Å; H1481-A1484 HydrophobicContact CB-CB 3.93Å; H1481-A1484 WeakPolarHBondContact O-CA 3.42Å; H1481-A1484 VanDerWaalsContact O-CB 3.31Å; H1481-A1484 WeakPolarHBondContact O-CB 3.43Å; H1481-A1484 PolarHBondContact O-N 2.91Å; P1482-A1484 PolarHBondContact O-N 2.95Å; A1484-R1492 CarbonylContact C-O 3.59Å; A1484-R1492 WeakPolarHBondContact CA-O 3.35Å; A1484-R1492 WeakPolarHBondContact CB-O 3.25Å; A1484-K1494 WeakPolarHBondContact O-CE 3.44Å; A1484-K1494 PolarHBondContact O-NZ 2.94Å; A1484-G1501 WeakPolarHBondContact CB-O 3.41Å |
| 1485 | Q | 76.4 | Confident | 74.5 | Confident | 112 Ų | 112 | 98.6 Ų | 98.6 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.7 | 177.8 | 174.1 | 163.9 | -49.4 | 0 | 0 | 109.8 | E1487 C1491 R1492 | Q1485-E1487 HydrophobicContact CG-CG 4.32Å; Q1485-E1487 PolarHBondContact NE2-OE1 2.84Å; Q1485-C1491 WeakPolarHBondContact O-CA 3.34Å; Q1485-R1492 PolarHBondContact N-O 3.19Å; Q1485-R1492 PolarHBondContact O-N 2.67Å; Q1485-R1492 VanDerWaalsContact O-N 3.12Å |
| 1486 | C | 80.7 | Confident | 73.5 | Confident | 55 Ų | 55 | 99 Ų | 99 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125 | 175.5 | -168.7 | 0 | 0 | 0 | 0 | 110.7 | C1480 F1490 | C1480-C1486 VanDerWaalsContact SG-CB 3.5Å; C1486-F1490 CarbonylContact C-O 3.55Å; C1486-F1490 WeakPolarHBondContact CA-O 3.29Å |
| 1487 | E | 66 | Low | 74.3 | Confident | 110 Ų | 110 | 100.8 Ų | 100.8 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.9 | 171.3 | -69.4 | -176.9 | 168 | 0 | 0 | 109.8 | Q1485 G1489 F1490 | Q1485-E1487 HydrophobicContact CG-CG 4.32Å; Q1485-E1487 PolarHBondContact NE2-OE1 2.84Å; E1487-G1489 PolarHBondContact O-N 2.9Å; E1487-F1490 PolarHBondContact N-O 2.9Å; E1487-F1490 PolarHBondContact O-N 2.95Å |
| 1488 | Y | 62.3 | Low | 74.1 | Confident | 218 Ų | 218 | 97.7 Ų | 97.7 | 86% | 0.855 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 29.8 | 178.3 | -60.4 | -83.2 | 0 | 0 | 0 | 115.3 | ||
| 1489 | G | 68.1 | Low | 74.6 | Confident | 12 Ų | 12 | 96.5 Ų | 96.5 | 12% | 0.124 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -1.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E1487 | E1487-G1489 PolarHBondContact O-N 2.9Š|
| 1490 | F | 74.8 | Confident | 74.7 | Confident | 144 Ų | 144 | 89.7 Ų | 89.7 | 63% | 0.632 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 147.7 | -177.3 | -65.8 | -83.9 | 0 | 0 | 0 | 113.3 | C1486 E1487 Y1502 | C1486-F1490 CarbonylContact C-O 3.55Å; C1486-F1490 WeakPolarHBondContact CA-O 3.29Å; E1487-F1490 PolarHBondContact N-O 2.9Å; E1487-F1490 PolarHBondContact O-N 2.95Å; F1490-Y1502 WeakPolarHBondContact CA-OH 3.37Å |
| 1491 | C | 87.7 | Confident | 74.5 | Confident | 8 Ų | 8 | 87.8 Ų | 87.8 | 5% | 0.054 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.3 | -178.6 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | C1480 Q1485 G1501 Y1502 | C1480-C1491 WeakPolarHBondContact CA-SG 3.2Å; C1480-C1491 HydrophobicContact CB-CB 3.58Å; C1480-C1491 WeakPolarHBondContact CB-SG 3.38Å; C1480-C1491 WeakPolarHBondContact SG-CB 3.48Å; C1480-C1491 CovalentContact SG-SG 2.03Å; C1480-C1491 PolarHBondContact SG-SG 3.2Å; Q1485-C1491 WeakPolarHBondContact O-CA 3.34Å; C1491-G1501 WeakPolarHBondContact CB-O 3.33Å; C1491-Y1502 HydrophobicContact CB-CD1 4.03Å; C1491-Y1502 HydrophobicContact CB-CD2 3.97Å; C1491-Y1502 HydrophobicContact CB-CE1 3.9Å; C1491-Y1502 HydrophobicContact CB-CE2 3.8Å; C1491-Y1502 HydrophobicContact CB-CG 4.07Å; C1491-Y1502 PolarHBondContact N-OH 3.29Å; C1491-Y1502 VanDerWaalsContact SG-CD1 3.58Å; C1491-Y1502 WeakPolarHBondContact SG-CE1 3.47Å |
| 1492 | R | 78.7 | Confident | 74.4 | Confident | 196 Ų | 196 | 89.7 Ų | 89.7 | 74% | 0.74 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 133.8 | 179.3 | -70 | -174.4 | 171.1 | -148.1 | -2.7 | 114.2 | A1484 Q1485 | A1484-R1492 CarbonylContact C-O 3.59Å; A1484-R1492 WeakPolarHBondContact CA-O 3.35Å; A1484-R1492 WeakPolarHBondContact CB-O 3.25Å; Q1485-R1492 PolarHBondContact N-O 3.19Å; Q1485-R1492 PolarHBondContact O-N 2.67Å; Q1485-R1492 VanDerWaalsContact O-N 3.12Å |
| 1493 | C | 82.9 | Confident | 74.2 | Confident | 37 Ų | 37 | 94.8 Ų | 94.8 | 25% | 0.25 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 153.1 | 176 | -74.1 | 0 | 0 | 0 | 0 | 114.2 | Q1483 G1499 G1501 N1504 C1505 | Q1483-C1493 CarbonylContact O-C 3.44Å; Q1483-C1493 WeakPolarHBondContact O-CA 3.39Å; C1493-G1499 VanDerWaalsContact SG-C 3.56Å; C1493-G1501 PolarHBondContact SG-N 2.81Å; C1493-G1501 VanDerWaalsContact SG-N 3.36Å; C1493-N1504 PolarHBondContact SG-O 2.91Å; C1493-C1505 HydrophobicContact CB-CB 3.98Å; C1493-C1505 WeakPolarHBondContact CB-SG 3.32Å; C1493-C1505 WeakPolarHBondContact SG-CB 3.49Å; C1493-C1505 CovalentContact SG-SG 2.05Å; C1493-C1505 PolarHBondContact SG-SG 2.84Å |
| 1494 | K | 76.4 | Confident | 73.6 | Confident | 101 Ų | 101 | 95 Ų | 95 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 152.8 | 175.7 | -67.6 | 156.7 | -162.3 | 163.8 | 0 | 111.7 | P1482 Q1483 A1484 Y1497 | P1482-K1494 PolarHBondContact O-NZ 2.98Å; Q1483-K1494 WeakPolarHBondContact O-CB 3.34Å; Q1483-K1494 VanDerWaalsContact O-CD 3.29Å; Q1483-K1494 WeakPolarHBondContact O-CD 3.27Å; Q1483-K1494 WeakPolarHBondContact O-CG 3.33Å; Q1483-K1494 PolarHBondContact O-N 2.83Å; A1484-K1494 WeakPolarHBondContact O-CE 3.44Å; A1484-K1494 PolarHBondContact O-NZ 2.94Å; K1494-Y1497 PolarHBondContact O-N 3.29Å |
| 1495 | N | 61.3 | Low | 73.3 | Confident | 163 Ų | 163 | 94.9 Ų | 94.9 | 87% | 0.872 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 149.2 | -177.3 | -69.6 | -11.3 | 0 | 0 | 0 | 113.7 | Y1497 | N1495-Y1497 VanDerWaalsContact C-N 3.3Š|
| 1496 | G | 49.4 | Very low | 72.6 | Confident | 67 Ų | 67 | 95.3 Ų | 95.3 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -3.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1497 | Y | 76.9 | Confident | 71.4 | Confident | 111 Ų | 111 | 97.5 Ų | 97.5 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | trans | -134.6 | 147.9 | 179.3 | -57.3 | -99.8 | 0 | 0 | 0 | 111 | Q1483 K1494 N1495 C1505 Q1506 | Q1483-Y1497 HydrophobicContact CG-CE1 4.47Å; Q1483-Y1497 HydrophobicContact CG-CE2 4.49Å; K1494-Y1497 PolarHBondContact O-N 3.29Å; N1495-Y1497 VanDerWaalsContact C-N 3.3Å; Y1497-C1505 HydrophobicContact CD1-CB 4.44Å; Y1497-C1505 WeakPolarHBondContact CD1-O 3.42Å; Y1497-C1505 HydrophobicContact CG-CB 4.22Å; Y1497-Q1506 CarbonylContact C-O 3.56Å; Y1497-Q1506 WeakPolarHBondContact CA-O 3.43Å | ||
| 1498 | K | 54.6 | Low | 70.3 | Confident | 174 Ų | 174 | 99.7 Ų | 99.7 | 76% | 0.757 | 49% | 0.488 | S | S | * | . | B | Isolated β-bridge | trans | -117.2 | 133 | 173.5 | -175 | -176.4 | 179.3 | -174 | 0 | 110.1 | C1505 Q1506 | K1498-C1505 CarbonylContact O-C 3.53Å; K1498-C1505 WeakPolarHBondContact O-CA 3.48Å; K1498-Q1506 PolarHBondContact N-O 2.88Å; K1498-Q1506 PolarHBondContact O-N 2.78Å |
| 1499 | G | 79.2 | Confident | 69.2 | Low | 44 Ų | 44 | 98.6 Ų | 98.6 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | S | Bend | trans | 169.5 | -168.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1493 N1504 | C1493-G1499 VanDerWaalsContact SG-C 3.56Å; G1499-N1504 CarbonylContact C-O 3.53Å; G1499-N1504 VanDerWaalsContact CA-O 3.28Å; G1499-N1504 WeakPolarHBondContact CA-O 3.43Å |
| 1500 | D | 75.5 | Confident | 67.5 | Low | 78 Ų | 78 | 102.6 Ų | 102.6 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | trans | -86.3 | -18.5 | -168.2 | 76.5 | -20.7 | 0 | 0 | 0 | 114.6 | Y1502 W1503 N1504 | D1500-Y1502 PolarHBondContact O-N 2.85Å; D1500-Y1502 PolarHBondContact OD1-N 3.13Å; D1500-W1503 PolarHBondContact OD1-N 3.29Å; D1500-W1503 PolarHBondContact OD2-N 2.98Å; D1500-N1504 PolarHBondContact N-O 3Å; D1500-N1504 PolarHBondContact OD1-N 2.88Å | ||
| 1501 | G | 80.9 | Confident | 65.4 | Low | 0 Ų | 0 | 99.9 Ų | 99.9 | 0% | 0 | 51% | 0.509 | C | S | . | . | S | Bend | trans | 78.1 | -10.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | H1481 A1484 C1491 C1493 N1504 | H1481-G1501 WeakPolarHBondContact CB-O 3.16Å; H1481-G1501 PolarHBondContact N-O 2.9Å; A1484-G1501 WeakPolarHBondContact CB-O 3.41Å; C1491-G1501 WeakPolarHBondContact CB-O 3.33Å; C1493-G1501 PolarHBondContact SG-N 2.81Å; C1493-G1501 VanDerWaalsContact SG-N 3.36Å; G1501-N1504 PolarHBondContact N-O 3.39Å |
| 1502 | Y | 83.1 | Confident | 63.2 | Low | 76 Ų | 76 | 106.8 Ų | 106.8 | 30% | 0.298 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -97.1 | -40.8 | 175.4 | -71 | -94.4 | 0 | 0 | 0 | 111.5 | H1481 F1490 C1491 D1500 | H1481-Y1502 WeakPolarHBondContact CB-O 3.48Å; H1481-Y1502 PolarHBondContact N-O 2.94Å; F1490-Y1502 WeakPolarHBondContact CA-OH 3.37Å; C1491-Y1502 HydrophobicContact CB-CD1 4.03Å; C1491-Y1502 HydrophobicContact CB-CD2 3.97Å; C1491-Y1502 HydrophobicContact CB-CE1 3.9Å; C1491-Y1502 HydrophobicContact CB-CE2 3.8Å; C1491-Y1502 HydrophobicContact CB-CG 4.07Å; C1491-Y1502 PolarHBondContact N-OH 3.29Å; C1491-Y1502 VanDerWaalsContact SG-CD1 3.58Å; C1491-Y1502 WeakPolarHBondContact SG-CE1 3.47Å; D1500-Y1502 PolarHBondContact O-N 2.85Å; D1500-Y1502 PolarHBondContact OD1-N 3.13Å |
| 1503 | W | 73.5 | Confident | 61.9 | Low | 211 Ų | 211 | 103.4 Ų | 103.4 | 80% | 0.799 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -138.1 | -11.5 | -174.2 | -54 | 108.8 | 0 | 0 | 0 | 115.8 | H1481 D1500 | H1481-W1503 PolarHBondContact CD2-O 2.73Å; H1481-W1503 VanDerWaalsContact CD2-O 3.31Å; H1481-W1503 PolarHBondContact NE2-O 3.31Å; D1500-W1503 PolarHBondContact OD1-N 3.29Å; D1500-W1503 PolarHBondContact OD2-N 2.98Å |
| 1504 | N | 71.1 | Confident | 59.9 | Low | 68 Ų | 68 | 110.5 Ų | 110.5 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | trans | -149.1 | 142.9 | -175.2 | -170 | 4.3 | 0 | 0 | 0 | 113.6 | C1493 G1499 D1500 G1501 Q1506 | C1493-N1504 PolarHBondContact SG-O 2.91Å; G1499-N1504 CarbonylContact C-O 3.53Å; G1499-N1504 VanDerWaalsContact CA-O 3.28Å; G1499-N1504 WeakPolarHBondContact CA-O 3.43Å; D1500-N1504 PolarHBondContact N-O 3Å; D1500-N1504 PolarHBondContact OD1-N 2.88Å; G1501-N1504 PolarHBondContact N-O 3.39Å; N1504-Q1506 WeakPolarHBondContact OD1-CG 3.37Å | ||
| 1505 | C | 80.3 | Confident | 58.4 | Low | 8 Ų | 8 | 109.9 Ų | 109.9 | 5% | 0.054 | 59% | 0.585 | C | S | . | * | trans | -154 | 126.1 | 161.9 | -44.7 | 0 | 0 | 0 | 0 | 109.9 | H1481 Q1483 C1493 Y1497 K1498 | H1481-C1505 PolarHBondContact ND1-SG 2.96Å; H1481-C1505 VanDerWaalsContact ND1-SG 3.43Å; Q1483-C1505 HydrophobicContact CB-CB 3.96Å; C1493-C1505 HydrophobicContact CB-CB 3.98Å; C1493-C1505 WeakPolarHBondContact CB-SG 3.32Å; C1493-C1505 WeakPolarHBondContact SG-CB 3.49Å; C1493-C1505 CovalentContact SG-SG 2.05Å; C1493-C1505 PolarHBondContact SG-SG 2.84Å; Y1497-C1505 HydrophobicContact CD1-CB 4.44Å; Y1497-C1505 WeakPolarHBondContact CD1-O 3.42Å; Y1497-C1505 HydrophobicContact CG-CB 4.22Å; K1498-C1505 CarbonylContact O-C 3.53Å; K1498-C1505 WeakPolarHBondContact O-CA 3.48Å | ||
| 1506 | Q | 60.7 | Low | 57.8 | Low | 120 Ų | 120 | 109.7 Ų | 109.7 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | B | Isolated β-bridge | trans | -140.4 | 163.8 | -172.8 | -75.7 | 176.7 | -0.3 | 0 | 0 | 117.3 | Y1497 K1498 N1504 | Y1497-Q1506 CarbonylContact C-O 3.56Å; Y1497-Q1506 WeakPolarHBondContact CA-O 3.43Å; K1498-Q1506 PolarHBondContact N-O 2.88Å; K1498-Q1506 PolarHBondContact O-N 2.78Å; N1504-Q1506 WeakPolarHBondContact OD1-CG 3.37Å |
| 1507 | P | 56 | Low | 58.2 | Low | 101 Ų | 101 | 114 Ų | 114 | 66% | 0.656 | 58% | 0.581 | S | S | * | * | trans | -107.4 | -174.6 | 179.8 | 26.4 | -5.5 | 0 | 0 | 0 | 115.3 | ||||
| 1508 | I | 43.8 | Very low | 58 | Low | 157 Ų | 157 | 110.6 Ų | 110.6 | 81% | 0.805 | 57% | 0.573 | S | S | * | * | trans | -139.8 | 135.8 | -161.9 | -50 | 174.1 | 0 | 0 | 0 | 113 | ||||
| 1509 | Q | 38.3 | Very low | 59.1 | Low | 195 Ų | 195 | 104 Ų | 104 | 91% | 0.911 | 54% | 0.544 | S | S | * | . | trans | -161.8 | -156.3 | 179.7 | -133.6 | 175.5 | 19.7 | 0 | 0 | 118.2 | ||||
| 1510 | S | 32.6 | Very low | 58.5 | Low | 96 Ų | 96 | 108.8 Ų | 108.8 | 67% | 0.671 | 56% | 0.555 | S | S | * | * | trans | -136.9 | -164.7 | -165.4 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1511 | D | 29.8 | Very low | 58.3 | Low | 86 Ų | 86 | 108.3 Ų | 108.3 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | cis | -175.1 | 152.3 | 27 | -158.3 | -26.6 | 0 | 0 | 0 | 112.5 | R1514 | D1511-R1514 WeakPolarHBondContact OD1-CB 3.45Å; D1511-R1514 WeakPolarHBondContact OD2-CD 3.36Å; D1511-R1514 IonicContact OD2-CZ 3.69Å; D1511-R1514 IonicContact OD2-NE 2.68Å; D1511-R1514 IonicContact OD2-NH1 2.71Å; D1511-R1514 PolarHBondContact OD2-NH1 2.87Å | ||
| 1512 | L | 42.3 | Very low | 58 | Low | 154 Ų | 154 | 108.8 Ų | 108.8 | 81% | 0.806 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -162.4 | -23 | 158.6 | -166.5 | 52.7 | 0 | 0 | 0 | 117.6 | R1514 | L1512-R1514 PolarHBondContact O-N 3.29Š|
| 1513 | C | 50.6 | Low | 57.4 | Low | 124 Ų | 124 | 109 Ų | 109 | 84% | 0.838 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -73 | 44.9 | 174.2 | -77.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1514 | R | 41 | Very low | 57.2 | Low | 187 Ų | 187 | 102.7 Ų | 102.7 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | trans | -133.6 | 29.2 | -170.1 | -154.6 | -166.1 | 71.8 | -156.1 | 7 | 112.2 | D1511 L1512 | D1511-R1514 WeakPolarHBondContact OD1-CB 3.45Å; D1511-R1514 WeakPolarHBondContact OD2-CD 3.36Å; D1511-R1514 IonicContact OD2-CZ 3.69Å; D1511-R1514 IonicContact OD2-NE 2.68Å; D1511-R1514 IonicContact OD2-NH1 2.71Å; D1511-R1514 PolarHBondContact OD2-NH1 2.87Å; L1512-R1514 PolarHBondContact O-N 3.29Å | ||
| 1515 | A | 46.6 | Very low | 56.7 | Low | 88 Ų | 88 | 101.9 Ų | 101.9 | 73% | 0.727 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -98.5 | -65.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1516 | E | 48.1 | Very low | 55.5 | Low | 158 Ų | 158 | 111 Ų | 111 | 74% | 0.738 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -137.5 | 126.6 | 179.6 | -65.1 | -70.6 | 162.4 | 0 | 0 | 108.1 | ||
| 1517 | Q | 58 | Low | 55.7 | Low | 158 Ų | 158 | 108.2 Ų | 108.2 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 144.1 | -178.7 | -72.5 | 176.7 | -41.6 | 0 | 0 | 111.3 | ||
| 1518 | C | 73.1 | Confident | 56.4 | Low | 39 Ų | 39 | 111.7 Ų | 111.7 | 26% | 0.264 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 158.4 | 174.8 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | C1524 C1529 | C1518-C1524 VanDerWaalsContact SG-CB 3.52Å; C1518-C1529 WeakPolarHBondContact CA-SG 3.23Å; C1518-C1529 HydrophobicContact CB-CB 3.68Å; C1518-C1529 WeakPolarHBondContact CB-SG 3.42Å; C1518-C1529 WeakPolarHBondContact SG-CB 3.29Å; C1518-C1529 CovalentContact SG-SG 2.03Å; C1518-C1529 PolarHBondContact SG-SG 3.32Å |
| 1519 | H | 77.8 | Confident | 58.1 | Low | 36 Ų | 36 | 104.4 Ų | 104.4 | 17% | 0.167 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 148.3 | 172.6 | -179.3 | -100.9 | 0 | 0 | 0 | 111.4 | F1521 A1522 G1539 Y1540 Q1541 C1543 | H1519-F1521 VanDerWaalsContact C-N 3.25Å; H1519-F1521 AromaticContact CE1-CD2 3.77Å; H1519-F1521 PolarHBondContact ND1-N 3.17Å; H1519-F1521 PolarHBondContact O-N 2.9Å; H1519-F1521 VanDerWaalsContact O-N 3.1Å; H1519-A1522 HydrophobicContact CB-CB 4.19Å; H1519-A1522 WeakPolarHBondContact O-CA 3.29Å; H1519-A1522 WeakPolarHBondContact O-CB 3.36Å; H1519-A1522 PolarHBondContact O-N 3.3Å; H1519-A1522 VanDerWaalsContact O-O 3.14Å; H1519-G1539 VanDerWaalsContact CB-O 3.26Å; H1519-G1539 WeakPolarHBondContact CB-O 3.25Å; H1519-G1539 PolarHBondContact N-O 3.08Å; H1519-Y1540 PolarHBondContact N-O 3.06Å; H1519-Q1541 PolarHBondContact CD2-O 3.41Å; H1519-C1543 PolarHBondContact CE1-N 3.08Å; H1519-C1543 PolarHBondContact CE1-O 2.58Å; H1519-C1543 WeakPolarHBondContact ND1-CB 3.49Å; H1519-C1543 PolarHBondContact ND1-N 3.25Å; H1519-C1543 PolarHBondContact ND1-SG 2.96Å |
| 1520 | Q | 65.5 | Low | 59.8 | Low | 145 Ų | 145 | 104.1 Ų | 104.1 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -26.3 | -172.4 | 69.1 | -175.8 | 7.5 | 0 | 0 | 115.7 | ||
| 1521 | F | 72.1 | Confident | 62 | Low | 67 Ų | 67 | 101.2 Ų | 101.2 | 29% | 0.294 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 35 | 173.6 | -50 | -51.9 | 0 | 0 | 0 | 111.6 | H1519 C1531 L1532 Y1535 C1543 | H1519-F1521 VanDerWaalsContact C-N 3.25Å; H1519-F1521 AromaticContact CE1-CD2 3.77Å; H1519-F1521 PolarHBondContact ND1-N 3.17Å; H1519-F1521 PolarHBondContact O-N 2.9Å; H1519-F1521 VanDerWaalsContact O-N 3.1Å; F1521-C1531 WeakPolarHBondContact O-CA 3.37Å; F1521-L1532 WeakPolarHBondContact O-CG 3.23Å; F1521-L1532 PolarHBondContact O-N 3Å; F1521-Y1535 HydrophobicContact CB-CD1 4.03Å; F1521-Y1535 HydrophobicContact CB-CD2 4.39Å; F1521-Y1535 HydrophobicContact CB-CE1 4.11Å; F1521-Y1535 HydrophobicContact CB-CE2 4.47Å; F1521-Y1535 HydrophobicContact CB-CG 4.19Å; F1521-Y1535 HydrophobicContact CD1-CE1 4.23Å; F1521-Y1535 AromaticContact CD2-CD1 3.66Å; F1521-Y1535 HydrophobicContact CD2-CD1 3.66Å; F1521-Y1535 AromaticContact CD2-CE1 3.21Å; F1521-Y1535 HydrophobicContact CD2-CE1 3.21Å; F1521-Y1535 AromaticContact CD2-CZ 3.86Å; F1521-Y1535 HydrophobicContact CE2-CD1 4.38Å; F1521-Y1535 AromaticContact CE2-CE1 3.55Å; F1521-Y1535 HydrophobicContact CE2-CE1 3.55Å; F1521-Y1535 HydrophobicContact CG-CD1 4Å; F1521-Y1535 AromaticContact CG-CE1 3.6Å; F1521-Y1535 HydrophobicContact CG-CE1 3.6Å; F1521-Y1535 HydrophobicContact CG-CE2 4.38Å; F1521-Y1535 AromaticContact CG-CZ 3.82Å; F1521-Y1535 HydrophobicContact CZ-CE1 4.2Å; F1521-C1543 HydrophobicContact CB-CB 3.96Å; F1521-C1543 PolarHBondContact O-SG 3.28Å; F1521-C1543 VanDerWaalsContact O-SG 3.39Å |
| 1522 | A | 74.5 | Confident | 64 | Low | 10 Ų | 10 | 99.9 Ų | 99.9 | 8% | 0.083 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 143.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H1519 R1530 G1539 | H1519-A1522 HydrophobicContact CB-CB 4.19Å; H1519-A1522 WeakPolarHBondContact O-CA 3.29Å; H1519-A1522 WeakPolarHBondContact O-CB 3.36Å; H1519-A1522 PolarHBondContact O-N 3.3Å; H1519-A1522 VanDerWaalsContact O-O 3.14Å; A1522-R1530 CarbonylContact C-O 3.47Å; A1522-R1530 WeakPolarHBondContact CA-O 3.35Å; A1522-R1530 WeakPolarHBondContact CB-O 3.49Å; A1522-G1539 WeakPolarHBondContact CB-O 3.46Å |
| 1523 | R | 68.9 | Low | 64.7 | Low | 80 Ų | 80 | 100.5 Ų | 100.5 | 30% | 0.302 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 141.4 | 174.5 | -165.9 | 151.9 | 58.2 | -147.2 | -4.3 | 110.4 | Q444 I446 V1525 C1529 R1530 | Q444-R1523 PolarHBondContact O-NH1 2.97Å; I446-R1523 HydrophobicContact CD1-CB 4.18Å; I446-R1523 HydrophobicContact CG1-CG 4.47Å; R1523-V1525 HydrophobicContact CB-CG2 4.1Å; R1523-V1525 HydrophobicContact CG-CG2 3.88Å; R1523-V1525 PolarHBondContact O-N 2.84Å; R1523-C1529 WeakPolarHBondContact O-CA 3.13Å; R1523-R1530 PolarHBondContact N-O 2.86Å; R1523-R1530 PolarHBondContact O-N 3.23Å; R1523-R1530 VanDerWaalsContact O-N 3.1Å |
| 1524 | C | 70.2 | Confident | 64.8 | Low | 80 Ų | 80 | 96.2 Ų | 96.2 | 54% | 0.541 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 114.4 | 163.5 | -168.4 | 0 | 0 | 0 | 0 | 108.1 | C1518 | C1518-C1524 VanDerWaalsContact SG-CB 3.52Å |
| 1525 | V | 61.1 | Low | 66.4 | Low | 51 Ų | 51 | 90.3 Ų | 90.3 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121.9 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | R1523 G1527 R1528 | R1523-V1525 HydrophobicContact CB-CG2 4.1Å; R1523-V1525 HydrophobicContact CG-CG2 3.88Å; R1523-V1525 PolarHBondContact O-N 2.84Å; V1525-G1527 VanDerWaalsContact C-N 3.31Å; V1525-G1527 PolarHBondContact O-N 2.94Å; V1525-R1528 PolarHBondContact N-O 3.4Å; V1525-R1528 PolarHBondContact O-N 3.4Å |
| 1526 | E | 54.5 | Low | 67.3 | Low | 199 Ų | 199 | 92 Ų | 92 | 93% | 0.93 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 47.9 | -178.6 | -59.7 | -167.3 | 131 | 0 | 0 | 114.3 | R1528 | E1526-R1528 PolarHBondContact O-N 3.32Š|
| 1527 | G | 65.3 | Low | 69 | Low | 62 Ų | 62 | 86.7 Ų | 86.7 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 8.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V1525 Y1540 | V1525-G1527 VanDerWaalsContact C-N 3.31Å; V1525-G1527 PolarHBondContact O-N 2.94Å; G1527-Y1540 PolarHBondContact O-OH 3.18Å |
| 1528 | R | 70.6 | Confident | 69.6 | Low | 174 Ų | 174 | 82.5 Ų | 82.5 | 66% | 0.657 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.3 | 172.4 | -157.6 | 178.2 | -172.4 | 122 | 6.8 | 112.4 | V1525 E1526 Y1540 | V1525-R1528 PolarHBondContact N-O 3.4Å; V1525-R1528 PolarHBondContact O-N 3.4Å; E1526-R1528 PolarHBondContact O-N 3.32Å; R1528-Y1540 WeakPolarHBondContact CA-OH 3.35Å; R1528-Y1540 HydrophobicContact CG-CE2 3.95Å; R1528-Y1540 WeakPolarHBondContact CG-OH 3.29Å |
| 1529 | C | 79.5 | Confident | 69.5 | Low | 4 Ų | 4 | 80.6 Ų | 80.6 | 3% | 0.027 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 140.7 | 175.6 | -48.2 | 0 | 0 | 0 | 0 | 111.5 | C1518 R1523 G1539 Y1540 | C1518-C1529 WeakPolarHBondContact CA-SG 3.23Å; C1518-C1529 HydrophobicContact CB-CB 3.68Å; C1518-C1529 WeakPolarHBondContact CB-SG 3.42Å; C1518-C1529 WeakPolarHBondContact SG-CB 3.29Å; C1518-C1529 CovalentContact SG-SG 2.03Å; C1518-C1529 PolarHBondContact SG-SG 3.32Å; R1523-C1529 WeakPolarHBondContact O-CA 3.13Å; C1529-G1539 WeakPolarHBondContact CB-O 3.32Å; C1529-Y1540 HydrophobicContact CB-CD1 4.27Å; C1529-Y1540 HydrophobicContact CB-CD2 3.92Å; C1529-Y1540 HydrophobicContact CB-CE1 4.33Å; C1529-Y1540 HydrophobicContact CB-CE2 3.98Å; C1529-Y1540 HydrophobicContact CB-CG 4.08Å; C1529-Y1540 WeakPolarHBondContact SG-CD1 3.27Å; C1529-Y1540 WeakPolarHBondContact SG-CE1 3.25Å |
| 1530 | R | 74.5 | Confident | 69.4 | Low | 188 Ų | 188 | 82.7 Ų | 82.7 | 71% | 0.709 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 138.1 | 174.5 | -84.7 | -179.1 | 165.4 | 165.5 | -4 | 111.6 | A1522 R1523 | A1522-R1530 CarbonylContact C-O 3.47Å; A1522-R1530 WeakPolarHBondContact CA-O 3.35Å; A1522-R1530 WeakPolarHBondContact CB-O 3.49Å; R1523-R1530 PolarHBondContact N-O 2.86Å; R1523-R1530 PolarHBondContact O-N 3.23Å; R1523-R1530 VanDerWaalsContact O-N 3.1Å |
| 1531 | C | 79 | Confident | 70 | Confident | 35 Ų | 35 | 83.5 Ų | 83.5 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 150.9 | 177.6 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | F1521 G1537 M1542 C1543 | F1521-C1531 WeakPolarHBondContact O-CA 3.37Å; C1531-G1537 VanDerWaalsContact SG-CA 3.55Å; C1531-M1542 PolarHBondContact SG-O 2.79Å; C1531-M1542 VanDerWaalsContact SG-O 3.41Å; C1531-C1543 WeakPolarHBondContact CA-SG 3.07Å; C1531-C1543 HydrophobicContact CB-CB 3.76Å; C1531-C1543 WeakPolarHBondContact CB-SG 2.99Å; C1531-C1543 VanDerWaalsContact SG-CA 3.6Å; C1531-C1543 WeakPolarHBondContact SG-CB 3.29Å; C1531-C1543 CovalentContact SG-SG 2.03Å; C1531-C1543 PolarHBondContact SG-SG 3.31Å |
| 1532 | L | 71.1 | Confident | 69.9 | Low | 58 Ų | 58 | 84.6 Ų | 84.6 | 30% | 0.304 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 157.1 | 175 | -62.3 | 171.4 | 0 | 0 | 0 | 112.3 | I446 F1521 Y1535 | I446-L1532 HydrophobicContact CD1-CD1 3.96Å; I446-L1532 HydrophobicContact CD1-CD2 3.81Å; I446-L1532 HydrophobicContact CD1-CG 4.38Å; F1521-L1532 WeakPolarHBondContact O-CG 3.23Å; F1521-L1532 PolarHBondContact O-N 3Å; L1532-Y1535 HydrophobicContact CB-CD2 4.44Å; L1532-Y1535 WeakPolarHBondContact O-CB 3.29Å; L1532-Y1535 PolarHBondContact O-N 3.4Å |
| 1533 | D | 57.2 | Low | 69.7 | Low | 167 Ų | 167 | 84.2 Ų | 84.2 | 89% | 0.893 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 143.4 | 176.1 | -79.8 | -54 | 0 | 0 | 0 | 112.7 | Y1535 | D1533-Y1535 PolarHBondContact O-N 2.87Š|
| 1534 | G | 52.1 | Low | 69.6 | Low | 35 Ų | 35 | 85.2 Ų | 85.2 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -8.3 | -169 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1545 I1546 | G1534-I1545 CarbonylContact O-C 3.55Å; G1534-I1545 WeakPolarHBondContact O-CA 3.41Å; G1534-I1546 PolarHBondContact O-N 2.63Å |
| 1535 | Y | 74.7 | Confident | 68.7 | Low | 62 Ų | 62 | 86.9 Ų | 86.9 | 24% | 0.243 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.5 | 175.2 | -60.8 | -105.2 | 0 | 0 | 0 | 112.7 | F1521 L1532 D1533 C1543 N1544 I1545 | F1521-Y1535 HydrophobicContact CB-CD1 4.03Å; F1521-Y1535 HydrophobicContact CB-CD2 4.39Å; F1521-Y1535 HydrophobicContact CB-CE1 4.11Å; F1521-Y1535 HydrophobicContact CB-CE2 4.47Å; F1521-Y1535 HydrophobicContact CB-CG 4.19Å; F1521-Y1535 HydrophobicContact CD1-CE1 4.23Å; F1521-Y1535 AromaticContact CD2-CD1 3.66Å; F1521-Y1535 HydrophobicContact CD2-CD1 3.66Å; F1521-Y1535 AromaticContact CD2-CE1 3.21Å; F1521-Y1535 HydrophobicContact CD2-CE1 3.21Å; F1521-Y1535 AromaticContact CD2-CZ 3.86Å; F1521-Y1535 HydrophobicContact CE2-CD1 4.38Å; F1521-Y1535 AromaticContact CE2-CE1 3.55Å; F1521-Y1535 HydrophobicContact CE2-CE1 3.55Å; F1521-Y1535 HydrophobicContact CG-CD1 4Å; F1521-Y1535 AromaticContact CG-CE1 3.6Å; F1521-Y1535 HydrophobicContact CG-CE1 3.6Å; F1521-Y1535 HydrophobicContact CG-CE2 4.38Å; F1521-Y1535 AromaticContact CG-CZ 3.82Å; F1521-Y1535 HydrophobicContact CZ-CE1 4.2Å; L1532-Y1535 HydrophobicContact CB-CD2 4.44Å; L1532-Y1535 WeakPolarHBondContact O-CB 3.29Å; L1532-Y1535 PolarHBondContact O-N 3.4Å; D1533-Y1535 PolarHBondContact O-N 2.87Å; Y1535-C1543 HydrophobicContact CD1-CB 4.44Å; Y1535-N1544 CarbonylContact C-O 3.56Å; Y1535-N1544 VanDerWaalsContact CA-O 3.23Å; Y1535-N1544 WeakPolarHBondContact CA-O 3.46Å; Y1535-I1545 HydrophobicContact CD1-CG1 3.76Å; Y1535-I1545 HydrophobicContact CE1-CD1 4.09Å; Y1535-I1545 HydrophobicContact CE1-CG1 3.33Å; Y1535-I1545 HydrophobicContact CE2-CG1 4.43Å; Y1535-I1545 HydrophobicContact CG-CG1 4.46Å |
| 1536 | E | 64.7 | Low | 68.2 | Low | 123 Ų | 123 | 88 Ų | 88 | 58% | 0.575 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 140.4 | 172.5 | 61.4 | 175.5 | -173.1 | 0 | 0 | 112.1 | C1543 N1544 I1546 | E1536-C1543 CarbonylContact O-C 3.59Å; E1536-C1543 WeakPolarHBondContact O-CA 3.07Å; E1536-N1544 PolarHBondContact N-O 2.86Å; E1536-N1544 PolarHBondContact O-N 3.34Å; E1536-I1546 HydrophobicContact CB-CD1 4.29Å; E1536-I1546 HydrophobicContact CB-CG1 4.02Å; E1536-I1546 HydrophobicContact CG-CG1 3.94Å |
| 1537 | G | 84.8 | Confident | 67.4 | Low | 47 Ų | 47 | 84.2 Ų | 84.2 | 49% | 0.485 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | -164.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C1531 M1542 | C1531-G1537 VanDerWaalsContact SG-CA 3.55Å; G1537-M1542 CarbonylContact C-O 3.58Å; G1537-M1542 VanDerWaalsContact CA-O 3.29Å; G1537-M1542 WeakPolarHBondContact CA-O 3.05Å |
| 1538 | D | 69.8 | Low | 66.3 | Low | 70 Ų | 70 | 84.4 Ų | 84.4 | 37% | 0.374 | 45% | 0.446 | S | S | . | . | trans | -94.6 | -12.1 | -175 | 73.3 | 1.5 | 0 | 0 | 0 | 114.4 | Y1540 Q1541 M1542 | D1538-Y1540 PolarHBondContact O-N 2.95Å; D1538-Y1540 PolarHBondContact OD1-N 3.1Å; D1538-Q1541 PolarHBondContact OD1-N 3.25Å; D1538-M1542 HydrophobicContact CB-CG 4.28Å; D1538-M1542 PolarHBondContact N-O 2.94Å; D1538-M1542 PolarHBondContact OD1-N 2.78Å | ||
| 1539 | G | 72.1 | Confident | 64.5 | Low | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 45% | 0.448 | C | S | . | . | S | Bend | trans | 79.9 | -20.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H1519 A1522 C1529 M1542 | H1519-G1539 VanDerWaalsContact CB-O 3.26Å; H1519-G1539 WeakPolarHBondContact CB-O 3.25Å; H1519-G1539 PolarHBondContact N-O 3.08Å; A1522-G1539 WeakPolarHBondContact CB-O 3.46Å; C1529-G1539 WeakPolarHBondContact CB-O 3.32Å; G1539-M1542 PolarHBondContact N-O 3.18Å |
| 1540 | Y | 76.2 | Confident | 62.3 | Low | 79 Ų | 79 | 85.5 Ų | 85.5 | 31% | 0.31 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -96.7 | -42.3 | -177.4 | -75.4 | -92.8 | 0 | 0 | 0 | 112.3 | H1519 G1527 R1528 C1529 D1538 | H1519-Y1540 PolarHBondContact N-O 3.06Å; G1527-Y1540 PolarHBondContact O-OH 3.18Å; R1528-Y1540 WeakPolarHBondContact CA-OH 3.35Å; R1528-Y1540 HydrophobicContact CG-CE2 3.95Å; R1528-Y1540 WeakPolarHBondContact CG-OH 3.29Å; C1529-Y1540 HydrophobicContact CB-CD1 4.27Å; C1529-Y1540 HydrophobicContact CB-CD2 3.92Å; C1529-Y1540 HydrophobicContact CB-CE1 4.33Å; C1529-Y1540 HydrophobicContact CB-CE2 3.98Å; C1529-Y1540 HydrophobicContact CB-CG 4.08Å; C1529-Y1540 WeakPolarHBondContact SG-CD1 3.27Å; C1529-Y1540 WeakPolarHBondContact SG-CE1 3.25Å; D1538-Y1540 PolarHBondContact O-N 2.95Å; D1538-Y1540 PolarHBondContact OD1-N 3.1Å |
| 1541 | Q | 76.2 | Confident | 60.4 | Low | 162 Ų | 162 | 83 Ų | 83 | 76% | 0.757 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -130.4 | -13.8 | -176.6 | -63.7 | -166.7 | -13.8 | 0 | 0 | 113.7 | H1519 D1538 | H1519-Q1541 PolarHBondContact CD2-O 3.41Å; D1538-Q1541 PolarHBondContact OD1-N 3.25Å |
| 1542 | M | 70.3 | Confident | 58.2 | Low | 90 Ų | 90 | 85 Ų | 85 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | trans | -146.5 | 140.6 | 176.5 | 70.3 | -165.4 | 80.7 | 0 | 0 | 113.4 | C1531 G1537 D1538 G1539 | C1531-M1542 PolarHBondContact SG-O 2.79Å; C1531-M1542 VanDerWaalsContact SG-O 3.41Å; G1537-M1542 CarbonylContact C-O 3.58Å; G1537-M1542 VanDerWaalsContact CA-O 3.29Å; G1537-M1542 WeakPolarHBondContact CA-O 3.05Å; D1538-M1542 HydrophobicContact CB-CG 4.28Å; D1538-M1542 PolarHBondContact N-O 2.94Å; D1538-M1542 PolarHBondContact OD1-N 2.78Å; G1539-M1542 PolarHBondContact N-O 3.18Å | ||
| 1543 | C | 70.5 | Confident | 56.8 | Low | 2 Ų | 2 | 87.1 Ų | 87.1 | 1% | 0.014 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 119.2 | 159.4 | -59.9 | 0 | 0 | 0 | 0 | 107.3 | H1519 F1521 C1531 Y1535 E1536 | H1519-C1543 PolarHBondContact CE1-N 3.08Å; H1519-C1543 PolarHBondContact CE1-O 2.58Å; H1519-C1543 WeakPolarHBondContact ND1-CB 3.49Å; H1519-C1543 PolarHBondContact ND1-N 3.25Å; H1519-C1543 PolarHBondContact ND1-SG 2.96Å; F1521-C1543 HydrophobicContact CB-CB 3.96Å; F1521-C1543 PolarHBondContact O-SG 3.28Å; F1521-C1543 VanDerWaalsContact O-SG 3.39Å; C1531-C1543 WeakPolarHBondContact CA-SG 3.07Å; C1531-C1543 HydrophobicContact CB-CB 3.76Å; C1531-C1543 WeakPolarHBondContact CB-SG 2.99Å; C1531-C1543 VanDerWaalsContact SG-CA 3.6Å; C1531-C1543 WeakPolarHBondContact SG-CB 3.29Å; C1531-C1543 CovalentContact SG-SG 2.03Å; C1531-C1543 PolarHBondContact SG-SG 3.31Å; Y1535-C1543 HydrophobicContact CD1-CB 4.44Å; E1536-C1543 CarbonylContact O-C 3.59Å; E1536-C1543 WeakPolarHBondContact O-CA 3.07Å |
| 1544 | N | 67.4 | Low | 56.5 | Low | 102 Ų | 102 | 81.4 Ų | 81.4 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 144.1 | -173.9 | -66.6 | -56.4 | 0 | 0 | 0 | 111.2 | Y1535 E1536 I1546 | Y1535-N1544 CarbonylContact C-O 3.56Å; Y1535-N1544 VanDerWaalsContact CA-O 3.23Å; Y1535-N1544 WeakPolarHBondContact CA-O 3.46Å; E1536-N1544 PolarHBondContact N-O 2.86Å; E1536-N1544 PolarHBondContact O-N 3.34Å; N1544-I1546 PolarHBondContact O-N 2.98Å |
| 1545 | I | 50.7 | Low | 56.8 | Low | 115 Ų | 115 | 82.4 Ų | 82.4 | 59% | 0.59 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 128.6 | -177.1 | -65 | 172.1 | 0 | 0 | 0 | 111.3 | G1534 Y1535 P1547 | G1534-I1545 CarbonylContact O-C 3.55Å; G1534-I1545 WeakPolarHBondContact O-CA 3.41Å; Y1535-I1545 HydrophobicContact CD1-CG1 3.76Å; Y1535-I1545 HydrophobicContact CE1-CD1 4.09Å; Y1535-I1545 HydrophobicContact CE1-CG1 3.33Å; Y1535-I1545 HydrophobicContact CE2-CG1 4.43Å; Y1535-I1545 HydrophobicContact CG-CG1 4.46Å; I1545-P1547 VanDerWaalsContact O-CD 3.27Å; I1545-P1547 WeakPolarHBondContact O-CD 3.17Å |
| 1546 | I | 50.6 | Low | 56.1 | Low | 73 Ų | 73 | 83.6 Ų | 83.6 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | trans | -69.7 | 114.9 | 175.5 | -60.3 | 173.2 | 0 | 0 | 0 | 109 | G1534 E1536 N1544 G1548 | G1534-I1546 PolarHBondContact O-N 2.63Å; E1536-I1546 HydrophobicContact CB-CD1 4.29Å; E1536-I1546 HydrophobicContact CB-CG1 4.02Å; E1536-I1546 HydrophobicContact CG-CG1 3.94Å; N1544-I1546 PolarHBondContact O-N 2.98Å; I1546-G1548 PolarHBondContact O-N 2.85Å | ||
| 1547 | P | 37.7 | Very low | 56 | Low | 121 Ų | 121 | 78.3 Ų | 78.3 | 79% | 0.786 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 116.2 | -172.7 | -20.7 | 34.1 | 0 | 0 | 0 | 112.8 | I1545 | I1545-P1547 VanDerWaalsContact O-CD 3.27Å; I1545-P1547 WeakPolarHBondContact O-CD 3.17Å |
| 1548 | G | 42.8 | Very low | 55.4 | Low | 66 Ų | 66 | 78.5 Ų | 78.5 | 68% | 0.68 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.1 | -11.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1546 T1550 | I1546-G1548 PolarHBondContact O-N 2.85Å; G1548-T1550 PolarHBondContact O-N 2.92Å |
| 1549 | A | 32.7 | Very low | 55.7 | Low | 86 Ų | 86 | 75.5 Ų | 75.5 | 71% | 0.711 | 47% | 0.468 | S | S | * | . | trans | -78.5 | 42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1550 | T | 33.7 | Very low | 55.8 | Low | 115 Ų | 115 | 79.7 Ų | 79.7 | 71% | 0.706 | 49% | 0.49 | S | S | * | . | trans | -83.5 | 134.5 | -179.7 | 46.1 | 0 | 0 | 0 | 0 | 111.8 | G1548 A1552 | G1548-T1550 PolarHBondContact O-N 2.92Å; T1550-A1552 PolarHBondContact O-N 2.91Å | ||
| 1551 | S | 33.6 | Very low | 55.1 | Low | 135 Ų | 135 | 79.3 Ų | 79.3 | 94% | 0.944 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -70.8 | 40.7 | -177.8 | 48.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1552 | A | 32.6 | Very low | 54.9 | Low | 77 Ų | 77 | 74.8 Ų | 74.8 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | trans | -129.9 | 69.8 | -166 | 0 | 0 | 0 | 0 | 0 | 113 | T1550 | T1550-A1552 PolarHBondContact O-N 2.91Š| ||
| 1553 | D | 41.8 | Very low | 54.8 | Low | 103 Ų | 103 | 76.6 Ų | 76.6 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | trans | -148.5 | 21.4 | 152.3 | -141.7 | 4.5 | 0 | 0 | 0 | 118.8 | G1555 N1556 | D1553-G1555 PolarHBondContact O-N 2.74Å; D1553-G1555 VanDerWaalsContact O-N 3.14Å; D1553-N1556 PolarHBondContact O-N 3.26Å; D1553-N1556 VanDerWaalsContact O-N 3.14Å; D1553-N1556 WeakPolarHBondContact OD1-CB 3.19Å; D1553-N1556 VanDerWaalsContact OD1-CG 3.27Å; D1553-N1556 PolarHBondContact OD1-N 2.85Å; D1553-N1556 PolarHBondContact OD1-ND2 3.22Å; D1553-N1556 PolarHBondContact OD2-ND2 2.93Å | ||
| 1554 | C | 51.5 | Low | 54.9 | Low | 46 Ų | 46 | 83.3 Ų | 83.3 | 31% | 0.311 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 2.9 | 154 | -85.2 | 0 | 0 | 0 | 0 | 112.6 | N1556 C1557 C1568 | C1554-N1556 VanDerWaalsContact C-N 3.26Å; C1554-C1557 WeakPolarHBondContact O-CB 3.39Å; C1554-C1557 PolarHBondContact O-N 3.41Å; C1554-C1568 HydrophobicContact CB-CB 3.75Å; C1554-C1568 WeakPolarHBondContact CB-SG 3.39Å; C1554-C1568 WeakPolarHBondContact SG-CB 3.47Å; C1554-C1568 CovalentContact SG-SG 2.04Å; C1554-C1568 PolarHBondContact SG-SG 3.2Å |
| 1555 | G | 57.5 | Low | 55.4 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 58% | 0.577 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113 | D1553 N1558 | D1553-G1555 PolarHBondContact O-N 2.74Å; D1553-G1555 VanDerWaalsContact O-N 3.14Å; G1555-N1558 PolarHBondContact O-ND2 3.32Å |
| 1556 | N | 60.7 | Low | 56.7 | Low | 88 Ų | 88 | 73.6 Ų | 73.6 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -82.5 | -6.9 | 174.6 | -83.1 | -31.5 | 0 | 0 | 0 | 114.3 | D1553 C1554 N1558 | D1553-N1556 PolarHBondContact O-N 3.26Å; D1553-N1556 VanDerWaalsContact O-N 3.14Å; D1553-N1556 WeakPolarHBondContact OD1-CB 3.19Å; D1553-N1556 VanDerWaalsContact OD1-CG 3.27Å; D1553-N1556 PolarHBondContact OD1-N 2.85Å; D1553-N1556 PolarHBondContact OD1-ND2 3.22Å; D1553-N1556 PolarHBondContact OD2-ND2 2.93Å; C1554-N1556 VanDerWaalsContact C-N 3.26Å; N1556-N1558 PolarHBondContact O-N 2.99Å; N1556-N1558 PolarHBondContact O-ND2 3.36Å |
| 1557 | C | 61.9 | Low | 57.5 | Low | 11 Ų | 11 | 76.6 Ų | 76.6 | 7% | 0.074 | 48% | 0.475 | C | S | . | . | trans | -64.1 | 103.4 | 167.6 | -88.5 | 0 | 0 | 0 | 0 | 111.1 | C1554 K1563 C1573 G1585 | C1554-C1557 WeakPolarHBondContact O-CB 3.39Å; C1554-C1557 PolarHBondContact O-N 3.41Å; C1557-K1563 WeakPolarHBondContact O-CE 3.33Å; C1557-C1573 WeakPolarHBondContact CA-SG 3.08Å; C1557-C1573 HydrophobicContact CB-CB 4.43Å; C1557-C1573 WeakPolarHBondContact CB-SG 3.12Å; C1557-C1573 WeakPolarHBondContact SG-CB 3.38Å; C1557-C1573 CovalentContact SG-SG 2.04Å; C1557-C1573 PolarHBondContact SG-SG 2.94Å; C1557-G1585 WeakPolarHBondContact CA-O 3.36Å | ||
| 1558 | N | 74.3 | Confident | 58.7 | Low | 52 Ų | 52 | 73.7 Ų | 73.7 | 28% | 0.278 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 113.5 | -177.4 | -69 | -76.8 | 0 | 0 | 0 | 111.5 | G1555 N1556 K1563 G1585 V1586 C1587 | G1555-N1558 PolarHBondContact O-ND2 3.32Å; N1556-N1558 PolarHBondContact O-N 2.99Å; N1556-N1558 PolarHBondContact O-ND2 3.36Å; N1558-K1563 WeakPolarHBondContact OD1-CE 3.24Å; N1558-G1585 PolarHBondContact N-O 2.76Å; N1558-V1586 WeakPolarHBondContact O-CA 3.3Å; N1558-C1587 PolarHBondContact O-N 3.33Å |
| 1559 | G | 75.5 | Confident | 59.3 | Low | 7 Ų | 7 | 74 Ų | 74 | 7% | 0.072 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 141.3 | 164 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1562 K1563 A1566 C1587 | G1559-F1562 CarbonylContact C-O 3.49Å; G1559-F1562 WeakPolarHBondContact CA-O 3.45Å; G1559-F1562 CarbonylContact O-C 3.49Å; G1559-K1563 PolarHBondContact N-O 3.07Å; G1559-A1566 VanDerWaalsContact N-CB 3.32Å; G1559-C1587 CarbonylContact C-O 3.6Å; G1559-C1587 WeakPolarHBondContact CA-O 3.17Å |
| 1560 | I | 73.1 | Confident | 60.1 | Low | 88 Ų | 88 | 74.2 Ų | 74.2 | 45% | 0.451 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 125.2 | 179.6 | -55.3 | 179.8 | 0 | 0 | 0 | 109.2 | L1565 V1586 C1587 M1588 E1589 | I1560-L1565 WeakPolarHBondContact O-CD1 3.38Å; I1560-V1586 HydrophobicContact CD1-CG1 3.92Å; I1560-C1587 PolarHBondContact N-O 2.99Å; I1560-M1588 HydrophobicContact CB-CB 4.32Å; I1560-M1588 VanDerWaalsContact O-CA 3.3Å; I1560-M1588 WeakPolarHBondContact O-CA 3.25Å; I1560-E1589 PolarHBondContact O-N 2.55Å |
| 1561 | P | 62.8 | Low | 61.1 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 46% | 0.461 | 45% | 0.454 | S | S | . | . | S | Bend | cis | -80.9 | -13.8 | 6.2 | 31.2 | -35.4 | 0 | 0 | 0 | 115.4 | A1610 | P1561-A1610 HydrophobicContact CG-CB 4.11Š|
| 1562 | F | 71.4 | Confident | 62.5 | Low | 67 Ų | 67 | 74.2 Ų | 74.2 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -109.5 | 131.4 | -177.3 | -58.9 | -64.1 | 0 | 0 | 0 | 110.5 | G1559 E1564 L1565 F1607 N1608 A1610 | G1559-F1562 CarbonylContact C-O 3.49Å; G1559-F1562 WeakPolarHBondContact CA-O 3.45Å; G1559-F1562 CarbonylContact O-C 3.49Å; F1562-E1564 WeakPolarHBondContact CB-OE2 3.32Å; F1562-E1564 PolarHBondContact O-N 2.92Å; F1562-L1565 HydrophobicContact CB-CD1 4.29Å; F1562-L1565 HydrophobicContact CB-CG 4.23Å; F1562-L1565 WeakPolarHBondContact O-CB 3.49Å; F1562-L1565 VanDerWaalsContact O-CG 3.26Å; F1562-L1565 WeakPolarHBondContact O-CG 3.43Å; F1562-L1565 PolarHBondContact O-N 3.27Å; F1562-L1565 VanDerWaalsContact O-N 3.1Å; F1562-F1607 VanDerWaalsContact CD2-O 3.31Å; F1562-F1607 WeakPolarHBondContact CD2-O 3.46Å; F1562-F1607 WeakPolarHBondContact CE2-O 3.35Å; F1562-N1608 HydrophobicContact CE1-CB 4.38Å; F1562-N1608 HydrophobicContact CE2-CB 3.71Å; F1562-N1608 HydrophobicContact CZ-CB 3.59Å; F1562-A1610 HydrophobicContact CD2-CB 4.01Å; F1562-A1610 HydrophobicContact CE2-CB 4.05Å |
| 1563 | K | 68 | Low | 64.2 | Low | 127 Ų | 127 | 71.1 Ų | 71.1 | 55% | 0.552 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -66.3 | -29.1 | -170.7 | -160 | -179.7 | -175.4 | -173.2 | 0 | 112 | C1557 N1558 G1559 L1565 A1566 | C1557-K1563 WeakPolarHBondContact O-CE 3.33Å; N1558-K1563 WeakPolarHBondContact OD1-CE 3.24Å; G1559-K1563 PolarHBondContact N-O 3.07Å; K1563-L1565 PolarHBondContact O-N 2.95Å; K1563-L1565 VanDerWaalsContact O-N 3.1Å; K1563-A1566 PolarHBondContact O-N 2.81Å; K1563-A1566 VanDerWaalsContact O-N 3.16Å |
| 1564 | E | 73.3 | Confident | 65.9 | Low | 143 Ų | 143 | 70.6 Ų | 70.6 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -58 | -15.2 | 174.6 | -57.8 | 85.5 | 167.3 | 0 | 0 | 113.7 | F1562 A1566 | F1562-E1564 WeakPolarHBondContact CB-OE2 3.32Å; F1562-E1564 PolarHBondContact O-N 2.92Å; E1564-A1566 PolarHBondContact O-N 3.37Å |
| 1565 | L | 77.9 | Confident | 67.3 | Low | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -72.5 | -11.7 | 174.9 | -60.1 | 171.2 | 0 | 0 | 0 | 113.6 | I1560 F1562 K1563 C1575 A1576 F1579 C1587 F1607 | I1560-L1565 WeakPolarHBondContact O-CD1 3.38Å; F1562-L1565 HydrophobicContact CB-CD1 4.29Å; F1562-L1565 HydrophobicContact CB-CG 4.23Å; F1562-L1565 WeakPolarHBondContact O-CB 3.49Å; F1562-L1565 VanDerWaalsContact O-CG 3.26Å; F1562-L1565 WeakPolarHBondContact O-CG 3.43Å; F1562-L1565 PolarHBondContact O-N 3.27Å; F1562-L1565 VanDerWaalsContact O-N 3.1Å; K1563-L1565 PolarHBondContact O-N 2.95Å; K1563-L1565 VanDerWaalsContact O-N 3.1Å; L1565-C1575 WeakPolarHBondContact O-CA 3.28Å; L1565-A1576 HydrophobicContact CD2-CB 4.1Å; L1565-A1576 PolarHBondContact O-N 2.99Å; L1565-F1579 HydrophobicContact CD1-CD1 3.89Å; L1565-F1579 HydrophobicContact CD1-CE1 3.88Å; L1565-F1579 HydrophobicContact CD2-CD1 3.69Å; L1565-F1579 HydrophobicContact CD2-CD2 3.84Å; L1565-F1579 HydrophobicContact CD2-CE1 3.55Å; L1565-F1579 HydrophobicContact CD2-CE2 3.69Å; L1565-F1579 HydrophobicContact CD2-CG 3.84Å; L1565-F1579 HydrophobicContact CD2-CZ 3.55Å; L1565-F1579 HydrophobicContact CG-CD1 4.3Å; L1565-F1579 HydrophobicContact CG-CE1 4.36Å; L1565-C1587 VanDerWaalsContact O-CB 3.28Å; L1565-C1587 WeakPolarHBondContact O-CB 3.36Å; L1565-F1607 HydrophobicContact CD2-CB 3.96Å; L1565-F1607 HydrophobicContact CD2-CD1 3.42Å; L1565-F1607 VanDerWaalsContact CD2-CD1 3.42Å; L1565-F1607 HydrophobicContact CD2-CD2 4.08Å; L1565-F1607 HydrophobicContact CD2-CE1 3.85Å; L1565-F1607 HydrophobicContact CD2-CE2 4.45Å; L1565-F1607 HydrophobicContact CD2-CG 3.54Å; L1565-F1607 HydrophobicContact CD2-CZ 4.34Å; L1565-F1607 HydrophobicContact CG-CD1 4.42Å |
| 1566 | A | 76.9 | Confident | 68.4 | Low | 13 Ų | 13 | 68.1 Ų | 68.1 | 11% | 0.107 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1559 K1563 E1564 C1587 | G1559-A1566 VanDerWaalsContact N-CB 3.32Å; K1563-A1566 PolarHBondContact O-N 2.81Å; K1563-A1566 VanDerWaalsContact O-N 3.16Å; E1564-A1566 PolarHBondContact O-N 3.37Å; A1566-C1587 HydrophobicContact CB-CB 3.87Å; A1566-C1587 VanDerWaalsContact CB-SG 3.58Å |
| 1567 | Q | 67.1 | Low | 69.3 | Low | 135 Ų | 135 | 72.3 Ų | 72.3 | 63% | 0.631 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133 | 179.9 | -169.4 | 174.3 | -1.1 | 0 | 0 | 111.4 | V1569 C1573 I1574 | Q1567-V1569 HydrophobicContact CG-CG2 4.01Å; Q1567-C1573 CarbonylContact O-C 3.58Å; Q1567-C1573 WeakPolarHBondContact O-CA 3.35Å; Q1567-I1574 PolarHBondContact N-O 2.86Å; Q1567-I1574 PolarHBondContact O-N 2.82Å |
| 1568 | C | 63.5 | Low | 70.2 | Confident | 61 Ų | 61 | 72 Ų | 72 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.5 | 170.4 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | C1554 | C1554-C1568 HydrophobicContact CB-CB 3.75Å; C1554-C1568 WeakPolarHBondContact CB-SG 3.39Å; C1554-C1568 WeakPolarHBondContact SG-CB 3.47Å; C1554-C1568 CovalentContact SG-SG 2.04Å; C1554-C1568 PolarHBondContact SG-SG 3.2Å |
| 1569 | V | 55.2 | Low | 70.9 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 44% | 0.436 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 118.2 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | Q1567 G1571 R1572 I1574 | Q1567-V1569 HydrophobicContact CG-CG2 4.01Å; V1569-G1571 PolarHBondContact O-N 3.05Å; V1569-R1572 PolarHBondContact N-O 3.2Å; V1569-R1572 PolarHBondContact O-N 2.67Å; V1569-I1574 HydrophobicContact CB-CD1 3.85Å; V1569-I1574 HydrophobicContact CB-CG1 4.46Å; V1569-I1574 HydrophobicContact CG1-CD1 4.39Å; V1569-I1574 HydrophobicContact CG2-CD1 3.97Å; V1569-I1574 HydrophobicContact CG2-CG1 4.5Å |
| 1570 | G | 49.1 | Very low | 71.2 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 93% | 0.928 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 28 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1572 | G1570-R1572 PolarHBondContact O-N 3.31Š|
| 1571 | G | 56.5 | Low | 71.5 | Confident | 65 Ų | 65 | 70.5 Ų | 70.5 | 67% | 0.67 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 0.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1569 | V1569-G1571 PolarHBondContact O-N 3.05Š|
| 1572 | R | 61.3 | Low | 72.1 | Confident | 186 Ų | 186 | 70.3 Ų | 70.3 | 70% | 0.702 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 148.5 | 172 | -173.9 | 175.2 | -179.7 | 169.7 | 0.7 | 109.6 | V1569 G1570 | V1569-R1572 PolarHBondContact N-O 3.2Å; V1569-R1572 PolarHBondContact O-N 2.67Å; G1570-R1572 PolarHBondContact O-N 3.31Å |
| 1573 | C | 69.1 | Low | 72.1 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 8% | 0.081 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 147.7 | 172.6 | -133.8 | 0 | 0 | 0 | 0 | 112 | C1557 Q1567 | C1557-C1573 WeakPolarHBondContact CA-SG 3.08Å; C1557-C1573 HydrophobicContact CB-CB 4.43Å; C1557-C1573 WeakPolarHBondContact CB-SG 3.12Å; C1557-C1573 WeakPolarHBondContact SG-CB 3.38Å; C1557-C1573 CovalentContact SG-SG 2.04Å; C1557-C1573 PolarHBondContact SG-SG 2.94Å; Q1567-C1573 CarbonylContact O-C 3.58Å; Q1567-C1573 WeakPolarHBondContact O-CA 3.35Å |
| 1574 | I | 76.8 | Confident | 71.9 | Confident | 91 Ų | 91 | 73 Ų | 73 | 47% | 0.467 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.4 | 177.8 | -52.4 | -177.7 | 0 | 0 | 0 | 108.7 | Q1567 V1569 | Q1567-I1574 PolarHBondContact N-O 2.86Å; Q1567-I1574 PolarHBondContact O-N 2.82Å; V1569-I1574 HydrophobicContact CB-CD1 3.85Å; V1569-I1574 HydrophobicContact CB-CG1 4.46Å; V1569-I1574 HydrophobicContact CG1-CD1 4.39Å; V1569-I1574 HydrophobicContact CG2-CD1 3.97Å; V1569-I1574 HydrophobicContact CG2-CG1 4.5Å |
| 1575 | C | 81.6 | Confident | 71.8 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 149.9 | -179.7 | -56 | 0 | 0 | 0 | 0 | 113.2 | L1565 E1581 C1587 | L1565-C1575 WeakPolarHBondContact O-CA 3.28Å; C1575-E1581 VanDerWaalsContact SG-CB 3.59Å; C1575-C1587 WeakPolarHBondContact CA-SG 3.35Å; C1575-C1587 HydrophobicContact CB-CB 3.62Å; C1575-C1587 WeakPolarHBondContact CB-SG 3.35Å; C1575-C1587 VanDerWaalsContact SG-CA 3.59Å; C1575-C1587 WeakPolarHBondContact SG-CB 3.24Å; C1575-C1587 CovalentContact SG-SG 2.03Å; C1575-C1587 PolarHBondContact SG-SG 2.89Å |
| 1576 | A | 79.9 | Confident | 72 | Confident | 20 Ų | 20 | 68 Ų | 68 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 147.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1565 G1578 F1579 F1607 | L1565-A1576 HydrophobicContact CD2-CB 4.1Å; L1565-A1576 PolarHBondContact O-N 2.99Å; A1576-G1578 PolarHBondContact O-N 3.47Å; A1576-F1579 HydrophobicContact CB-CD2 3.71Å; A1576-F1579 HydrophobicContact CB-CE2 4.36Å; A1576-F1579 HydrophobicContact CB-CG 4.34Å; A1576-F1579 WeakPolarHBondContact O-CB 3.39Å; A1576-F1579 PolarHBondContact O-N 2.62Å; A1576-F1607 HydrophobicContact CB-CE1 4.24Å; A1576-F1607 HydrophobicContact CB-CE2 4.17Å; A1576-F1607 HydrophobicContact CB-CZ 3.7Å |
| 1577 | R | 80.2 | Confident | 72.3 | Confident | 176 Ų | 176 | 67.3 Ų | 67.3 | 66% | 0.664 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 120.2 | -174.4 | -170.8 | 174.4 | -177.4 | 164.4 | -0.5 | 111.4 | G1621 | R1577-G1621 PolarHBondContact NE-O 3.28Å; R1577-G1621 PolarHBondContact NH2-O 3.44Å |
| 1578 | G | 81.4 | Confident | 73.3 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -10.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1576 S1612 C1613 | A1576-G1578 PolarHBondContact O-N 3.47Å; G1578-S1612 WeakPolarHBondContact O-CA 3.48Å; G1578-C1613 PolarHBondContact O-N 2.82Å |
| 1579 | F | 89.2 | Confident | 74.3 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | trans | -99.4 | 158.4 | 178.3 | -64.5 | -95.2 | 0 | 0 | 0 | 111.4 | L1565 A1576 E1589 D1604 F1607 A1610 Y1611 | L1565-F1579 HydrophobicContact CD1-CD1 3.89Å; L1565-F1579 HydrophobicContact CD1-CE1 3.88Å; L1565-F1579 HydrophobicContact CD2-CD1 3.69Å; L1565-F1579 HydrophobicContact CD2-CD2 3.84Å; L1565-F1579 HydrophobicContact CD2-CE1 3.55Å; L1565-F1579 HydrophobicContact CD2-CE2 3.69Å; L1565-F1579 HydrophobicContact CD2-CG 3.84Å; L1565-F1579 HydrophobicContact CD2-CZ 3.55Å; L1565-F1579 HydrophobicContact CG-CD1 4.3Å; L1565-F1579 HydrophobicContact CG-CE1 4.36Å; A1576-F1579 HydrophobicContact CB-CD2 3.71Å; A1576-F1579 HydrophobicContact CB-CE2 4.36Å; A1576-F1579 HydrophobicContact CB-CG 4.34Å; A1576-F1579 WeakPolarHBondContact O-CB 3.39Å; A1576-F1579 PolarHBondContact O-N 2.62Å; F1579-E1589 HydrophobicContact CD1-CB 4.41Å; F1579-E1589 HydrophobicContact CE1-CB 4.24Å; F1579-D1604 HydrophobicContact CE2-CB 4.47Å; F1579-D1604 HydrophobicContact CZ-CB 4.14Å; F1579-F1607 HydrophobicContact CD2-CE2 4.49Å; F1579-F1607 AromaticContact CE2-CD2 3.44Å; F1579-F1607 HydrophobicContact CE2-CD2 3.44Å; F1579-F1607 VanDerWaalsContact CE2-CD2 3.44Å; F1579-F1607 AromaticContact CE2-CE2 3.72Å; F1579-F1607 HydrophobicContact CE2-CE2 3.72Å; F1579-F1607 HydrophobicContact CE2-CG 4.15Å; F1579-F1607 HydrophobicContact CZ-CB 4.1Å; F1579-F1607 AromaticContact CZ-CD2 3.72Å; F1579-F1607 HydrophobicContact CZ-CD2 3.72Å; F1579-F1607 HydrophobicContact CZ-CE2 4.44Å; F1579-F1607 HydrophobicContact CZ-CG 4.08Å; F1579-A1610 HydrophobicContact CE1-CB 3.91Å; F1579-A1610 HydrophobicContact CZ-CB 4.26Å; F1579-Y1611 WeakPolarHBondContact CE1-O 3.42Å | ||
| 1580 | I | 81.4 | Confident | 75.6 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 9% | 0.092 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.7 | -160.1 | -47.3 | -170.4 | 0 | 0 | 0 | 111.1 | V1582 C1587 M1588 C1590 N1594 V1624 | I1580-V1582 HydrophobicContact CG2-CG1 4.31Å; I1580-V1582 PolarHBondContact O-N 3.38Å; I1580-V1582 VanDerWaalsContact O-N 3.15Å; I1580-C1587 WeakPolarHBondContact O-CA 3.35Å; I1580-M1588 PolarHBondContact N-O 3.14Å; I1580-M1588 PolarHBondContact O-N 2.67Å; I1580-C1590 HydrophobicContact CD1-CB 3.82Å; I1580-C1590 HydrophobicContact CG1-CB 4.37Å; I1580-N1594 HydrophobicContact CD1-CB 3.43Å; I1580-N1594 VanDerWaalsContact CD1-CB 3.43Å; I1580-V1624 HydrophobicContact CG1-CG1 4.27Å; I1580-V1624 HydrophobicContact CG1-CG2 4.34Å |
| 1581 | E | 79.6 | Confident | 77.3 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 97.7 | 170.6 | -166.5 | 170.9 | -150.9 | 0 | 0 | 109.4 | C1575 Q1583 P1584 G1585 V1586 | C1575-E1581 VanDerWaalsContact SG-CB 3.59Å; E1581-Q1583 WeakPolarHBondContact CG-O 3.15Å; E1581-P1584 WeakPolarHBondContact OE1-CA 3.33Å; E1581-G1585 PolarHBondContact OE1-N 2.8Å; E1581-V1586 WeakPolarHBondContact CA-O 3.04Å |
| 1582 | V | 74.1 | Confident | 78.5 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -22.2 | -179.1 | -72.1 | 0 | 0 | 0 | 0 | 113.1 | I1580 V1586 M1588 | I1580-V1582 HydrophobicContact CG2-CG1 4.31Å; I1580-V1582 PolarHBondContact O-N 3.38Å; I1580-V1582 VanDerWaalsContact O-N 3.15Å; V1582-V1586 HydrophobicContact CG2-CB 4.39Å; V1582-V1586 HydrophobicContact CG2-CG1 4.07Å; V1582-V1586 PolarHBondContact N-O 3.22Å; V1582-M1588 HydrophobicContact CB-CG 4.37Å; V1582-M1588 HydrophobicContact CB-SD 4.3Å; V1582-M1588 HydrophobicContact CG1-CG 3.67Å; V1582-M1588 HydrophobicContact CG1-SD 3.73Å; V1582-M1588 HydrophobicContact CG2-CG 3.76Å; V1582-M1588 HydrophobicContact CG2-SD 3.75Å |
| 1583 | Q | 71.5 | Confident | 79.4 | Confident | 129 Ų | 129 | 60.9 Ų | 60.9 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 152.7 | 170.4 | -56.5 | -178.1 | 13.1 | 0 | 0 | 107.2 | E1581 G1585 V1586 | E1581-Q1583 WeakPolarHBondContact CG-O 3.15Å; Q1583-G1585 PolarHBondContact O-N 2.92Å; Q1583-V1586 HydrophobicContact CB-CB 4.12Å; Q1583-V1586 HydrophobicContact CB-CG2 4.12Å; Q1583-V1586 PolarHBondContact O-N 2.95Å |
| 1584 | P | 65.6 | Low | 80 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 79% | 0.792 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 116.6 | 177.3 | -26.6 | 35.5 | 0 | 0 | 0 | 111.4 | E1581 | E1581-P1584 WeakPolarHBondContact OE1-CA 3.33Š|
| 1585 | G | 69.6 | Low | 80.5 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -10.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | C1557 N1558 E1581 Q1583 | C1557-G1585 WeakPolarHBondContact CA-O 3.36Å; N1558-G1585 PolarHBondContact N-O 2.76Å; E1581-G1585 PolarHBondContact OE1-N 2.8Å; Q1583-G1585 PolarHBondContact O-N 2.92Å |
| 1586 | V | 81.8 | Confident | 80.9 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 104.4 | -174.4 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | N1558 I1560 E1581 V1582 Q1583 | N1558-V1586 WeakPolarHBondContact O-CA 3.3Å; I1560-V1586 HydrophobicContact CD1-CG1 3.92Å; E1581-V1586 WeakPolarHBondContact CA-O 3.04Å; V1582-V1586 HydrophobicContact CG2-CB 4.39Å; V1582-V1586 HydrophobicContact CG2-CG1 4.07Å; V1582-V1586 PolarHBondContact N-O 3.22Å; Q1583-V1586 HydrophobicContact CB-CB 4.12Å; Q1583-V1586 HydrophobicContact CB-CG2 4.12Å; Q1583-V1586 PolarHBondContact O-N 2.95Å |
| 1587 | C | 84 | Confident | 81.2 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.2 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 110 | N1558 G1559 I1560 L1565 A1566 C1575 I1580 | N1558-C1587 PolarHBondContact O-N 3.33Å; G1559-C1587 CarbonylContact C-O 3.6Å; G1559-C1587 WeakPolarHBondContact CA-O 3.17Å; I1560-C1587 PolarHBondContact N-O 2.99Å; L1565-C1587 VanDerWaalsContact O-CB 3.28Å; L1565-C1587 WeakPolarHBondContact O-CB 3.36Å; A1566-C1587 HydrophobicContact CB-CB 3.87Å; A1566-C1587 VanDerWaalsContact CB-SG 3.58Å; C1575-C1587 WeakPolarHBondContact CA-SG 3.35Å; C1575-C1587 HydrophobicContact CB-CB 3.62Å; C1575-C1587 WeakPolarHBondContact CB-SG 3.35Å; C1575-C1587 VanDerWaalsContact SG-CA 3.59Å; C1575-C1587 WeakPolarHBondContact SG-CB 3.24Å; C1575-C1587 CovalentContact SG-SG 2.03Å; C1575-C1587 PolarHBondContact SG-SG 2.89Å; I1580-C1587 WeakPolarHBondContact O-CA 3.35Å |
| 1588 | M | 87.2 | Confident | 81.6 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 166.1 | 179 | 72.2 | 171.7 | -75.2 | 0 | 0 | 114.4 | I1560 I1580 V1582 | I1560-M1588 HydrophobicContact CB-CB 4.32Å; I1560-M1588 VanDerWaalsContact O-CA 3.3Å; I1560-M1588 WeakPolarHBondContact O-CA 3.25Å; I1580-M1588 PolarHBondContact N-O 3.14Å; I1580-M1588 PolarHBondContact O-N 2.67Å; V1582-M1588 HydrophobicContact CB-CG 4.37Å; V1582-M1588 HydrophobicContact CB-SD 4.3Å; V1582-M1588 HydrophobicContact CG1-CG 3.67Å; V1582-M1588 HydrophobicContact CG1-SD 3.73Å; V1582-M1588 HydrophobicContact CG2-CG 3.76Å; V1582-M1588 HydrophobicContact CG2-SD 3.75Å |
| 1589 | E | 84.7 | Confident | 82 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | trans | -59.3 | 150.9 | 172.7 | 63.8 | 176.2 | 177 | 0 | 0 | 113.4 | I1560 F1579 A1610 Y1611 | I1560-E1589 PolarHBondContact O-N 2.55Å; F1579-E1589 HydrophobicContact CD1-CB 4.41Å; F1579-E1589 HydrophobicContact CE1-CB 4.24Å; E1589-A1610 HydrophobicContact CB-CB 4.49Å; E1589-Y1611 CarbonylContact C-O 3.52Å; E1589-Y1611 WeakPolarHBondContact CA-O 3.09Å; E1589-Y1611 WeakPolarHBondContact CB-O 3.41Å; E1589-Y1611 PolarHBondContact OE2-N 2.86Å | ||
| 1590 | C | 84 | Confident | 81.8 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | trans | -73.9 | 160.8 | -174.2 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | I1580 C1601 Y1611 S1612 C1613 | I1580-C1590 HydrophobicContact CD1-CB 3.82Å; I1580-C1590 HydrophobicContact CG1-CB 4.37Å; C1590-C1601 HydrophobicContact CB-CB 4.07Å; C1590-C1601 WeakPolarHBondContact CB-SG 3.5Å; C1590-C1601 PolarHBondContact O-SG 2.92Å; C1590-C1601 WeakPolarHBondContact SG-CA 3Å; C1590-C1601 WeakPolarHBondContact SG-CB 3.05Å; C1590-C1601 CovalentContact SG-SG 2.04Å; C1590-C1601 PolarHBondContact SG-SG 2.98Å; C1590-Y1611 PolarHBondContact N-O 2.81Å; C1590-Y1611 PolarHBondContact SG-O 2.79Å; C1590-S1612 VanDerWaalsContact SG-CA 3.53Å; C1590-S1612 PolarHBondContact SG-N 2.71Å; C1590-S1612 PolarHBondContact SG-O 3.43Å; C1590-C1613 WeakPolarHBondContact CB-SG 3.06Å | ||
| 1591 | V | 83.2 | Confident | 82.3 | Confident | 87 Ų | 87 | 64 Ų | 64 | 53% | 0.527 | 34% | 0.34 | S | S | . | . | trans | -121.8 | 150.8 | 151.9 | -93.5 | 0 | 0 | 0 | 0 | 107.9 | D1593 N1594 | V1591-D1593 PolarHBondContact O-N 2.7Å; V1591-N1594 HydrophobicContact CG2-CB 4.49Å; V1591-N1594 PolarHBondContact O-N 2.86Å | ||
| 1592 | Q | 82.5 | Confident | 82.5 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 41% | 0.411 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -56.2 | -29.9 | -169 | 179.9 | 56.7 | 70.2 | 0 | 0 | 114.6 | N1594 A1599 V1600 C1601 | Q1592-N1594 VanDerWaalsContact C-N 3.31Å; Q1592-N1594 PolarHBondContact O-N 2.83Å; Q1592-A1599 PolarHBondContact NE2-O 2.55Å; Q1592-V1600 VanDerWaalsContact OE1-CA 3.27Å; Q1592-C1601 HydrophobicContact CB-CB 4.27Å |
| 1593 | D | 80.3 | Confident | 82.9 | Confident | 156 Ų | 156 | 66.7 Ų | 66.7 | 83% | 0.834 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -76.8 | -14.8 | 179.1 | -61.7 | -34.6 | 0 | 0 | 0 | 113.6 | V1591 | V1591-D1593 PolarHBondContact O-N 2.7Š|
| 1594 | N | 80.9 | Confident | 82.8 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -96.8 | -4.6 | -179.2 | -64.1 | 4.5 | 0 | 0 | 0 | 113.4 | I1580 V1591 Q1592 | I1580-N1594 HydrophobicContact CD1-CB 3.43Å; I1580-N1594 VanDerWaalsContact CD1-CB 3.43Å; V1591-N1594 HydrophobicContact CG2-CB 4.49Å; V1591-N1594 PolarHBondContact O-N 2.86Å; Q1592-N1594 VanDerWaalsContact C-N 3.31Å; Q1592-N1594 PolarHBondContact O-N 2.83Å |
| 1595 | C | 88.6 | Confident | 83.2 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 11% | 0.108 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -84.7 | 160.8 | 175.6 | -59 | 0 | 0 | 0 | 0 | 111.3 | A1599 C1613 | C1595-A1599 HydrophobicContact CB-CB 3.89Å; C1595-C1613 WeakPolarHBondContact CA-SG 3.17Å; C1595-C1613 HydrophobicContact CB-CB 3.72Å; C1595-C1613 WeakPolarHBondContact CB-SG 3.44Å; C1595-C1613 WeakPolarHBondContact SG-CB 3.46Å; C1595-C1613 CovalentContact SG-SG 2.04Å; C1595-C1613 PolarHBondContact SG-SG 2.75Å |
| 1596 | H | 90.1 | Very high | 83.1 | Confident | 49 Ų | 49 | 71 Ų | 71 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | trans | -53.3 | 149.2 | 171.5 | -179.1 | -98.1 | 0 | 0 | 0 | 111 | D1598 A1599 G1623 V1624 S1625 C1627 | H1596-D1598 IonicContact CE1-OD2 3.63Å; H1596-D1598 PolarHBondContact ND1-N 3.46Å; H1596-D1598 VanDerWaalsContact ND1-N 3.15Å; H1596-D1598 PolarHBondContact O-N 2.76Å; H1596-A1599 HydrophobicContact CB-CB 4.16Å; H1596-A1599 WeakPolarHBondContact O-CA 3.46Å; H1596-A1599 WeakPolarHBondContact O-CB 3.4Å; H1596-A1599 PolarHBondContact O-N 2.9Å; H1596-G1623 WeakPolarHBondContact CB-O 3.44Å; H1596-G1623 PolarHBondContact N-O 3.25Å; H1596-V1624 PolarHBondContact N-O 3.23Å; H1596-S1625 PolarHBondContact CD2-O 2.65Å; H1596-C1627 PolarHBondContact CE1-N 2.99Å; H1596-C1627 VanDerWaalsContact CE1-N 3.34Å; H1596-C1627 PolarHBondContact CE1-O 2.85Å; H1596-C1627 WeakPolarHBondContact ND1-CB 3.36Å; H1596-C1627 PolarHBondContact ND1-N 3.18Å | ||
| 1597 | Q | 86.3 | Confident | 82.5 | Confident | 167 Ų | 167 | 71.8 Ų | 71.8 | 78% | 0.78 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.7 | -174.6 | -177 | 171.2 | -20.7 | 0 | 0 | 112.9 | K1616 | Q1597-K1616 PolarHBondContact O-NZ 3.33Š|
| 1598 | D | 88.5 | Confident | 81.8 | Confident | 50 Ų | 50 | 78.5 Ų | 78.5 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 32 | 173.8 | -62.4 | -51.1 | 0 | 0 | 0 | 114.3 | H1596 K1616 F1619 C1627 | H1596-D1598 IonicContact CE1-OD2 3.63Å; H1596-D1598 PolarHBondContact ND1-N 3.46Å; H1596-D1598 VanDerWaalsContact ND1-N 3.15Å; H1596-D1598 PolarHBondContact O-N 2.76Å; D1598-K1616 WeakPolarHBondContact O-CB 3.07Å; D1598-K1616 WeakPolarHBondContact O-CG 3.3Å; D1598-K1616 PolarHBondContact O-N 3.32Å; D1598-F1619 HydrophobicContact CB-CD1 3.72Å; D1598-F1619 HydrophobicContact CB-CE1 3.63Å; D1598-F1619 HydrophobicContact CB-CG 4.22Å; D1598-F1619 HydrophobicContact CB-CZ 4.07Å; D1598-C1627 HydrophobicContact CB-CB 4.09Å |
| 1599 | A | 88.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 164.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q1592 C1595 H1596 H1614 K1616 G1623 | Q1592-A1599 PolarHBondContact NE2-O 2.55Å; C1595-A1599 HydrophobicContact CB-CB 3.89Å; H1596-A1599 HydrophobicContact CB-CB 4.16Å; H1596-A1599 WeakPolarHBondContact O-CA 3.46Å; H1596-A1599 WeakPolarHBondContact O-CB 3.4Å; H1596-A1599 PolarHBondContact O-N 2.9Å; A1599-H1614 CarbonylContact C-O 3.35Å; A1599-H1614 WeakPolarHBondContact CA-O 3.45Å; A1599-H1614 VanDerWaalsContact CB-O 3.28Å; A1599-H1614 WeakPolarHBondContact CB-O 3.23Å; A1599-K1616 VanDerWaalsContact O-CE 3.22Å; A1599-K1616 WeakPolarHBondContact O-CE 3.47Å; A1599-G1623 WeakPolarHBondContact CB-O 3.04Å |
| 1600 | V | 86.5 | Confident | 81 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.8 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | Q1592 R1602 H1614 K1616 | Q1592-V1600 VanDerWaalsContact OE1-CA 3.27Å; V1600-R1602 HydrophobicContact CG1-CG 3.92Å; V1600-H1614 PolarHBondContact N-O 3.3Å; V1600-H1614 PolarHBondContact O-N 2.7Å; V1600-K1616 HydrophobicContact CG2-CD 4.43Å; V1600-K1616 HydrophobicContact CG2-CG 3.83Å |
| 1601 | C | 90.5 | Very high | 81.1 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 13% | 0.128 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 123.5 | 176.5 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | C1590 Q1592 | C1590-C1601 HydrophobicContact CB-CB 4.07Å; C1590-C1601 WeakPolarHBondContact CB-SG 3.5Å; C1590-C1601 PolarHBondContact O-SG 2.92Å; C1590-C1601 WeakPolarHBondContact SG-CA 3Å; C1590-C1601 WeakPolarHBondContact SG-CB 3.05Å; C1590-C1601 CovalentContact SG-SG 2.04Å; C1590-C1601 PolarHBondContact SG-SG 2.98Å; Q1592-C1601 HydrophobicContact CB-CB 4.27Å |
| 1602 | R | 85.1 | Confident | 81.4 | Confident | 149 Ų | 149 | 74.2 Ų | 74.2 | 56% | 0.562 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.5 | -177.2 | -62.3 | -171.8 | 173.6 | -171.3 | -0.9 | 112 | V1600 D1604 Y1611 S1612 | V1600-R1602 HydrophobicContact CG1-CG 3.92Å; R1602-D1604 PolarHBondContact O-N 3.21Å; R1602-Y1611 CarbonylContact O-C 3.59Å; R1602-Y1611 VanDerWaalsContact O-CA 3.27Å; R1602-Y1611 WeakPolarHBondContact O-CA 3.42Å; R1602-S1612 PolarHBondContact N-O 2.96Å; R1602-S1612 PolarHBondContact O-N 3.25Å |
| 1603 | P | 81.7 | Confident | 81.8 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 130.8 | 171.7 | -23.3 | 34.3 | 0 | 0 | 0 | 112.1 | G1609 Y1611 | P1603-G1609 WeakPolarHBondContact CB-O 3.04Å; P1603-Y1611 HydrophobicContact CG-CD1 4.24Å; P1603-Y1611 HydrophobicContact CG-CE1 3.76Å; P1603-Y1611 HydrophobicContact CG-CE2 4.14Å |
| 1604 | D | 69.3 | Low | 82 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.032 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 105.1 | 177.6 | -160.9 | -38 | 0 | 0 | 0 | 109.9 | F1579 R1602 R1606 F1607 G1609 A1610 S1612 H1614 | F1579-D1604 HydrophobicContact CE2-CB 4.47Å; F1579-D1604 HydrophobicContact CZ-CB 4.14Å; R1602-D1604 PolarHBondContact O-N 3.21Å; D1604-R1606 PolarHBondContact O-N 3.13Å; D1604-R1606 VanDerWaalsContact O-N 3.13Å; D1604-R1606 WeakPolarHBondContact OD1-CB 3.31Å; D1604-R1606 WeakPolarHBondContact OD1-CG 3.2Å; D1604-R1606 IonicContact OD1-CZ 3.06Å; D1604-R1606 PolarHBondContact OD1-N 3.23Å; D1604-R1606 IonicContact OD1-NE 2.63Å; D1604-R1606 PolarHBondContact OD1-NE 2.77Å; D1604-R1606 IonicContact OD1-NH2 3.4Å; D1604-R1606 IonicContact OD2-CZ 2.78Å; D1604-R1606 IonicContact OD2-NE 3.34Å; D1604-R1606 IonicContact OD2-NH2 3.78Å; D1604-R1606 PolarHBondContact OD2-NH2 2.87Å; D1604-F1607 HydrophobicContact CB-CD2 4.4Å; D1604-F1607 CarbonylContact O-C 3.43Å; D1604-F1607 PolarHBondContact O-N 2.89Å; D1604-G1609 WeakPolarHBondContact O-CA 3.5Å; D1604-G1609 PolarHBondContact O-N 3.14Å; D1604-A1610 WeakPolarHBondContact CB-O 3.23Å; D1604-A1610 PolarHBondContact N-O 2.93Å; D1604-S1612 WeakPolarHBondContact OD2-CB 3.14Å; D1604-S1612 PolarHBondContact OD2-OG 3.09Å; D1604-H1614 IonicContact OD2-CE1 3.8Å |
| 1605 | E | 74.2 | Confident | 82.3 | Confident | 179 Ų | 179 | 63.7 Ų | 63.7 | 84% | 0.836 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.5 | -174.6 | -64.4 | -166.2 | 171.1 | 0 | 0 | 113.2 | F1607 N1608 | E1605-F1607 PolarHBondContact O-N 2.03Å; E1605-N1608 PolarHBondContact O-N 2.85Å |
| 1606 | R | 68.2 | Low | 82 | Confident | 164 Ų | 164 | 66.7 Ų | 66.7 | 62% | 0.619 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -62.9 | -25.5 | 173.5 | -58.3 | 175 | -66.9 | 176.2 | 4.2 | 112.3 | D1604 | D1604-R1606 PolarHBondContact O-N 3.13Å; D1604-R1606 VanDerWaalsContact O-N 3.13Å; D1604-R1606 WeakPolarHBondContact OD1-CB 3.31Å; D1604-R1606 WeakPolarHBondContact OD1-CG 3.2Å; D1604-R1606 IonicContact OD1-CZ 3.06Å; D1604-R1606 PolarHBondContact OD1-N 3.23Å; D1604-R1606 IonicContact OD1-NE 2.63Å; D1604-R1606 PolarHBondContact OD1-NE 2.77Å; D1604-R1606 IonicContact OD1-NH2 3.4Å; D1604-R1606 IonicContact OD2-CZ 2.78Å; D1604-R1606 IonicContact OD2-NE 3.34Å; D1604-R1606 IonicContact OD2-NH2 3.78Å; D1604-R1606 PolarHBondContact OD2-NH2 2.87Å |
| 1607 | F | 68.4 | Low | 81.2 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -120.6 | 46.3 | -179.9 | -58.1 | -78.7 | 0 | 0 | 0 | 110.7 | F1562 L1565 A1576 F1579 D1604 E1605 G1609 A1610 | F1562-F1607 VanDerWaalsContact CD2-O 3.31Å; F1562-F1607 WeakPolarHBondContact CD2-O 3.46Å; F1562-F1607 WeakPolarHBondContact CE2-O 3.35Å; L1565-F1607 HydrophobicContact CD2-CB 3.96Å; L1565-F1607 HydrophobicContact CD2-CD1 3.42Å; L1565-F1607 VanDerWaalsContact CD2-CD1 3.42Å; L1565-F1607 HydrophobicContact CD2-CD2 4.08Å; L1565-F1607 HydrophobicContact CD2-CE1 3.85Å; L1565-F1607 HydrophobicContact CD2-CE2 4.45Å; L1565-F1607 HydrophobicContact CD2-CG 3.54Å; L1565-F1607 HydrophobicContact CD2-CZ 4.34Å; L1565-F1607 HydrophobicContact CG-CD1 4.42Å; A1576-F1607 HydrophobicContact CB-CE1 4.24Å; A1576-F1607 HydrophobicContact CB-CE2 4.17Å; A1576-F1607 HydrophobicContact CB-CZ 3.7Å; F1579-F1607 HydrophobicContact CD2-CE2 4.49Å; F1579-F1607 AromaticContact CE2-CD2 3.44Å; F1579-F1607 HydrophobicContact CE2-CD2 3.44Å; F1579-F1607 VanDerWaalsContact CE2-CD2 3.44Å; F1579-F1607 AromaticContact CE2-CE2 3.72Å; F1579-F1607 HydrophobicContact CE2-CE2 3.72Å; F1579-F1607 HydrophobicContact CE2-CG 4.15Å; F1579-F1607 HydrophobicContact CZ-CB 4.1Å; F1579-F1607 AromaticContact CZ-CD2 3.72Å; F1579-F1607 HydrophobicContact CZ-CD2 3.72Å; F1579-F1607 HydrophobicContact CZ-CE2 4.44Å; F1579-F1607 HydrophobicContact CZ-CG 4.08Å; D1604-F1607 HydrophobicContact CB-CD2 4.4Å; D1604-F1607 CarbonylContact O-C 3.43Å; D1604-F1607 PolarHBondContact O-N 2.89Å; E1605-F1607 PolarHBondContact O-N 2.03Å; F1607-G1609 PolarHBondContact O-N 2.79Å; F1607-A1610 HydrophobicContact CB-CB 4.32Å; F1607-A1610 WeakPolarHBondContact O-CB 3.36Å; F1607-A1610 PolarHBondContact O-N 3.43Å |
| 1608 | N | 69.6 | Low | 80.3 | Confident | 141 Ų | 141 | 63 Ų | 63 | 75% | 0.754 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 27.8 | 177.9 | -78.2 | -37.8 | 0 | 0 | 0 | 114.6 | F1562 E1605 | F1562-N1608 HydrophobicContact CE1-CB 4.38Å; F1562-N1608 HydrophobicContact CE2-CB 3.71Å; F1562-N1608 HydrophobicContact CZ-CB 3.59Å; E1605-N1608 PolarHBondContact O-N 2.85Å |
| 1609 | G | 75 | Confident | 80 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 11.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1603 D1604 F1607 | P1603-G1609 WeakPolarHBondContact CB-O 3.04Å; D1604-G1609 WeakPolarHBondContact O-CA 3.5Å; D1604-G1609 PolarHBondContact O-N 3.14Å; F1607-G1609 PolarHBondContact O-N 2.79Å |
| 1610 | A | 80.1 | Confident | 79.2 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 140.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P1561 F1562 F1579 E1589 D1604 F1607 | P1561-A1610 HydrophobicContact CG-CB 4.11Å; F1562-A1610 HydrophobicContact CD2-CB 4.01Å; F1562-A1610 HydrophobicContact CE2-CB 4.05Å; F1579-A1610 HydrophobicContact CE1-CB 3.91Å; F1579-A1610 HydrophobicContact CZ-CB 4.26Å; E1589-A1610 HydrophobicContact CB-CB 4.49Å; D1604-A1610 WeakPolarHBondContact CB-O 3.23Å; D1604-A1610 PolarHBondContact N-O 2.93Å; F1607-A1610 HydrophobicContact CB-CB 4.32Å; F1607-A1610 WeakPolarHBondContact O-CB 3.36Å; F1607-A1610 PolarHBondContact O-N 3.43Å |
| 1611 | Y | 85.3 | Confident | 78.9 | Confident | 109 Ų | 109 | 66.2 Ų | 66.2 | 43% | 0.427 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 128.8 | -170 | -73.7 | -112.4 | 0 | 0 | 0 | 112.5 | F1579 E1589 C1590 R1602 P1603 | F1579-Y1611 WeakPolarHBondContact CE1-O 3.42Å; E1589-Y1611 CarbonylContact C-O 3.52Å; E1589-Y1611 WeakPolarHBondContact CA-O 3.09Å; E1589-Y1611 WeakPolarHBondContact CB-O 3.41Å; E1589-Y1611 PolarHBondContact OE2-N 2.86Å; C1590-Y1611 PolarHBondContact N-O 2.81Å; C1590-Y1611 PolarHBondContact SG-O 2.79Å; R1602-Y1611 CarbonylContact O-C 3.59Å; R1602-Y1611 VanDerWaalsContact O-CA 3.27Å; R1602-Y1611 WeakPolarHBondContact O-CA 3.42Å; P1603-Y1611 HydrophobicContact CG-CD1 4.24Å; P1603-Y1611 HydrophobicContact CG-CE1 3.76Å; P1603-Y1611 HydrophobicContact CG-CE2 4.14Å |
| 1612 | S | 89.4 | Confident | 78.2 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 154.9 | 173.6 | 95.8 | 0 | 0 | 0 | 0 | 112 | G1578 C1590 R1602 D1604 H1614 | G1578-S1612 WeakPolarHBondContact O-CA 3.48Å; C1590-S1612 VanDerWaalsContact SG-CA 3.53Å; C1590-S1612 PolarHBondContact SG-N 2.71Å; C1590-S1612 PolarHBondContact SG-O 3.43Å; R1602-S1612 PolarHBondContact N-O 2.96Å; R1602-S1612 PolarHBondContact O-N 3.25Å; D1604-S1612 WeakPolarHBondContact OD2-CB 3.14Å; D1604-S1612 PolarHBondContact OD2-OG 3.09Å; S1612-H1614 PolarHBondContact O-CD2 3.29Å; S1612-H1614 VanDerWaalsContact O-CD2 3.28Å; S1612-H1614 PolarHBondContact O-N 2.76Å; S1612-H1614 PolarHBondContact OG-NE2 3.24Å |
| 1613 | C | 90.7 | Very high | 78.1 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.034 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.4 | 177.5 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | G1578 C1590 C1595 G1623 V1624 | G1578-C1613 PolarHBondContact O-N 2.82Å; C1590-C1613 WeakPolarHBondContact CB-SG 3.06Å; C1595-C1613 WeakPolarHBondContact CA-SG 3.17Å; C1595-C1613 HydrophobicContact CB-CB 3.72Å; C1595-C1613 WeakPolarHBondContact CB-SG 3.44Å; C1595-C1613 WeakPolarHBondContact SG-CB 3.46Å; C1595-C1613 CovalentContact SG-SG 2.04Å; C1595-C1613 PolarHBondContact SG-SG 2.75Å; C1613-G1623 VanDerWaalsContact CB-C 3.47Å; C1613-G1623 VanDerWaalsContact CB-O 3.24Å; C1613-G1623 WeakPolarHBondContact CB-O 3.5Å; C1613-G1623 WeakPolarHBondContact O-CA 3.46Å; C1613-V1624 HydrophobicContact CB-CG2 4.07Å |
| 1614 | H | 85.1 | Confident | 78.2 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 32% | 0.324 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.6 | 173.4 | -64 | -96.7 | 0 | 0 | 0 | 110.4 | A1599 V1600 D1604 S1612 | A1599-H1614 CarbonylContact C-O 3.35Å; A1599-H1614 WeakPolarHBondContact CA-O 3.45Å; A1599-H1614 VanDerWaalsContact CB-O 3.28Å; A1599-H1614 WeakPolarHBondContact CB-O 3.23Å; V1600-H1614 PolarHBondContact N-O 3.3Å; V1600-H1614 PolarHBondContact O-N 2.7Å; D1604-H1614 IonicContact OD2-CE1 3.8Å; S1612-H1614 PolarHBondContact O-CD2 3.29Å; S1612-H1614 VanDerWaalsContact O-CD2 3.28Å; S1612-H1614 PolarHBondContact O-N 2.76Å; S1612-H1614 PolarHBondContact OG-NE2 3.24Å |
| 1615 | C | 87 | Confident | 78.7 | Confident | 31 Ų | 31 | 63 Ų | 63 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 147.6 | 171 | -65 | 0 | 0 | 0 | 0 | 111.5 | F1619 C1627 | C1615-F1619 HydrophobicContact CB-CB 4.1Å; C1615-F1619 WeakPolarHBondContact CB-O 3.35Å; C1615-C1627 WeakPolarHBondContact CA-SG 3.34Å; C1615-C1627 HydrophobicContact CB-CB 3.79Å; C1615-C1627 WeakPolarHBondContact CB-SG 3.07Å; C1615-C1627 WeakPolarHBondContact SG-CB 3.43Å; C1615-C1627 CovalentContact SG-SG 2.04Å; C1615-C1627 PolarHBondContact SG-SG 2.91Å |
| 1616 | K | 82.8 | Confident | 78.8 | Confident | 80 Ų | 80 | 57 Ų | 57 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 151.9 | 176.7 | -70.4 | 169 | -166.9 | 169.3 | 0 | 109.8 | Q1597 D1598 A1599 V1600 G1618 F1619 | Q1597-K1616 PolarHBondContact O-NZ 3.33Å; D1598-K1616 WeakPolarHBondContact O-CB 3.07Å; D1598-K1616 WeakPolarHBondContact O-CG 3.3Å; D1598-K1616 PolarHBondContact O-N 3.32Å; A1599-K1616 VanDerWaalsContact O-CE 3.22Å; A1599-K1616 WeakPolarHBondContact O-CE 3.47Å; V1600-K1616 HydrophobicContact CG2-CD 4.43Å; V1600-K1616 HydrophobicContact CG2-CG 3.83Å; K1616-G1618 PolarHBondContact O-N 3.19Å; K1616-F1619 HydrophobicContact CB-CD2 4.36Å; K1616-F1619 WeakPolarHBondContact O-CB 3.28Å; K1616-F1619 PolarHBondContact O-N 3.21Å |
| 1617 | A | 73.2 | Confident | 79.4 | Confident | 105 Ų | 105 | 49.7 Ų | 49.7 | 87% | 0.868 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 133 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1618 | G | 67.4 | Low | 79.3 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 13.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1616 P1629 E1630 | K1616-G1618 PolarHBondContact O-N 3.19Å; G1618-P1629 CarbonylContact O-C 3.58Å; G1618-P1629 VanDerWaalsContact O-CA 3.27Å; G1618-P1629 WeakPolarHBondContact O-CA 3.4Å; G1618-E1630 VanDerWaalsContact C-OE2 3.24Å; G1618-E1630 WeakPolarHBondContact CA-OE2 3.29Å; G1618-E1630 PolarHBondContact N-OE2 3.16Å; G1618-E1630 PolarHBondContact O-N 3.28Å |
| 1619 | F | 82.8 | Confident | 78.9 | Confident | 54 Ų | 54 | 52 Ų | 52 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 143.9 | 175.1 | -64.4 | -114.3 | 0 | 0 | 0 | 112.4 | D1598 C1615 K1616 C1627 K1628 P1629 E1630 | D1598-F1619 HydrophobicContact CB-CD1 3.72Å; D1598-F1619 HydrophobicContact CB-CE1 3.63Å; D1598-F1619 HydrophobicContact CB-CG 4.22Å; D1598-F1619 HydrophobicContact CB-CZ 4.07Å; C1615-F1619 HydrophobicContact CB-CB 4.1Å; C1615-F1619 WeakPolarHBondContact CB-O 3.35Å; K1616-F1619 HydrophobicContact CB-CD2 4.36Å; K1616-F1619 WeakPolarHBondContact O-CB 3.28Å; K1616-F1619 PolarHBondContact O-N 3.21Å; F1619-C1627 HydrophobicContact CB-CB 4.05Å; F1619-C1627 HydrophobicContact CD1-CB 4.3Å; F1619-K1628 CarbonylContact C-O 3.58Å; F1619-K1628 WeakPolarHBondContact CA-O 3.49Å; F1619-P1629 HydrophobicContact CD1-CG 4.05Å; F1619-P1629 HydrophobicContact CE1-CG 3.74Å; F1619-P1629 HydrophobicContact CZ-CG 4.28Å; F1619-E1630 PolarHBondContact N-OE2 2.79Å |
| 1620 | T | 70.8 | Confident | 78 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 153.5 | 175.7 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | C1627 K1628 E1630 | T1620-C1627 CarbonylContact O-C 3.53Å; T1620-C1627 WeakPolarHBondContact O-CA 3.33Å; T1620-K1628 PolarHBondContact N-O 3.3Å; T1620-K1628 PolarHBondContact O-N 2.84Å; T1620-E1630 HydrophobicContact CG2-CG 3.88Å; T1620-E1630 WeakPolarHBondContact CG2-OE1 3.37Å |
| 1621 | G | 80.4 | Confident | 76.1 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165 | -147 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1577 V1626 | R1577-G1621 PolarHBondContact NE-O 3.28Å; R1577-G1621 PolarHBondContact NH2-O 3.44Å; G1621-V1626 WeakPolarHBondContact CA-O 3.07Å |
| 1622 | D | 74.8 | Confident | 73.7 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | trans | -99.4 | -13.8 | 173.2 | 74.8 | -11.5 | 0 | 0 | 0 | 112.8 | V1624 S1625 V1626 | D1622-V1624 PolarHBondContact O-N 2.63Å; D1622-V1624 PolarHBondContact OD1-N 2.82Å; D1622-S1625 PolarHBondContact OD1-N 2.86Å; D1622-S1625 WeakPolarHBondContact OD2-CB 3.42Å; D1622-S1625 PolarHBondContact OD2-N 3.06Å; D1622-S1625 PolarHBondContact OD2-OG 2.87Å; D1622-V1626 PolarHBondContact N-O 3.4Å; D1622-V1626 PolarHBondContact OD1-N 3.34Å; D1622-V1626 VanDerWaalsContact OD1-O 3.07Å | ||
| 1623 | G | 83.8 | Confident | 70.9 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.01 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 78 | -22 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1596 A1599 C1613 V1626 | H1596-G1623 WeakPolarHBondContact CB-O 3.44Å; H1596-G1623 PolarHBondContact N-O 3.25Å; A1599-G1623 WeakPolarHBondContact CB-O 3.04Å; C1613-G1623 VanDerWaalsContact CB-C 3.47Å; C1613-G1623 VanDerWaalsContact CB-O 3.24Å; C1613-G1623 WeakPolarHBondContact CB-O 3.5Å; C1613-G1623 WeakPolarHBondContact O-CA 3.46Å; G1623-V1626 PolarHBondContact N-O 3.42Å |
| 1624 | V | 83 | Confident | 67.8 | Low | 38 Ų | 38 | 77 Ų | 77 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -96.7 | -49.6 | -174.5 | -175.1 | 0 | 0 | 0 | 0 | 111 | I1580 H1596 C1613 D1622 | I1580-V1624 HydrophobicContact CG1-CG1 4.27Å; I1580-V1624 HydrophobicContact CG1-CG2 4.34Å; H1596-V1624 PolarHBondContact N-O 3.23Å; C1613-V1624 HydrophobicContact CB-CG2 4.07Å; D1622-V1624 PolarHBondContact O-N 2.63Å; D1622-V1624 PolarHBondContact OD1-N 2.82Å |
| 1625 | S | 80.1 | Confident | 65.1 | Low | 81 Ų | 81 | 81.9 Ų | 81.9 | 57% | 0.566 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -116.3 | -18.7 | -177 | 73.4 | 0 | 0 | 0 | 0 | 114.2 | H1596 D1622 | H1596-S1625 PolarHBondContact CD2-O 2.65Å; D1622-S1625 PolarHBondContact OD1-N 2.86Å; D1622-S1625 WeakPolarHBondContact OD2-CB 3.42Å; D1622-S1625 PolarHBondContact OD2-N 3.06Å; D1622-S1625 PolarHBondContact OD2-OG 2.87Å |
| 1626 | V | 77.9 | Confident | 62.3 | Low | 54 Ų | 54 | 88 Ų | 88 | 33% | 0.327 | 51% | 0.512 | S | S | . | . | trans | -145.1 | 129.4 | -173.9 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | G1621 D1622 G1623 K1628 | G1621-V1626 WeakPolarHBondContact CA-O 3.07Å; D1622-V1626 PolarHBondContact N-O 3.4Å; D1622-V1626 PolarHBondContact OD1-N 3.34Å; D1622-V1626 VanDerWaalsContact OD1-O 3.07Å; G1623-V1626 PolarHBondContact N-O 3.42Å; V1626-K1628 HydrophobicContact CG1-CD 4.26Å; V1626-K1628 HydrophobicContact CG1-CG 3.94Å | ||
| 1627 | C | 79.1 | Confident | 59.5 | Low | 9 Ų | 9 | 87.8 Ų | 87.8 | 6% | 0.061 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 139.8 | 152.3 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | H1596 D1598 C1615 F1619 T1620 | H1596-C1627 PolarHBondContact CE1-N 2.99Å; H1596-C1627 VanDerWaalsContact CE1-N 3.34Å; H1596-C1627 PolarHBondContact CE1-O 2.85Å; H1596-C1627 WeakPolarHBondContact ND1-CB 3.36Å; H1596-C1627 PolarHBondContact ND1-N 3.18Å; D1598-C1627 HydrophobicContact CB-CB 4.09Å; C1615-C1627 WeakPolarHBondContact CA-SG 3.34Å; C1615-C1627 HydrophobicContact CB-CB 3.79Å; C1615-C1627 WeakPolarHBondContact CB-SG 3.07Å; C1615-C1627 WeakPolarHBondContact SG-CB 3.43Å; C1615-C1627 CovalentContact SG-SG 2.04Å; C1615-C1627 PolarHBondContact SG-SG 2.91Å; F1619-C1627 HydrophobicContact CB-CB 4.05Å; F1619-C1627 HydrophobicContact CD1-CB 4.3Å; T1620-C1627 CarbonylContact O-C 3.53Å; T1620-C1627 WeakPolarHBondContact O-CA 3.33Å |
| 1628 | K | 67.7 | Low | 57.2 | Low | 141 Ų | 141 | 89 Ų | 89 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.9 | -176 | -61.5 | 178.4 | -177.2 | 173.7 | 0 | 111 | F1619 T1620 V1626 | F1619-K1628 CarbonylContact C-O 3.58Å; F1619-K1628 WeakPolarHBondContact CA-O 3.49Å; T1620-K1628 PolarHBondContact N-O 3.3Å; T1620-K1628 PolarHBondContact O-N 2.84Å; V1626-K1628 HydrophobicContact CG1-CD 4.26Å; V1626-K1628 HydrophobicContact CG1-CG 3.94Å |
| 1629 | P | 61.2 | Low | 55.4 | Low | 97 Ų | 97 | 93 Ų | 93 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 141.4 | -174.3 | -23 | 33.1 | 0 | 0 | 0 | 115.1 | G1618 F1619 | G1618-P1629 CarbonylContact O-C 3.58Å; G1618-P1629 VanDerWaalsContact O-CA 3.27Å; G1618-P1629 WeakPolarHBondContact O-CA 3.4Å; F1619-P1629 HydrophobicContact CD1-CG 4.05Å; F1619-P1629 HydrophobicContact CE1-CG 3.74Å; F1619-P1629 HydrophobicContact CZ-CG 4.28Å |
| 1630 | E | 54.8 | Low | 52.7 | Low | 101 Ų | 101 | 94.7 Ų | 94.7 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -82.5 | 140.3 | 169.1 | -62.4 | 174.1 | 119.4 | 0 | 0 | 110 | G1618 F1619 T1620 | G1618-E1630 VanDerWaalsContact C-OE2 3.24Å; G1618-E1630 WeakPolarHBondContact CA-OE2 3.29Å; G1618-E1630 PolarHBondContact N-OE2 3.16Å; G1618-E1630 PolarHBondContact O-N 3.28Å; F1619-E1630 PolarHBondContact N-OE2 2.79Å; T1620-E1630 HydrophobicContact CG2-CG 3.88Å; T1620-E1630 WeakPolarHBondContact CG2-OE1 3.37Å |
| 1631 | S | 40.4 | Very low | 50.6 | Low | 129 Ų | 129 | 99.9 Ų | 99.9 | 90% | 0.902 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -89 | 134.4 | -177.4 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1632 | V | 34.3 | Very low | 48.2 | Very low | 147 Ų | 147 | 104.1 Ų | 104.1 | 89% | 0.891 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 129.4 | -160.8 | 177.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1633 | G | 30.9 | Very low | 46.1 | Very low | 74 Ų | 74 | 109.5 Ų | 109.5 | 76% | 0.763 | 63% | 0.63 | S | S | * | * | trans | -145.7 | 92.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1634 | R | 26.8 | Very low | 43.8 | Very low | 217 Ų | 217 | 114.7 Ų | 114.7 | 82% | 0.819 | 66% | 0.657 | S | S | * | * | trans | 6.5 | 116.1 | 165.4 | -68.2 | 176.1 | 178.1 | 166.4 | -0.2 | 117.8 | ||||
| 1635 | E | 27.2 | Very low | 41.7 | Very low | 172 Ų | 172 | 118.8 Ų | 118.8 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | 80.3 | 138.4 | 70.7 | -75.2 | 179.5 | 138.7 | 0 | 0 | 114.4 | |||||
| 1636 | D | 28.6 | Very low | 40 | Very low | 161 Ų | 161 | 116.7 Ų | 116.7 | 86% | 0.861 | 67% | 0.668 | S | S | * | * | trans | 67.1 | 144.5 | 177.1 | -60.7 | -25.4 | 0 | 0 | 0 | 119.5 | ||||
| 1637 | A | 25.1 | Very low | 38.4 | Very low | 74 Ų | 74 | 115.6 Ų | 115.6 | 61% | 0.612 | 66% | 0.662 | S | S | * | * | cis | -169.7 | 133.8 | -29.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1638 | T | 23.8 | Very low | 36.7 | Very low | 132 Ų | 132 | 119.2 Ų | 119.2 | 81% | 0.81 | 70% | 0.702 | S | S | * | * | trans | 62.1 | 143.4 | 154.9 | 56.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1639 | S | 30.3 | Very low | 36.1 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | trans | 72 | 152.1 | 162.4 | 76.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1640 | S | 26.4 | Very low | 35.8 | Very low | 90 Ų | 90 | 114.2 Ų | 114.2 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | cis | -170.9 | 117.5 | -34.6 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1641 | H | 26.4 | Very low | 36.3 | Very low | 186 Ų | 186 | 111 Ų | 111 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | trans | 61.3 | 161.4 | -169.6 | -44 | -97.3 | 0 | 0 | 0 | 111.8 | ||||
| 1642 | T | 29.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 116 Ų | 116 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | cis | -142.8 | 149.9 | 11.9 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1643 | I | 32 | Very low | 39.2 | Very low | 166 Ų | 166 | 110.3 Ų | 110.3 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | trans | 60.4 | 107.1 | 158.7 | -58.5 | 161.8 | 0 | 0 | 0 | 115.4 | ||||
| 1644 | D | 35.3 | Very low | 41 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | trans | -83.3 | 136 | -174.5 | -152.4 | -21.5 | 0 | 0 | 0 | 111.8 | T1646 | D1644-T1646 PolarHBondContact O-N 3.17Š| ||
| 1645 | P | 38.2 | Very low | 43.2 | Very low | 123 Ų | 123 | 103.7 Ų | 103.7 | 80% | 0.799 | 61% | 0.613 | S | S | * | * | trans | -64.4 | -3.4 | 177.7 | -24.9 | 36 | 0 | 0 | 0 | 116 | C1647 | P1645-C1647 PolarHBondContact O-N 2.77Š| ||
| 1646 | T | 43.6 | Very low | 45.5 | Very low | 37 Ų | 37 | 95.7 Ų | 95.7 | 23% | 0.227 | 58% | 0.576 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -64.7 | 101.3 | -174.7 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | D1644 G1648 R1660 | D1644-T1646 PolarHBondContact O-N 3.17Å; T1646-G1648 PolarHBondContact O-N 2.83Å; T1646-R1660 WeakPolarHBondContact CG2-O 3.48Å |
| 1647 | C | 45 | Very low | 47.5 | Very low | 31 Ų | 31 | 89.2 Ų | 89.2 | 21% | 0.209 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 48.1 | 174.9 | -48.8 | 0 | 0 | 0 | 0 | 115 | P1645 G1649 G1650 C1658 G1663 | P1645-C1647 PolarHBondContact O-N 2.77Å; C1647-G1649 PolarHBondContact O-N 3.01Å; C1647-G1650 PolarHBondContact O-N 3.11Å; C1647-C1658 HydrophobicContact CB-CB 3.52Å; C1647-C1658 WeakPolarHBondContact CB-SG 3.26Å; C1647-C1658 WeakPolarHBondContact SG-CB 3.47Å; C1647-C1658 CovalentContact SG-SG 2.02Å; C1647-C1658 PolarHBondContact SG-SG 3.07Å; C1647-G1663 PolarHBondContact SG-O 2.9Å |
| 1648 | G | 43.4 | Very low | 49.5 | Very low | 86 Ų | 86 | 87.1 Ų | 87.1 | 89% | 0.887 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 13.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | T1646 | T1646-G1648 PolarHBondContact O-N 2.83Š|
| 1649 | G | 54.4 | Low | 51.4 | Low | 82 Ų | 82 | 82.2 Ų | 82.2 | 85% | 0.845 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137 | 3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1647 | C1647-G1649 PolarHBondContact O-N 3.01Š|
| 1650 | G | 55.5 | Low | 52.5 | Low | 50 Ų | 50 | 83.2 Ų | 83.2 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | trans | 73.1 | 164 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1647 | C1647-G1650 PolarHBondContact O-N 3.11Š| ||
| 1651 | C | 65.6 | Low | 53.9 | Low | 33 Ų | 33 | 88.6 Ų | 88.6 | 22% | 0.223 | 48% | 0.484 | C | S | . | . | trans | -76.7 | 129.9 | 172.6 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | T1653 A1656 C1665 | C1651-T1653 VanDerWaalsContact C-N 3.32Å; C1651-A1656 HydrophobicContact CB-CB 3.66Å; C1651-C1665 WeakPolarHBondContact CA-SG 3.28Å; C1651-C1665 HydrophobicContact CB-CB 3.8Å; C1651-C1665 WeakPolarHBondContact CB-SG 3.36Å; C1651-C1665 WeakPolarHBondContact SG-CB 3.3Å; C1651-C1665 CovalentContact SG-SG 2.03Å; C1651-C1665 PolarHBondContact SG-SG 3.27Å | ||
| 1652 | R | 65.5 | Low | 55.8 | Low | 235 Ų | 235 | 84.2 Ų | 84.2 | 89% | 0.887 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -74.7 | -23.7 | -178.5 | -58.6 | -172.6 | -170 | -160 | 4.7 | 113 | ||
| 1653 | T | 70.7 | Confident | 57.3 | Low | 27 Ų | 27 | 80.4 Ų | 80.4 | 17% | 0.166 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -85.9 | 133.5 | -175.6 | -89.5 | 0 | 0 | 0 | 0 | 112.4 | C1651 N1655 A1656 E1676 | C1651-T1653 VanDerWaalsContact C-N 3.32Å; T1653-N1655 PolarHBondContact O-N 3.26Å; T1653-A1656 HydrophobicContact CG2-CB 4.41Å; T1653-A1656 WeakPolarHBondContact O-CB 3.01Å; T1653-A1656 PolarHBondContact O-N 2.89Å; T1653-E1676 WeakPolarHBondContact CB-O 3.29Å; T1653-E1676 VanDerWaalsContact OG1-C 3.3Å; T1653-E1676 PolarHBondContact OG1-O 2.89Å |
| 1654 | R | 68.9 | Low | 59.1 | Low | 147 Ų | 147 | 76.2 Ų | 76.2 | 56% | 0.555 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 137.9 | -179.9 | -165.8 | 179.3 | 88.9 | -157.3 | 8.7 | 109.8 | A1656 C1679 E1697 | R1654-A1656 VanDerWaalsContact C-N 3.26Å; R1654-A1656 PolarHBondContact O-N 3.05Å; R1654-C1679 WeakPolarHBondContact O-CB 3.29Å; R1654-E1697 IonicContact CZ-OE1 2.67Å; R1654-E1697 IonicContact NE-OE1 3.38Å; R1654-E1697 PolarHBondContact NE-OE1 2.81Å; R1654-E1697 IonicContact NH2-OE1 3.22Å; R1654-E1697 PolarHBondContact NH2-OE1 3.11Å; R1654-E1697 IonicContact NH2-OE2 2.62Å |
| 1655 | N | 72.7 | Confident | 60.7 | Low | 5 Ų | 5 | 71.6 Ų | 71.6 | 3% | 0.027 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 14.4 | -179.9 | -49.7 | -43.8 | 0 | 0 | 0 | 116.3 | T1653 R1668 Y1671 C1679 E1697 | T1653-N1655 PolarHBondContact O-N 3.26Å; N1655-R1668 VanDerWaalsContact O-CB 3.32Å; N1655-R1668 WeakPolarHBondContact O-CB 3.09Å; N1655-R1668 VanDerWaalsContact O-CG 3.25Å; N1655-R1668 WeakPolarHBondContact O-CG 3.38Å; N1655-R1668 PolarHBondContact O-N 2.99Å; N1655-Y1671 HydrophobicContact CB-CD1 3.64Å; N1655-Y1671 HydrophobicContact CB-CD2 3.91Å; N1655-Y1671 HydrophobicContact CB-CE1 3.79Å; N1655-Y1671 HydrophobicContact CB-CE2 4.04Å; N1655-Y1671 HydrophobicContact CB-CG 3.72Å; N1655-Y1671 VanDerWaalsContact CG-CE1 3.41Å; N1655-Y1671 WeakPolarHBondContact ND2-CE1 3.25Å; N1655-C1679 HydrophobicContact CB-CB 3.94Å; N1655-E1697 PolarHBondContact ND2-OE1 3.1Å |
| 1656 | A | 74.2 | Confident | 62.6 | Low | 5 Ų | 5 | 68.7 Ų | 68.7 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 159.7 | 166 | 0 | 0 | 0 | 0 | 0 | 113 | C1651 T1653 R1654 C1665 K1666 R1668 G1675 | C1651-A1656 HydrophobicContact CB-CB 3.66Å; T1653-A1656 HydrophobicContact CG2-CB 4.41Å; T1653-A1656 WeakPolarHBondContact O-CB 3.01Å; T1653-A1656 PolarHBondContact O-N 2.89Å; R1654-A1656 VanDerWaalsContact C-N 3.26Å; R1654-A1656 PolarHBondContact O-N 3.05Å; A1656-C1665 HydrophobicContact CB-CB 4.49Å; A1656-K1666 CarbonylContact C-O 3.55Å; A1656-K1666 VanDerWaalsContact CA-O 3.3Å; A1656-K1666 WeakPolarHBondContact CA-O 3.46Å; A1656-R1668 PolarHBondContact O-NE 3.44Å; A1656-R1668 PolarHBondContact O-NH2 2.92Å; A1656-G1675 WeakPolarHBondContact CB-O 3.44Å |
| 1657 | E | 71.1 | Confident | 64.1 | Low | 25 Ų | 25 | 68 Ų | 68 | 12% | 0.117 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 150.8 | 166.9 | 61.7 | 174.3 | -135 | 0 | 0 | 110.5 | C1665 K1666 R1668 | E1657-C1665 WeakPolarHBondContact O-CA 3.4Å; E1657-K1666 HydrophobicContact CG-CG 4.02Å; E1657-K1666 PolarHBondContact N-O 3.11Å; E1657-K1666 PolarHBondContact O-N 2.95Å; E1657-K1666 WeakPolarHBondContact OE1-CE 3.46Å; E1657-K1666 IonicContact OE1-NZ 3.46Å; E1657-R1668 HydrophobicContact CB-CG 3.77Å; E1657-R1668 HydrophobicContact CG-CG 3.85Å |
| 1658 | C | 66.5 | Low | 65.2 | Low | 30 Ų | 30 | 70 Ų | 70 | 20% | 0.203 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 125.2 | 173.4 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | C1647 R1660 | C1647-C1658 HydrophobicContact CB-CB 3.52Å; C1647-C1658 WeakPolarHBondContact CB-SG 3.26Å; C1647-C1658 WeakPolarHBondContact SG-CB 3.47Å; C1647-C1658 CovalentContact SG-SG 2.02Å; C1647-C1658 PolarHBondContact SG-SG 3.07Å; C1658-R1660 PolarHBondContact O-N 3.02Å |
| 1659 | D | 64.1 | Low | 66.6 | Low | 29 Ų | 29 | 71.7 Ų | 71.7 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | trans | -76.8 | 117.6 | 161.8 | -163.1 | -48 | 0 | 0 | 0 | 109.6 | Y1661 T1662 G1663 T1664 K1666 | D1659-Y1661 PolarHBondContact O-N 2.88Å; D1659-Y1661 PolarHBondContact OD1-N 3.35Å; D1659-T1662 WeakPolarHBondContact CB-OG1 3.38Å; D1659-T1662 PolarHBondContact O-N 2.71Å; D1659-G1663 WeakPolarHBondContact O-CA 3.28Å; D1659-G1663 PolarHBondContact O-N 2.04Å; D1659-T1664 PolarHBondContact N-O 3.41Å; D1659-K1666 HydrophobicContact CB-CD 3.99Å; D1659-K1666 IonicContact OD2-NZ 3.87Å; D1659-K1666 PolarHBondContact OD2-NZ 3.23Å | ||
| 1660 | R | 54.5 | Low | 67 | Low | 136 Ų | 136 | 68.2 Ų | 68.2 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10 | -176.6 | -55.9 | -173.8 | -167.3 | -170.2 | 2.2 | 113.7 | T1646 C1658 | T1646-R1660 WeakPolarHBondContact CG2-O 3.48Å; C1658-R1660 PolarHBondContact O-N 3.02Å |
| 1661 | Y | 56.1 | Low | 68 | Low | 204 Ų | 204 | 67.2 Ų | 67.2 | 80% | 0.8 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -19.8 | 178.4 | -65.1 | -77.3 | 0 | 0 | 0 | 113.4 | D1659 | D1659-Y1661 PolarHBondContact O-N 2.88Å; D1659-Y1661 PolarHBondContact OD1-N 3.35Å |
| 1662 | T | 66.2 | Low | 68.3 | Low | 93 Ų | 93 | 68.2 Ų | 68.2 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -17.6 | 175.2 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | D1659 T1664 | D1659-T1662 WeakPolarHBondContact CB-OG1 3.38Å; D1659-T1662 PolarHBondContact O-N 2.71Å; T1662-T1664 PolarHBondContact O-N 3.03Å; T1662-T1664 PolarHBondContact OG1-N 2.76Å; T1662-T1664 PolarHBondContact OG1-OG1 3.25Å |
| 1663 | G | 59.7 | Low | 68.8 | Low | 34 Ų | 34 | 59.4 Ų | 59.4 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | trans | 73.9 | 6.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1647 D1659 | C1647-G1663 PolarHBondContact SG-O 2.9Å; D1659-G1663 WeakPolarHBondContact O-CA 3.28Å; D1659-G1663 PolarHBondContact O-N 2.04Å | ||
| 1664 | T | 70.5 | Confident | 68.7 | Low | 79 Ų | 79 | 61.3 Ų | 61.3 | 49% | 0.485 | 33% | 0.325 | S | S | . | . | trans | -96.9 | 147.3 | -177.2 | 54.4 | 0 | 0 | 0 | 0 | 112 | D1659 T1662 | D1659-T1664 PolarHBondContact N-O 3.41Å; T1662-T1664 PolarHBondContact O-N 3.03Å; T1662-T1664 PolarHBondContact OG1-N 2.76Å; T1662-T1664 PolarHBondContact OG1-OG1 3.25Å | ||
| 1665 | C | 69 | Low | 68.6 | Low | 13 Ų | 13 | 54.3 Ų | 54.3 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.3 | 168.1 | -68.6 | 0 | 0 | 0 | 0 | 110.2 | C1651 A1656 E1657 E1676 | C1651-C1665 WeakPolarHBondContact CA-SG 3.28Å; C1651-C1665 HydrophobicContact CB-CB 3.8Å; C1651-C1665 WeakPolarHBondContact CB-SG 3.36Å; C1651-C1665 WeakPolarHBondContact SG-CB 3.3Å; C1651-C1665 CovalentContact SG-SG 2.03Å; C1651-C1665 PolarHBondContact SG-SG 3.27Å; A1656-C1665 HydrophobicContact CB-CB 4.49Å; E1657-C1665 WeakPolarHBondContact O-CA 3.4Å; C1665-E1676 HydrophobicContact CB-CG 4.29Å; C1665-E1676 VanDerWaalsContact CB-OE1 3.32Å; C1665-E1676 WeakPolarHBondContact CB-OE1 3.44Å |
| 1666 | K | 77.5 | Confident | 68.3 | Low | 62 Ų | 62 | 59.1 Ų | 59.1 | 27% | 0.27 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157.9 | 175.7 | 60.4 | -180 | 178 | -176.2 | 0 | 109 | A1656 E1657 D1659 | A1656-K1666 CarbonylContact C-O 3.55Å; A1656-K1666 VanDerWaalsContact CA-O 3.3Å; A1656-K1666 WeakPolarHBondContact CA-O 3.46Å; E1657-K1666 HydrophobicContact CG-CG 4.02Å; E1657-K1666 PolarHBondContact N-O 3.11Å; E1657-K1666 PolarHBondContact O-N 2.95Å; E1657-K1666 WeakPolarHBondContact OE1-CE 3.46Å; E1657-K1666 IonicContact OE1-NZ 3.46Å; D1659-K1666 HydrophobicContact CB-CD 3.99Å; D1659-K1666 IonicContact OD2-NZ 3.87Å; D1659-K1666 PolarHBondContact OD2-NZ 3.23Å |
| 1667 | C | 74.1 | Confident | 67.9 | Low | 22 Ų | 22 | 69.4 Ų | 69.4 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 138.3 | 173.5 | -64.3 | 0 | 0 | 0 | 0 | 112 | Y1671 G1673 G1675 C1679 | C1667-Y1671 VanDerWaalsContact CB-O 3.29Å; C1667-Y1671 WeakPolarHBondContact CB-O 3.49Å; C1667-G1673 WeakPolarHBondContact SG-CA 3.5Å; C1667-G1673 PolarHBondContact SG-O 3.26Å; C1667-G1675 PolarHBondContact SG-N 2.7Å; C1667-G1675 VanDerWaalsContact SG-N 3.42Å; C1667-C1679 WeakPolarHBondContact CA-SG 3.24Å; C1667-C1679 HydrophobicContact CB-CB 3.79Å; C1667-C1679 WeakPolarHBondContact CB-SG 3.26Å; C1667-C1679 WeakPolarHBondContact SG-CA 3.46Å; C1667-C1679 WeakPolarHBondContact SG-CB 3.18Å; C1667-C1679 CovalentContact SG-SG 2.04Å; C1667-C1679 PolarHBondContact SG-SG 2.87Å |
| 1668 | R | 69.5 | Low | 67.8 | Low | 73 Ų | 73 | 68.7 Ų | 68.7 | 28% | 0.275 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 147.4 | 173.4 | -71 | 174.5 | -169.5 | -139.8 | 3.8 | 109.7 | N1655 A1656 E1657 G1670 Y1671 | N1655-R1668 VanDerWaalsContact O-CB 3.32Å; N1655-R1668 WeakPolarHBondContact O-CB 3.09Å; N1655-R1668 VanDerWaalsContact O-CG 3.25Å; N1655-R1668 WeakPolarHBondContact O-CG 3.38Å; N1655-R1668 PolarHBondContact O-N 2.99Å; A1656-R1668 PolarHBondContact O-NE 3.44Å; A1656-R1668 PolarHBondContact O-NH2 2.92Å; E1657-R1668 HydrophobicContact CB-CG 3.77Å; E1657-R1668 HydrophobicContact CG-CG 3.85Å; R1668-G1670 PolarHBondContact O-N 3.41Å; R1668-G1670 VanDerWaalsContact O-N 3.12Å; R1668-Y1671 HydrophobicContact CB-CD2 4.2Å; R1668-Y1671 PolarHBondContact O-N 3.14Å |
| 1669 | S | 72.1 | Confident | 68.1 | Low | 121 Ų | 121 | 67.6 Ų | 67.6 | 85% | 0.846 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 120.9 | 179.2 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1670 | G | 64 | Low | 68.8 | Low | 9 Ų | 9 | 72.9 Ų | 72.9 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | 4.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1668 N1682 | R1668-G1670 PolarHBondContact O-N 3.41Å; R1668-G1670 VanDerWaalsContact O-N 3.12Å; G1670-N1682 VanDerWaalsContact O-CB 3.26Å; G1670-N1682 WeakPolarHBondContact O-CB 3.42Å; G1670-N1682 PolarHBondContact O-N 2.86Å |
| 1671 | Y | 74.6 | Confident | 69.7 | Low | 30 Ų | 30 | 68 Ų | 68 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.7 | 166.6 | -62.5 | -95.6 | 0 | 0 | 0 | 110.1 | N1655 C1667 R1668 Y1680 W1681 E1697 | N1655-Y1671 HydrophobicContact CB-CD1 3.64Å; N1655-Y1671 HydrophobicContact CB-CD2 3.91Å; N1655-Y1671 HydrophobicContact CB-CE1 3.79Å; N1655-Y1671 HydrophobicContact CB-CE2 4.04Å; N1655-Y1671 HydrophobicContact CB-CG 3.72Å; N1655-Y1671 VanDerWaalsContact CG-CE1 3.41Å; N1655-Y1671 WeakPolarHBondContact ND2-CE1 3.25Å; C1667-Y1671 VanDerWaalsContact CB-O 3.29Å; C1667-Y1671 WeakPolarHBondContact CB-O 3.49Å; R1668-Y1671 HydrophobicContact CB-CD2 4.2Å; R1668-Y1671 PolarHBondContact O-N 3.14Å; Y1671-Y1680 CarbonylContact C-O 3.57Å; Y1671-Y1680 WeakPolarHBondContact CA-O 3.06Å; Y1671-W1681 HydrophobicContact CE1-CB 4.41Å; Y1671-W1681 AromaticContact CE1-CE3 3.97Å; Y1671-W1681 HydrophobicContact CE1-CE3 3.97Å; Y1671-W1681 HydrophobicContact CE2-CE3 4.26Å; Y1671-W1681 HydrophobicContact CE2-CZ3 4.4Å; Y1671-W1681 AromaticContact CZ-CE3 3.83Å; Y1671-E1697 HydrophobicContact CE1-CG 4.41Å |
| 1672 | D | 73.2 | Confident | 70.8 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.1 | 172 | -71.2 | -31.9 | 0 | 0 | 0 | 109.6 | Y1680 N1682 | D1672-Y1680 PolarHBondContact N-O 2.93Å; D1672-Y1680 PolarHBondContact O-N 2.99Å; D1672-N1682 HydrophobicContact CB-CB 4.39Å; D1672-N1682 VanDerWaalsContact CG-CG 3.43Å; D1672-N1682 VanDerWaalsContact CG-ND2 3.3Å; D1672-N1682 VanDerWaalsContact OD1-CG 3.28Å; D1672-N1682 PolarHBondContact OD1-ND2 2.73Å; D1672-N1682 WeakPolarHBondContact OD2-CA 3.09Å; D1672-N1682 WeakPolarHBondContact OD2-CB 3.26Å; D1672-N1682 PolarHBondContact OD2-ND2 3Å |
| 1673 | G | 75.6 | Confident | 71.2 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.9 | -174.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | C1667 G1678 | C1667-G1673 WeakPolarHBondContact SG-CA 3.5Å; C1667-G1673 PolarHBondContact SG-O 3.26Å; G1673-G1678 VanDerWaalsContact CA-O 3.31Å; G1673-G1678 WeakPolarHBondContact CA-O 3.29Å |
| 1674 | D | 68.6 | Low | 71.9 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | trans | -88.9 | -23.4 | -175 | 59.2 | 4.2 | 0 | 0 | 0 | 114 | E1676 R1677 G1678 | D1674-E1676 PolarHBondContact OD1-N 2.96Å; D1674-R1677 PolarHBondContact OD1-N 3.32Å; D1674-R1677 WeakPolarHBondContact OD2-CB 3.45Å; D1674-R1677 WeakPolarHBondContact OD2-CD 3.1Å; D1674-R1677 WeakPolarHBondContact OD2-CG 3.43Å; D1674-R1677 PolarHBondContact OD2-N 3Å; D1674-G1678 PolarHBondContact N-O 2.8Å; D1674-G1678 PolarHBondContact OD1-N 2.87Å; D1674-G1678 VanDerWaalsContact OD1-N 3.07Å | ||
| 1675 | G | 67.1 | Low | 72.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 95.7 | -13 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1656 C1667 C1679 | A1656-G1675 WeakPolarHBondContact CB-O 3.44Å; C1667-G1675 PolarHBondContact SG-N 2.7Å; C1667-G1675 VanDerWaalsContact SG-N 3.42Å; G1675-C1679 VanDerWaalsContact CA-SG 3.59Å |
| 1676 | E | 65.8 | Low | 72.6 | Confident | 107 Ų | 107 | 63.8 Ų | 63.8 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -123.5 | -39.9 | -170.7 | -71.9 | -67.6 | -178.9 | 0 | 0 | 113.5 | T1653 C1665 D1674 | T1653-E1676 WeakPolarHBondContact CB-O 3.29Å; T1653-E1676 VanDerWaalsContact OG1-C 3.3Å; T1653-E1676 PolarHBondContact OG1-O 2.89Å; C1665-E1676 HydrophobicContact CB-CG 4.29Å; C1665-E1676 VanDerWaalsContact CB-OE1 3.32Å; C1665-E1676 WeakPolarHBondContact CB-OE1 3.44Å; D1674-E1676 PolarHBondContact OD1-N 2.96Å |
| 1677 | R | 66.6 | Low | 72.6 | Confident | 221 Ų | 221 | 63.4 Ų | 63.4 | 83% | 0.834 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -97.1 | -32.5 | 174 | -58.2 | 173.7 | 175.4 | 178 | 1 | 112.8 | D1674 | D1674-R1677 PolarHBondContact OD1-N 3.32Å; D1674-R1677 WeakPolarHBondContact OD2-CB 3.45Å; D1674-R1677 WeakPolarHBondContact OD2-CD 3.1Å; D1674-R1677 WeakPolarHBondContact OD2-CG 3.43Å; D1674-R1677 PolarHBondContact OD2-N 3Å |
| 1678 | G | 68.1 | Low | 72.5 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 9% | 0.093 | 35% | 0.354 | C | S | . | . | trans | -175.8 | 142.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1673 D1674 | G1673-G1678 VanDerWaalsContact CA-O 3.31Å; G1673-G1678 WeakPolarHBondContact CA-O 3.29Å; D1674-G1678 PolarHBondContact N-O 2.8Å; D1674-G1678 PolarHBondContact OD1-N 2.87Å; D1674-G1678 VanDerWaalsContact OD1-N 3.07Å | ||
| 1679 | C | 74.1 | Confident | 72.6 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.054 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 110 | 168.3 | -65.3 | 0 | 0 | 0 | 0 | 110 | R1654 N1655 C1667 G1675 | R1654-C1679 WeakPolarHBondContact O-CB 3.29Å; N1655-C1679 HydrophobicContact CB-CB 3.94Å; C1667-C1679 WeakPolarHBondContact CA-SG 3.24Å; C1667-C1679 HydrophobicContact CB-CB 3.79Å; C1667-C1679 WeakPolarHBondContact CB-SG 3.26Å; C1667-C1679 WeakPolarHBondContact SG-CA 3.46Å; C1667-C1679 WeakPolarHBondContact SG-CB 3.18Å; C1667-C1679 CovalentContact SG-SG 2.04Å; C1667-C1679 PolarHBondContact SG-SG 2.87Å; G1675-C1679 VanDerWaalsContact CA-SG 3.59Å |
| 1680 | Y | 77.1 | Confident | 73 | Confident | 140 Ų | 140 | 61.9 Ų | 61.9 | 55% | 0.549 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 148.3 | -174.9 | -50.7 | -83.2 | 0 | 0 | 0 | 110 | Y1671 D1672 N1682 | Y1671-Y1680 CarbonylContact C-O 3.57Å; Y1671-Y1680 WeakPolarHBondContact CA-O 3.06Å; D1672-Y1680 PolarHBondContact N-O 2.93Å; D1672-Y1680 PolarHBondContact O-N 2.99Å; Y1680-N1682 PolarHBondContact O-N 2.95Å |
| 1681 | W | 74.7 | Confident | 73.6 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 13% | 0.129 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 124.9 | -179.2 | 179.9 | -113.8 | 0 | 0 | 0 | 111.8 | Y1671 C1683 C1692 E1697 Q1710 | Y1671-W1681 HydrophobicContact CE1-CB 4.41Å; Y1671-W1681 AromaticContact CE1-CE3 3.97Å; Y1671-W1681 HydrophobicContact CE1-CE3 3.97Å; Y1671-W1681 HydrophobicContact CE2-CE3 4.26Å; Y1671-W1681 HydrophobicContact CE2-CZ3 4.4Å; Y1671-W1681 AromaticContact CZ-CE3 3.83Å; W1681-C1683 PolarHBondContact O-N 2.98Å; W1681-C1683 VanDerWaalsContact O-N 3.11Å; W1681-C1692 VanDerWaalsContact CD1-SG 3.58Å; W1681-E1697 HydrophobicContact CB-CB 4.4Å; W1681-Q1710 VanDerWaalsContact CH2-NE2 3.28Å |
| 1682 | N | 78.5 | Confident | 73.9 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | trans | -74.8 | 99.8 | -177.4 | 176.1 | -34.9 | 0 | 0 | 0 | 109.1 | G1670 D1672 Y1680 K1684 L1685 | G1670-N1682 VanDerWaalsContact O-CB 3.26Å; G1670-N1682 WeakPolarHBondContact O-CB 3.42Å; G1670-N1682 PolarHBondContact O-N 2.86Å; D1672-N1682 HydrophobicContact CB-CB 4.39Å; D1672-N1682 VanDerWaalsContact CG-CG 3.43Å; D1672-N1682 VanDerWaalsContact CG-ND2 3.3Å; D1672-N1682 VanDerWaalsContact OD1-CG 3.28Å; D1672-N1682 PolarHBondContact OD1-ND2 2.73Å; D1672-N1682 WeakPolarHBondContact OD2-CA 3.09Å; D1672-N1682 WeakPolarHBondContact OD2-CB 3.26Å; D1672-N1682 PolarHBondContact OD2-ND2 3Å; Y1680-N1682 PolarHBondContact O-N 2.95Å; N1682-K1684 PolarHBondContact O-N 3.05Å; N1682-K1684 WeakPolarHBondContact OD1-CA 3.48Å; N1682-K1684 WeakPolarHBondContact OD1-CB 3.22Å; N1682-K1684 PolarHBondContact OD1-N 2.96Å; N1682-L1685 HydrophobicContact CB-CG 4.4Å; N1682-L1685 WeakPolarHBondContact O-CB 3.28Å; N1682-L1685 PolarHBondContact O-N 3.42Å; N1682-L1685 VanDerWaalsContact O-N 3.09Å; N1682-L1685 PolarHBondContact OD1-N 2.72Å | ||
| 1683 | C | 73.9 | Confident | 74 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -67.3 | -13.2 | 178.1 | -61.4 | 0 | 0 | 0 | 0 | 113.7 | W1681 L1685 C1686 C1692 | W1681-C1683 PolarHBondContact O-N 2.98Å; W1681-C1683 VanDerWaalsContact O-N 3.11Å; C1683-L1685 VanDerWaalsContact C-N 3.27Å; C1683-C1686 VanDerWaalsContact O-CB 3.28Å; C1683-C1686 WeakPolarHBondContact O-CB 3.47Å; C1683-C1686 PolarHBondContact O-N 2.94Å; C1683-C1686 VanDerWaalsContact O-N 3.11Å; C1683-C1692 VanDerWaalsContact CA-SG 3.5Å; C1683-C1692 HydrophobicContact CB-CB 3.62Å; C1683-C1692 WeakPolarHBondContact CB-SG 3.47Å; C1683-C1692 WeakPolarHBondContact SG-CB 3.07Å; C1683-C1692 CovalentContact SG-SG 2.04Å; C1683-C1692 PolarHBondContact SG-SG 2.83Å |
| 1684 | K | 76.3 | Confident | 73.4 | Confident | 174 Ų | 174 | 69.8 Ų | 69.8 | 76% | 0.757 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -75.7 | -15.3 | 172.7 | -46.4 | 171.8 | -178.1 | 170.5 | 0 | 111.9 | N1682 C1686 | N1682-K1684 PolarHBondContact O-N 3.05Å; N1682-K1684 WeakPolarHBondContact OD1-CA 3.48Å; N1682-K1684 WeakPolarHBondContact OD1-CB 3.22Å; N1682-K1684 PolarHBondContact OD1-N 2.96Å; K1684-C1686 VanDerWaalsContact C-N 3.29Å |
| 1685 | L | 74.5 | Confident | 73 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 40% | 0.403 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -73.6 | -19.6 | 163.6 | -72.2 | -160.1 | 0 | 0 | 0 | 112.8 | N1682 C1683 Q1710 | N1682-L1685 HydrophobicContact CB-CG 4.4Å; N1682-L1685 WeakPolarHBondContact O-CB 3.28Å; N1682-L1685 PolarHBondContact O-N 3.42Å; N1682-L1685 VanDerWaalsContact O-N 3.09Å; N1682-L1685 PolarHBondContact OD1-N 2.72Å; C1683-L1685 VanDerWaalsContact C-N 3.27Å; L1685-Q1710 VanDerWaalsContact O-CA 3.22Å; L1685-Q1710 WeakPolarHBondContact O-CA 3.06Å; L1685-Q1710 WeakPolarHBondContact O-CB 3.37Å |
| 1686 | C | 78.3 | Confident | 72.9 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 10% | 0.101 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -72.2 | 136.6 | 174.6 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | C1683 K1684 A1690 C1699 G1709 | C1683-C1686 VanDerWaalsContact O-CB 3.28Å; C1683-C1686 WeakPolarHBondContact O-CB 3.47Å; C1683-C1686 PolarHBondContact O-N 2.94Å; C1683-C1686 VanDerWaalsContact O-N 3.11Å; K1684-C1686 VanDerWaalsContact C-N 3.29Å; C1686-A1690 HydrophobicContact CB-CB 4.2Å; C1686-C1699 WeakPolarHBondContact CA-SG 3.33Å; C1686-C1699 HydrophobicContact CB-CB 3.76Å; C1686-C1699 WeakPolarHBondContact CB-SG 3.36Å; C1686-C1699 WeakPolarHBondContact SG-CB 3.04Å; C1686-C1699 CovalentContact SG-SG 2.04Å; C1686-C1699 PolarHBondContact SG-SG 3.35Å; C1686-G1709 CarbonylContact C-O 3.59Å; C1686-G1709 WeakPolarHBondContact CA-O 3.12Å |
| 1687 | H | 77.7 | Confident | 73.1 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 26% | 0.255 | 37% | 0.374 | S | S | . | . | trans | -55.7 | 142.6 | 170.8 | -178 | -98.7 | 0 | 0 | 0 | 109.1 | S1689 A1690 G1709 Q1710 C1713 | H1687-S1689 PolarHBondContact ND1-N 3.41Å; H1687-S1689 PolarHBondContact O-N 3.15Å; H1687-A1690 VanDerWaalsContact O-CB 3.27Å; H1687-A1690 WeakPolarHBondContact O-CB 3.07Å; H1687-A1690 PolarHBondContact O-N 3.03Å; H1687-G1709 PolarHBondContact N-O 3.3Å; H1687-Q1710 WeakPolarHBondContact CB-O 3.29Å; H1687-Q1710 PolarHBondContact N-O 3.18Å; H1687-C1713 PolarHBondContact CE1-O 3.39Å; H1687-C1713 PolarHBondContact ND1-N 2.89Å; H1687-C1713 VanDerWaalsContact ND1-N 3.1Å | ||
| 1688 | S | 73 | Confident | 73.2 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 84% | 0.839 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -5.8 | -174.3 | 61.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1689 | S | 71.4 | Confident | 73.4 | Confident | 40 Ų | 40 | 72 Ų | 72 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 18.4 | 173.2 | -42.4 | 0 | 0 | 0 | 0 | 113.2 | H1687 P1702 | H1687-S1689 PolarHBondContact ND1-N 3.41Å; H1687-S1689 PolarHBondContact O-N 3.15Å; S1689-P1702 WeakPolarHBondContact O-CD 3Å; S1689-P1702 VanDerWaalsContact O-CG 3.32Å; S1689-P1702 WeakPolarHBondContact O-CG 3.05Å |
| 1690 | A | 79.1 | Confident | 73.5 | Confident | 23 Ų | 23 | 74.3 Ų | 74.3 | 19% | 0.19 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -109.9 | 150.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1686 H1687 C1699 I1700 G1709 C1713 | C1686-A1690 HydrophobicContact CB-CB 4.2Å; H1687-A1690 VanDerWaalsContact O-CB 3.27Å; H1687-A1690 WeakPolarHBondContact O-CB 3.07Å; H1687-A1690 PolarHBondContact O-N 3.03Å; A1690-C1699 HydrophobicContact CB-CB 4.44Å; A1690-I1700 CarbonylContact C-O 3.52Å; A1690-I1700 WeakPolarHBondContact CA-O 3.49Å; A1690-G1709 VanDerWaalsContact CB-O 3.25Å; A1690-G1709 WeakPolarHBondContact CB-O 3.03Å; A1690-C1713 VanDerWaalsContact CB-SG 3.58Å |
| 1691 | I | 78.2 | Confident | 73.1 | Confident | 99 Ų | 99 | 69 Ų | 69 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 128.3 | 170.3 | -58.3 | 176 | 0 | 0 | 0 | 108.2 | I1700 P1702 | I1691-I1700 HydrophobicContact CB-CB 4.49Å; I1691-I1700 PolarHBondContact N-O 2.99Å; I1691-I1700 PolarHBondContact O-N 3.18Å; I1691-P1702 HydrophobicContact CD1-CB 4.03Å; I1691-P1702 HydrophobicContact CG1-CB 4.28Å |
| 1692 | C | 79.8 | Confident | 72.9 | Confident | 39 Ų | 39 | 69 Ų | 69 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 117.7 | 173.8 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | W1681 C1683 | W1681-C1692 VanDerWaalsContact CD1-SG 3.58Å; C1683-C1692 VanDerWaalsContact CA-SG 3.5Å; C1683-C1692 HydrophobicContact CB-CB 3.62Å; C1683-C1692 WeakPolarHBondContact CB-SG 3.47Å; C1683-C1692 WeakPolarHBondContact SG-CB 3.07Å; C1683-C1692 CovalentContact SG-SG 2.04Å; C1683-C1692 PolarHBondContact SG-SG 2.83Å |
| 1693 | D | 75 | Confident | 71.9 | Confident | 27 Ų | 27 | 74 Ų | 74 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 98.1 | 174.4 | 175.1 | -11.4 | 0 | 0 | 0 | 108.2 | E1695 N1696 E1697 R1698 I1700 | D1693-E1695 PolarHBondContact OD1-N 3.3Å; D1693-N1696 WeakPolarHBondContact OD1-CB 3.34Å; D1693-N1696 PolarHBondContact OD1-N 2.82Å; D1693-N1696 PolarHBondContact OD1-ND2 3.23Å; D1693-N1696 PolarHBondContact OD2-ND2 2.63Å; D1693-N1696 VanDerWaalsContact OD2-ND2 3.11Å; D1693-E1697 PolarHBondContact O-N 2.79Å; D1693-E1697 VanDerWaalsContact O-N 3.12Å; D1693-R1698 HydrophobicContact CB-CG 3.77Å; D1693-R1698 PolarHBondContact N-O 2.82Å; D1693-R1698 PolarHBondContact O-N 3.32Å; D1693-R1698 IonicContact OD2-CZ 2.74Å; D1693-R1698 IonicContact OD2-NE 3.49Å; D1693-R1698 PolarHBondContact OD2-NE 2.91Å; D1693-R1698 IonicContact OD2-NH2 2.63Å; D1693-R1698 PolarHBondContact OD2-NH2 3.06Å; D1693-I1700 HydrophobicContact CB-CD1 3.77Å; D1693-I1700 HydrophobicContact CB-CG1 4.29Å |
| 1694 | R | 62.7 | Low | 71.1 | Confident | 144 Ų | 144 | 74.1 Ų | 74.1 | 54% | 0.543 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -28.4 | -175.1 | -87.9 | -174.7 | 158.7 | -175.2 | -5.6 | 113.9 | N1696 | R1694-N1696 VanDerWaalsContact C-N 3.34Š|
| 1695 | E | 61.4 | Low | 70.9 | Confident | 180 Ų | 180 | 68.7 Ų | 68.7 | 84% | 0.841 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -34.8 | 178 | -65.3 | -167.4 | 153.1 | 0 | 0 | 111.3 | D1693 | D1693-E1695 PolarHBondContact OD1-N 3.3Š|
| 1696 | N | 65.1 | Low | 70.1 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 52% | 0.524 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 17.5 | -179 | -53.3 | -89.2 | 0 | 0 | 0 | 113.3 | D1693 R1694 R1698 | D1693-N1696 WeakPolarHBondContact OD1-CB 3.34Å; D1693-N1696 PolarHBondContact OD1-N 2.82Å; D1693-N1696 PolarHBondContact OD1-ND2 3.23Å; D1693-N1696 PolarHBondContact OD2-ND2 2.63Å; D1693-N1696 VanDerWaalsContact OD2-ND2 3.11Å; R1694-N1696 VanDerWaalsContact C-N 3.34Å; N1696-R1698 VanDerWaalsContact C-N 3.33Å; N1696-R1698 HydrophobicContact CB-CG 4.26Å; N1696-R1698 PolarHBondContact O-N 2.04Å |
| 1697 | E | 68.5 | Low | 69.5 | Low | 28 Ų | 28 | 71.3 Ų | 71.3 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 43.5 | 172.9 | -56.1 | -177.5 | 139.4 | 0 | 0 | 114.5 | R1654 N1655 Y1671 W1681 D1693 S2059 | R1654-E1697 IonicContact CZ-OE1 2.67Å; R1654-E1697 IonicContact NE-OE1 3.38Å; R1654-E1697 PolarHBondContact NE-OE1 2.81Å; R1654-E1697 IonicContact NH2-OE1 3.22Å; R1654-E1697 PolarHBondContact NH2-OE1 3.11Å; R1654-E1697 IonicContact NH2-OE2 2.62Å; N1655-E1697 PolarHBondContact ND2-OE1 3.1Å; Y1671-E1697 HydrophobicContact CE1-CG 4.41Å; W1681-E1697 HydrophobicContact CB-CB 4.4Å; D1693-E1697 PolarHBondContact O-N 2.79Å; D1693-E1697 VanDerWaalsContact O-N 3.12Å; E1697-S2059 WeakPolarHBondContact OE2-CB 3.28Å; E1697-S2059 PolarHBondContact OE2-OG 3.47Å |
| 1698 | R | 68.8 | Low | 68.8 | Low | 126 Ų | 126 | 72.1 Ų | 72.1 | 48% | 0.475 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.1 | -171.9 | 67.5 | -177.1 | 177 | 158.4 | 0.5 | 114.9 | D1693 N1696 I1700 | D1693-R1698 HydrophobicContact CB-CG 3.77Å; D1693-R1698 PolarHBondContact N-O 2.82Å; D1693-R1698 PolarHBondContact O-N 3.32Å; D1693-R1698 IonicContact OD2-CZ 2.74Å; D1693-R1698 IonicContact OD2-NE 3.49Å; D1693-R1698 PolarHBondContact OD2-NE 2.91Å; D1693-R1698 IonicContact OD2-NH2 2.63Å; D1693-R1698 PolarHBondContact OD2-NH2 3.06Å; N1696-R1698 VanDerWaalsContact C-N 3.33Å; N1696-R1698 HydrophobicContact CB-CG 4.26Å; N1696-R1698 PolarHBondContact O-N 2.04Å; R1698-I1700 HydrophobicContact CG-CD1 4.46Å; R1698-I1700 HydrophobicContact CG-CG1 4.11Å |
| 1699 | C | 74.3 | Confident | 68.7 | Low | 17 Ų | 17 | 66.4 Ų | 66.4 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.8 | 169.6 | -53.9 | 0 | 0 | 0 | 0 | 109.9 | C1686 A1690 G1709 Q1710 | C1686-C1699 WeakPolarHBondContact CA-SG 3.33Å; C1686-C1699 HydrophobicContact CB-CB 3.76Å; C1686-C1699 WeakPolarHBondContact CB-SG 3.36Å; C1686-C1699 WeakPolarHBondContact SG-CB 3.04Å; C1686-C1699 CovalentContact SG-SG 2.04Å; C1686-C1699 PolarHBondContact SG-SG 3.35Å; A1690-C1699 HydrophobicContact CB-CB 4.44Å; C1699-G1709 WeakPolarHBondContact CB-O 3.03Å; C1699-Q1710 HydrophobicContact CB-CG 4.09Å |
| 1700 | I | 74.9 | Confident | 68.2 | Low | 58 Ų | 58 | 67.8 Ų | 67.8 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 120.9 | -173.7 | -49.3 | 175.7 | 0 | 0 | 0 | 109.1 | A1690 I1691 D1693 R1698 | A1690-I1700 CarbonylContact C-O 3.52Å; A1690-I1700 WeakPolarHBondContact CA-O 3.49Å; I1691-I1700 HydrophobicContact CB-CB 4.49Å; I1691-I1700 PolarHBondContact N-O 2.99Å; I1691-I1700 PolarHBondContact O-N 3.18Å; D1693-I1700 HydrophobicContact CB-CD1 3.77Å; D1693-I1700 HydrophobicContact CB-CG1 4.29Å; R1698-I1700 HydrophobicContact CG-CD1 4.46Å; R1698-I1700 HydrophobicContact CG-CG1 4.11Å |
| 1701 | C | 69.8 | Low | 67.5 | Low | 27 Ų | 27 | 71.9 Ų | 71.9 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | trans | -67.5 | 127.2 | 168.9 | -66 | 0 | 0 | 0 | 0 | 110.2 | G1707 C1713 | C1701-G1707 PolarHBondContact SG-N 2.96Å; C1701-C1713 WeakPolarHBondContact CA-SG 3.38Å; C1701-C1713 HydrophobicContact CB-CB 4.02Å; C1701-C1713 WeakPolarHBondContact CB-SG 3.29Å; C1701-C1713 VanDerWaalsContact SG-CA 3.56Å; C1701-C1713 WeakPolarHBondContact SG-CB 3.4Å; C1701-C1713 CovalentContact SG-SG 2.04Å; C1701-C1713 PolarHBondContact SG-SG 3.08Å | ||
| 1702 | P | 69.5 | Low | 66.9 | Low | 36 Ų | 36 | 70.6 Ų | 70.6 | 23% | 0.234 | 37% | 0.374 | C | S | . | . | trans | -68.8 | 160.1 | 179.3 | 29.8 | -35.1 | 0 | 0 | 0 | 111.4 | S1689 I1691 G1704 Y1705 | S1689-P1702 WeakPolarHBondContact O-CD 3Å; S1689-P1702 VanDerWaalsContact O-CG 3.32Å; S1689-P1702 WeakPolarHBondContact O-CG 3.05Å; I1691-P1702 HydrophobicContact CD1-CB 4.03Å; I1691-P1702 HydrophobicContact CG1-CB 4.28Å; P1702-G1704 PolarHBondContact O-N 3.26Å; P1702-Y1705 HydrophobicContact CG-CD2 3.9Å; P1702-Y1705 HydrophobicContact CG-CE2 4.43Å; P1702-Y1705 HydrophobicContact CG-CG 4.34Å; P1702-Y1705 WeakPolarHBondContact O-CB 3.27Å; P1702-Y1705 PolarHBondContact O-N 3.46Å | ||
| 1703 | S | 58.6 | Low | 65.9 | Low | 128 Ų | 128 | 69 Ų | 69 | 90% | 0.895 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | 120.3 | -177.7 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1704 | G | 56 | Low | 65.5 | Low | 45 Ų | 45 | 72.2 Ų | 72.2 | 46% | 0.464 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -1.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1702 I1716 | P1702-G1704 PolarHBondContact O-N 3.26Å; G1704-I1716 WeakPolarHBondContact O-CG1 3.36Å; G1704-I1716 PolarHBondContact O-N 2.73Å |
| 1705 | Y | 73.3 | Confident | 64.9 | Low | 61 Ų | 61 | 73.5 Ų | 73.5 | 24% | 0.239 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 149.5 | 168.3 | -68 | -108.6 | 0 | 0 | 0 | 110.1 | P1702 C1713 E1714 R1715 | P1702-Y1705 HydrophobicContact CG-CD2 3.9Å; P1702-Y1705 HydrophobicContact CG-CE2 4.43Å; P1702-Y1705 HydrophobicContact CG-CG 4.34Å; P1702-Y1705 WeakPolarHBondContact O-CB 3.27Å; P1702-Y1705 PolarHBondContact O-N 3.46Å; Y1705-C1713 HydrophobicContact CD1-CB 4.17Å; Y1705-C1713 WeakPolarHBondContact CD1-O 3.41Å; Y1705-E1714 WeakPolarHBondContact CA-O 3.16Å; Y1705-R1715 VanDerWaalsContact CD1-CA 3.43Å; Y1705-R1715 HydrophobicContact CD1-CB 3.87Å; Y1705-R1715 HydrophobicContact CE1-CB 3.59Å; Y1705-R1715 HydrophobicContact CE1-CG 4.18Å; Y1705-R1715 HydrophobicContact CE2-CG 4.3Å; Y1705-R1715 HydrophobicContact CG-CB 4.46Å; Y1705-R1715 PolarHBondContact OH-NE 2.75Å; Y1705-R1715 PolarHBondContact OH-NH2 2.03Å |
| 1706 | R | 56.3 | Low | 64.5 | Low | 109 Ų | 109 | 69.1 Ų | 69.1 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 148.3 | 170.3 | 78.5 | -179.2 | -154.2 | -53.8 | -10.8 | 109.9 | E1714 I1716 | R1706-E1714 IonicContact CZ-OE2 4Å; R1706-E1714 PolarHBondContact N-O 2.88Å; R1706-E1714 IonicContact NH1-OE2 3.3Å; R1706-E1714 PolarHBondContact NH1-OE2 3.38Å; R1706-E1714 IonicContact NH2-OE2 2.73Å; R1706-E1714 PolarHBondContact NH2-OE2 3.43Å; R1706-E1714 PolarHBondContact O-N 2.83Å; R1706-I1716 HydrophobicContact CB-CD1 4.42Å; R1706-I1716 HydrophobicContact CB-CG1 3.94Å; R1706-I1716 HydrophobicContact CG-CG1 4.2Å |
| 1707 | G | 65.9 | Low | 63.5 | Low | 38 Ų | 38 | 68 Ų | 68 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 155 | -171.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1701 G1709 F1712 | C1701-G1707 PolarHBondContact SG-N 2.96Å; G1707-G1709 VanDerWaalsContact C-N 3.31Å; G1707-F1712 VanDerWaalsContact CA-CE2 3.42Å; G1707-F1712 VanDerWaalsContact CA-O 3.31Å; G1707-F1712 WeakPolarHBondContact CA-O 3.38Å |
| 1708 | D | 63.9 | Low | 61.8 | Low | 71 Ų | 71 | 73.1 Ų | 73.1 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | trans | -84.1 | -7.9 | 177.3 | 62.8 | -6.9 | 0 | 0 | 0 | 112.9 | Q1710 T1711 F1712 | D1708-Q1710 PolarHBondContact O-N 2.82Å; D1708-Q1710 PolarHBondContact OD1-N 2.82Å; D1708-T1711 VanDerWaalsContact CG-N 3.31Å; D1708-T1711 VanDerWaalsContact CG-OG1 3.32Å; D1708-T1711 PolarHBondContact OD1-N 3.13Å; D1708-T1711 PolarHBondContact OD1-OG1 3.03Å; D1708-T1711 WeakPolarHBondContact OD2-CB 3.36Å; D1708-T1711 WeakPolarHBondContact OD2-CG2 3.01Å; D1708-T1711 PolarHBondContact OD2-N 3.19Å; D1708-T1711 PolarHBondContact OD2-OG1 3.08Å; D1708-F1712 PolarHBondContact N-O 3.08Å; D1708-F1712 PolarHBondContact OD1-N 2.71Å; D1708-F1712 VanDerWaalsContact OD1-O 3.06Å | ||
| 1709 | G | 70 | Confident | 60.2 | Low | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 80.4 | -7.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1686 H1687 A1690 C1699 G1707 F1712 | C1686-G1709 CarbonylContact C-O 3.59Å; C1686-G1709 WeakPolarHBondContact CA-O 3.12Å; H1687-G1709 PolarHBondContact N-O 3.3Å; A1690-G1709 VanDerWaalsContact CB-O 3.25Å; A1690-G1709 WeakPolarHBondContact CB-O 3.03Å; C1699-G1709 WeakPolarHBondContact CB-O 3.03Å; G1707-G1709 VanDerWaalsContact C-N 3.31Å; G1709-F1712 PolarHBondContact N-O 2.82Å |
| 1710 | Q | 60.3 | Low | 58.2 | Low | 69 Ų | 69 | 84.5 Ų | 84.5 | 32% | 0.322 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -121.1 | -67.4 | -171.7 | -70.7 | -168.8 | -49.7 | 0 | 0 | 112.7 | W1681 L1685 H1687 C1699 D1708 | W1681-Q1710 VanDerWaalsContact CH2-NE2 3.28Å; L1685-Q1710 VanDerWaalsContact O-CA 3.22Å; L1685-Q1710 WeakPolarHBondContact O-CA 3.06Å; L1685-Q1710 WeakPolarHBondContact O-CB 3.37Å; H1687-Q1710 WeakPolarHBondContact CB-O 3.29Å; H1687-Q1710 PolarHBondContact N-O 3.18Å; C1699-Q1710 HydrophobicContact CB-CG 4.09Å; D1708-Q1710 PolarHBondContact O-N 2.82Å; D1708-Q1710 PolarHBondContact OD1-N 2.82Å |
| 1711 | T | 65.4 | Low | 56.5 | Low | 109 Ų | 109 | 88.5 Ų | 88.5 | 67% | 0.669 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -77 | -31 | 177.5 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | D1708 | D1708-T1711 VanDerWaalsContact CG-N 3.31Å; D1708-T1711 VanDerWaalsContact CG-OG1 3.32Å; D1708-T1711 PolarHBondContact OD1-N 3.13Å; D1708-T1711 PolarHBondContact OD1-OG1 3.03Å; D1708-T1711 WeakPolarHBondContact OD2-CB 3.36Å; D1708-T1711 WeakPolarHBondContact OD2-CG2 3.01Å; D1708-T1711 PolarHBondContact OD2-N 3.19Å; D1708-T1711 PolarHBondContact OD2-OG1 3.08Å |
| 1712 | F | 64.7 | Low | 55.8 | Low | 73 Ų | 73 | 90 Ų | 90 | 32% | 0.32 | 47% | 0.474 | S | S | . | . | trans | -153.3 | 146.7 | 170.2 | 71.5 | -72.9 | 0 | 0 | 0 | 113.7 | G1707 D1708 G1709 E1714 | G1707-F1712 VanDerWaalsContact CA-CE2 3.42Å; G1707-F1712 VanDerWaalsContact CA-O 3.31Å; G1707-F1712 WeakPolarHBondContact CA-O 3.38Å; D1708-F1712 PolarHBondContact N-O 3.08Å; D1708-F1712 PolarHBondContact OD1-N 2.71Å; D1708-F1712 VanDerWaalsContact OD1-O 3.06Å; G1709-F1712 PolarHBondContact N-O 2.82Å; F1712-E1714 HydrophobicContact CD2-CB 3.96Å; F1712-E1714 HydrophobicContact CD2-CG 3.81Å; F1712-E1714 HydrophobicContact CE2-CB 4.46Å | ||
| 1713 | C | 59.8 | Low | 55.4 | Low | 4 Ų | 4 | 89.9 Ų | 89.9 | 3% | 0.027 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 99.1 | 145.3 | -73.4 | 0 | 0 | 0 | 0 | 107 | H1687 A1690 C1701 Y1705 | H1687-C1713 PolarHBondContact CE1-O 3.39Å; H1687-C1713 PolarHBondContact ND1-N 2.89Å; H1687-C1713 VanDerWaalsContact ND1-N 3.1Å; A1690-C1713 VanDerWaalsContact CB-SG 3.58Å; C1701-C1713 WeakPolarHBondContact CA-SG 3.38Å; C1701-C1713 HydrophobicContact CB-CB 4.02Å; C1701-C1713 WeakPolarHBondContact CB-SG 3.29Å; C1701-C1713 VanDerWaalsContact SG-CA 3.56Å; C1701-C1713 WeakPolarHBondContact SG-CB 3.4Å; C1701-C1713 CovalentContact SG-SG 2.04Å; C1701-C1713 PolarHBondContact SG-SG 3.08Å; Y1705-C1713 HydrophobicContact CD1-CB 4.17Å; Y1705-C1713 WeakPolarHBondContact CD1-O 3.41Å |
| 1714 | E | 66.2 | Low | 56 | Low | 96 Ų | 96 | 90.4 Ų | 90.4 | 45% | 0.449 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 126.3 | 171.5 | -83.2 | -175.3 | 162.2 | 0 | 0 | 108.5 | Y1705 R1706 F1712 I1716 | Y1705-E1714 WeakPolarHBondContact CA-O 3.16Å; R1706-E1714 IonicContact CZ-OE2 4Å; R1706-E1714 PolarHBondContact N-O 2.88Å; R1706-E1714 IonicContact NH1-OE2 3.3Å; R1706-E1714 PolarHBondContact NH1-OE2 3.38Å; R1706-E1714 IonicContact NH2-OE2 2.73Å; R1706-E1714 PolarHBondContact NH2-OE2 3.43Å; R1706-E1714 PolarHBondContact O-N 2.83Å; F1712-E1714 HydrophobicContact CD2-CB 3.96Å; F1712-E1714 HydrophobicContact CD2-CG 3.81Å; F1712-E1714 HydrophobicContact CE2-CB 4.46Å; E1714-I1716 PolarHBondContact O-N 3.14Å; E1714-I1716 VanDerWaalsContact O-N 3.17Å |
| 1715 | R | 50.9 | Low | 57.2 | Low | 170 Ų | 170 | 88.9 Ų | 88.9 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 125.2 | 165.9 | -166.2 | -179.2 | -59.9 | -174.3 | 4.1 | 107.3 | Y1705 P1717 | Y1705-R1715 VanDerWaalsContact CD1-CA 3.43Å; Y1705-R1715 HydrophobicContact CD1-CB 3.87Å; Y1705-R1715 HydrophobicContact CE1-CB 3.59Å; Y1705-R1715 HydrophobicContact CE1-CG 4.18Å; Y1705-R1715 HydrophobicContact CE2-CG 4.3Å; Y1705-R1715 HydrophobicContact CG-CB 4.46Å; Y1705-R1715 PolarHBondContact OH-NE 2.75Å; Y1705-R1715 PolarHBondContact OH-NH2 2.03Å; R1715-P1717 WeakPolarHBondContact O-CD 3.46Å |
| 1716 | I | 53.3 | Low | 57.6 | Low | 88 Ų | 88 | 94 Ų | 94 | 45% | 0.451 | 46% | 0.458 | S | S | . | . | trans | -54.2 | 114.8 | -175.3 | -66.2 | 170.7 | 0 | 0 | 0 | 107.3 | G1704 R1706 E1714 V1718 | G1704-I1716 WeakPolarHBondContact O-CG1 3.36Å; G1704-I1716 PolarHBondContact O-N 2.73Å; R1706-I1716 HydrophobicContact CB-CD1 4.42Å; R1706-I1716 HydrophobicContact CB-CG1 3.94Å; R1706-I1716 HydrophobicContact CG-CG1 4.2Å; E1714-I1716 PolarHBondContact O-N 3.14Å; E1714-I1716 VanDerWaalsContact O-N 3.17Å; I1716-V1718 PolarHBondContact O-N 3.02Å | ||
| 1717 | P | 42.6 | Very low | 59 | Low | 75 Ų | 75 | 89.3 Ų | 89.3 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | trans | -65.4 | 108.9 | -163.2 | -27.2 | 36.1 | 0 | 0 | 0 | 111.5 | R1715 R1719 | R1715-P1717 WeakPolarHBondContact O-CD 3.46Å; P1717-R1719 HydrophobicContact CB-CG 4.26Å; P1717-R1719 PolarHBondContact O-N 2.96Å | ||
| 1718 | V | 33.3 | Very low | 59.3 | Low | 135 Ų | 135 | 93 Ų | 93 | 82% | 0.818 | 45% | 0.449 | S | S | * | . | trans | -74.5 | 55.8 | 169.6 | -165.7 | 0 | 0 | 0 | 0 | 109.1 | I1716 Q1720 | I1716-V1718 PolarHBondContact O-N 3.02Å; V1718-Q1720 PolarHBondContact O-N 2.99Å | ||
| 1719 | R | 34.8 | Very low | 59.4 | Low | 227 Ų | 227 | 90.6 Ų | 90.6 | 86% | 0.857 | 44% | 0.441 | S | S | * | . | trans | -71.9 | 107.2 | 165.9 | -74 | -168.2 | 176.4 | -163.7 | 0.4 | 106.8 | P1717 | P1717-R1719 HydrophobicContact CB-CG 4.26Å; P1717-R1719 PolarHBondContact O-N 2.96Å | ||
| 1720 | Q | 33.4 | Very low | 59.4 | Low | 155 Ų | 155 | 95 Ų | 95 | 72% | 0.724 | 46% | 0.462 | S | S | * | . | trans | -54.9 | 154.8 | 164.3 | -66.9 | 174.5 | -100.3 | 0 | 0 | 109.8 | V1718 | V1718-Q1720 PolarHBondContact O-N 2.99Š| ||
| 1721 | D | 38 | Very low | 59.5 | Low | 142 Ų | 142 | 94.9 Ų | 94.9 | 76% | 0.759 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 63.6 | 73.5 | 157.2 | -48.2 | -25.5 | 0 | 0 | 0 | 116.7 | ||
| 1722 | S | 55.7 | Low | 59.7 | Low | 60 Ų | 60 | 96.1 Ų | 96.1 | 42% | 0.42 | 48% | 0.477 | S | S | . | . | S | Bend | -169.9 | -32 | 100.9 | 36.8 | 0 | 0 | 0 | 0 | 114.2 | G1751 S1752 | S1722-G1751 CarbonylContact O-C 3.46Å; S1722-G1751 WeakPolarHBondContact O-CA 3.35Å; S1722-S1752 WeakPolarHBondContact CB-OG 3.39Å; S1722-S1752 PolarHBondContact O-N 3.32Å | |
| 1723 | I | 60.2 | Low | 59.9 | Low | 33 Ų | 33 | 96.5 Ų | 96.5 | 17% | 0.169 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.9 | -173.5 | -58.8 | 146.9 | 0 | 0 | 0 | 110.5 | V1749 T1750 Y1756 A1801 | I1723-V1749 HydrophobicContact CG2-CG1 4.01Å; I1723-T1750 CarbonylContact C-O 3.58Å; I1723-T1750 WeakPolarHBondContact CA-O 3.17Å; I1723-Y1756 HydrophobicContact CD1-CD1 3.8Å; I1723-Y1756 HydrophobicContact CD1-CD2 3.39Å; I1723-Y1756 HydrophobicContact CD1-CE1 4.15Å; I1723-Y1756 HydrophobicContact CD1-CE2 3.76Å; I1723-Y1756 HydrophobicContact CD1-CG 3.4Å; I1723-Y1756 HydrophobicContact CG1-CD2 4.36Å; I1723-Y1756 HydrophobicContact CG1-CG 4.36Å; I1723-A1801 HydrophobicContact CG2-CB 4.48Å |
| 1724 | K | 71.9 | Confident | 60.5 | Low | 139 Ų | 139 | 99.2 Ų | 99.2 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.5 | 172.6 | -66.9 | 175.1 | -179.7 | 173.7 | 0 | 109.5 | V1749 T1750 | K1724-V1749 CarbonylContact O-C 3.56Å; K1724-V1749 WeakPolarHBondContact O-CA 3.14Å; K1724-T1750 PolarHBondContact N-O 3.3Å; K1724-T1750 PolarHBondContact O-N 3.16Å; K1724-T1750 PolarHBondContact O-OG1 2.67Å |
| 1725 | V | 81.8 | Confident | 60.7 | Low | 12 Ų | 12 | 99.6 Ų | 99.6 | 7% | 0.073 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 142.5 | 167.8 | -172.6 | 0 | 0 | 0 | 0 | 108 | C1747 F1748 V1749 C1799 A1801 V1804 A1806 | V1725-C1747 VanDerWaalsContact CG1-SG 3.59Å; V1725-F1748 CarbonylContact C-O 3.53Å; V1725-F1748 WeakPolarHBondContact CA-O 3.49Å; V1725-V1749 HydrophobicContact CG1-CG2 4.48Å; V1725-V1749 HydrophobicContact CG2-CG2 4.35Å; V1725-C1799 HydrophobicContact CG1-CB 4.28Å; V1725-A1801 HydrophobicContact CG2-CB 3.68Å; V1725-V1804 HydrophobicContact CB-CG1 4.05Å; V1725-V1804 HydrophobicContact CG2-CB 3.95Å; V1725-V1804 HydrophobicContact CG2-CG1 3.75Å; V1725-A1806 HydrophobicContact CG1-CB 3.92Å |
| 1726 | R | 81.2 | Confident | 61.6 | Low | 168 Ų | 168 | 92.3 Ų | 92.3 | 63% | 0.634 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 147.4 | 169.9 | -76.2 | -176.8 | 168 | 177.5 | -8.4 | 111.2 | E1730 C1747 F1748 | R1726-E1730 VanDerWaalsContact CA-OE2 3.24Å; R1726-E1730 WeakPolarHBondContact CA-OE2 3.43Å; R1726-C1747 CarbonylContact O-C 3.56Å; R1726-C1747 WeakPolarHBondContact O-CA 3.48Å; R1726-F1748 PolarHBondContact N-O 2.99Å; R1726-F1748 PolarHBondContact O-N 3.44Å |
| 1727 | I | 85.1 | Confident | 62.1 | Low | 11 Ų | 11 | 92 Ų | 92 | 6% | 0.056 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 148.5 | 168.9 | -65.8 | 166.7 | 0 | 0 | 0 | 109.8 | G1729 E1730 R1746 C1747 W1760 C1799 A1806 I1808 | I1727-G1729 PolarHBondContact O-N 2.69Å; I1727-E1730 HydrophobicContact CB-CB 4.13Å; I1727-E1730 PolarHBondContact N-OE2 3.42Å; I1727-E1730 WeakPolarHBondContact O-CB 3.36Å; I1727-E1730 PolarHBondContact O-N 3.3Å; I1727-R1746 WeakPolarHBondContact CA-O 3.45Å; I1727-C1747 HydrophobicContact CG1-CB 4.28Å; I1727-W1760 HydrophobicContact CD1-CH2 3.56Å; I1727-W1760 HydrophobicContact CD1-CZ3 3.66Å; I1727-W1760 HydrophobicContact CG1-CH2 3.76Å; I1727-W1760 HydrophobicContact CG1-CZ2 4.44Å; I1727-W1760 HydrophobicContact CG1-CZ3 4.35Å; I1727-W1760 HydrophobicContact CG2-CH2 4.08Å; I1727-C1799 HydrophobicContact CD1-CB 3.9Å; I1727-C1799 HydrophobicContact CG1-CB 4.15Å; I1727-A1806 VanDerWaalsContact CD1-C 3.49Å; I1727-A1806 HydrophobicContact CD1-CB 3.76Å; I1727-A1806 WeakPolarHBondContact CD1-O 3.02Å; I1727-A1806 HydrophobicContact CG1-CB 3.89Å; I1727-I1808 HydrophobicContact CD1-CG2 4.46Å; I1727-I1808 HydrophobicContact CG2-CB 4.07Å; I1727-I1808 HydrophobicContact CG2-CD1 4.23Å; I1727-I1808 HydrophobicContact CG2-CG2 4.02Å |
| 1728 | M | 72.4 | Confident | 63.2 | Low | 116 Ų | 116 | 91.7 Ų | 91.7 | 57% | 0.571 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 118.3 | 167.2 | -70.6 | 178.3 | 63.1 | 0 | 0 | 109.4 | R1746 F1748 I1808 | M1728-R1746 PolarHBondContact N-O 3.41Å; M1728-R1746 HydrophobicContact SD-CB 4.15Å; M1728-F1748 HydrophobicContact CG-CE2 4.01Å; M1728-F1748 HydrophobicContact SD-CE2 3.96Å; M1728-F1748 HydrophobicContact SD-CZ 4.48Å; M1728-I1808 WeakPolarHBondContact O-CD1 3.44Å |
| 1729 | G | 67.5 | Low | 64.7 | Low | 21 Ų | 21 | 88.5 Ų | 88.5 | 22% | 0.216 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 22 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1727 G1731 E1732 I1808 | I1727-G1729 PolarHBondContact O-N 2.69Å; G1729-G1731 PolarHBondContact O-N 3.37Å; G1729-E1732 WeakPolarHBondContact CA-OE2 3.31Å; G1729-E1732 PolarHBondContact O-N 2.99Å; G1729-I1808 WeakPolarHBondContact O-CD1 3.32Å |
| 1730 | E | 69.9 | Low | 66 | Low | 93 Ų | 93 | 82 Ų | 82 | 44% | 0.435 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 116.3 | 177.9 | -173.9 | 173.4 | 163.3 | 0 | 0 | 111.9 | R1726 I1727 A1806 | R1726-E1730 VanDerWaalsContact CA-OE2 3.24Å; R1726-E1730 WeakPolarHBondContact CA-OE2 3.43Å; I1727-E1730 HydrophobicContact CB-CB 4.13Å; I1727-E1730 PolarHBondContact N-OE2 3.42Å; I1727-E1730 WeakPolarHBondContact O-CB 3.36Å; I1727-E1730 PolarHBondContact O-N 3.3Å; E1730-A1806 VanDerWaalsContact CD-CB 3.5Å; E1730-A1806 HydrophobicContact CG-CB 4.18Å; E1730-A1806 WeakPolarHBondContact OE1-CB 3.05Å |
| 1731 | G | 61.5 | Low | 67.8 | Low | 65 Ų | 65 | 80.5 Ų | 80.5 | 67% | 0.67 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | -4.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1729 | G1729-G1731 PolarHBondContact O-N 3.37Š|
| 1732 | E | 69.8 | Low | 69.7 | Low | 136 Ų | 136 | 76.7 Ų | 76.7 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -93.4 | 156.2 | 172.6 | -61 | 178.9 | 151.3 | 0 | 0 | 110.8 | G1729 | G1729-E1732 WeakPolarHBondContact CA-OE2 3.31Å; G1729-E1732 PolarHBondContact O-N 2.99Å |
| 1733 | V | 69 | Low | 71 | Confident | 80 Ų | 80 | 74 Ų | 74 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.6 | 168.8 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | H1735 D1809 N1811 | V1733-H1735 PolarHBondContact O-CD2 3.46Å; V1733-H1735 PolarHBondContact O-N 3.22Å; V1733-D1809 CarbonylContact C-O 3.55Å; V1733-D1809 WeakPolarHBondContact CA-O 3.24Å; V1733-D1809 HydrophobicContact CG2-CB 4.49Å; V1733-N1811 HydrophobicContact CG1-CB 4.35Å |
| 1734 | M | 71.7 | Confident | 72.2 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 97.7 | 179.3 | -176.2 | 176 | -75.2 | 0 | 0 | 110 | I1736 L1743 L1745 I1808 D1809 V1810 N1811 | M1734-I1736 HydrophobicContact CG-CG1 4.46Å; M1734-L1743 HydrophobicContact SD-CD1 3.94Å; M1734-L1745 HydrophobicContact CE-CD2 3.93Å; M1734-L1745 HydrophobicContact SD-CD2 3.65Å; M1734-I1808 HydrophobicContact CB-CD1 4.13Å; M1734-I1808 HydrophobicContact CB-CG1 4.49Å; M1734-I1808 HydrophobicContact CE-CD1 3.81Å; M1734-D1809 PolarHBondContact N-O 3.08Å; M1734-V1810 HydrophobicContact CB-CG2 4.38Å; M1734-N1811 PolarHBondContact O-N 2.96Å |
| 1735 | H | 71.2 | Confident | 73 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 118.3 | 173.9 | -66 | -99.6 | 0 | 0 | 0 | 110.5 | V1733 N1811 E1813 | V1733-H1735 PolarHBondContact O-CD2 3.46Å; V1733-H1735 PolarHBondContact O-N 3.22Å; H1735-N1811 CarbonylContact C-O 3.59Å; H1735-N1811 WeakPolarHBondContact CA-O 3.34Å; H1735-E1813 IonicContact CE1-OE1 3.29Å; H1735-E1813 PolarHBondContact CE1-OE1 2.03Å; H1735-E1813 IonicContact CG-OE1 3.53Å; H1735-E1813 IonicContact ND1-OE1 3.91Å; H1735-E1813 PolarHBondContact ND1-OE1 3.24Å; H1735-E1813 IonicContact ND1-OE2 3.54Å |
| 1736 | I | 70.1 | Confident | 73.3 | Confident | 18 Ų | 18 | 73.5 Ų | 73.5 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 94.5 | 173 | -46.1 | -175.7 | 0 | 0 | 0 | 107.9 | M1734 L1743 P1789 V1810 N1811 V1812 E1813 | M1734-I1736 HydrophobicContact CG-CG1 4.46Å; I1736-L1743 HydrophobicContact CD1-CB 3.72Å; I1736-L1743 HydrophobicContact CD1-CD1 3.65Å; I1736-L1743 HydrophobicContact CD1-CD2 3.91Å; I1736-L1743 HydrophobicContact CD1-CG 3.94Å; I1736-P1789 HydrophobicContact CD1-CB 4.39Å; I1736-P1789 HydrophobicContact CD1-CG 4.5Å; I1736-P1789 HydrophobicContact CG2-CG 4.19Å; I1736-V1810 HydrophobicContact CD1-CG1 3.74Å; I1736-V1810 HydrophobicContact CG1-CG1 4.08Å; I1736-N1811 PolarHBondContact N-O 3.2Å; I1736-V1812 HydrophobicContact CB-CG1 4.43Å; I1736-V1812 HydrophobicContact CD1-CG2 4.12Å; I1736-E1813 PolarHBondContact O-N 2.76Å; I1736-E1813 VanDerWaalsContact O-O 3.1Å |
| 1737 | T | 62.7 | Low | 73.6 | Confident | 81 Ų | 81 | 65.5 Ų | 65.5 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | trans | -88.1 | -16.3 | 179.1 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | E1813 | T1737-E1813 HydrophobicContact CG2-CB 4.41Š| ||
| 1738 | D | 67.3 | Low | 73.7 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | trans | -119.1 | 97 | 176.8 | 177.6 | 7.8 | 0 | 0 | 0 | 110.4 | S1740 H1741 | D1738-S1740 VanDerWaalsContact CG-OG 3.24Å; D1738-S1740 PolarHBondContact O-N 2.94Å; D1738-S1740 VanDerWaalsContact O-N 3.13Å; D1738-S1740 WeakPolarHBondContact OD1-CA 3.35Å; D1738-S1740 WeakPolarHBondContact OD1-CB 3.36Å; D1738-S1740 PolarHBondContact OD1-N 3.24Å; D1738-S1740 PolarHBondContact OD1-OG 2.75Å; D1738-S1740 PolarHBondContact OD2-OG 2.87Å; D1738-S1740 VanDerWaalsContact OD2-OG 3.13Å; D1738-H1741 PolarHBondContact O-N 2.04Å; D1738-H1741 VanDerWaalsContact O-N 3.12Å; D1738-H1741 IonicContact OD2-CE1 3.54Å; D1738-H1741 PolarHBondContact OD2-CE1 3.11Å; D1738-H1741 IonicContact OD2-CG 3.59Å; D1738-H1741 IonicContact OD2-ND1 3.98Å; D1738-H1741 PolarHBondContact OD2-ND1 2.03Å | ||
| 1739 | I | 62.9 | Low | 74.3 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 35% | 0.349 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -4.3 | 178 | 61.4 | 170.3 | 0 | 0 | 0 | 114.5 | V1812 | I1739-V1812 HydrophobicContact CG2-CG1 3.8Š|
| 1740 | S | 63.9 | Low | 74.8 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -20.7 | 170.9 | 79.3 | 0 | 0 | 0 | 0 | 112.8 | D1738 | D1738-S1740 VanDerWaalsContact CG-OG 3.24Å; D1738-S1740 PolarHBondContact O-N 2.94Å; D1738-S1740 VanDerWaalsContact O-N 3.13Å; D1738-S1740 WeakPolarHBondContact OD1-CA 3.35Å; D1738-S1740 WeakPolarHBondContact OD1-CB 3.36Å; D1738-S1740 PolarHBondContact OD1-N 3.24Å; D1738-S1740 PolarHBondContact OD1-OG 2.75Å; D1738-S1740 PolarHBondContact OD2-OG 2.87Å; D1738-S1740 VanDerWaalsContact OD2-OG 3.13Å |
| 1741 | H | 70.1 | Confident | 74.8 | Confident | 122 Ų | 122 | 61 Ų | 61 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -83 | 133 | 169.4 | -77.9 | 83.4 | 0 | 0 | 0 | 110.2 | D1738 P1789 | D1738-H1741 PolarHBondContact O-N 2.04Å; D1738-H1741 VanDerWaalsContact O-N 3.12Å; D1738-H1741 IonicContact OD2-CE1 3.54Å; D1738-H1741 PolarHBondContact OD2-CE1 3.11Å; D1738-H1741 IonicContact OD2-CG 3.59Å; D1738-H1741 IonicContact OD2-ND1 3.98Å; D1738-H1741 PolarHBondContact OD2-ND1 2.03Å; H1741-P1789 WeakPolarHBondContact O-CD 3.03Å; H1741-P1789 WeakPolarHBondContact O-CG 3.16Å |
| 1742 | P | 78.3 | Confident | 74.8 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 40% | 0.403 | 34% | 0.341 | S | S | . | . | trans | -73.6 | 140.9 | 179.9 | 32.7 | -36.5 | 0 | 0 | 0 | 110.7 | E1744 L1785 I1786 | P1742-E1744 PolarHBondContact O-N 3.43Å; P1742-E1744 VanDerWaalsContact O-N 3.12Å; P1742-L1785 HydrophobicContact CB-CD1 3.85Å; P1742-L1785 HydrophobicContact CG-CD1 4.22Å; P1742-I1786 CarbonylContact C-O 3.52Å; P1742-I1786 VanDerWaalsContact CA-O 3.32Å; P1742-I1786 WeakPolarHBondContact CA-O 3.36Å; P1742-I1786 WeakPolarHBondContact CB-O 3.29Å | ||
| 1743 | L | 82.2 | Confident | 74.3 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 105.5 | 172.8 | 169 | 49.2 | 0 | 0 | 0 | 109.2 | M1734 I1736 L1745 L1785 I1786 P1789 V1810 | M1734-L1743 HydrophobicContact SD-CD1 3.94Å; I1736-L1743 HydrophobicContact CD1-CB 3.72Å; I1736-L1743 HydrophobicContact CD1-CD1 3.65Å; I1736-L1743 HydrophobicContact CD1-CD2 3.91Å; I1736-L1743 HydrophobicContact CD1-CG 3.94Å; L1743-L1745 HydrophobicContact CD1-CD1 4.36Å; L1743-L1745 HydrophobicContact CD1-CD2 3.63Å; L1743-L1745 HydrophobicContact CD1-CG 3.64Å; L1743-L1745 HydrophobicContact CG-CG 4.29Å; L1743-L1785 CarbonylContact O-C 3.52Å; L1743-L1785 VanDerWaalsContact O-CA 3.31Å; L1743-L1785 WeakPolarHBondContact O-CA 3.02Å; L1743-I1786 HydrophobicContact CB-CB 4.26Å; L1743-I1786 HydrophobicContact CD2-CD1 4.38Å; L1743-I1786 PolarHBondContact N-O 3.4Å; L1743-I1786 PolarHBondContact O-N 2.99Å; L1743-P1789 HydrophobicContact CB-CB 4.1Å; L1743-P1789 HydrophobicContact CB-CG 4.34Å; L1743-V1810 HydrophobicContact CD1-CG1 4.48Å; L1743-V1810 HydrophobicContact CD1-CG2 4.46Å; L1743-V1810 HydrophobicContact CD2-CG1 3.96Å; L1743-V1810 HydrophobicContact CD2-CG2 4.47Å |
| 1744 | E | 85.9 | Confident | 73.8 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 105.2 | 173.8 | -165.8 | -172.7 | 160.4 | 0 | 0 | 111 | P1742 R1746 L1784 L1785 | P1742-E1744 PolarHBondContact O-N 3.43Å; P1742-E1744 VanDerWaalsContact O-N 3.12Å; E1744-R1746 IonicContact OE1-CZ 3.72Å; E1744-R1746 IonicContact OE1-NE 3.09Å; E1744-R1746 PolarHBondContact OE1-NE 3.21Å; E1744-R1746 IonicContact OE1-NH2 2.85Å; E1744-R1746 PolarHBondContact OE1-NH2 3.15Å; E1744-R1746 IonicContact OE2-NH2 3.91Å; E1744-L1784 CarbonylContact C-O 3.48Å; E1744-L1784 WeakPolarHBondContact CA-O 3.49Å; E1744-L1785 HydrophobicContact CB-CD1 3.83Å; E1744-L1785 HydrophobicContact CG-CD1 4.06Å |
| 1745 | L | 89.4 | Confident | 73.2 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.9 | 173 | -60.7 | 179.7 | 0 | 0 | 0 | 110.5 | M1734 L1743 W1760 S1783 L1784 Y1797 I1808 V1810 | M1734-L1745 HydrophobicContact CE-CD2 3.93Å; M1734-L1745 HydrophobicContact SD-CD2 3.65Å; L1743-L1745 HydrophobicContact CD1-CD1 4.36Å; L1743-L1745 HydrophobicContact CD1-CD2 3.63Å; L1743-L1745 HydrophobicContact CD1-CG 3.64Å; L1743-L1745 HydrophobicContact CG-CG 4.29Å; L1745-W1760 HydrophobicContact CB-CH2 3.67Å; L1745-W1760 HydrophobicContact CB-CZ2 3.62Å; L1745-W1760 HydrophobicContact CB-CZ3 4.48Å; L1745-W1760 HydrophobicContact CD1-CH2 4.09Å; L1745-W1760 HydrophobicContact CD1-CZ3 4.15Å; L1745-W1760 HydrophobicContact CG-CH2 4.48Å; L1745-S1783 CarbonylContact O-C 3.5Å; L1745-S1783 WeakPolarHBondContact O-CA 3.39Å; L1745-L1784 HydrophobicContact CB-CB 4.33Å; L1745-L1784 PolarHBondContact N-O 3.5Å; L1745-L1784 PolarHBondContact O-N 2.86Å; L1745-Y1797 HydrophobicContact CD1-CD1 3.82Å; L1745-Y1797 HydrophobicContact CD1-CD2 4.05Å; L1745-Y1797 HydrophobicContact CD1-CE1 4.47Å; L1745-Y1797 HydrophobicContact CD1-CG 3.57Å; L1745-I1808 HydrophobicContact CD1-CG2 3.93Å; L1745-I1808 HydrophobicContact CD2-CD1 4.28Å; L1745-I1808 HydrophobicContact CD2-CG2 4.06Å; L1745-V1810 HydrophobicContact CD1-CG2 4.12Å; L1745-V1810 HydrophobicContact CD2-CG2 4.24Å |
| 1746 | R | 88.4 | Confident | 72.7 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124 | 178.9 | -62.2 | -163.2 | 179.7 | -163.9 | 10.7 | 112.5 | I1727 M1728 E1744 F1748 E1781 | I1727-R1746 WeakPolarHBondContact CA-O 3.45Å; M1728-R1746 PolarHBondContact N-O 3.41Å; M1728-R1746 HydrophobicContact SD-CB 4.15Å; E1744-R1746 IonicContact OE1-CZ 3.72Å; E1744-R1746 IonicContact OE1-NE 3.09Å; E1744-R1746 PolarHBondContact OE1-NE 3.21Å; E1744-R1746 IonicContact OE1-NH2 2.85Å; E1744-R1746 PolarHBondContact OE1-NH2 3.15Å; E1744-R1746 IonicContact OE2-NH2 3.91Å; R1746-F1748 HydrophobicContact CB-CE2 3.83Å; R1746-F1748 HydrophobicContact CB-CZ 4.25Å; R1746-E1781 IonicContact CZ-OE1 3.24Å; R1746-E1781 IonicContact NE-OE1 2.98Å; R1746-E1781 IonicContact NH1-OE1 2.69Å; R1746-E1781 PolarHBondContact NH1-OE1 3.06Å |
| 1747 | C | 87.5 | Confident | 72.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | V1725 R1726 I1727 W1760 E1781 I1782 C1799 | V1725-C1747 VanDerWaalsContact CG1-SG 3.59Å; R1726-C1747 CarbonylContact O-C 3.56Å; R1726-C1747 WeakPolarHBondContact O-CA 3.48Å; I1727-C1747 HydrophobicContact CG1-CB 4.28Å; C1747-W1760 HydrophobicContact CB-CH2 4.25Å; C1747-W1760 HydrophobicContact CB-CZ2 3.49Å; C1747-W1760 VanDerWaalsContact CB-CZ2 3.49Å; C1747-E1781 CarbonylContact O-C 3.52Å; C1747-E1781 WeakPolarHBondContact O-CA 3.44Å; C1747-I1782 HydrophobicContact CB-CB 4.31Å; C1747-I1782 PolarHBondContact N-O 2.68Å; C1747-I1782 PolarHBondContact O-N 2.73Å; C1747-C1799 HydrophobicContact CB-CB 3.54Å; C1747-C1799 WeakPolarHBondContact CB-SG 3.31Å; C1747-C1799 WeakPolarHBondContact SG-CB 3.31Å; C1747-C1799 CovalentContact SG-SG 2.02Å; C1747-C1799 PolarHBondContact SG-SG 2.82Å |
| 1748 | F | 86.8 | Confident | 73.4 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 26% | 0.263 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 112.9 | 178.8 | -64 | -87.2 | 0 | 0 | 0 | 109.9 | V1725 R1726 M1728 R1746 E1781 | V1725-F1748 CarbonylContact C-O 3.53Å; V1725-F1748 WeakPolarHBondContact CA-O 3.49Å; R1726-F1748 PolarHBondContact N-O 2.99Å; R1726-F1748 PolarHBondContact O-N 3.44Å; M1728-F1748 HydrophobicContact CG-CE2 4.01Å; M1728-F1748 HydrophobicContact SD-CE2 3.96Å; M1728-F1748 HydrophobicContact SD-CZ 4.48Å; R1746-F1748 HydrophobicContact CB-CE2 3.83Å; R1746-F1748 HydrophobicContact CB-CZ 4.25Å; F1748-E1781 HydrophobicContact CD1-CB 3.95Å; F1748-E1781 HydrophobicContact CD1-CG 4.1Å; F1748-E1781 HydrophobicContact CE1-CB 3.84Å; F1748-E1781 HydrophobicContact CE1-CG 3.58Å; F1748-E1781 HydrophobicContact CZ-CG 4.04Å |
| 1749 | V | 84.7 | Confident | 74.1 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 94.6 | 176.5 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | I1723 K1724 V1725 G1779 Y1780 I1782 A1801 | I1723-V1749 HydrophobicContact CG2-CG1 4.01Å; K1724-V1749 CarbonylContact O-C 3.56Å; K1724-V1749 WeakPolarHBondContact O-CA 3.14Å; V1725-V1749 HydrophobicContact CG1-CG2 4.48Å; V1725-V1749 HydrophobicContact CG2-CG2 4.35Å; V1749-G1779 CarbonylContact O-C 3.41Å; V1749-G1779 WeakPolarHBondContact O-CA 3.16Å; V1749-Y1780 PolarHBondContact N-O 3.47Å; V1749-Y1780 PolarHBondContact O-N 3Å; V1749-I1782 HydrophobicContact CG2-CD1 3.73Å; V1749-A1801 HydrophobicContact CB-CB 4.43Å; V1749-A1801 HydrophobicContact CG1-CB 3.52Å; V1749-A1801 HydrophobicContact CG2-CB 3.97Å |
| 1750 | T | 78.3 | Confident | 75.2 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 138 | -179.1 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | I1723 K1724 D1778 | I1723-T1750 CarbonylContact C-O 3.58Å; I1723-T1750 WeakPolarHBondContact CA-O 3.17Å; K1724-T1750 PolarHBondContact N-O 3.3Å; K1724-T1750 PolarHBondContact O-N 3.16Å; K1724-T1750 PolarHBondContact O-OG1 2.67Å; T1750-D1778 CarbonylContact C-O 3.53Å; T1750-D1778 VanDerWaalsContact CA-O 3.24Å; T1750-D1778 WeakPolarHBondContact CA-O 3.31Å |
| 1751 | G | 69.6 | Low | 76 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | 164.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | S1722 D1778 | S1722-G1751 CarbonylContact O-C 3.46Å; S1722-G1751 WeakPolarHBondContact O-CA 3.35Å; G1751-D1778 PolarHBondContact N-O 2.96Å |
| 1752 | S | 62.2 | Low | 76.2 | Confident | 98 Ų | 98 | 57.3 Ų | 57.3 | 69% | 0.685 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -79.1 | -31.5 | -178.3 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | S1722 Q1754 | S1722-S1752 WeakPolarHBondContact CB-OG 3.39Å; S1722-S1752 PolarHBondContact O-N 3.32Å; S1752-Q1754 PolarHBondContact O-N 3.2Å |
| 1753 | D | 57.8 | Low | 75.7 | Confident | 76 Ų | 76 | 55.2 Ų | 55.2 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | trans | -90 | 103.6 | 173.8 | -169.1 | -24.4 | 0 | 0 | 0 | 110.9 | S1755 Y1756 | D1753-S1755 VanDerWaalsContact CG-OG 3.25Å; D1753-S1755 PolarHBondContact O-N 3.26Å; D1753-S1755 VanDerWaalsContact OD1-CB 3.23Å; D1753-S1755 WeakPolarHBondContact OD1-CB 3.38Å; D1753-S1755 PolarHBondContact OD1-N 3.42Å; D1753-S1755 PolarHBondContact OD1-OG 2.85Å; D1753-S1755 PolarHBondContact OD2-OG 3.18Å; D1753-Y1756 HydrophobicContact CB-CD2 3.9Å; D1753-Y1756 HydrophobicContact CB-CE2 4.07Å; D1753-Y1756 PolarHBondContact O-N 3.22Å; D1753-Y1756 WeakPolarHBondContact OD2-CE2 3.26Å | ||
| 1754 | Q | 58.4 | Low | 74.5 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1.1 | -176.6 | -59.4 | -174.3 | 8.2 | 0 | 0 | 114.3 | S1752 Y1756 Y1780 | S1752-Q1754 PolarHBondContact O-N 3.2Å; Q1754-Y1756 VanDerWaalsContact C-N 3.32Å; Q1754-Y1780 PolarHBondContact O-OH 3.46Å |
| 1755 | S | 59.9 | Low | 72.9 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 57% | 0.573 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -23.5 | 173.8 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | D1753 S1757 | D1753-S1755 VanDerWaalsContact CG-OG 3.25Å; D1753-S1755 PolarHBondContact O-N 3.26Å; D1753-S1755 VanDerWaalsContact OD1-CB 3.23Å; D1753-S1755 WeakPolarHBondContact OD1-CB 3.38Å; D1753-S1755 PolarHBondContact OD1-N 3.42Å; D1753-S1755 PolarHBondContact OD1-OG 2.85Å; D1753-S1755 PolarHBondContact OD2-OG 3.18Å; S1755-S1757 PolarHBondContact O-N 2.87Å |
| 1756 | Y | 60.9 | Low | 71.7 | Confident | 97 Ų | 97 | 58.5 Ų | 58.5 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | trans | -78.2 | 84.3 | -175.1 | -71.7 | -93.2 | 0 | 0 | 0 | 112.4 | I1723 D1753 Q1754 G1758 | I1723-Y1756 HydrophobicContact CD1-CD1 3.8Å; I1723-Y1756 HydrophobicContact CD1-CD2 3.39Å; I1723-Y1756 HydrophobicContact CD1-CE1 4.15Å; I1723-Y1756 HydrophobicContact CD1-CE2 3.76Å; I1723-Y1756 HydrophobicContact CD1-CG 3.4Å; I1723-Y1756 HydrophobicContact CG1-CD2 4.36Å; I1723-Y1756 HydrophobicContact CG1-CG 4.36Å; D1753-Y1756 HydrophobicContact CB-CD2 3.9Å; D1753-Y1756 HydrophobicContact CB-CE2 4.07Å; D1753-Y1756 PolarHBondContact O-N 3.22Å; D1753-Y1756 WeakPolarHBondContact OD2-CE2 3.26Å; Q1754-Y1756 VanDerWaalsContact C-N 3.32Å; Y1756-G1758 PolarHBondContact O-N 3.11Å | ||
| 1757 | S | 68.6 | Low | 70.9 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | trans | -74.4 | 102.9 | 165.1 | -173.2 | 0 | 0 | 0 | 0 | 110 | S1755 K1773 | S1755-S1757 PolarHBondContact O-N 2.87Å; S1757-K1773 WeakPolarHBondContact OG-CE 3.43Å; S1757-K1773 PolarHBondContact OG-NZ 3Å | ||
| 1758 | G | 77.5 | Confident | 70.3 | Confident | 4 Ų | 4 | 67 Ų | 67 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | trans | -63.8 | 167.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1756 I1782 R1800 | Y1756-G1758 PolarHBondContact O-N 3.11Å; G1758-I1782 WeakPolarHBondContact O-CD1 3.44Å; G1758-R1800 CarbonylContact C-O 3.42Å; G1758-R1800 WeakPolarHBondContact CA-O 3.42Å | ||
| 1759 | Q | 83.6 | Confident | 70 | Confident | 121 Ų | 121 | 65.1 Ų | 65.1 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.6 | 180 | 65.4 | -173.6 | 11.6 | 0 | 0 | 110.6 | C1799 R1800 | Q1759-C1799 WeakPolarHBondContact O-CA 3.37Å; Q1759-R1800 PolarHBondContact N-O 3.43Å; Q1759-R1800 PolarHBondContact O-N 2.82Å |
| 1760 | W | 85.5 | Confident | 69.9 | Low | 31 Ų | 31 | 69.1 Ų | 69.1 | 12% | 0.117 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 138.4 | 171 | -77.8 | 102 | 0 | 0 | 0 | 111.4 | I1727 L1745 C1747 I1782 L1784 C1799 I1808 | I1727-W1760 HydrophobicContact CD1-CH2 3.56Å; I1727-W1760 HydrophobicContact CD1-CZ3 3.66Å; I1727-W1760 HydrophobicContact CG1-CH2 3.76Å; I1727-W1760 HydrophobicContact CG1-CZ2 4.44Å; I1727-W1760 HydrophobicContact CG1-CZ3 4.35Å; I1727-W1760 HydrophobicContact CG2-CH2 4.08Å; L1745-W1760 HydrophobicContact CB-CH2 3.67Å; L1745-W1760 HydrophobicContact CB-CZ2 3.62Å; L1745-W1760 HydrophobicContact CB-CZ3 4.48Å; L1745-W1760 HydrophobicContact CD1-CH2 4.09Å; L1745-W1760 HydrophobicContact CD1-CZ3 4.15Å; L1745-W1760 HydrophobicContact CG-CH2 4.48Å; C1747-W1760 HydrophobicContact CB-CH2 4.25Å; C1747-W1760 HydrophobicContact CB-CZ2 3.49Å; C1747-W1760 VanDerWaalsContact CB-CZ2 3.49Å; W1760-I1782 PolarHBondContact NE1-O 3.47Å; W1760-L1784 HydrophobicContact CB-CD1 3.8Å; W1760-L1784 HydrophobicContact CD2-CB 4.27Å; W1760-L1784 HydrophobicContact CD2-CD1 3.88Å; W1760-L1784 HydrophobicContact CE3-CD1 4.26Å; W1760-L1784 HydrophobicContact CG-CB 4.08Å; W1760-L1784 HydrophobicContact CG-CD1 3.7Å; W1760-C1799 HydrophobicContact CD2-CB 3.96Å; W1760-C1799 HydrophobicContact CE3-CB 3.82Å; W1760-C1799 HydrophobicContact CH2-CB 4.18Å; W1760-C1799 HydrophobicContact CZ2-CB 4.31Å; W1760-C1799 HydrophobicContact CZ3-CB 3.93Å; W1760-I1808 HydrophobicContact CH2-CG2 4.45Å; W1760-I1808 HydrophobicContact CZ3-CG2 4.41Å |
| 1761 | I | 81 | Confident | 70.1 | Confident | 71 Ų | 71 | 70 Ų | 70 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136.8 | 165.5 | -56.1 | 166.8 | 0 | 0 | 0 | 105.8 | Y1797 E1798 R1800 | I1761-Y1797 WeakPolarHBondContact O-CA 3.46Å; I1761-E1798 HydrophobicContact CB-CB 4.26Å; I1761-E1798 PolarHBondContact N-O 3.28Å; I1761-E1798 PolarHBondContact O-N 3.17Å; I1761-R1800 HydrophobicContact CD1-CB 4.36Å |
| 1762 | K | 74.7 | Confident | 70.8 | Confident | 61 Ų | 61 | 72.1 Ų | 72.1 | 27% | 0.265 | 38% | 0.382 | S | S | . | . | trans | -132.4 | 163.4 | -170.7 | 69 | -177 | -164.1 | 75 | 0 | 111.1 | A1766 Q1767 P1769 Y1797 | K1762-A1766 PolarHBondContact NZ-O 3.17Å; K1762-Q1767 VanDerWaalsContact CE-O 3.24Å; K1762-Q1767 WeakPolarHBondContact CE-O 3.39Å; K1762-Q1767 PolarHBondContact NZ-O 2.93Å; K1762-P1769 VanDerWaalsContact CD-CD 3.47Å; K1762-P1769 HydrophobicContact CD-CG 3.98Å; K1762-Y1797 HydrophobicContact CB-CD1 3.71Å; K1762-Y1797 HydrophobicContact CB-CE1 3.6Å | ||
| 1763 | P | 67.2 | Low | 71.8 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 12% | 0.117 | 37% | 0.366 | C | S | . | . | trans | -55.7 | 143.9 | 172.1 | -24 | 34.9 | 0 | 0 | 0 | 112.1 | S1765 A1766 R1796 Y1797 | P1763-S1765 VanDerWaalsContact C-N 3.26Å; P1763-S1765 PolarHBondContact O-N 3.06Å; P1763-A1766 HydrophobicContact CB-CB 4.16Å; P1763-A1766 WeakPolarHBondContact O-CB 3.48Å; P1763-A1766 PolarHBondContact O-N 3.28Å; P1763-R1796 WeakPolarHBondContact CD-O 2.89Å; P1763-Y1797 VanDerWaalsContact CD-CZ 3.48Å; P1763-Y1797 HydrophobicContact CG-CD2 4.26Å; P1763-Y1797 HydrophobicContact CG-CE2 3.84Å | ||
| 1764 | H | 56.9 | Low | 72.9 | Confident | 130 Ų | 130 | 70.8 Ų | 70.8 | 60% | 0.602 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -70.5 | -22.8 | 179.5 | -70.8 | 102.8 | 0 | 0 | 0 | 113.2 | R2039 T2049 | H1764-R2039 PolarHBondContact O-NH1 2.83Å; H1764-T2049 HydrophobicContact CB-CG2 3.93Å |
| 1765 | S | 51.3 | Low | 74 | Confident | 24 Ų | 24 | 73.1 Ų | 73.1 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -69 | -38.4 | 170.4 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | P1763 T1792 R2039 | P1763-S1765 VanDerWaalsContact C-N 3.26Å; P1763-S1765 PolarHBondContact O-N 3.06Å; S1765-T1792 CarbonylContact C-O 3.55Å; S1765-T1792 VanDerWaalsContact C-O 3.28Å; S1765-T1792 WeakPolarHBondContact CB-O 2.89Å; S1765-T1792 PolarHBondContact OG-O 3Å; S1765-R2039 VanDerWaalsContact O-CZ 3.32Å; S1765-R2039 PolarHBondContact O-NH1 3.47Å; S1765-R2039 PolarHBondContact O-NH2 2.04Å |
| 1766 | A | 64.7 | Low | 74.8 | Confident | 4 Ų | 4 | 73.6 Ų | 73.6 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -58.9 | 152.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1762 P1763 T1792 D1793 | K1762-A1766 PolarHBondContact NZ-O 3.17Å; P1763-A1766 HydrophobicContact CB-CB 4.16Å; P1763-A1766 WeakPolarHBondContact O-CB 3.48Å; P1763-A1766 PolarHBondContact O-N 3.28Å; A1766-T1792 WeakPolarHBondContact CA-O 3.02Å; A1766-T1792 PolarHBondContact N-O 3.19Å; A1766-T1792 VanDerWaalsContact N-O 3.12Å; A1766-D1793 WeakPolarHBondContact CA-OD1 3.5Å; A1766-D1793 HydrophobicContact CB-CB 4.36Å; A1766-D1793 WeakPolarHBondContact CB-OD1 3.28Å |
| 1767 | Q | 71.1 | Confident | 75.2 | Confident | 82 Ų | 82 | 77.5 Ų | 77.5 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | trans | -59.8 | 167.2 | 168.7 | -62.1 | 179.4 | 84.6 | 0 | 0 | 111.1 | K1762 P1769 Q1788 D1793 | K1762-Q1767 VanDerWaalsContact CE-O 3.24Å; K1762-Q1767 WeakPolarHBondContact CE-O 3.39Å; K1762-Q1767 PolarHBondContact NZ-O 2.93Å; Q1767-P1769 WeakPolarHBondContact O-CD 3.41Å; Q1767-Q1788 PolarHBondContact NE2-O 2.98Å; Q1767-D1793 WeakPolarHBondContact CB-OD1 3.37Å; Q1767-D1793 WeakPolarHBondContact CG-OD1 3.3Å; Q1767-D1793 PolarHBondContact N-OD1 3.26Å; Q1767-D1793 PolarHBondContact NE2-OD2 3.26Å | ||
| 1768 | E | 75.1 | Confident | 75.3 | Confident | 184 Ų | 184 | 80 Ų | 80 | 86% | 0.86 | 39% | 0.393 | S | S | * | . | trans | -89.9 | 111.9 | 179.1 | -164.7 | 156.7 | -161.8 | 0 | 0 | 110.1 | ||||
| 1769 | P | 81.4 | Confident | 75.3 | Confident | 21 Ų | 21 | 80.3 Ų | 80.3 | 14% | 0.136 | 40% | 0.397 | C | S | . | . | trans | -81.5 | 155.3 | -168.3 | 32.2 | -36 | 0 | 0 | 0 | 112.6 | K1762 Q1767 V1771 L1784 I1786 | K1762-P1769 VanDerWaalsContact CD-CD 3.47Å; K1762-P1769 HydrophobicContact CD-CG 3.98Å; Q1767-P1769 WeakPolarHBondContact O-CD 3.41Å; P1769-V1771 HydrophobicContact CG-CG2 3.98Å; P1769-V1771 PolarHBondContact O-N 3.37Å; P1769-V1771 VanDerWaalsContact O-N 3.08Å; P1769-L1784 HydrophobicContact CB-CD1 4.38Å; P1769-L1784 HydrophobicContact CB-CD2 3.62Å; P1769-L1784 HydrophobicContact CB-CG 3.61Å; P1769-L1784 HydrophobicContact CG-CD1 4.02Å; P1769-L1784 HydrophobicContact CG-CD2 4.16Å; P1769-L1784 HydrophobicContact CG-CG 3.75Å; P1769-I1786 HydrophobicContact CB-CD1 4.37Å; P1769-I1786 HydrophobicContact CB-CG1 3.72Å | ||
| 1770 | I | 82.3 | Confident | 75.3 | Confident | 89 Ų | 89 | 76.9 Ų | 76.9 | 46% | 0.456 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 97 | 167.7 | -56.3 | 174.9 | 0 | 0 | 0 | 107.6 | T1772 L1785 | I1770-T1772 HydrophobicContact CG2-CG2 4.22Å; I1770-L1785 HydrophobicContact CB-CB 4.35Å; I1770-L1785 PolarHBondContact N-O 3.15Å; I1770-L1785 PolarHBondContact O-N 3.07Å |
| 1771 | V | 83.5 | Confident | 75.3 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.5 | 173.9 | -174 | 0 | 0 | 0 | 0 | 109.8 | P1769 I1782 S1783 | P1769-V1771 HydrophobicContact CG-CG2 3.98Å; P1769-V1771 PolarHBondContact O-N 3.37Å; P1769-V1771 VanDerWaalsContact O-N 3.08Å; V1771-I1782 HydrophobicContact CG1-CG2 3.76Å; V1771-S1783 WeakPolarHBondContact CA-O 3.37Å |
| 1772 | T | 84.2 | Confident | 75.6 | Confident | 72 Ų | 72 | 73 Ų | 73 | 44% | 0.442 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 146.4 | 173.9 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | I1770 I1782 S1783 | I1770-T1772 HydrophobicContact CG2-CG2 4.22Å; T1772-I1782 CarbonylContact O-C 3.52Å; T1772-I1782 WeakPolarHBondContact O-CA 3.14Å; T1772-S1783 PolarHBondContact N-O 3.13Å; T1772-S1783 PolarHBondContact O-N 3.17Å; T1772-S1783 PolarHBondContact OG1-O 2.84Å |
| 1773 | K | 81.8 | Confident | 76.2 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 34% | 0.335 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 99.4 | -174.7 | -173.7 | 153.9 | -174.4 | -82.3 | 0 | 111.8 | S1757 Y1780 E1781 I1782 | S1757-K1773 WeakPolarHBondContact OG-CE 3.43Å; S1757-K1773 PolarHBondContact OG-NZ 3Å; K1773-Y1780 HydrophobicContact CG-CD1 4.1Å; K1773-Y1780 VanDerWaalsContact NZ-CE1 3.34Å; K1773-E1781 CarbonylContact C-O 3.46Å; K1773-E1781 WeakPolarHBondContact CA-O 3.15Å; K1773-I1782 HydrophobicContact CD-CD1 4.3Å; K1773-I1782 HydrophobicContact CD-CG1 3.98Å; K1773-I1782 HydrophobicContact CG-CG1 4.13Å |
| 1774 | T | 81.8 | Confident | 77.3 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 143.2 | 176.4 | 24.6 | 0 | 0 | 0 | 0 | 110.7 | Y1780 E1781 | T1774-Y1780 CarbonylContact O-C 3.56Å; T1774-Y1780 VanDerWaalsContact O-CA 3.31Å; T1774-Y1780 WeakPolarHBondContact O-CA 3.43Å; T1774-E1781 PolarHBondContact N-O 3.45Å; T1774-E1781 PolarHBondContact O-N 3.24Å; T1774-E1781 WeakPolarHBondContact OG1-CB 3.36Å; T1774-E1781 PolarHBondContact OG1-O 3.3Å; T1774-E1781 PolarHBondContact OG1-OE2 3.41Å |
| 1775 | R | 80.4 | Confident | 78.8 | Confident | 155 Ų | 155 | 65.7 Ų | 65.7 | 59% | 0.585 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.2 | 173.4 | -173.5 | 171.3 | 171.7 | -84.1 | 8.2 | 108.9 | Y1780 | R1775-Y1780 HydrophobicContact CB-CD1 3.99Å; R1775-Y1780 HydrophobicContact CB-CE1 3.9Å; R1775-Y1780 HydrophobicContact CG-CD1 4.19Å; R1775-Y1780 HydrophobicContact CG-CE1 3.89Å |
| 1776 | Q | 76.8 | Confident | 80.3 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 43% | 0.425 | 32% | 0.322 | S | S | . | . | trans | -80.7 | 177.1 | 174.9 | -69.5 | -69.4 | -4.7 | 0 | 0 | 110 | G1779 E1781 | Q1776-G1779 PolarHBondContact N-O 3.04Å; Q1776-E1781 HydrophobicContact CG-CB 3.93Å; Q1776-E1781 PolarHBondContact NE2-OE2 3.47Å | ||
| 1777 | Q | 70.9 | Confident | 80.8 | Confident | 180 Ų | 180 | 69.1 Ų | 69.1 | 84% | 0.841 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -63.6 | -44.4 | 176.3 | -75.8 | -173.6 | -45.1 | 0 | 0 | 111.8 | ||
| 1778 | D | 69.4 | Low | 80.8 | Confident | 122 Ų | 122 | 72.4 Ų | 72.4 | 65% | 0.652 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -103 | 15.4 | -173.2 | -54.7 | -39 | 0 | 0 | 0 | 113.6 | T1750 G1751 | T1750-D1778 CarbonylContact C-O 3.53Å; T1750-D1778 VanDerWaalsContact CA-O 3.24Å; T1750-D1778 WeakPolarHBondContact CA-O 3.31Å; G1751-D1778 PolarHBondContact N-O 2.96Å |
| 1779 | G | 78 | Confident | 80.8 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.2 | -140 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1749 Q1776 | V1749-G1779 CarbonylContact O-C 3.41Å; V1749-G1779 WeakPolarHBondContact O-CA 3.16Å; Q1776-G1779 PolarHBondContact N-O 3.04Å |
| 1780 | Y | 82.9 | Confident | 80.1 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.2 | 177.5 | -64.3 | -79.8 | 0 | 0 | 0 | 112 | V1749 Q1754 K1773 T1774 R1775 | V1749-Y1780 PolarHBondContact N-O 3.47Å; V1749-Y1780 PolarHBondContact O-N 3Å; Q1754-Y1780 PolarHBondContact O-OH 3.46Å; K1773-Y1780 HydrophobicContact CG-CD1 4.1Å; K1773-Y1780 VanDerWaalsContact NZ-CE1 3.34Å; T1774-Y1780 CarbonylContact O-C 3.56Å; T1774-Y1780 VanDerWaalsContact O-CA 3.31Å; T1774-Y1780 WeakPolarHBondContact O-CA 3.43Å; R1775-Y1780 HydrophobicContact CB-CD1 3.99Å; R1775-Y1780 HydrophobicContact CB-CE1 3.9Å; R1775-Y1780 HydrophobicContact CG-CD1 4.19Å; R1775-Y1780 HydrophobicContact CG-CE1 3.89Å |
| 1781 | E | 86 | Confident | 79.1 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.5 | 162 | 171 | -177.2 | -155.3 | 0 | 0 | 107.5 | R1746 C1747 F1748 K1773 T1774 Q1776 | R1746-E1781 IonicContact CZ-OE1 3.24Å; R1746-E1781 IonicContact NE-OE1 2.98Å; R1746-E1781 IonicContact NH1-OE1 2.69Å; R1746-E1781 PolarHBondContact NH1-OE1 3.06Å; C1747-E1781 CarbonylContact O-C 3.52Å; C1747-E1781 WeakPolarHBondContact O-CA 3.44Å; F1748-E1781 HydrophobicContact CD1-CB 3.95Å; F1748-E1781 HydrophobicContact CD1-CG 4.1Å; F1748-E1781 HydrophobicContact CE1-CB 3.84Å; F1748-E1781 HydrophobicContact CE1-CG 3.58Å; F1748-E1781 HydrophobicContact CZ-CG 4.04Å; K1773-E1781 CarbonylContact C-O 3.46Å; K1773-E1781 WeakPolarHBondContact CA-O 3.15Å; T1774-E1781 PolarHBondContact N-O 3.45Å; T1774-E1781 PolarHBondContact O-N 3.24Å; T1774-E1781 WeakPolarHBondContact OG1-CB 3.36Å; T1774-E1781 PolarHBondContact OG1-O 3.3Å; T1774-E1781 PolarHBondContact OG1-OE2 3.41Å; Q1776-E1781 HydrophobicContact CG-CB 3.93Å; Q1776-E1781 PolarHBondContact NE2-OE2 3.47Å |
| 1782 | I | 88.1 | Confident | 78.2 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 97.5 | -174.4 | -47.4 | 170.7 | 0 | 0 | 0 | 107.4 | C1747 V1749 G1758 W1760 V1771 T1772 K1773 | C1747-I1782 HydrophobicContact CB-CB 4.31Å; C1747-I1782 PolarHBondContact N-O 2.68Å; C1747-I1782 PolarHBondContact O-N 2.73Å; V1749-I1782 HydrophobicContact CG2-CD1 3.73Å; G1758-I1782 WeakPolarHBondContact O-CD1 3.44Å; W1760-I1782 PolarHBondContact NE1-O 3.47Å; V1771-I1782 HydrophobicContact CG1-CG2 3.76Å; T1772-I1782 CarbonylContact O-C 3.52Å; T1772-I1782 WeakPolarHBondContact O-CA 3.14Å; K1773-I1782 HydrophobicContact CD-CD1 4.3Å; K1773-I1782 HydrophobicContact CD-CG1 3.98Å; K1773-I1782 HydrophobicContact CG-CG1 4.13Å |
| 1783 | S | 86.4 | Confident | 77.7 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.5 | -179.7 | -56 | 0 | 0 | 0 | 0 | 110.1 | L1745 V1771 T1772 | L1745-S1783 CarbonylContact O-C 3.5Å; L1745-S1783 WeakPolarHBondContact O-CA 3.39Å; V1771-S1783 WeakPolarHBondContact CA-O 3.37Å; T1772-S1783 PolarHBondContact N-O 3.13Å; T1772-S1783 PolarHBondContact O-N 3.17Å; T1772-S1783 PolarHBondContact OG1-O 2.84Å |
| 1784 | L | 90.2 | Very high | 77 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125 | 171.5 | 177.6 | 166.5 | 0 | 0 | 0 | 107.7 | E1744 L1745 W1760 P1769 I1786 Y1797 | E1744-L1784 CarbonylContact C-O 3.48Å; E1744-L1784 WeakPolarHBondContact CA-O 3.49Å; L1745-L1784 HydrophobicContact CB-CB 4.33Å; L1745-L1784 PolarHBondContact N-O 3.5Å; L1745-L1784 PolarHBondContact O-N 2.86Å; W1760-L1784 HydrophobicContact CB-CD1 3.8Å; W1760-L1784 HydrophobicContact CD2-CB 4.27Å; W1760-L1784 HydrophobicContact CD2-CD1 3.88Å; W1760-L1784 HydrophobicContact CE3-CD1 4.26Å; W1760-L1784 HydrophobicContact CG-CB 4.08Å; W1760-L1784 HydrophobicContact CG-CD1 3.7Å; P1769-L1784 HydrophobicContact CB-CD1 4.38Å; P1769-L1784 HydrophobicContact CB-CD2 3.62Å; P1769-L1784 HydrophobicContact CB-CG 3.61Å; P1769-L1784 HydrophobicContact CG-CD1 4.02Å; P1769-L1784 HydrophobicContact CG-CD2 4.16Å; P1769-L1784 HydrophobicContact CG-CG 3.75Å; L1784-I1786 HydrophobicContact CD2-CD1 4.49Å; L1784-I1786 HydrophobicContact CD2-CG1 4.09Å; L1784-Y1797 HydrophobicContact CD1-CD1 3.72Å; L1784-Y1797 HydrophobicContact CD1-CE1 4.02Å; L1784-Y1797 HydrophobicContact CD2-CE1 4.37Å |
| 1785 | L | 87.8 | Confident | 76.4 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.5 | -179.8 | -173.5 | 71.3 | 0 | 0 | 0 | 111.5 | P1742 L1743 E1744 I1770 N1787 | P1742-L1785 HydrophobicContact CB-CD1 3.85Å; P1742-L1785 HydrophobicContact CG-CD1 4.22Å; L1743-L1785 CarbonylContact O-C 3.52Å; L1743-L1785 VanDerWaalsContact O-CA 3.31Å; L1743-L1785 WeakPolarHBondContact O-CA 3.02Å; E1744-L1785 HydrophobicContact CB-CD1 3.83Å; E1744-L1785 HydrophobicContact CG-CD1 4.06Å; I1770-L1785 HydrophobicContact CB-CB 4.35Å; I1770-L1785 PolarHBondContact N-O 3.15Å; I1770-L1785 PolarHBondContact O-N 3.07Å; L1785-N1787 VanDerWaalsContact CD2-OD1 3.3Å; L1785-N1787 WeakPolarHBondContact CD2-OD1 3Å |
| 1786 | I | 83 | Confident | 76.3 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 110.6 | 165.2 | -56.9 | -178.6 | 0 | 0 | 0 | 107.8 | P1742 L1743 P1769 L1784 Q1788 D1793 | P1742-I1786 CarbonylContact C-O 3.52Å; P1742-I1786 VanDerWaalsContact CA-O 3.32Å; P1742-I1786 WeakPolarHBondContact CA-O 3.36Å; P1742-I1786 WeakPolarHBondContact CB-O 3.29Å; L1743-I1786 HydrophobicContact CB-CB 4.26Å; L1743-I1786 HydrophobicContact CD2-CD1 4.38Å; L1743-I1786 PolarHBondContact N-O 3.4Å; L1743-I1786 PolarHBondContact O-N 2.99Å; P1769-I1786 HydrophobicContact CB-CD1 4.37Å; P1769-I1786 HydrophobicContact CB-CG1 3.72Å; L1784-I1786 HydrophobicContact CD2-CD1 4.49Å; L1784-I1786 HydrophobicContact CD2-CG1 4.09Å; I1786-Q1788 PolarHBondContact O-N 3.12Å; I1786-D1793 HydrophobicContact CD1-CB 4.2Å |
| 1787 | N | 75.7 | Confident | 76.7 | Confident | 94 Ų | 94 | 48.7 Ų | 48.7 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -65.3 | -24.2 | -171.8 | -71.8 | -17.8 | 0 | 0 | 0 | 114.5 | L1785 | L1785-N1787 VanDerWaalsContact CD2-OD1 3.3Å; L1785-N1787 WeakPolarHBondContact CD2-OD1 3Å |
| 1788 | Q | 70.9 | Confident | 77.4 | Confident | 150 Ų | 150 | 42.1 Ų | 42.1 | 70% | 0.701 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -143.3 | 87.5 | 177.9 | -68.3 | -171.8 | -51.5 | 0 | 0 | 107.7 | Q1767 I1786 | Q1767-Q1788 PolarHBondContact NE2-O 2.98Å; I1786-Q1788 PolarHBondContact O-N 3.12Å |
| 1789 | P | 74.4 | Confident | 78.2 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -67.1 | 147.1 | 178.2 | 28.2 | -33.6 | 0 | 0 | 0 | 111.1 | I1736 H1741 L1743 V1812 | I1736-P1789 HydrophobicContact CD1-CB 4.39Å; I1736-P1789 HydrophobicContact CD1-CG 4.5Å; I1736-P1789 HydrophobicContact CG2-CG 4.19Å; H1741-P1789 WeakPolarHBondContact O-CD 3.03Å; H1741-P1789 WeakPolarHBondContact O-CG 3.16Å; L1743-P1789 HydrophobicContact CB-CB 4.1Å; L1743-P1789 HydrophobicContact CB-CG 4.34Å; P1789-V1812 HydrophobicContact CB-CG1 4.25Å; P1789-V1812 HydrophobicContact CB-CG2 4.21Å | ||
| 1790 | T | 68 | Low | 78.5 | Confident | 51 Ų | 51 | 40.8 Ų | 40.8 | 31% | 0.313 | 20% | 0.203 | S | C | . | . | trans | -128.8 | 167 | 178.8 | 67.5 | 0 | 0 | 0 | 0 | 110 | T1792 D1793 V1812 | T1790-T1792 PolarHBondContact O-N 3.06Å; T1790-T1792 PolarHBondContact OG1-N 3.07Å; T1790-T1792 PolarHBondContact OG1-OG1 3.24Å; T1790-D1793 WeakPolarHBondContact CB-OD2 3.38Å; T1790-D1793 PolarHBondContact N-OD2 3.03Å; T1790-D1793 WeakPolarHBondContact O-CA 3.14Å; T1790-D1793 WeakPolarHBondContact O-CB 3.29Å; T1790-D1793 PolarHBondContact O-N 2.87Å; T1790-D1793 PolarHBondContact OG1-OD2 3.13Å; T1790-V1812 WeakPolarHBondContact O-CB 3.39Å; T1790-V1812 WeakPolarHBondContact O-CG1 3.37Å; T1790-V1812 WeakPolarHBondContact O-CG2 3.13Å | ||
| 1791 | I | 60.3 | Low | 78.3 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -52.7 | -25.9 | 170.7 | -75.1 | 168.2 | 0 | 0 | 0 | 112.7 | D1793 S1794 E1814 K2070 | I1791-D1793 VanDerWaalsContact C-N 3.25Å; I1791-D1793 PolarHBondContact O-N 3.23Å; I1791-S1794 PolarHBondContact O-N 3.29Å; I1791-S1794 PolarHBondContact O-OG 2.81Å; I1791-E1814 HydrophobicContact CD1-CB 3.89Å; I1791-E1814 HydrophobicContact CD1-CG 3.67Å; I1791-E1814 HydrophobicContact CG1-CB 4.48Å; I1791-E1814 HydrophobicContact CG1-CG 4.08Å; I1791-K2070 VanDerWaalsContact CD1-O 3.29Å; I1791-K2070 WeakPolarHBondContact CD1-O 3.44Å |
| 1792 | T | 65.2 | Low | 77.6 | Confident | 67 Ų | 67 | 39.4 Ų | 39.4 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -74.8 | -14.4 | 176.5 | 70.7 | 0 | 0 | 0 | 0 | 113.9 | S1765 A1766 T1790 | S1765-T1792 CarbonylContact C-O 3.55Å; S1765-T1792 VanDerWaalsContact C-O 3.28Å; S1765-T1792 WeakPolarHBondContact CB-O 2.89Å; S1765-T1792 PolarHBondContact OG-O 3Å; A1766-T1792 WeakPolarHBondContact CA-O 3.02Å; A1766-T1792 PolarHBondContact N-O 3.19Å; A1766-T1792 VanDerWaalsContact N-O 3.12Å; T1790-T1792 PolarHBondContact O-N 3.06Å; T1790-T1792 PolarHBondContact OG1-N 3.07Å; T1790-T1792 PolarHBondContact OG1-OG1 3.24Å |
| 1793 | D | 74.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -88.6 | -5 | 176.9 | -57.5 | -68.6 | 0 | 0 | 0 | 113.2 | A1766 Q1767 I1786 T1790 I1791 Y1797 V1812 | A1766-D1793 WeakPolarHBondContact CA-OD1 3.5Å; A1766-D1793 HydrophobicContact CB-CB 4.36Å; A1766-D1793 WeakPolarHBondContact CB-OD1 3.28Å; Q1767-D1793 WeakPolarHBondContact CB-OD1 3.37Å; Q1767-D1793 WeakPolarHBondContact CG-OD1 3.3Å; Q1767-D1793 PolarHBondContact N-OD1 3.26Å; Q1767-D1793 PolarHBondContact NE2-OD2 3.26Å; I1786-D1793 HydrophobicContact CD1-CB 4.2Å; T1790-D1793 WeakPolarHBondContact CB-OD2 3.38Å; T1790-D1793 PolarHBondContact N-OD2 3.03Å; T1790-D1793 WeakPolarHBondContact O-CA 3.14Å; T1790-D1793 WeakPolarHBondContact O-CB 3.29Å; T1790-D1793 PolarHBondContact O-N 2.87Å; T1790-D1793 PolarHBondContact OG1-OD2 3.13Å; I1791-D1793 VanDerWaalsContact C-N 3.25Å; I1791-D1793 PolarHBondContact O-N 3.23Å; D1793-Y1797 VanDerWaalsContact O-CE2 3.24Å; D1793-Y1797 WeakPolarHBondContact O-CE2 3.28Å; D1793-Y1797 PolarHBondContact O-OH 2.01Å; D1793-V1812 HydrophobicContact CB-CG2 4.2Å |
| 1794 | S | 67.6 | Low | 76.3 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | trans | -62.6 | 147.6 | 170 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | I1791 V1810 V1812 | I1791-S1794 PolarHBondContact O-N 3.29Å; I1791-S1794 PolarHBondContact O-OG 2.81Å; S1794-V1810 CarbonylContact C-O 3.6Å; S1794-V1810 WeakPolarHBondContact CA-O 3.03Å; S1794-V1812 PolarHBondContact OG-N 2.75Å; S1794-V1812 PolarHBondContact OG-O 3.19Å | ||
| 1795 | G | 68.3 | Low | 76 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.2 | -171.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1797 V1810 | G1795-Y1797 WeakPolarHBondContact O-CD2 3.34Å; G1795-V1810 PolarHBondContact N-O 2.76Å; G1795-V1810 PolarHBondContact O-N 3.44Å |
| 1796 | R | 77.8 | Confident | 75.8 | Confident | 136 Ų | 136 | 50 Ų | 50 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 125.3 | -178.8 | -173.3 | 159.1 | -72.2 | -179.2 | -2.5 | 112.4 | P1763 F1807 D1809 | P1763-R1796 WeakPolarHBondContact CD-O 2.89Å; R1796-F1807 HydrophobicContact CG-CB 4.13Å; R1796-D1809 VanDerWaalsContact CA-OD1 3.32Å; R1796-D1809 WeakPolarHBondContact CA-OD1 3.02Å; R1796-D1809 WeakPolarHBondContact CB-OD1 3.4Å; R1796-D1809 VanDerWaalsContact CG-OD1 3.28Å; R1796-D1809 WeakPolarHBondContact CG-OD1 3.48Å; R1796-D1809 IonicContact CZ-OD1 2.72Å; R1796-D1809 IonicContact CZ-OD2 2.6Å; R1796-D1809 IonicContact NE-OD1 3.15Å; R1796-D1809 PolarHBondContact NE-OD1 2.9Å; R1796-D1809 IonicContact NE-OD2 2.85Å; R1796-D1809 PolarHBondContact NE-OD2 2.78Å; R1796-D1809 IonicContact NH2-OD1 2.71Å; R1796-D1809 PolarHBondContact NH2-OD1 2.9Å; R1796-D1809 IonicContact NH2-OD2 3.69Å; R1796-D1809 PolarHBondContact NH2-OD2 2.97Å |
| 1797 | Y | 84.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.6 | 168.2 | -69.3 | -102.8 | 0 | 0 | 0 | 109.1 | L1745 I1761 K1762 P1763 L1784 D1793 G1795 F1807 I1808 V1810 | L1745-Y1797 HydrophobicContact CD1-CD1 3.82Å; L1745-Y1797 HydrophobicContact CD1-CD2 4.05Å; L1745-Y1797 HydrophobicContact CD1-CE1 4.47Å; L1745-Y1797 HydrophobicContact CD1-CG 3.57Å; I1761-Y1797 WeakPolarHBondContact O-CA 3.46Å; K1762-Y1797 HydrophobicContact CB-CD1 3.71Å; K1762-Y1797 HydrophobicContact CB-CE1 3.6Å; P1763-Y1797 VanDerWaalsContact CD-CZ 3.48Å; P1763-Y1797 HydrophobicContact CG-CD2 4.26Å; P1763-Y1797 HydrophobicContact CG-CE2 3.84Å; L1784-Y1797 HydrophobicContact CD1-CD1 3.72Å; L1784-Y1797 HydrophobicContact CD1-CE1 4.02Å; L1784-Y1797 HydrophobicContact CD2-CE1 4.37Å; D1793-Y1797 VanDerWaalsContact O-CE2 3.24Å; D1793-Y1797 WeakPolarHBondContact O-CE2 3.28Å; D1793-Y1797 PolarHBondContact O-OH 2.01Å; G1795-Y1797 WeakPolarHBondContact O-CD2 3.34Å; Y1797-F1807 CarbonylContact O-C 3.53Å; Y1797-F1807 VanDerWaalsContact O-CA 3.27Å; Y1797-F1807 WeakPolarHBondContact O-CA 3.04Å; Y1797-I1808 PolarHBondContact N-O 3.19Å; Y1797-I1808 PolarHBondContact O-N 3.19Å; Y1797-V1810 HydrophobicContact CD2-CB 4.04Å; Y1797-V1810 HydrophobicContact CD2-CG2 3.6Å; Y1797-V1810 HydrophobicContact CE2-CB 3.91Å; Y1797-V1810 HydrophobicContact CE2-CG2 3.85Å |
| 1798 | E | 85.5 | Confident | 76.2 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.6 | -178.5 | -171 | -154.6 | 122.7 | 0 | 0 | 109.6 | I1761 R1800 A1805 A1806 F1807 | I1761-E1798 HydrophobicContact CB-CB 4.26Å; I1761-E1798 PolarHBondContact N-O 3.28Å; I1761-E1798 PolarHBondContact O-N 3.17Å; E1798-R1800 VanDerWaalsContact CD-NH2 3.33Å; E1798-R1800 IonicContact OE1-CZ 3.12Å; E1798-R1800 IonicContact OE1-NE 2.69Å; E1798-R1800 PolarHBondContact OE1-NE 3.28Å; E1798-R1800 IonicContact OE1-NH2 2.73Å; E1798-R1800 PolarHBondContact OE1-NH2 3.26Å; E1798-R1800 IonicContact OE2-NH2 3.12Å; E1798-R1800 PolarHBondContact OE2-NH2 3.35Å; E1798-R1800 VanDerWaalsContact OE2-NH2 3.12Å; E1798-A1805 HydrophobicContact CG-CB 3.93Å; E1798-A1805 WeakPolarHBondContact OE1-CB 3.05Å; E1798-A1806 CarbonylContact C-O 3.09Å; E1798-A1806 WeakPolarHBondContact CA-O 3.34Å; E1798-F1807 HydrophobicContact CB-CB 4.42Å; E1798-F1807 HydrophobicContact CG-CB 4.42Å |
| 1799 | C | 87.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.2 | 168.8 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | V1725 I1727 C1747 Q1759 W1760 A1805 A1806 | V1725-C1799 HydrophobicContact CG1-CB 4.28Å; I1727-C1799 HydrophobicContact CD1-CB 3.9Å; I1727-C1799 HydrophobicContact CG1-CB 4.15Å; C1747-C1799 HydrophobicContact CB-CB 3.54Å; C1747-C1799 WeakPolarHBondContact CB-SG 3.31Å; C1747-C1799 WeakPolarHBondContact SG-CB 3.31Å; C1747-C1799 CovalentContact SG-SG 2.02Å; C1747-C1799 PolarHBondContact SG-SG 2.82Å; Q1759-C1799 WeakPolarHBondContact O-CA 3.37Å; W1760-C1799 HydrophobicContact CD2-CB 3.96Å; W1760-C1799 HydrophobicContact CE3-CB 3.82Å; W1760-C1799 HydrophobicContact CH2-CB 4.18Å; W1760-C1799 HydrophobicContact CZ2-CB 4.31Å; W1760-C1799 HydrophobicContact CZ3-CB 3.93Å; C1799-A1805 CarbonylContact O-C 3.58Å; C1799-A1805 WeakPolarHBondContact O-CA 3.43Å; C1799-A1806 PolarHBondContact N-O 2.57Å; C1799-A1806 PolarHBondContact O-N 2.72Å |
| 1800 | R | 83.2 | Confident | 76.5 | Confident | 105 Ų | 105 | 44.5 Ų | 44.5 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.1 | -177.6 | -173.1 | 174.9 | -63.8 | -146.4 | 3.5 | 111.9 | G1758 Q1759 I1761 E1798 G1802 V1804 A1805 | G1758-R1800 CarbonylContact C-O 3.42Å; G1758-R1800 WeakPolarHBondContact CA-O 3.42Å; Q1759-R1800 PolarHBondContact N-O 3.43Å; Q1759-R1800 PolarHBondContact O-N 2.82Å; I1761-R1800 HydrophobicContact CD1-CB 4.36Å; E1798-R1800 VanDerWaalsContact CD-NH2 3.33Å; E1798-R1800 IonicContact OE1-CZ 3.12Å; E1798-R1800 IonicContact OE1-NE 2.69Å; E1798-R1800 PolarHBondContact OE1-NE 3.28Å; E1798-R1800 IonicContact OE1-NH2 2.73Å; E1798-R1800 PolarHBondContact OE1-NH2 3.26Å; E1798-R1800 IonicContact OE2-NH2 3.12Å; E1798-R1800 PolarHBondContact OE2-NH2 3.35Å; E1798-R1800 VanDerWaalsContact OE2-NH2 3.12Å; R1800-G1802 WeakPolarHBondContact CG-O 3.29Å; R1800-V1804 WeakPolarHBondContact CA-O 2.99Å; R1800-A1805 HydrophobicContact CB-CB 4.09Å; R1800-A1805 HydrophobicContact CG-CB 4.13Å |
| 1801 | A | 80 | Confident | 76.4 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 107.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I1723 V1725 V1749 N1803 V1804 | I1723-A1801 HydrophobicContact CG2-CB 4.48Å; V1725-A1801 HydrophobicContact CG2-CB 3.68Å; V1749-A1801 HydrophobicContact CB-CB 4.43Å; V1749-A1801 HydrophobicContact CG1-CB 3.52Å; V1749-A1801 HydrophobicContact CG2-CB 3.97Å; A1801-N1803 PolarHBondContact O-N 2.97Å; A1801-V1804 PolarHBondContact N-O 3.25Å; A1801-V1804 PolarHBondContact O-N 2.98Å; A1801-V1804 VanDerWaalsContact O-N 3.15Å |
| 1802 | G | 71.9 | Confident | 76.8 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -123.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111 | R1800 | R1800-G1802 WeakPolarHBondContact CG-O 3.29Š|
| 1803 | N | 71.2 | Confident | 76.4 | Confident | 171 Ų | 171 | 39.8 Ų | 39.8 | 91% | 0.914 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1.2 | 179.5 | -64.1 | 0.5 | 0 | 0 | 0 | 113.5 | A1801 | A1801-N1803 PolarHBondContact O-N 2.97Š|
| 1804 | V | 74.7 | Confident | 75.4 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 38% | 0.376 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.9 | 179.2 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | V1725 R1800 A1801 | V1725-V1804 HydrophobicContact CB-CG1 4.05Å; V1725-V1804 HydrophobicContact CG2-CB 3.95Å; V1725-V1804 HydrophobicContact CG2-CG1 3.75Å; R1800-V1804 WeakPolarHBondContact CA-O 2.99Å; A1801-V1804 PolarHBondContact N-O 3.25Å; A1801-V1804 PolarHBondContact O-N 2.98Å; A1801-V1804 VanDerWaalsContact O-N 3.15Å |
| 1805 | A | 83.5 | Confident | 74.4 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1798 C1799 R1800 | E1798-A1805 HydrophobicContact CG-CB 3.93Å; E1798-A1805 WeakPolarHBondContact OE1-CB 3.05Å; C1799-A1805 CarbonylContact O-C 3.58Å; C1799-A1805 WeakPolarHBondContact O-CA 3.43Å; R1800-A1805 HydrophobicContact CB-CB 4.09Å; R1800-A1805 HydrophobicContact CG-CB 4.13Å |
| 1806 | A | 83.7 | Confident | 73.3 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 154.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | V1725 I1727 E1730 E1798 C1799 | V1725-A1806 HydrophobicContact CG1-CB 3.92Å; I1727-A1806 VanDerWaalsContact CD1-C 3.49Å; I1727-A1806 HydrophobicContact CD1-CB 3.76Å; I1727-A1806 WeakPolarHBondContact CD1-O 3.02Å; I1727-A1806 HydrophobicContact CG1-CB 3.89Å; E1730-A1806 VanDerWaalsContact CD-CB 3.5Å; E1730-A1806 HydrophobicContact CG-CB 4.18Å; E1730-A1806 WeakPolarHBondContact OE1-CB 3.05Å; E1798-A1806 CarbonylContact C-O 3.09Å; E1798-A1806 WeakPolarHBondContact CA-O 3.34Å; C1799-A1806 PolarHBondContact N-O 2.57Å; C1799-A1806 PolarHBondContact O-N 2.72Å |
| 1807 | F | 85.1 | Confident | 72.1 | Confident | 91 Ų | 91 | 45.1 Ų | 45.1 | 40% | 0.399 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 157.3 | 178 | 63.8 | -88.9 | 0 | 0 | 0 | 112.5 | R1796 Y1797 E1798 | R1796-F1807 HydrophobicContact CG-CB 4.13Å; Y1797-F1807 CarbonylContact O-C 3.53Å; Y1797-F1807 VanDerWaalsContact O-CA 3.27Å; Y1797-F1807 WeakPolarHBondContact O-CA 3.04Å; E1798-F1807 HydrophobicContact CB-CB 4.42Å; E1798-F1807 HydrophobicContact CG-CB 4.42Å |
| 1808 | I | 81.5 | Confident | 71.2 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 139 | 171.4 | -170.2 | 168.2 | 0 | 0 | 0 | 108.4 | I1727 M1728 G1729 M1734 L1745 W1760 Y1797 | I1727-I1808 HydrophobicContact CD1-CG2 4.46Å; I1727-I1808 HydrophobicContact CG2-CB 4.07Å; I1727-I1808 HydrophobicContact CG2-CD1 4.23Å; I1727-I1808 HydrophobicContact CG2-CG2 4.02Å; M1728-I1808 WeakPolarHBondContact O-CD1 3.44Å; G1729-I1808 WeakPolarHBondContact O-CD1 3.32Å; M1734-I1808 HydrophobicContact CB-CD1 4.13Å; M1734-I1808 HydrophobicContact CB-CG1 4.49Å; M1734-I1808 HydrophobicContact CE-CD1 3.81Å; L1745-I1808 HydrophobicContact CD1-CG2 3.93Å; L1745-I1808 HydrophobicContact CD2-CD1 4.28Å; L1745-I1808 HydrophobicContact CD2-CG2 4.06Å; W1760-I1808 HydrophobicContact CH2-CG2 4.45Å; W1760-I1808 HydrophobicContact CZ3-CG2 4.41Å; Y1797-I1808 PolarHBondContact N-O 3.19Å; Y1797-I1808 PolarHBondContact O-N 3.19Å |
| 1809 | D | 75.7 | Confident | 70.6 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120 | 177.1 | -68.5 | -40.7 | 0 | 0 | 0 | 108.6 | V1733 M1734 R1796 | V1733-D1809 CarbonylContact C-O 3.55Å; V1733-D1809 WeakPolarHBondContact CA-O 3.24Å; V1733-D1809 HydrophobicContact CG2-CB 4.49Å; M1734-D1809 PolarHBondContact N-O 3.08Å; R1796-D1809 VanDerWaalsContact CA-OD1 3.32Å; R1796-D1809 WeakPolarHBondContact CA-OD1 3.02Å; R1796-D1809 WeakPolarHBondContact CB-OD1 3.4Å; R1796-D1809 VanDerWaalsContact CG-OD1 3.28Å; R1796-D1809 WeakPolarHBondContact CG-OD1 3.48Å; R1796-D1809 IonicContact CZ-OD1 2.72Å; R1796-D1809 IonicContact CZ-OD2 2.6Å; R1796-D1809 IonicContact NE-OD1 3.15Å; R1796-D1809 PolarHBondContact NE-OD1 2.9Å; R1796-D1809 IonicContact NE-OD2 2.85Å; R1796-D1809 PolarHBondContact NE-OD2 2.78Å; R1796-D1809 IonicContact NH2-OD1 2.71Å; R1796-D1809 PolarHBondContact NH2-OD1 2.9Å; R1796-D1809 IonicContact NH2-OD2 3.69Å; R1796-D1809 PolarHBondContact NH2-OD2 2.97Å |
| 1810 | V | 76.4 | Confident | 70.5 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.03 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.1 | -178.9 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | M1734 I1736 L1743 L1745 S1794 G1795 Y1797 V1812 | M1734-V1810 HydrophobicContact CB-CG2 4.38Å; I1736-V1810 HydrophobicContact CD1-CG1 3.74Å; I1736-V1810 HydrophobicContact CG1-CG1 4.08Å; L1743-V1810 HydrophobicContact CD1-CG1 4.48Å; L1743-V1810 HydrophobicContact CD1-CG2 4.46Å; L1743-V1810 HydrophobicContact CD2-CG1 3.96Å; L1743-V1810 HydrophobicContact CD2-CG2 4.47Å; L1745-V1810 HydrophobicContact CD1-CG2 4.12Å; L1745-V1810 HydrophobicContact CD2-CG2 4.24Å; S1794-V1810 CarbonylContact C-O 3.6Å; S1794-V1810 WeakPolarHBondContact CA-O 3.03Å; G1795-V1810 PolarHBondContact N-O 2.76Å; G1795-V1810 PolarHBondContact O-N 3.44Å; Y1797-V1810 HydrophobicContact CD2-CB 4.04Å; Y1797-V1810 HydrophobicContact CD2-CG2 3.6Å; Y1797-V1810 HydrophobicContact CE2-CB 3.91Å; Y1797-V1810 HydrophobicContact CE2-CG2 3.85Å; V1810-V1812 HydrophobicContact CG1-CG2 4.09Å |
| 1811 | N | 67 | Low | 70.8 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 107.4 | 166.1 | -162.2 | 38.3 | 0 | 0 | 0 | 110.2 | V1733 M1734 H1735 I1736 E1813 N2087 | V1733-N1811 HydrophobicContact CG1-CB 4.35Å; M1734-N1811 PolarHBondContact O-N 2.96Å; H1735-N1811 CarbonylContact C-O 3.59Å; H1735-N1811 WeakPolarHBondContact CA-O 3.34Å; I1736-N1811 PolarHBondContact N-O 3.2Å; N1811-E1813 WeakPolarHBondContact ND2-CG 3.3Å; N1811-E1813 PolarHBondContact ND2-OE1 3.28Å; N1811-E1813 PolarHBondContact O-N 3.43Å; N1811-N2087 PolarHBondContact ND2-OD1 2.98Å; N1811-N2087 PolarHBondContact OD1-OD1 2.95Å |
| 1812 | V | 68.3 | Low | 71.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 110.9 | 168.5 | -168.3 | 0 | 0 | 0 | 0 | 108.3 | I1736 I1739 P1789 T1790 D1793 S1794 V1810 N2087 | I1736-V1812 HydrophobicContact CB-CG1 4.43Å; I1736-V1812 HydrophobicContact CD1-CG2 4.12Å; I1739-V1812 HydrophobicContact CG2-CG1 3.8Å; P1789-V1812 HydrophobicContact CB-CG1 4.25Å; P1789-V1812 HydrophobicContact CB-CG2 4.21Å; T1790-V1812 WeakPolarHBondContact O-CB 3.39Å; T1790-V1812 WeakPolarHBondContact O-CG1 3.37Å; T1790-V1812 WeakPolarHBondContact O-CG2 3.13Å; D1793-V1812 HydrophobicContact CB-CG2 4.2Å; S1794-V1812 PolarHBondContact OG-N 2.75Å; S1794-V1812 PolarHBondContact OG-O 3.19Å; V1810-V1812 HydrophobicContact CG1-CG2 4.09Å; V1812-N2087 PolarHBondContact O-ND2 3.1Å |
| 1813 | E | 57.4 | Low | 72.2 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | trans | -101.3 | 110.8 | 176.9 | -67.1 | 175.7 | -178.3 | 0 | 0 | 106.9 | H1735 I1736 T1737 N1811 S1815 | H1735-E1813 IonicContact CE1-OE1 3.29Å; H1735-E1813 PolarHBondContact CE1-OE1 2.03Å; H1735-E1813 IonicContact CG-OE1 3.53Å; H1735-E1813 IonicContact ND1-OE1 3.91Å; H1735-E1813 PolarHBondContact ND1-OE1 3.24Å; H1735-E1813 IonicContact ND1-OE2 3.54Å; I1736-E1813 PolarHBondContact O-N 2.76Å; I1736-E1813 VanDerWaalsContact O-O 3.1Å; T1737-E1813 HydrophobicContact CG2-CB 4.41Å; N1811-E1813 WeakPolarHBondContact ND2-CG 3.3Å; N1811-E1813 PolarHBondContact ND2-OE1 3.28Å; N1811-E1813 PolarHBondContact O-N 3.43Å; E1813-S1815 PolarHBondContact O-N 3.48Å | ||
| 1814 | E | 52.1 | Low | 73 | Confident | 79 Ų | 79 | 35.7 Ų | 35.7 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | trans | -61.1 | 109.6 | 155.7 | -79.1 | -167.9 | 154.2 | 0 | 0 | 105.9 | I1791 A1816 | I1791-E1814 HydrophobicContact CD1-CB 3.89Å; I1791-E1814 HydrophobicContact CD1-CG 3.67Å; I1791-E1814 HydrophobicContact CG1-CB 4.48Å; I1791-E1814 HydrophobicContact CG1-CG 4.08Å; E1814-A1816 WeakPolarHBondContact O-CA 3.43Å; E1814-A1816 PolarHBondContact O-N 2.74Å | ||
| 1815 | S | 46.2 | Very low | 73.5 | Confident | 81 Ų | 81 | 33.1 Ų | 33.1 | 57% | 0.566 | 19% | 0.194 | S | C | * | . | trans | -29.1 | 108.4 | 177.3 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | E1813 I1817 | E1813-S1815 PolarHBondContact O-N 3.48Å; S1815-I1817 PolarHBondContact O-N 2.79Å | ||
| 1816 | A | 45.4 | Very low | 73.3 | Confident | 53 Ų | 53 | 31.2 Ų | 31.2 | 44% | 0.438 | 18% | 0.178 | S | C | . | . | trans | -55.1 | 95.6 | -153.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1814 P1818 D1836 | E1814-A1816 WeakPolarHBondContact O-CA 3.43Å; E1814-A1816 PolarHBondContact O-N 2.74Å; A1816-P1818 WeakPolarHBondContact O-CD 3.34Å; A1816-P1818 VanDerWaalsContact O-N 3.17Å; A1816-D1836 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 1817 | I | 53.9 | Low | 72.9 | Confident | 84 Ų | 84 | 33 Ų | 33 | 43% | 0.431 | 19% | 0.187 | S | C | . | . | trans | -68.2 | 113.3 | 176.4 | -60.3 | 172.6 | 0 | 0 | 0 | 106.4 | S1815 F1819 | S1815-I1817 PolarHBondContact O-N 2.79Å; I1817-F1819 VanDerWaalsContact O-CD1 3.28Å; I1817-F1819 WeakPolarHBondContact O-CD1 3.13Å; I1817-F1819 PolarHBondContact O-N 2.96Å | ||
| 1818 | P | 64.3 | Low | 72.7 | Confident | 84 Ų | 84 | 29.1 Ų | 29.1 | 55% | 0.545 | 17% | 0.173 | S | C | . | . | trans | -65.1 | 110.8 | -176 | 25.8 | -33.4 | 0 | 0 | 0 | 109.7 | A1816 | A1816-P1818 WeakPolarHBondContact O-CD 3.34Å; A1816-P1818 VanDerWaalsContact O-N 3.17Å | ||
| 1819 | F | 74.3 | Confident | 73 | Confident | 32 Ų | 32 | 29.4 Ų | 29.4 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | trans | -106.4 | 153.4 | 177.9 | 55.4 | -102.8 | 0 | 0 | 0 | 110.8 | I1817 V1821 S1834 Y2069 L2074 V2108 | I1817-F1819 VanDerWaalsContact O-CD1 3.28Å; I1817-F1819 WeakPolarHBondContact O-CD1 3.13Å; I1817-F1819 PolarHBondContact O-N 2.96Å; F1819-V1821 HydrophobicContact CD2-CG2 3.85Å; F1819-V1821 HydrophobicContact CE2-CG2 3.64Å; F1819-V1821 PolarHBondContact O-N 2.98Å; F1819-S1834 WeakPolarHBondContact CD1-OG 3.14Å; F1819-S1834 PolarHBondContact N-OG 3.23Å; F1819-S1834 PolarHBondContact O-N 2.77Å; F1819-S1834 PolarHBondContact O-OG 3.36Å; F1819-Y2069 HydrophobicContact CB-CD1 4.12Å; F1819-Y2069 HydrophobicContact CB-CE1 3.62Å; F1819-Y2069 AromaticContact CD1-CD1 3.55Å; F1819-Y2069 HydrophobicContact CD1-CD1 3.55Å; F1819-Y2069 AromaticContact CD1-CE1 3.58Å; F1819-Y2069 HydrophobicContact CD1-CE1 3.58Å; F1819-Y2069 HydrophobicContact CD2-CD1 4.15Å; F1819-Y2069 AromaticContact CE1-CD1 3.93Å; F1819-Y2069 HydrophobicContact CE1-CD1 3.93Å; F1819-Y2069 HydrophobicContact CE1-CE1 4.38Å; F1819-Y2069 HydrophobicContact CE2-CD1 4.48Å; F1819-Y2069 AromaticContact CG-CD1 3.68Å; F1819-Y2069 HydrophobicContact CG-CD1 3.68Å; F1819-Y2069 AromaticContact CG-CE1 3.66Å; F1819-Y2069 HydrophobicContact CG-CE1 3.66Å; F1819-Y2069 HydrophobicContact CZ-CD1 4.38Å; F1819-L2074 HydrophobicContact CE2-CD1 3.68Å; F1819-L2074 HydrophobicContact CZ-CD1 4.04Å; F1819-V2108 HydrophobicContact CB-CG1 4.2Å; F1819-V2108 HydrophobicContact CD2-CB 4.47Å; F1819-V2108 HydrophobicContact CD2-CG1 3.65Å; F1819-V2108 HydrophobicContact CD2-CG2 3.9Å; F1819-V2108 HydrophobicContact CE2-CG1 4.36Å; F1819-V2108 HydrophobicContact CE2-CG2 3.85Å; F1819-V2108 HydrophobicContact CG-CG1 4.15Å | ||
| 1820 | T | 83.9 | Confident | 73.6 | Confident | 37 Ų | 37 | 27.5 Ų | 27.5 | 23% | 0.227 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 119.2 | -177.6 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | L1822 M1831 V2108 L2109 | T1820-L1822 HydrophobicContact CG2-CD2 3.9Å; T1820-L1822 HydrophobicContact CG2-CG 4.29Å; T1820-M1831 HydrophobicContact CG2-CG 3.6Å; T1820-M1831 HydrophobicContact CG2-SD 3.74Å; T1820-V2108 CarbonylContact O-C 2.98Å; T1820-V2108 WeakPolarHBondContact O-CA 3.28Å; T1820-L2109 PolarHBondContact O-N 2.84Å |
| 1821 | V | 89.7 | Confident | 74.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.7 | 172.4 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | F1819 L1823 T1832 L2106 V2108 | F1819-V1821 HydrophobicContact CD2-CG2 3.85Å; F1819-V1821 HydrophobicContact CE2-CG2 3.64Å; F1819-V1821 PolarHBondContact O-N 2.98Å; V1821-L1823 HydrophobicContact CG1-CD2 4.44Å; V1821-L1823 HydrophobicContact CG1-CG 4.33Å; V1821-T1832 HydrophobicContact CB-CG2 3.88Å; V1821-T1832 HydrophobicContact CG1-CG2 4.33Å; V1821-T1832 PolarHBondContact N-O 2.04Å; V1821-T1832 PolarHBondContact O-N 2.91Å; V1821-L2106 HydrophobicContact CG1-CD1 4.16Å; V1821-L2106 HydrophobicContact CG1-CG 4.21Å; V1821-V2108 HydrophobicContact CG2-CG2 4.42Å |
| 1822 | L | 90.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.8 | 178.4 | -59.6 | 177.3 | 0 | 0 | 0 | 109.2 | T1820 L1830 M1831 W1845 M1858 I1867 L2106 S2107 | T1820-L1822 HydrophobicContact CG2-CD2 3.9Å; T1820-L1822 HydrophobicContact CG2-CG 4.29Å; L1822-L1830 WeakPolarHBondContact CA-O 3.34Å; L1822-M1831 HydrophobicContact CD2-CB 3.74Å; L1822-M1831 HydrophobicContact CD2-CG 3.77Å; L1822-W1845 HydrophobicContact CD1-CZ3 4.23Å; L1822-W1845 HydrophobicContact CD2-CE3 3.87Å; L1822-W1845 HydrophobicContact CD2-CZ3 3.94Å; L1822-M1858 HydrophobicContact CB-CE 3.76Å; L1822-M1858 HydrophobicContact CB-SD 4.34Å; L1822-M1858 WeakPolarHBondContact O-CE 3Å; L1822-I1867 HydrophobicContact CD1-CD1 4.38Å; L1822-I1867 HydrophobicContact CD1-CG2 3.44Å; L1822-I1867 VanDerWaalsContact CD1-CG2 3.44Å; L1822-L2106 WeakPolarHBondContact O-CA 2.99Å; L1822-S2107 PolarHBondContact N-O 2.94Å; L1822-S2107 PolarHBondContact O-N 2.98Å |
| 1823 | L | 91.5 | Very high | 75.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.4 | -174.5 | -65.2 | 165.6 | 0 | 0 | 0 | 109.6 | V1821 L1830 T1832 T2076 Y2083 V2094 F2103 L2106 | V1821-L1823 HydrophobicContact CG1-CD2 4.44Å; V1821-L1823 HydrophobicContact CG1-CG 4.33Å; L1823-L1830 HydrophobicContact CB-CB 4.31Å; L1823-L1830 PolarHBondContact N-O 2.87Å; L1823-L1830 PolarHBondContact O-N 3.42Å; L1823-T1832 HydrophobicContact CD1-CG2 4.23Å; L1823-T2076 HydrophobicContact CD2-CG2 3.75Å; L1823-Y2083 HydrophobicContact CD1-CD1 4.2Å; L1823-V2094 HydrophobicContact CD1-CG2 3.92Å; L1823-F2103 HydrophobicContact CB-CD1 4.13Å; L1823-F2103 HydrophobicContact CB-CE1 4.43Å; L1823-F2103 HydrophobicContact CB-CG 4.37Å; L1823-F2103 HydrophobicContact CD1-CD2 4.21Å; L1823-F2103 HydrophobicContact CD1-CE1 4.29Å; L1823-F2103 HydrophobicContact CD1-CE2 3.93Å; L1823-F2103 HydrophobicContact CD1-CZ 3.97Å; L1823-F2103 HydrophobicContact CD2-CB 4.32Å; L1823-F2103 HydrophobicContact CD2-CD2 4.06Å; L1823-F2103 HydrophobicContact CD2-CG 4.11Å; L1823-L2106 HydrophobicContact CD2-CB 4.12Å; L1823-L2106 HydrophobicContact CD2-CD1 3.84Å; L1823-L2106 HydrophobicContact CD2-CG 4.1Å |
| 1824 | T | 88.6 | Confident | 76.6 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.3 | 171.7 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | G1828 I1829 V1856 M1858 F2103 Q2104 A2105 | T1824-G1828 WeakPolarHBondContact CA-O 3.41Å; T1824-I1829 HydrophobicContact CG2-CG1 4.47Å; T1824-V1856 HydrophobicContact CG2-CG1 4.07Å; T1824-M1858 HydrophobicContact CG2-CE 3.85Å; T1824-M1858 HydrophobicContact CG2-SD 4.07Å; T1824-F2103 WeakPolarHBondContact O-CA 3.39Å; T1824-Q2104 PolarHBondContact O-N 2.89Å; T1824-Q2104 VanDerWaalsContact O-N 3.12Å; T1824-Q2104 WeakPolarHBondContact OG1-CB 3.47Å; T1824-A2105 HydrophobicContact CG2-CB 4.19Å; T1824-A2105 PolarHBondContact N-O 3.09Å; T1824-A2105 VanDerWaalsContact N-O 3.17Å; T1824-A2105 PolarHBondContact OG1-N 2.83Å |
| 1825 | S | 85.1 | Confident | 77.4 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 175.3 | 175.8 | 70.6 | 0 | 0 | 0 | 0 | 110.8 | D1827 G1828 | S1825-D1827 PolarHBondContact O-N 3.33Å; S1825-D1827 VanDerWaalsContact O-N 3.16Å; S1825-D1827 PolarHBondContact OG-N 3.09Å; S1825-G1828 PolarHBondContact N-O 3.39Å; S1825-G1828 PolarHBondContact O-N 2.67Å; S1825-G1828 VanDerWaalsContact O-N 3.17Å |
| 1826 | D | 78.1 | Confident | 78.3 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.032 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -5.5 | 172.9 | -62.4 | -62.5 | 0 | 0 | 0 | 113.6 | K1852 Y1853 S2100 R2102 Q2104 | D1826-K1852 HydrophobicContact CB-CG 3.99Å; D1826-Y1853 WeakPolarHBondContact OD1-CA 3.28Å; D1826-Y1853 PolarHBondContact OD1-N 2.87Å; D1826-S2100 PolarHBondContact N-OG 3.35Å; D1826-S2100 WeakPolarHBondContact OD2-CB 3.27Å; D1826-S2100 PolarHBondContact OD2-OG 3.38Å; D1826-R2102 IonicContact OD1-NH1 3.94Å; D1826-R2102 IonicContact OD1-NH2 3.41Å; D1826-R2102 IonicContact OD2-CZ 2.74Å; D1826-R2102 IonicContact OD2-NH1 2.75Å; D1826-R2102 PolarHBondContact OD2-NH1 3.32Å; D1826-Q2104 PolarHBondContact OD1-NE2 3.09Å |
| 1827 | D | 75.4 | Confident | 79.6 | Confident | 39 Ų | 39 | 34.2 Ų | 34.2 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -12.2 | 172.9 | -63.2 | -33.6 | 0 | 0 | 0 | 113.9 | S1825 I1847 A1848 C2098 C2099 | S1825-D1827 PolarHBondContact O-N 3.33Å; S1825-D1827 VanDerWaalsContact O-N 3.16Å; S1825-D1827 PolarHBondContact OG-N 3.09Å; D1827-I1847 CarbonylContact O-C 3.38Å; D1827-A1848 PolarHBondContact O-N 3.22Å; D1827-C2098 VanDerWaalsContact OD2-CB 3.29Å; D1827-C2098 WeakPolarHBondContact OD2-CB 3.23Å; D1827-C2098 PolarHBondContact OD2-N 2.74Å; D1827-C2099 WeakPolarHBondContact OD1-CB 3.22Å |
| 1828 | G | 82.7 | Confident | 80.7 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 9% | 0.093 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.2 | -144.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1824 S1825 N1846 | T1824-G1828 WeakPolarHBondContact CA-O 3.41Å; S1825-G1828 PolarHBondContact N-O 3.39Å; S1825-G1828 PolarHBondContact O-N 2.67Å; S1825-G1828 VanDerWaalsContact O-N 3.17Å; G1828-N1846 CarbonylContact C-O 3.51Å; G1828-N1846 WeakPolarHBondContact CA-O 3.08Å |
| 1829 | I | 87 | Confident | 81.5 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 120.6 | -179.5 | -55.7 | -179.1 | 0 | 0 | 0 | 109 | T1824 W1845 N1846 M1858 I1867 Y1869 L1889 | T1824-I1829 HydrophobicContact CG2-CG1 4.47Å; I1829-W1845 PolarHBondContact O-N 3.21Å; I1829-N1846 HydrophobicContact CB-CB 4.27Å; I1829-N1846 HydrophobicContact CD1-CB 4.5Å; I1829-N1846 HydrophobicContact CG1-CB 4.46Å; I1829-N1846 PolarHBondContact N-O 2.94Å; I1829-N1846 PolarHBondContact O-N 2.86Å; I1829-M1858 HydrophobicContact CD1-SD 4.5Å; I1829-M1858 HydrophobicContact CG2-SD 4.28Å; I1829-I1867 HydrophobicContact CD1-CD1 3.92Å; I1829-I1867 HydrophobicContact CG2-CD1 4.37Å; I1829-Y1869 HydrophobicContact CD1-CD1 3.8Å; I1829-Y1869 HydrophobicContact CD1-CD2 4.13Å; I1829-Y1869 HydrophobicContact CD1-CE1 3.74Å; I1829-Y1869 HydrophobicContact CD1-CE2 4.09Å; I1829-Y1869 HydrophobicContact CD1-CG 4Å; I1829-L1889 HydrophobicContact CD1-CD2 4Å |
| 1830 | L | 88.5 | Confident | 81.9 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.2 | 177.5 | -59 | 176.8 | 0 | 0 | 0 | 110.1 | L1822 L1823 A1842 T1843 L1844 V2097 F2103 | L1822-L1830 WeakPolarHBondContact CA-O 3.34Å; L1823-L1830 HydrophobicContact CB-CB 4.31Å; L1823-L1830 PolarHBondContact N-O 2.87Å; L1823-L1830 PolarHBondContact O-N 3.42Å; L1830-A1842 HydrophobicContact CB-CB 4.19Å; L1830-A1842 HydrophobicContact CD1-CB 4.25Å; L1830-A1842 HydrophobicContact CD2-CB 4.39Å; L1830-T1843 CarbonylContact C-O 3.48Å; L1830-T1843 WeakPolarHBondContact CA-O 3.07Å; L1830-L1844 HydrophobicContact CD2-CB 4.33Å; L1830-L1844 HydrophobicContact CD2-CD1 3.77Å; L1830-V2097 HydrophobicContact CD1-CG1 4.18Å; L1830-V2097 HydrophobicContact CD1-CG2 3.93Å; L1830-F2103 HydrophobicContact CD1-CE1 3.94Å |
| 1831 | M | 87.6 | Confident | 81.9 | Confident | 46 Ų | 46 | 37 Ų | 37 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 140.5 | 170.1 | -179.6 | 174.1 | 64.6 | 0 | 0 | 110.5 | T1820 L1822 A1842 T1843 W1845 | T1820-M1831 HydrophobicContact CG2-CG 3.6Å; T1820-M1831 HydrophobicContact CG2-SD 3.74Å; L1822-M1831 HydrophobicContact CD2-CB 3.74Å; L1822-M1831 HydrophobicContact CD2-CG 3.77Å; M1831-A1842 CarbonylContact O-C 3.51Å; M1831-A1842 WeakPolarHBondContact O-CA 3.46Å; M1831-T1843 PolarHBondContact N-O 3.16Å; M1831-T1843 PolarHBondContact O-N 3.17Å; M1831-T1843 PolarHBondContact O-OG1 3.46Å; M1831-W1845 HydrophobicContact CB-CB 4.12Å; M1831-W1845 HydrophobicContact CB-CD2 4.11Å; M1831-W1845 HydrophobicContact CB-CE3 4.35Å; M1831-W1845 HydrophobicContact CB-CG 4.03Å; M1831-W1845 HydrophobicContact CE-CD2 4.35Å; M1831-W1845 HydrophobicContact CE-CG 4.4Å; M1831-W1845 HydrophobicContact CE-CZ2 4.35Å; M1831-W1845 HydrophobicContact SD-CD2 3.99Å; M1831-W1845 HydrophobicContact SD-CE3 4.33Å; M1831-W1845 HydrophobicContact SD-CH2 4.14Å; M1831-W1845 HydrophobicContact SD-CZ2 3.81Å; M1831-W1845 HydrophobicContact SD-CZ3 4.4Å |
| 1832 | T | 87.1 | Confident | 81.7 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 170.3 | 169.8 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | V1821 L1823 T1840 K1841 Y2083 | V1821-T1832 HydrophobicContact CB-CG2 3.88Å; V1821-T1832 HydrophobicContact CG1-CG2 4.33Å; V1821-T1832 PolarHBondContact N-O 2.04Å; V1821-T1832 PolarHBondContact O-N 2.91Å; L1823-T1832 HydrophobicContact CD1-CG2 4.23Å; T1832-T1840 HydrophobicContact CG2-CG2 4.08Å; T1832-T1840 WeakPolarHBondContact OG1-CG2 3.04Å; T1832-T1840 PolarHBondContact OG1-OG1 3.2Å; T1832-K1841 WeakPolarHBondContact CB-O 3.28Å; T1832-K1841 PolarHBondContact OG1-O 3.48Å; T1832-Y2083 HydrophobicContact CG2-CE1 4.18Å |
| 1833 | Q | 81.7 | Confident | 81.3 | Confident | 110 Ų | 110 | 41.1 Ų | 41.1 | 51% | 0.514 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 146.1 | 173.3 | -71.2 | 177.4 | -15.4 | 0 | 0 | 109.9 | T1835 T1840 | Q1833-T1835 HydrophobicContact CB-CG2 4.38Å; Q1833-T1835 PolarHBondContact O-N 3.17Å; Q1833-T1840 PolarHBondContact O-OG1 3.32Å |
| 1834 | S | 75.6 | Confident | 80.8 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 12% | 0.119 | 25% | 0.248 | C | C | . | . | trans | -64.8 | 127 | 161.5 | 62.1 | 0 | 0 | 0 | 0 | 108.8 | F1819 | F1819-S1834 WeakPolarHBondContact CD1-OG 3.14Å; F1819-S1834 PolarHBondContact N-OG 3.23Å; F1819-S1834 PolarHBondContact O-N 2.77Å; F1819-S1834 PolarHBondContact O-OG 3.36Å | ||
| 1835 | T | 69.3 | Low | 80.2 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 36% | 0.362 | 25% | 0.25 | S | C | . | . | trans | -136 | 161.6 | 178.5 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | Q1833 S1837 | Q1833-T1835 HydrophobicContact CB-CG2 4.38Å; Q1833-T1835 PolarHBondContact O-N 3.17Å; T1835-S1837 PolarHBondContact O-N 3.22Å | ||
| 1836 | D | 63.7 | Low | 79.7 | Confident | 112 Ų | 112 | 47 Ų | 47 | 60% | 0.599 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -70 | 13 | 176.7 | -59.9 | -58.4 | 0 | 0 | 0 | 114.3 | A1816 R2090 | A1816-D1836 WeakPolarHBondContact CB-OD1 3.48Å; D1836-R2090 PolarHBondContact O-NH1 2.96Å |
| 1837 | S | 72.6 | Confident | 79.3 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -107.6 | 139.6 | -178.8 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | T1835 V1839 | T1835-S1837 PolarHBondContact O-N 3.22Å; S1837-V1839 WeakPolarHBondContact CB-O 2.99Å; S1837-V1839 PolarHBondContact O-N 3.29Å; S1837-V1839 PolarHBondContact OG-N 3.03Å; S1837-V1839 PolarHBondContact OG-O 2.04Å |
| 1838 | N | 77.5 | Confident | 78.7 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -68.4 | 2.7 | 169.5 | -64.5 | -12.7 | 0 | 0 | 0 | 112.9 | R2093 | N1838-R2093 PolarHBondContact O-N 2.88Š|
| 1839 | V | 81 | Confident | 77.8 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.3 | 176.8 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | S1837 R2093 R2095 | S1837-V1839 WeakPolarHBondContact CB-O 2.99Å; S1837-V1839 PolarHBondContact O-N 3.29Å; S1837-V1839 PolarHBondContact OG-N 3.03Å; S1837-V1839 PolarHBondContact OG-O 2.04Å; V1839-R2093 VanDerWaalsContact CA-O 3.31Å; V1839-R2093 WeakPolarHBondContact CA-O 3.12Å; V1839-R2095 HydrophobicContact CG1-CG 3.83Å |
| 1840 | T | 83.8 | Confident | 76.9 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 167.1 | 173.7 | -163.5 | 0 | 0 | 0 | 0 | 111.8 | T1832 Q1833 Y2083 I2092 R2093 V2094 R2095 | T1832-T1840 HydrophobicContact CG2-CG2 4.08Å; T1832-T1840 WeakPolarHBondContact OG1-CG2 3.04Å; T1832-T1840 PolarHBondContact OG1-OG1 3.2Å; Q1833-T1840 PolarHBondContact O-OG1 3.32Å; T1840-Y2083 HydrophobicContact CG2-CE1 4.01Å; T1840-I2092 HydrophobicContact CG2-CG2 3.71Å; T1840-R2093 PolarHBondContact N-O 3.48Å; T1840-V2094 HydrophobicContact CG2-CG2 4.19Å; T1840-R2095 PolarHBondContact O-N 3.11Å |
| 1841 | K | 84 | Confident | 75.7 | Confident | 137 Ų | 137 | 59.6 Ų | 59.6 | 60% | 0.596 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 134.1 | 178 | -59.2 | -171 | 176.8 | -173.6 | 0 | 110 | T1832 Y2096 | T1832-K1841 WeakPolarHBondContact CB-O 3.28Å; T1832-K1841 PolarHBondContact OG1-O 3.48Å; K1841-Y2096 HydrophobicContact CB-CD2 4.04Å; K1841-Y2096 HydrophobicContact CB-CE2 4.26Å; K1841-Y2096 HydrophobicContact CD-CD2 4.27Å; K1841-Y2096 HydrophobicContact CD-CE2 3.66Å; K1841-Y2096 HydrophobicContact CG-CD2 4.05Å; K1841-Y2096 HydrophobicContact CG-CE2 3.77Å |
| 1842 | A | 83.8 | Confident | 74.6 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 7% | 0.066 | 33% | 0.332 | C | S | . | . | trans | -88.9 | 150.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1830 M1831 V2094 R2095 | L1830-A1842 HydrophobicContact CB-CB 4.19Å; L1830-A1842 HydrophobicContact CD1-CB 4.25Å; L1830-A1842 HydrophobicContact CD2-CB 4.39Å; M1831-A1842 CarbonylContact O-C 3.51Å; M1831-A1842 WeakPolarHBondContact O-CA 3.46Å; A1842-V2094 HydrophobicContact CB-CG1 3.64Å; A1842-R2095 PolarHBondContact N-O 3.4Å | ||
| 1843 | T | 83 | Confident | 73.5 | Confident | 77 Ų | 77 | 68.9 Ų | 68.9 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.4 | 159.5 | 53 | 0 | 0 | 0 | 0 | 109 | L1830 M1831 W1845 | L1830-T1843 CarbonylContact C-O 3.48Å; L1830-T1843 WeakPolarHBondContact CA-O 3.07Å; M1831-T1843 PolarHBondContact N-O 3.16Å; M1831-T1843 PolarHBondContact O-N 3.17Å; M1831-T1843 PolarHBondContact O-OG1 3.46Å; T1843-W1845 PolarHBondContact O-N 2.84Å |
| 1844 | L | 81.5 | Confident | 72.9 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 119.6 | 174.9 | -176.1 | 64.5 | 0 | 0 | 0 | 109.1 | L1830 N1846 I1847 | L1830-L1844 HydrophobicContact CD2-CB 4.33Å; L1830-L1844 HydrophobicContact CD2-CD1 3.77Å; L1844-N1846 VanDerWaalsContact CD1-O 3.29Å; L1844-N1846 WeakPolarHBondContact CD1-O 3.35Å; L1844-I1847 HydrophobicContact CD2-CG1 4.15Å |
| 1845 | W | 74.4 | Confident | 73.1 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -29.4 | -169.6 | -142.4 | 38.2 | 0 | 0 | 0 | 113 | L1822 I1829 M1831 T1843 S1882 Q1886 L1889 | L1822-W1845 HydrophobicContact CD1-CZ3 4.23Å; L1822-W1845 HydrophobicContact CD2-CE3 3.87Å; L1822-W1845 HydrophobicContact CD2-CZ3 3.94Å; I1829-W1845 PolarHBondContact O-N 3.21Å; M1831-W1845 HydrophobicContact CB-CB 4.12Å; M1831-W1845 HydrophobicContact CB-CD2 4.11Å; M1831-W1845 HydrophobicContact CB-CE3 4.35Å; M1831-W1845 HydrophobicContact CB-CG 4.03Å; M1831-W1845 HydrophobicContact CE-CD2 4.35Å; M1831-W1845 HydrophobicContact CE-CG 4.4Å; M1831-W1845 HydrophobicContact CE-CZ2 4.35Å; M1831-W1845 HydrophobicContact SD-CD2 3.99Å; M1831-W1845 HydrophobicContact SD-CE3 4.33Å; M1831-W1845 HydrophobicContact SD-CH2 4.14Å; M1831-W1845 HydrophobicContact SD-CZ2 3.81Å; M1831-W1845 HydrophobicContact SD-CZ3 4.4Å; T1843-W1845 PolarHBondContact O-N 2.84Å; W1845-S1882 VanDerWaalsContact CH2-OG 3.23Å; W1845-S1882 WeakPolarHBondContact CH2-OG 3.16Å; W1845-S1882 WeakPolarHBondContact CZ3-OG 3.14Å; W1845-Q1886 PolarHBondContact NE1-O 3.34Å; W1845-L1889 HydrophobicContact CD2-CB 4.23Å; W1845-L1889 HydrophobicContact CD2-CD1 4.47Å; W1845-L1889 HydrophobicContact CE3-CB 4.27Å; W1845-L1889 HydrophobicContact CE3-CD1 3.81Å; W1845-L1889 HydrophobicContact CG-CB 4.43Å; W1845-L1889 HydrophobicContact CH2-CD1 4.26Å; W1845-L1889 HydrophobicContact CZ3-CD1 3.69Å; W1845-L1889 VanDerWaalsContact O-CB 3.28Å; W1845-L1889 WeakPolarHBondContact O-CB 3.19Å; W1845-L1889 PolarHBondContact O-N 2.83Å |
| 1846 | N | 76.4 | Confident | 73.9 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 17% | 0.166 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 148.3 | 158.6 | -169.9 | 26.7 | 0 | 0 | 0 | 110.3 | G1828 I1829 L1844 Y1869 L1889 | G1828-N1846 CarbonylContact C-O 3.51Å; G1828-N1846 WeakPolarHBondContact CA-O 3.08Å; I1829-N1846 HydrophobicContact CB-CB 4.27Å; I1829-N1846 HydrophobicContact CD1-CB 4.5Å; I1829-N1846 HydrophobicContact CG1-CB 4.46Å; I1829-N1846 PolarHBondContact N-O 2.94Å; I1829-N1846 PolarHBondContact O-N 2.86Å; L1844-N1846 VanDerWaalsContact CD1-O 3.29Å; L1844-N1846 WeakPolarHBondContact CD1-O 3.35Å; N1846-Y1869 PolarHBondContact ND2-OH 3.31Å; N1846-L1889 HydrophobicContact CB-CB 4.29Å; N1846-L1889 HydrophobicContact CB-CD2 4.02Å |
| 1847 | I | 68.2 | Low | 75.2 | Confident | 123 Ų | 123 | 61 Ų | 61 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 154 | 175.4 | -62.1 | 169.7 | 0 | 0 | 0 | 109.7 | D1827 L1844 E1849 | D1827-I1847 CarbonylContact O-C 3.38Å; L1844-I1847 HydrophobicContact CD2-CG1 4.15Å; I1847-E1849 PolarHBondContact O-N 3.36Å; I1847-E1849 VanDerWaalsContact O-N 3.11Å |
| 1848 | A | 62.8 | Low | 76.1 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 34% | 0.339 | 30% | 0.301 | S | S | . | . | trans | -60.1 | 109.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1827 | D1827-A1848 PolarHBondContact O-N 3.22Š| ||
| 1849 | E | 65.1 | Low | 76.7 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -65.6 | -176.3 | 151.8 | -63.6 | 154.6 | 155.2 | 0 | 0 | 109.3 | I1847 N1851 Y1869 S1871 R1878 | I1847-E1849 PolarHBondContact O-N 3.36Å; I1847-E1849 VanDerWaalsContact O-N 3.11Å; E1849-N1851 VanDerWaalsContact C-N 3.27Å; E1849-N1851 PolarHBondContact O-N 3.49Å; E1849-Y1869 PolarHBondContact OE1-OH 3.09Å; E1849-Y1869 WeakPolarHBondContact OE2-CE2 3.22Å; E1849-Y1869 PolarHBondContact OE2-OH 3.45Å; E1849-S1871 WeakPolarHBondContact OE2-CB 3.05Å; E1849-R1878 VanDerWaalsContact CD-CD 3.42Å; E1849-R1878 WeakPolarHBondContact OE1-CD 3.32Å; E1849-R1878 IonicContact OE1-CZ 3.87Å; E1849-R1878 IonicContact OE1-NE 3.18Å; E1849-R1878 PolarHBondContact OE1-NE 2.03Å; E1849-R1878 IonicContact OE1-NH1 2.62Å; E1849-R1878 PolarHBondContact OE1-NH1 3.1Å; E1849-R1878 WeakPolarHBondContact OE2-CD 3.03Å; E1849-R1878 IonicContact OE2-CZ 3.4Å; E1849-R1878 IonicContact OE2-NE 2.74Å; E1849-R1878 PolarHBondContact OE2-NE 3.49Å | ||
| 1850 | N | 66.5 | Low | 77.1 | Confident | 104 Ų | 104 | 53.9 Ų | 53.9 | 56% | 0.556 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -68.8 | 73 | -169.6 | -56.9 | -69.8 | 0 | 0 | 0 | 114.3 | D1872 Y1873 | N1850-D1872 WeakPolarHBondContact CB-OD1 3.45Å; N1850-D1872 PolarHBondContact ND2-OD1 3.26Å; N1850-D1872 CarbonylContact O-C 3.57Å; N1850-D1872 WeakPolarHBondContact O-CA 3.3Å; N1850-D1872 PolarHBondContact O-N 2.03Å; N1850-Y1873 HydrophobicContact CB-CE2 4.24Å; N1850-Y1873 PolarHBondContact O-N 3.32Å |
| 1851 | N | 64.3 | Low | 77.3 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | trans | -137.1 | -1.1 | -169.2 | -91.7 | -8.5 | 0 | 0 | 0 | 113.3 | E1849 Y1853 G1854 V1856 T1870 S1871 D1872 Y1873 | E1849-N1851 VanDerWaalsContact C-N 3.27Å; E1849-N1851 PolarHBondContact O-N 3.49Å; N1851-Y1853 PolarHBondContact O-N 3.39Å; N1851-G1854 PolarHBondContact O-N 2.86Å; N1851-V1856 HydrophobicContact CB-CG2 4.2Å; N1851-V1856 WeakPolarHBondContact ND2-CG2 3.46Å; N1851-T1870 PolarHBondContact ND2-O 2.95Å; N1851-S1871 WeakPolarHBondContact ND2-CA 3.25Å; N1851-S1871 WeakPolarHBondContact OD1-CA 3.34Å; N1851-D1872 PolarHBondContact OD1-N 3.26Å; N1851-Y1873 PolarHBondContact OD1-N 2.75Å | ||
| 1852 | K | 63.5 | Low | 77.2 | Confident | 95 Ų | 95 | 48.9 Ų | 48.9 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 126.3 | -174.9 | -152.4 | 178.8 | -170.7 | 177.8 | 0 | 110 | D1826 G1854 | D1826-K1852 HydrophobicContact CB-CG 3.99Å; K1852-G1854 PolarHBondContact O-N 3.37Å |
| 1853 | Y | 64.2 | Low | 77.1 | Confident | 153 Ų | 153 | 53.3 Ų | 53.3 | 60% | 0.6 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | -1.2 | -173.1 | -39.2 | -67.1 | 0 | 0 | 0 | 117.8 | D1826 N1851 | D1826-Y1853 WeakPolarHBondContact OD1-CA 3.28Å; D1826-Y1853 PolarHBondContact OD1-N 2.87Å; N1851-Y1853 PolarHBondContact O-N 3.39Å |
| 1854 | G | 69.6 | Low | 77 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -74.7 | 177.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1851 K1852 Q2104 | N1851-G1854 PolarHBondContact O-N 2.86Å; K1852-G1854 PolarHBondContact O-N 3.37Å; G1854-Q2104 PolarHBondContact O-NE2 2.88Å; G1854-Q2104 PolarHBondContact O-OE1 2.76Å; G1854-Q2104 VanDerWaalsContact O-OE1 3.04Å |
| 1855 | R | 80.5 | Confident | 77 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 31% | 0.306 | 26% | 0.264 | S | S | . | . | trans | -99.4 | 108.3 | 169.2 | 178.7 | 177.9 | 176.2 | -173.6 | -0.3 | 109.4 | N1904 | R1855-N1904 PolarHBondContact NH2-OD1 2.96Š| ||
| 1856 | V | 86 | Confident | 77.5 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | trans | -87.9 | 144.9 | 172.8 | 178.5 | 0 | 0 | 0 | 0 | 111 | T1824 N1851 T1870 | T1824-V1856 HydrophobicContact CG2-CG1 4.07Å; N1851-V1856 HydrophobicContact CB-CG2 4.2Å; N1851-V1856 WeakPolarHBondContact ND2-CG2 3.46Å; V1856-T1870 WeakPolarHBondContact CA-OG1 3.31Å | ||
| 1857 | S | 90.3 | Very high | 78.1 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | trans | -113.3 | 140.5 | 163.3 | -171 | 0 | 0 | 0 | 0 | 108.9 | Y1869 T1870 L1905 | S1857-Y1869 WeakPolarHBondContact O-CA 3.47Å; S1857-Y1869 WeakPolarHBondContact O-CB 3.44Å; S1857-T1870 PolarHBondContact N-OG1 2.87Å; S1857-T1870 PolarHBondContact O-N 2.73Å; S1857-T1870 VanDerWaalsContact O-N 3.1Å; S1857-T1870 PolarHBondContact O-OG1 2.83Å; S1857-L1905 PolarHBondContact OG-N 3.22Å; S1857-L1905 VanDerWaalsContact OG-N 3.1Å | ||
| 1858 | M | 91.5 | Very high | 79.2 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 134.7 | -176.5 | 178.4 | 171 | 66.6 | 0 | 0 | 110.3 | L1822 T1824 I1829 I1867 I1868 A2105 | L1822-M1858 HydrophobicContact CB-CE 3.76Å; L1822-M1858 HydrophobicContact CB-SD 4.34Å; L1822-M1858 WeakPolarHBondContact O-CE 3Å; T1824-M1858 HydrophobicContact CG2-CE 3.85Å; T1824-M1858 HydrophobicContact CG2-SD 4.07Å; I1829-M1858 HydrophobicContact CD1-SD 4.5Å; I1829-M1858 HydrophobicContact CG2-SD 4.28Å; M1858-I1867 HydrophobicContact SD-CD1 4.18Å; M1858-I1868 CarbonylContact C-O 3.55Å; M1858-I1868 WeakPolarHBondContact CA-O 3.32Å; M1858-A2105 HydrophobicContact CB-CB 4.27Å |
| 1859 | V | 90.5 | Very high | 80.6 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.9 | 175.1 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | I1867 I1868 L1905 V1907 | V1859-I1867 CarbonylContact O-C 3.44Å; V1859-I1867 WeakPolarHBondContact O-CA 3.24Å; V1859-I1868 HydrophobicContact CG2-CB 4.17Å; V1859-I1868 HydrophobicContact CG2-CD1 4.45Å; V1859-I1868 PolarHBondContact N-O 3.09Å; V1859-I1868 PolarHBondContact O-N 3.47Å; V1859-L1905 HydrophobicContact CG1-CB 4.14Å; V1859-L1905 VanDerWaalsContact CG1-O 3.3Å; V1859-L1905 WeakPolarHBondContact CG1-O 3Å; V1859-L1905 HydrophobicContact CG2-CB 3.92Å; V1859-V1907 HydrophobicContact CG2-CG1 4.35Å |
| 1860 | G | 88.4 | Confident | 81.8 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1866 S2107 | G1860-R1866 CarbonylContact C-O 3.57Å; G1860-R1866 WeakPolarHBondContact CA-O 3.48Å; G1860-S2107 PolarHBondContact N-OG 2.03Å; G1860-S2107 VanDerWaalsContact N-OG 3.16Å |
| 1861 | D | 88.3 | Confident | 82.8 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 107.9 | 165.6 | 176.5 | -2 | 0 | 0 | 0 | 109 | N1863 S1864 Q1865 R1866 I1868 V1907 S1909 | D1861-N1863 PolarHBondContact O-N 3.33Å; D1861-N1863 WeakPolarHBondContact OD1-CB 3.27Å; D1861-N1863 PolarHBondContact OD1-N 2.75Å; D1861-S1864 PolarHBondContact OD1-N 3.05Å; D1861-S1864 VanDerWaalsContact OD2-CB 3.29Å; D1861-S1864 WeakPolarHBondContact OD2-CB 3.46Å; D1861-S1864 PolarHBondContact OD2-OG 2.93Å; D1861-Q1865 VanDerWaalsContact O-CA 3.26Å; D1861-Q1865 WeakPolarHBondContact O-CA 3.04Å; D1861-Q1865 PolarHBondContact O-N 2.86Å; D1861-R1866 PolarHBondContact N-O 2.63Å; D1861-R1866 PolarHBondContact O-N 3.17Å; D1861-I1868 HydrophobicContact CB-CD1 4.2Å; D1861-V1907 HydrophobicContact CB-CG1 4.32Å; D1861-V1907 HydrophobicContact CB-CG2 4.13Å; D1861-S1909 WeakPolarHBondContact OD1-CA 3.34Å; D1861-S1909 VanDerWaalsContact OD1-CB 3.31Å; D1861-S1909 WeakPolarHBondContact OD1-CB 3.28Å |
| 1862 | C | 83 | Confident | 83.8 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.7 | 179.4 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | S1909 G2110 C2112 | C1862-S1909 VanDerWaalsContact SG-CB 3.59Å; C1862-G2110 WeakPolarHBondContact CB-O 3.29Å; C1862-C2112 HydrophobicContact CB-CB 4.11Å; C1862-C2112 WeakPolarHBondContact CB-SG 3.04Å; C1862-C2112 WeakPolarHBondContact SG-CA 3.38Å; C1862-C2112 WeakPolarHBondContact SG-CB 3.04Å; C1862-C2112 CovalentContact SG-SG 2.04Å; C1862-C2112 PolarHBondContact SG-SG 2.78Å |
| 1863 | N | 81.6 | Confident | 84.7 | Confident | 101 Ų | 101 | 38.3 Ų | 38.3 | 54% | 0.54 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -37.1 | -172.3 | -173 | 30.9 | 0 | 0 | 0 | 111.6 | D1861 S1909 C2112 | D1861-N1863 PolarHBondContact O-N 3.33Å; D1861-N1863 WeakPolarHBondContact OD1-CB 3.27Å; D1861-N1863 PolarHBondContact OD1-N 2.75Å; N1863-S1909 WeakPolarHBondContact CB-O 3.03Å; N1863-S1909 PolarHBondContact ND2-O 2.76Å; N1863-C2112 PolarHBondContact N-SG 3.31Å |
| 1864 | S | 80 | Confident | 85.8 | Confident | 34 Ų | 34 | 31.2 Ų | 31.2 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -3.3 | 171.7 | 72.5 | 0 | 0 | 0 | 0 | 114.3 | D1861 R1866 | D1861-S1864 PolarHBondContact OD1-N 3.05Å; D1861-S1864 VanDerWaalsContact OD2-CB 3.29Å; D1861-S1864 WeakPolarHBondContact OD2-CB 3.46Å; D1861-S1864 PolarHBondContact OD2-OG 2.93Å; S1864-R1866 PolarHBondContact O-N 3.32Å; S1864-R1866 VanDerWaalsContact OG-CD 3.27Å; S1864-R1866 WeakPolarHBondContact OG-CD 3.36Å; S1864-R1866 WeakPolarHBondContact OG-CG 3.39Å |
| 1865 | Q | 81.4 | Confident | 86.7 | Confident | 70 Ų | 70 | 32 Ų | 32 | 33% | 0.327 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 54.3 | -171.5 | -72.7 | -170 | -4.7 | 0 | 0 | 112 | D1861 N1881 S1882 N1883 L2109 | D1861-Q1865 VanDerWaalsContact O-CA 3.26Å; D1861-Q1865 WeakPolarHBondContact O-CA 3.04Å; D1861-Q1865 PolarHBondContact O-N 2.86Å; Q1865-N1881 PolarHBondContact O-OD1 2.88Å; Q1865-S1882 CarbonylContact O-C 3.39Å; Q1865-S1882 VanDerWaalsContact O-C 3.24Å; Q1865-S1882 WeakPolarHBondContact O-CA 3.34Å; Q1865-S1882 VanDerWaalsContact O-CB 3.25Å; Q1865-S1882 WeakPolarHBondContact O-CB 3.2Å; Q1865-S1882 PolarHBondContact O-N 3.43Å; Q1865-N1883 WeakPolarHBondContact CB-OD1 3.44Å; Q1865-N1883 PolarHBondContact O-N 3.35Å; Q1865-L2109 HydrophobicContact CB-CD2 4.41Å |
| 1866 | R | 85.7 | Confident | 87.1 | Confident | 46 Ų | 46 | 28.3 Ų | 28.3 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 156.8 | 179.6 | -67.4 | 174.3 | -170 | -179.2 | 8.1 | 111 | G1860 D1861 S1864 W1879 G1880 N1930 | G1860-R1866 CarbonylContact C-O 3.57Å; G1860-R1866 WeakPolarHBondContact CA-O 3.48Å; D1861-R1866 PolarHBondContact N-O 2.63Å; D1861-R1866 PolarHBondContact O-N 3.17Å; S1864-R1866 PolarHBondContact O-N 3.32Å; S1864-R1866 VanDerWaalsContact OG-CD 3.27Å; S1864-R1866 WeakPolarHBondContact OG-CD 3.36Å; S1864-R1866 WeakPolarHBondContact OG-CG 3.39Å; R1866-W1879 HydrophobicContact CB-CE3 4.4Å; R1866-W1879 VanDerWaalsContact CD-CE3 3.41Å; R1866-W1879 HydrophobicContact CG-CE3 3.8Å; R1866-W1879 HydrophobicContact CG-CZ3 3.99Å; R1866-G1880 WeakPolarHBondContact CA-O 3.12Å; R1866-N1930 PolarHBondContact NH1-OD1 3.07Å; R1866-N1930 PolarHBondContact NH2-OD1 2.03Å |
| 1867 | I | 89.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 147.8 | 160.8 | 70.5 | 175.2 | 0 | 0 | 0 | 110.6 | L1822 I1829 M1858 V1859 Y1869 W1879 G1880 L1889 L2109 | L1822-I1867 HydrophobicContact CD1-CD1 4.38Å; L1822-I1867 HydrophobicContact CD1-CG2 3.44Å; L1822-I1867 VanDerWaalsContact CD1-CG2 3.44Å; I1829-I1867 HydrophobicContact CD1-CD1 3.92Å; I1829-I1867 HydrophobicContact CG2-CD1 4.37Å; M1858-I1867 HydrophobicContact SD-CD1 4.18Å; V1859-I1867 CarbonylContact O-C 3.44Å; V1859-I1867 WeakPolarHBondContact O-CA 3.24Å; I1867-Y1869 HydrophobicContact CD1-CD1 4.31Å; I1867-Y1869 HydrophobicContact CG1-CD1 4.31Å; I1867-W1879 CarbonylContact O-C 3.5Å; I1867-W1879 WeakPolarHBondContact O-CA 3.27Å; I1867-W1879 WeakPolarHBondContact O-CB 3.04Å; I1867-G1880 PolarHBondContact N-O 2.94Å; I1867-G1880 PolarHBondContact O-N 3.45Å; I1867-L1889 HydrophobicContact CD1-CD1 3.93Å; I1867-L1889 HydrophobicContact CD1-CD2 3.62Å; I1867-L1889 HydrophobicContact CD1-CG 4.46Å; I1867-L1889 HydrophobicContact CG1-CD1 4.04Å; I1867-L1889 HydrophobicContact CG1-CD2 4.19Å; I1867-L2109 HydrophobicContact CG2-CD1 3.7Å |
| 1868 | I | 90.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.2 | 174.2 | -52.6 | 90.3 | 0 | 0 | 0 | 107.2 | M1858 V1859 D1861 I1877 R1878 W1879 I1894 L1905 V1914 | M1858-I1868 CarbonylContact C-O 3.55Å; M1858-I1868 WeakPolarHBondContact CA-O 3.32Å; V1859-I1868 HydrophobicContact CG2-CB 4.17Å; V1859-I1868 HydrophobicContact CG2-CD1 4.45Å; V1859-I1868 PolarHBondContact N-O 3.09Å; V1859-I1868 PolarHBondContact O-N 3.47Å; D1861-I1868 HydrophobicContact CB-CD1 4.2Å; I1868-I1877 HydrophobicContact CG2-CG2 3.69Å; I1868-R1878 WeakPolarHBondContact CA-O 3.44Å; I1868-R1878 WeakPolarHBondContact CG2-O 3.03Å; I1868-W1879 HydrophobicContact CG1-CB 4.28Å; I1868-I1894 HydrophobicContact CG2-CD1 3.97Å; I1868-L1905 HydrophobicContact CG2-CD1 4.15Å; I1868-V1914 HydrophobicContact CD1-CG2 4.3Å; I1868-V1914 HydrophobicContact CG1-CG2 4.17Å; I1868-V1914 HydrophobicContact CG2-CG1 4.39Å |
| 1869 | Y | 91.9 | Very high | 87.1 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 165.7 | -175.7 | 71.6 | -84.9 | 0 | 0 | 0 | 112.8 | I1829 N1846 E1849 S1857 I1867 R1878 L1889 T1891 | I1829-Y1869 HydrophobicContact CD1-CD1 3.8Å; I1829-Y1869 HydrophobicContact CD1-CD2 4.13Å; I1829-Y1869 HydrophobicContact CD1-CE1 3.74Å; I1829-Y1869 HydrophobicContact CD1-CE2 4.09Å; I1829-Y1869 HydrophobicContact CD1-CG 4Å; N1846-Y1869 PolarHBondContact ND2-OH 3.31Å; E1849-Y1869 PolarHBondContact OE1-OH 3.09Å; E1849-Y1869 WeakPolarHBondContact OE2-CE2 3.22Å; E1849-Y1869 PolarHBondContact OE2-OH 3.45Å; S1857-Y1869 WeakPolarHBondContact O-CA 3.47Å; S1857-Y1869 WeakPolarHBondContact O-CB 3.44Å; I1867-Y1869 HydrophobicContact CD1-CD1 4.31Å; I1867-Y1869 HydrophobicContact CG1-CD1 4.31Å; Y1869-R1878 HydrophobicContact CD1-CB 4.36Å; Y1869-R1878 HydrophobicContact CE1-CB 3.82Å; Y1869-R1878 HydrophobicContact CE2-CB 4.15Å; Y1869-R1878 PolarHBondContact N-O 3.3Å; Y1869-R1878 PolarHBondContact O-N 3.35Å; Y1869-R1878 WeakPolarHBondContact OH-CD 3.27Å; Y1869-L1889 HydrophobicContact CE1-CD2 4.37Å; Y1869-T1891 HydrophobicContact CE1-CG2 4Å; Y1869-T1891 VanDerWaalsContact OH-CG2 3.26Å; Y1869-T1891 WeakPolarHBondContact OH-CG2 3.42Å |
| 1870 | T | 91.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.9 | -178.9 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | N1851 V1856 S1857 T1876 F1902 L1905 | N1851-T1870 PolarHBondContact ND2-O 2.95Å; V1856-T1870 WeakPolarHBondContact CA-OG1 3.31Å; S1857-T1870 PolarHBondContact N-OG1 2.87Å; S1857-T1870 PolarHBondContact O-N 2.73Å; S1857-T1870 VanDerWaalsContact O-N 3.1Å; S1857-T1870 PolarHBondContact O-OG1 2.83Å; T1870-T1876 CarbonylContact C-O 3.6Å; T1870-T1876 WeakPolarHBondContact CA-O 3.24Å; T1870-F1902 HydrophobicContact CG2-CB 4.41Å; T1870-L1905 HydrophobicContact CG2-CD1 4.18Å; T1870-L1905 HydrophobicContact CG2-CG 4.41Å |
| 1871 | S | 87.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 175.8 | 171 | 75.6 | 0 | 0 | 0 | 0 | 112.9 | E1849 N1851 Y1873 G1874 H1875 T1876 R1878 | E1849-S1871 WeakPolarHBondContact OE2-CB 3.05Å; N1851-S1871 WeakPolarHBondContact ND2-CA 3.25Å; N1851-S1871 WeakPolarHBondContact OD1-CA 3.34Å; S1871-Y1873 PolarHBondContact O-N 3.04Å; S1871-G1874 CarbonylContact O-C 3.59Å; S1871-G1874 WeakPolarHBondContact O-CA 3.46Å; S1871-G1874 PolarHBondContact O-N 3.32Å; S1871-H1875 PolarHBondContact O-N 3.01Å; S1871-T1876 PolarHBondContact N-O 3.05Å; S1871-T1876 PolarHBondContact O-N 3.01Å; S1871-T1876 VanDerWaalsContact O-N 3.11Å; S1871-T1876 WeakPolarHBondContact OG-CB 3.46Å; S1871-T1876 WeakPolarHBondContact OG-CG2 3.08Å; S1871-R1878 WeakPolarHBondContact OG-CD 3.43Å; S1871-R1878 PolarHBondContact OG-NE 3Å |
| 1872 | D | 84.3 | Confident | 85 | Confident | 31 Ų | 31 | 29.5 Ų | 29.5 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | 57.1 | 53.6 | 174.4 | -49.8 | -70.9 | 0 | 0 | 0 | 111.9 | N1850 N1851 G1874 H1875 T1876 R1878 | N1850-D1872 WeakPolarHBondContact CB-OD1 3.45Å; N1850-D1872 PolarHBondContact ND2-OD1 3.26Å; N1850-D1872 CarbonylContact O-C 3.57Å; N1850-D1872 WeakPolarHBondContact O-CA 3.3Å; N1850-D1872 PolarHBondContact O-N 2.03Å; N1851-D1872 PolarHBondContact OD1-N 3.26Å; D1872-G1874 PolarHBondContact O-N 3.23Å; D1872-G1874 VanDerWaalsContact O-N 3.1Å; D1872-H1875 HydrophobicContact CB-CB 4.49Å; D1872-H1875 VanDerWaalsContact O-CB 3.32Å; D1872-H1875 WeakPolarHBondContact O-CB 3.22Å; D1872-H1875 PolarHBondContact O-CD2 3.28Å; D1872-H1875 VanDerWaalsContact O-CD2 3.29Å; D1872-H1875 PolarHBondContact O-N 2.04Å; D1872-T1876 VanDerWaalsContact OD2-CB 3.29Å; D1872-T1876 WeakPolarHBondContact OD2-CB 3.2Å; D1872-T1876 PolarHBondContact OD2-OG1 3.17Å; D1872-R1878 IonicContact OD2-NH2 3.02Å |
| 1873 | Y | 82.5 | Confident | 84.2 | Confident | 133 Ų | 133 | 31.2 Ų | 31.2 | 52% | 0.522 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | 54.7 | 24 | -173.5 | -54.1 | -82.5 | 0 | 0 | 0 | 114.6 | N1850 N1851 S1871 | N1850-Y1873 HydrophobicContact CB-CE2 4.24Å; N1850-Y1873 PolarHBondContact O-N 3.32Å; N1851-Y1873 PolarHBondContact OD1-N 2.75Å; S1871-Y1873 PolarHBondContact O-N 3.04Å |
| 1874 | G | 86.8 | Confident | 83 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | 95.8 | 0.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1871 D1872 T1876 R1901 F1902 | S1871-G1874 CarbonylContact O-C 3.59Å; S1871-G1874 WeakPolarHBondContact O-CA 3.46Å; S1871-G1874 PolarHBondContact O-N 3.32Å; D1872-G1874 PolarHBondContact O-N 3.23Å; D1872-G1874 VanDerWaalsContact O-N 3.1Å; G1874-T1876 VanDerWaalsContact C-N 3.28Å; G1874-T1876 PolarHBondContact O-N 3.18Å; G1874-R1901 WeakPolarHBondContact O-CA 3.35Å; G1874-F1902 WeakPolarHBondContact O-CD2 3.32Å; G1874-F1902 PolarHBondContact O-N 3.33Å |
| 1875 | H | 88.5 | Confident | 81.9 | Confident | 38 Ų | 38 | 33.7 Ų | 33.7 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.7 | 178.3 | -74.5 | -73.8 | 0 | 0 | 0 | 114 | S1871 D1872 S1897 N1900 R1901 | S1871-H1875 PolarHBondContact O-N 3.01Å; D1872-H1875 HydrophobicContact CB-CB 4.49Å; D1872-H1875 VanDerWaalsContact O-CB 3.32Å; D1872-H1875 WeakPolarHBondContact O-CB 3.22Å; D1872-H1875 PolarHBondContact O-CD2 3.28Å; D1872-H1875 VanDerWaalsContact O-CD2 3.29Å; D1872-H1875 PolarHBondContact O-N 2.04Å; H1875-S1897 WeakPolarHBondContact CB-O 3.37Å; H1875-S1897 PolarHBondContact ND1-O 3.07Å; H1875-S1897 VanDerWaalsContact ND1-O 3.09Å; H1875-S1897 PolarHBondContact O-N 3.23Å; H1875-N1900 PolarHBondContact ND1-O 3.41Å; H1875-R1901 PolarHBondContact NE2-NE 3.31Å; H1875-R1901 PolarHBondContact NE2-NH2 3.07Å |
| 1876 | T | 88.9 | Confident | 80.8 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.7 | -177.5 | -51.8 | 0 | 0 | 0 | 0 | 110.6 | T1870 S1871 D1872 G1874 R1878 E1893 Y1895 T1896 | T1870-T1876 CarbonylContact C-O 3.6Å; T1870-T1876 WeakPolarHBondContact CA-O 3.24Å; S1871-T1876 PolarHBondContact N-O 3.05Å; S1871-T1876 PolarHBondContact O-N 3.01Å; S1871-T1876 VanDerWaalsContact O-N 3.11Å; S1871-T1876 WeakPolarHBondContact OG-CB 3.46Å; S1871-T1876 WeakPolarHBondContact OG-CG2 3.08Å; D1872-T1876 VanDerWaalsContact OD2-CB 3.29Å; D1872-T1876 WeakPolarHBondContact OD2-CB 3.2Å; D1872-T1876 PolarHBondContact OD2-OG1 3.17Å; G1874-T1876 VanDerWaalsContact C-N 3.28Å; G1874-T1876 PolarHBondContact O-N 3.18Å; T1876-R1878 HydrophobicContact CG2-CG 3.91Å; T1876-E1893 HydrophobicContact CG2-CB 4.5Å; T1876-E1893 HydrophobicContact CG2-CG 3.89Å; T1876-Y1895 WeakPolarHBondContact CA-O 3.4Å; T1876-T1896 HydrophobicContact CG2-CG2 4.48Å |
| 1877 | I | 90.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.3 | 166.1 | -49.4 | 178.1 | 0 | 0 | 0 | 108.9 | I1868 I1894 Y1895 F1902 A1916 M1925 F1927 | I1868-I1877 HydrophobicContact CG2-CG2 3.69Å; I1877-I1894 HydrophobicContact CG2-CD1 4.01Å; I1877-I1894 PolarHBondContact O-N 3.22Å; I1877-Y1895 PolarHBondContact N-O 2.81Å; I1877-Y1895 PolarHBondContact O-N 3.04Å; I1877-F1902 HydrophobicContact CD1-CB 4Å; I1877-F1902 HydrophobicContact CD1-CD1 4.05Å; I1877-F1902 HydrophobicContact CD1-CD2 4.01Å; I1877-F1902 HydrophobicContact CD1-CG 3.72Å; I1877-F1902 HydrophobicContact CG1-CB 3.99Å; I1877-F1902 HydrophobicContact CG1-CD2 3.82Å; I1877-F1902 HydrophobicContact CG1-CG 3.89Å; I1877-A1916 HydrophobicContact CD1-CB 4.08Å; I1877-M1925 HydrophobicContact CD1-CE 4.33Å; I1877-F1927 HydrophobicContact CD1-CE1 3.88Å; I1877-F1927 HydrophobicContact CD1-CZ 3.95Å; I1877-F1927 HydrophobicContact CG2-CZ 4.2Å |
| 1878 | R | 89.9 | Confident | 78.6 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 154 | 177.2 | -62.5 | -179.1 | -175.9 | -106.3 | -18.3 | 110.5 | E1849 I1868 Y1869 S1871 D1872 T1876 K1892 E1893 | E1849-R1878 VanDerWaalsContact CD-CD 3.42Å; E1849-R1878 WeakPolarHBondContact OE1-CD 3.32Å; E1849-R1878 IonicContact OE1-CZ 3.87Å; E1849-R1878 IonicContact OE1-NE 3.18Å; E1849-R1878 PolarHBondContact OE1-NE 2.03Å; E1849-R1878 IonicContact OE1-NH1 2.62Å; E1849-R1878 PolarHBondContact OE1-NH1 3.1Å; E1849-R1878 WeakPolarHBondContact OE2-CD 3.03Å; E1849-R1878 IonicContact OE2-CZ 3.4Å; E1849-R1878 IonicContact OE2-NE 2.74Å; E1849-R1878 PolarHBondContact OE2-NE 3.49Å; I1868-R1878 WeakPolarHBondContact CA-O 3.44Å; I1868-R1878 WeakPolarHBondContact CG2-O 3.03Å; Y1869-R1878 HydrophobicContact CD1-CB 4.36Å; Y1869-R1878 HydrophobicContact CE1-CB 3.82Å; Y1869-R1878 HydrophobicContact CE2-CB 4.15Å; Y1869-R1878 PolarHBondContact N-O 3.3Å; Y1869-R1878 PolarHBondContact O-N 3.35Å; Y1869-R1878 WeakPolarHBondContact OH-CD 3.27Å; S1871-R1878 WeakPolarHBondContact OG-CD 3.43Å; S1871-R1878 PolarHBondContact OG-NE 3Å; D1872-R1878 IonicContact OD2-NH2 3.02Å; T1876-R1878 HydrophobicContact CG2-CG 3.91Å; R1878-K1892 WeakPolarHBondContact CA-O 3.2Å; R1878-E1893 HydrophobicContact CG-CG 4.2Å; R1878-E1893 IonicContact CZ-OE1 2.8Å; R1878-E1893 IonicContact NH1-OE1 2.72Å; R1878-E1893 VanDerWaalsContact NH2-CD 3.31Å; R1878-E1893 IonicContact NH2-OE1 3.75Å; R1878-E1893 PolarHBondContact NH2-OE1 3.22Å |
| 1879 | W | 88 | Confident | 77.6 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 154.4 | 158.7 | 69.1 | -68 | 0 | 0 | 0 | 110.2 | R1866 I1867 I1868 N1881 T1891 K1892 I1894 | R1866-W1879 HydrophobicContact CB-CE3 4.4Å; R1866-W1879 VanDerWaalsContact CD-CE3 3.41Å; R1866-W1879 HydrophobicContact CG-CE3 3.8Å; R1866-W1879 HydrophobicContact CG-CZ3 3.99Å; I1867-W1879 CarbonylContact O-C 3.5Å; I1867-W1879 WeakPolarHBondContact O-CA 3.27Å; I1867-W1879 WeakPolarHBondContact O-CB 3.04Å; I1868-W1879 HydrophobicContact CG1-CB 4.28Å; W1879-N1881 HydrophobicContact CZ3-CB 3.98Å; W1879-T1891 CarbonylContact O-C 3.59Å; W1879-T1891 VanDerWaalsContact O-CA 3.23Å; W1879-T1891 WeakPolarHBondContact O-CA 3.07Å; W1879-K1892 VanDerWaalsContact CD1-O 3.25Å; W1879-K1892 PolarHBondContact N-O 3.19Å; W1879-K1892 PolarHBondContact O-N 2.93Å; W1879-I1894 HydrophobicContact CB-CD1 4.05Å; W1879-I1894 HydrophobicContact CB-CG1 4.34Å; W1879-I1894 HydrophobicContact CG-CD1 4.42Å; W1879-I1894 HydrophobicContact CG-CG1 4.29Å |
| 1880 | G | 81.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.5 | 165 | 0 | 0 | 0 | 0 | 0 | 110.3 | R1866 I1867 V1890 | R1866-G1880 WeakPolarHBondContact CA-O 3.12Å; I1867-G1880 PolarHBondContact N-O 2.94Å; I1867-G1880 PolarHBondContact O-N 3.45Å; G1880-V1890 WeakPolarHBondContact CA-O 3.44Å |
| 1881 | N | 76.2 | Confident | 76.2 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 131 | 167.8 | -168.6 | 13.4 | 0 | 0 | 0 | 108.9 | Q1865 W1879 N1883 Q1886 L1889 V1890 | Q1865-N1881 PolarHBondContact O-OD1 2.88Å; W1879-N1881 HydrophobicContact CZ3-CB 3.98Å; N1881-N1883 VanDerWaalsContact OD1-CG 3.28Å; N1881-N1883 PolarHBondContact OD1-N 2.88Å; N1881-N1883 PolarHBondContact OD1-OD1 2.84Å; N1881-N1883 VanDerWaalsContact OD1-OD1 3.1Å; N1881-Q1886 PolarHBondContact O-OE1 3.04Å; N1881-L1889 VanDerWaalsContact O-CD1 3.3Å; N1881-L1889 WeakPolarHBondContact O-CD1 3.15Å; N1881-V1890 PolarHBondContact N-O 3.15Å |
| 1882 | S | 65.9 | Low | 76 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | trans | -124.3 | 14.4 | -172 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | W1845 Q1865 S1884 L2109 | W1845-S1882 VanDerWaalsContact CH2-OG 3.23Å; W1845-S1882 WeakPolarHBondContact CH2-OG 3.16Å; W1845-S1882 WeakPolarHBondContact CZ3-OG 3.14Å; Q1865-S1882 CarbonylContact O-C 3.39Å; Q1865-S1882 VanDerWaalsContact O-C 3.24Å; Q1865-S1882 WeakPolarHBondContact O-CA 3.34Å; Q1865-S1882 VanDerWaalsContact O-CB 3.25Å; Q1865-S1882 WeakPolarHBondContact O-CB 3.2Å; Q1865-S1882 PolarHBondContact O-N 3.43Å; S1882-S1884 PolarHBondContact O-N 2.92Å; S1882-L2109 WeakPolarHBondContact O-CD2 3.49Å; S1882-L2109 WeakPolarHBondContact OG-CD1 3.35Å; S1882-L2109 VanDerWaalsContact OG-CD2 3.27Å; S1882-L2109 WeakPolarHBondContact OG-CD2 3.18Å | ||
| 1883 | N | 66.6 | Low | 76 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | trans | -48 | 136.5 | 173.5 | -72.7 | 2.4 | 0 | 0 | 0 | 111.8 | Q1865 N1881 G1885 Q1886 | Q1865-N1883 WeakPolarHBondContact CB-OD1 3.44Å; Q1865-N1883 PolarHBondContact O-N 3.35Å; N1881-N1883 VanDerWaalsContact OD1-CG 3.28Å; N1881-N1883 PolarHBondContact OD1-N 2.88Å; N1881-N1883 PolarHBondContact OD1-OD1 2.84Å; N1881-N1883 VanDerWaalsContact OD1-OD1 3.1Å; N1883-G1885 PolarHBondContact O-N 2.04Å; N1883-Q1886 PolarHBondContact O-N 3.25Å | ||
| 1884 | S | 56.2 | Low | 76 | Confident | 113 Ų | 113 | 50.9 Ų | 50.9 | 79% | 0.79 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 111.3 | 174.9 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | S1882 | S1882-S1884 PolarHBondContact O-N 2.92Š|
| 1885 | G | 55.8 | Low | 75.8 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 76% | 0.763 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.9 | 2.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1883 | N1883-G1885 PolarHBondContact O-N 2.04Š|
| 1886 | Q | 59.4 | Low | 75.6 | Confident | 61 Ų | 61 | 55.4 Ų | 55.4 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | trans | -90.9 | 116.4 | 171.3 | -61.5 | -151 | -36.6 | 0 | 0 | 112.4 | W1845 N1881 N1883 K1888 | W1845-Q1886 PolarHBondContact NE1-O 3.34Å; N1881-Q1886 PolarHBondContact O-OE1 3.04Å; N1883-Q1886 PolarHBondContact O-N 3.25Å; Q1886-K1888 VanDerWaalsContact C-N 3.27Å; Q1886-K1888 PolarHBondContact O-N 3.36Å | ||
| 1887 | N | 60.5 | Low | 75.2 | Confident | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -68.4 | -23 | 177.4 | -66.6 | 4.1 | 0 | 0 | 0 | 113.1 | E907 | E907-N1887 PolarHBondContact OE2-ND2 2.92Š|
| 1888 | K | 67.4 | Low | 74.4 | Confident | 114 Ų | 114 | 64.2 Ų | 64.2 | 50% | 0.496 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -138.5 | 142.2 | 175.5 | -64.8 | -176.9 | -176.5 | 177 | 0 | 109.8 | G908 Q1886 V1890 | G908-K1888 WeakPolarHBondContact O-CE 3.16Å; G908-K1888 PolarHBondContact O-NZ 3.3Å; Q1886-K1888 VanDerWaalsContact C-N 3.27Å; Q1886-K1888 PolarHBondContact O-N 3.36Å; K1888-V1890 PolarHBondContact O-N 3.4Å |
| 1889 | L | 70.7 | Confident | 73.7 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | trans | -73.3 | 109 | 179.3 | -173.5 | 82.8 | 0 | 0 | 0 | 110.3 | I1829 W1845 N1846 I1867 Y1869 N1881 T1891 | I1829-L1889 HydrophobicContact CD1-CD2 4Å; W1845-L1889 HydrophobicContact CD2-CB 4.23Å; W1845-L1889 HydrophobicContact CD2-CD1 4.47Å; W1845-L1889 HydrophobicContact CE3-CB 4.27Å; W1845-L1889 HydrophobicContact CE3-CD1 3.81Å; W1845-L1889 HydrophobicContact CG-CB 4.43Å; W1845-L1889 HydrophobicContact CH2-CD1 4.26Å; W1845-L1889 HydrophobicContact CZ3-CD1 3.69Å; W1845-L1889 VanDerWaalsContact O-CB 3.28Å; W1845-L1889 WeakPolarHBondContact O-CB 3.19Å; W1845-L1889 PolarHBondContact O-N 2.83Å; N1846-L1889 HydrophobicContact CB-CB 4.29Å; N1846-L1889 HydrophobicContact CB-CD2 4.02Å; I1867-L1889 HydrophobicContact CD1-CD1 3.93Å; I1867-L1889 HydrophobicContact CD1-CD2 3.62Å; I1867-L1889 HydrophobicContact CD1-CG 4.46Å; I1867-L1889 HydrophobicContact CG1-CD1 4.04Å; I1867-L1889 HydrophobicContact CG1-CD2 4.19Å; Y1869-L1889 HydrophobicContact CE1-CD2 4.37Å; N1881-L1889 VanDerWaalsContact O-CD1 3.3Å; N1881-L1889 WeakPolarHBondContact O-CD1 3.15Å; L1889-T1891 HydrophobicContact CD2-CG2 3.41Å; L1889-T1891 VanDerWaalsContact CD2-CG2 3.41Å; L1889-T1891 HydrophobicContact CG-CG2 3.79Å; L1889-T1891 PolarHBondContact O-N 3.34Å | ||
| 1890 | V | 73.1 | Confident | 73.4 | Confident | 98 Ų | 98 | 69 Ų | 69 | 59% | 0.594 | 37% | 0.371 | S | S | * | . | trans | -79.1 | 106.7 | 173.5 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | G1880 N1881 K1888 | G1880-V1890 WeakPolarHBondContact CA-O 3.44Å; N1881-V1890 PolarHBondContact N-O 3.15Å; K1888-V1890 PolarHBondContact O-N 3.4Å | ||
| 1891 | T | 81.1 | Confident | 73.7 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 24% | 0.239 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 155 | -176.7 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | Y1869 W1879 L1889 | Y1869-T1891 HydrophobicContact CE1-CG2 4Å; Y1869-T1891 VanDerWaalsContact OH-CG2 3.26Å; Y1869-T1891 WeakPolarHBondContact OH-CG2 3.42Å; W1879-T1891 CarbonylContact O-C 3.59Å; W1879-T1891 VanDerWaalsContact O-CA 3.23Å; W1879-T1891 WeakPolarHBondContact O-CA 3.07Å; L1889-T1891 HydrophobicContact CD2-CG2 3.41Å; L1889-T1891 VanDerWaalsContact CD2-CG2 3.41Å; L1889-T1891 HydrophobicContact CG-CG2 3.79Å; L1889-T1891 PolarHBondContact O-N 3.34Å |
| 1892 | K | 82.8 | Confident | 74.4 | Confident | 127 Ų | 127 | 72.8 Ų | 72.8 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 137.3 | 174.9 | 173.3 | 173.5 | 177.9 | -176.7 | 0 | 111.1 | R1878 W1879 I1894 | R1878-K1892 WeakPolarHBondContact CA-O 3.2Å; W1879-K1892 VanDerWaalsContact CD1-O 3.25Å; W1879-K1892 PolarHBondContact N-O 3.19Å; W1879-K1892 PolarHBondContact O-N 2.93Å; K1892-I1894 PolarHBondContact O-N 3.44Å |
| 1893 | E | 85.2 | Confident | 75.4 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 128.2 | 170.5 | -64.1 | 174.3 | -148.6 | 0 | 0 | 111 | T1876 R1878 T1896 | T1876-E1893 HydrophobicContact CG2-CB 4.5Å; T1876-E1893 HydrophobicContact CG2-CG 3.89Å; R1878-E1893 HydrophobicContact CG-CG 4.2Å; R1878-E1893 IonicContact CZ-OE1 2.8Å; R1878-E1893 IonicContact NH1-OE1 2.72Å; R1878-E1893 VanDerWaalsContact NH2-CD 3.31Å; R1878-E1893 IonicContact NH2-OE1 3.75Å; R1878-E1893 PolarHBondContact NH2-OE1 3.22Å; E1893-T1896 PolarHBondContact OE2-OG1 3.07Å; E1893-T1896 VanDerWaalsContact OE2-OG1 3.12Å |
| 1894 | I | 81.5 | Confident | 76.5 | Confident | 18 Ų | 18 | 73.3 Ų | 73.3 | 9% | 0.092 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -46.1 | 171.3 | -47.2 | 173.4 | 0 | 0 | 0 | 109.2 | I1868 I1877 W1879 K1892 F1927 P1929 P1932 | I1868-I1894 HydrophobicContact CG2-CD1 3.97Å; I1877-I1894 HydrophobicContact CG2-CD1 4.01Å; I1877-I1894 PolarHBondContact O-N 3.22Å; W1879-I1894 HydrophobicContact CB-CD1 4.05Å; W1879-I1894 HydrophobicContact CB-CG1 4.34Å; W1879-I1894 HydrophobicContact CG-CD1 4.42Å; W1879-I1894 HydrophobicContact CG-CG1 4.29Å; K1892-I1894 PolarHBondContact O-N 3.44Å; I1894-F1927 HydrophobicContact CD1-CE2 3.83Å; I1894-F1927 HydrophobicContact CD1-CZ 4.42Å; I1894-F1927 HydrophobicContact CG2-CD2 3.96Å; I1894-F1927 HydrophobicContact CG2-CE2 3.8Å; I1894-P1929 HydrophobicContact CD1-CB 4.14Å; I1894-P1929 HydrophobicContact CD1-CG 4.19Å; I1894-P1932 HydrophobicContact CG2-CB 3.85Å; I1894-P1932 WeakPolarHBondContact O-CB 3.49Å |
| 1895 | Y | 82.4 | Confident | 78.3 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 24% | 0.235 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 136.9 | -168.5 | -171.8 | -80.2 | 0 | 0 | 0 | 109.3 | T1876 I1877 F1902 M1925 | T1876-Y1895 WeakPolarHBondContact CA-O 3.4Å; I1877-Y1895 PolarHBondContact N-O 2.81Å; I1877-Y1895 PolarHBondContact O-N 3.04Å; Y1895-F1902 AromaticContact CD1-CE2 3.67Å; Y1895-F1902 HydrophobicContact CD1-CE2 3.67Å; Y1895-F1902 AromaticContact CD1-CZ 3.79Å; Y1895-F1902 HydrophobicContact CD1-CZ 3.79Å; Y1895-F1902 AromaticContact CE1-CE2 3.65Å; Y1895-F1902 HydrophobicContact CE1-CE2 3.65Å; Y1895-F1902 AromaticContact CE1-CZ 3.44Å; Y1895-F1902 HydrophobicContact CE1-CZ 3.44Å; Y1895-F1902 VanDerWaalsContact CE1-CZ 3.44Å; Y1895-M1925 HydrophobicContact CD1-CE 4.48Å; Y1895-M1925 HydrophobicContact CE2-SD 4.36Å; Y1895-M1925 HydrophobicContact CG-CE 4.48Å |
| 1896 | T | 84.9 | Confident | 80.1 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 128.9 | -176.3 | -51 | 0 | 0 | 0 | 0 | 108.6 | T1876 E1893 | T1876-T1896 HydrophobicContact CG2-CG2 4.48Å; E1893-T1896 PolarHBondContact OE2-OG1 3.07Å; E1893-T1896 VanDerWaalsContact OE2-OG1 3.12Å |
| 1897 | S | 80.5 | Confident | 81.7 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 11% | 0.112 | 30% | 0.303 | C | S | . | . | trans | -132.8 | 129 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | H1875 F1899 N1900 | H1875-S1897 WeakPolarHBondContact CB-O 3.37Å; H1875-S1897 PolarHBondContact ND1-O 3.07Å; H1875-S1897 VanDerWaalsContact ND1-O 3.09Å; H1875-S1897 PolarHBondContact O-N 3.23Å; S1897-F1899 PolarHBondContact O-N 3.36Å; S1897-F1899 PolarHBondContact OG-N 3.42Å; S1897-N1900 WeakPolarHBondContact OG-CB 3.18Å; S1897-N1900 PolarHBondContact OG-N 3.06Å; S1897-N1900 VanDerWaalsContact OG-N 3.1Å | ||
| 1898 | Q | 72.9 | Confident | 83.2 | Confident | 173 Ų | 173 | 58.9 Ų | 58.9 | 81% | 0.808 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -68.5 | -15.8 | 176.6 | -67.6 | -176.5 | -17.8 | 0 | 0 | 113.5 | ||
| 1899 | F | 75.9 | Confident | 84.1 | Confident | 161 Ų | 161 | 54.1 Ų | 54.1 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -115.6 | -38.9 | -174.2 | -55 | -69.8 | 0 | 0 | 0 | 112.7 | S1897 | S1897-F1899 PolarHBondContact O-N 3.36Å; S1897-F1899 PolarHBondContact OG-N 3.42Å |
| 1900 | N | 82 | Confident | 84.9 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -95.2 | 143.2 | -165.9 | -49.7 | -8.8 | 0 | 0 | 0 | 110.3 | H1875 S1897 F1902 E1918 | H1875-N1900 PolarHBondContact ND1-O 3.41Å; S1897-N1900 WeakPolarHBondContact OG-CB 3.18Å; S1897-N1900 PolarHBondContact OG-N 3.06Å; S1897-N1900 VanDerWaalsContact OG-N 3.1Å; N1900-F1902 HydrophobicContact CB-CE2 4.35Å; N1900-F1902 HydrophobicContact CB-CZ 4.03Å; N1900-E1918 HydrophobicContact CB-CG 4.15Å; N1900-E1918 WeakPolarHBondContact CB-OE1 3.13Å; N1900-E1918 VanDerWaalsContact CG-OE1 3.29Å; N1900-E1918 PolarHBondContact ND2-OE1 3Å | ||
| 1901 | R | 87.3 | Confident | 85.5 | Confident | 111 Ų | 111 | 50.9 Ų | 50.9 | 42% | 0.419 | 24% | 0.242 | S | C | . | . | trans | -114.9 | 136 | 174.6 | -70.3 | -177 | 179.6 | 162.7 | 0.9 | 110.9 | G1874 H1875 E1919 | G1874-R1901 WeakPolarHBondContact O-CA 3.35Å; H1875-R1901 PolarHBondContact NE2-NE 3.31Å; H1875-R1901 PolarHBondContact NE2-NH2 3.07Å; R1901-E1919 HydrophobicContact CB-CB 4.3Å; R1901-E1919 WeakPolarHBondContact CB-OE2 3.02Å; R1901-E1919 WeakPolarHBondContact O-CB 3.14Å; R1901-E1919 PolarHBondContact O-N 3.04Å | ||
| 1902 | F | 89.5 | Confident | 85.8 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.2 | -177.5 | -59.5 | -71.8 | 0 | 0 | 0 | 111.2 | T1870 G1874 I1877 Y1895 N1900 A1916 W1917 E1918 M1925 | T1870-F1902 HydrophobicContact CG2-CB 4.41Å; G1874-F1902 WeakPolarHBondContact O-CD2 3.32Å; G1874-F1902 PolarHBondContact O-N 3.33Å; I1877-F1902 HydrophobicContact CD1-CB 4Å; I1877-F1902 HydrophobicContact CD1-CD1 4.05Å; I1877-F1902 HydrophobicContact CD1-CD2 4.01Å; I1877-F1902 HydrophobicContact CD1-CG 3.72Å; I1877-F1902 HydrophobicContact CG1-CB 3.99Å; I1877-F1902 HydrophobicContact CG1-CD2 3.82Å; I1877-F1902 HydrophobicContact CG1-CG 3.89Å; Y1895-F1902 AromaticContact CD1-CE2 3.67Å; Y1895-F1902 HydrophobicContact CD1-CE2 3.67Å; Y1895-F1902 AromaticContact CD1-CZ 3.79Å; Y1895-F1902 HydrophobicContact CD1-CZ 3.79Å; Y1895-F1902 AromaticContact CE1-CE2 3.65Å; Y1895-F1902 HydrophobicContact CE1-CE2 3.65Å; Y1895-F1902 AromaticContact CE1-CZ 3.44Å; Y1895-F1902 HydrophobicContact CE1-CZ 3.44Å; Y1895-F1902 VanDerWaalsContact CE1-CZ 3.44Å; N1900-F1902 HydrophobicContact CB-CE2 4.35Å; N1900-F1902 HydrophobicContact CB-CZ 4.03Å; F1902-A1916 HydrophobicContact CD1-CB 4.32Å; F1902-W1917 WeakPolarHBondContact CA-O 3.19Å; F1902-E1918 HydrophobicContact CD1-CB 4.39Å; F1902-E1918 HydrophobicContact CE1-CB 4.09Å; F1902-E1918 HydrophobicContact CE1-CG 4.04Å; F1902-M1925 HydrophobicContact CD1-CE 4.23Å; F1902-M1925 HydrophobicContact CE1-CE 3.59Å; F1902-M1925 HydrophobicContact CZ-CE 4Å |
| 1903 | R | 88.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 43.5 Ų | 43.5 | 26% | 0.26 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 176.8 | 174.6 | -55.3 | -169 | -165.2 | -131.9 | 26.9 | 110.2 | L1905 W1917 E1919 | R1903-L1905 PolarHBondContact O-N 2.93Å; R1903-W1917 PolarHBondContact N-O 2.98Å; R1903-W1917 WeakPolarHBondContact O-CB 3.47Å; R1903-W1917 PolarHBondContact O-N 2.75Å; R1903-E1919 IonicContact CZ-OE1 3.73Å; R1903-E1919 IonicContact CZ-OE2 2.82Å; R1903-E1919 VanDerWaalsContact CZ-OE2 3.32Å; R1903-E1919 VanDerWaalsContact NE-CD 3.25Å; R1903-E1919 IonicContact NE-OE1 2.63Å; R1903-E1919 PolarHBondContact NE-OE1 2.81Å; R1903-E1919 IonicContact NE-OE2 2.65Å; R1903-E1919 PolarHBondContact NE-OE2 3.44Å; R1903-E1919 VanDerWaalsContact NH2-CD 3.32Å; R1903-E1919 IonicContact NH2-OE1 2.76Å; R1903-E1919 PolarHBondContact NH2-OE1 2.79Å; R1903-E1919 IonicContact NH2-OE2 3.29Å; R1903-E1919 PolarHBondContact NH2-OE2 2.87Å; R1903-E1919 VanDerWaalsContact NH2-OE2 3.09Å |
| 1904 | N | 89.9 | Confident | 86.6 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 45.9 | 62.4 | 169.1 | -58 | -38.3 | 0 | 0 | 0 | 113.8 | R1855 W1917 F1952 | R1855-N1904 PolarHBondContact NH2-OD1 2.96Å; N1904-W1917 HydrophobicContact CB-CB 4.29Å; N1904-F1952 HydrophobicContact CB-CD1 4.31Å; N1904-F1952 HydrophobicContact CB-CE1 3.92Å; N1904-F1952 WeakPolarHBondContact ND2-CD1 2.98Å; N1904-F1952 PolarHBondContact ND2-O 2.83Å |
| 1905 | L | 93.6 | Very high | 87.2 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 146.1 | 177.4 | -58.4 | 179.3 | 0 | 0 | 0 | 111.6 | S1857 V1859 I1868 T1870 R1903 F1915 A1916 | S1857-L1905 PolarHBondContact OG-N 3.22Å; S1857-L1905 VanDerWaalsContact OG-N 3.1Å; V1859-L1905 HydrophobicContact CG1-CB 4.14Å; V1859-L1905 VanDerWaalsContact CG1-O 3.3Å; V1859-L1905 WeakPolarHBondContact CG1-O 3Å; V1859-L1905 HydrophobicContact CG2-CB 3.92Å; I1868-L1905 HydrophobicContact CG2-CD1 4.15Å; T1870-L1905 HydrophobicContact CG2-CD1 4.18Å; T1870-L1905 HydrophobicContact CG2-CG 4.41Å; R1903-L1905 PolarHBondContact O-N 2.93Å; L1905-F1915 WeakPolarHBondContact CA-O 3.35Å; L1905-A1916 HydrophobicContact CD2-CB 3.59Å |
| 1906 | A | 93.9 | Very high | 87.7 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 156 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1914 F1915 L1955 L1957 | A1906-V1914 WeakPolarHBondContact O-CA 3.45Å; A1906-F1915 PolarHBondContact N-O 2.04Å; A1906-F1915 PolarHBondContact O-N 3.28Å; A1906-L1955 HydrophobicContact CB-CB 4.41Å; A1906-L1955 HydrophobicContact CB-CD2 3.77Å; A1906-L1955 HydrophobicContact CB-CG 3.76Å; A1906-L1957 HydrophobicContact CB-CD1 3.72Å; A1906-L1957 HydrophobicContact CB-CG 3.82Å |
| 1907 | V | 92.1 | Very high | 88.1 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 12% | 0.121 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 135.7 | -179.4 | 63.3 | 0 | 0 | 0 | 0 | 111.3 | V1859 D1861 V1914 | V1859-V1907 HydrophobicContact CG2-CG1 4.35Å; D1861-V1907 HydrophobicContact CB-CG1 4.32Å; D1861-V1907 HydrophobicContact CB-CG2 4.13Å; V1907-V1914 HydrophobicContact CB-CG2 4.36Å; V1907-V1914 HydrophobicContact CG2-CG2 4Å |
| 1908 | D | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 93.6 | 163.6 | 171.2 | 29.4 | 0 | 0 | 0 | 109.3 | L1910 S1911 G1912 N1913 L1957 S1959 M1984 N2118 | D1908-L1910 PolarHBondContact O-N 3.12Å; D1908-L1910 WeakPolarHBondContact OD1-CB 3.37Å; D1908-L1910 PolarHBondContact OD1-N 2.9Å; D1908-L1910 VanDerWaalsContact OD1-N 3.09Å; D1908-S1911 VanDerWaalsContact CG-OG 3.3Å; D1908-S1911 PolarHBondContact O-N 3.4Å; D1908-S1911 PolarHBondContact O-OG 2.89Å; D1908-S1911 VanDerWaalsContact OD2-CB 3.25Å; D1908-S1911 WeakPolarHBondContact OD2-CB 3.47Å; D1908-S1911 PolarHBondContact OD2-N 3.01Å; D1908-S1911 PolarHBondContact OD2-OG 3.37Å; D1908-G1912 PolarHBondContact O-N 3.22Å; D1908-N1913 PolarHBondContact N-O 2.97Å; D1908-L1957 HydrophobicContact CB-CD1 4.45Å; D1908-S1959 WeakPolarHBondContact OD1-CA 3.01Å; D1908-S1959 WeakPolarHBondContact OD1-CB 3.32Å; D1908-S1959 PolarHBondContact OD1-OG 3.46Å; D1908-M1984 HydrophobicContact CB-CE 3.44Å; D1908-M1984 VanDerWaalsContact CB-CE 3.44Å; D1908-N2118 PolarHBondContact OD2-ND2 2.8Å |
| 1909 | S | 87.1 | Confident | 89 | Confident | 14 Ų | 14 | 28.5 Ų | 28.5 | 10% | 0.098 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -25 | 179.3 | -45.5 | 0 | 0 | 0 | 0 | 112.9 | D1861 C1862 N1863 S1911 | D1861-S1909 WeakPolarHBondContact OD1-CA 3.34Å; D1861-S1909 VanDerWaalsContact OD1-CB 3.31Å; D1861-S1909 WeakPolarHBondContact OD1-CB 3.28Å; C1862-S1909 VanDerWaalsContact SG-CB 3.59Å; N1863-S1909 WeakPolarHBondContact CB-O 3.03Å; N1863-S1909 PolarHBondContact ND2-O 2.76Å; S1909-S1911 VanDerWaalsContact C-N 3.32Å; S1909-S1911 PolarHBondContact O-N 2.03Å |
| 1910 | L | 86.5 | Confident | 89 | Confident | 15 Ų | 15 | 23.7 Ų | 23.7 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10 | 179.2 | -65.8 | -174.3 | 0 | 0 | 0 | 114.4 | D1908 T1960 S2116 N2118 T2121 | D1908-L1910 PolarHBondContact O-N 3.12Å; D1908-L1910 WeakPolarHBondContact OD1-CB 3.37Å; D1908-L1910 PolarHBondContact OD1-N 2.9Å; D1908-L1910 VanDerWaalsContact OD1-N 3.09Å; L1910-T1960 HydrophobicContact CD1-CG2 4.24Å; L1910-S2116 WeakPolarHBondContact CD2-O 3.13Å; L1910-N2118 WeakPolarHBondContact CB-ND2 3.45Å; L1910-N2118 HydrophobicContact CD1-CB 4.43Å; L1910-T2121 WeakPolarHBondContact O-CA 3.24Å; L1910-T2121 WeakPolarHBondContact O-CB 3.31Å; L1910-T2121 PolarHBondContact O-OG1 3.23Å |
| 1911 | S | 86.2 | Confident | 88.8 | Confident | 24 Ų | 24 | 29 Ų | 29 | 17% | 0.168 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -15.5 | 170.9 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | D1908 S1909 N1913 N1928 | D1908-S1911 VanDerWaalsContact CG-OG 3.3Å; D1908-S1911 PolarHBondContact O-N 3.4Å; D1908-S1911 PolarHBondContact O-OG 2.89Å; D1908-S1911 VanDerWaalsContact OD2-CB 3.25Å; D1908-S1911 WeakPolarHBondContact OD2-CB 3.47Å; D1908-S1911 PolarHBondContact OD2-N 3.01Å; D1908-S1911 PolarHBondContact OD2-OG 3.37Å; S1909-S1911 VanDerWaalsContact C-N 3.32Å; S1909-S1911 PolarHBondContact O-N 2.03Å; S1911-N1913 WeakPolarHBondContact OG-CB 3.05Å; S1911-N1913 PolarHBondContact OG-N 2.75Å; S1911-N1913 PolarHBondContact OG-ND2 3.29Å; S1911-N1928 PolarHBondContact O-ND2 2.78Å |
| 1912 | G | 87 | Confident | 88.4 | Confident | 9 Ų | 9 | 25 Ų | 25 | 9% | 0.093 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 15.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1908 N1928 P1929 | D1908-G1912 PolarHBondContact O-N 3.22Å; G1912-N1928 PolarHBondContact O-ND2 3.09Å; G1912-N1928 VanDerWaalsContact O-ND2 3.15Å; G1912-P1929 WeakPolarHBondContact O-CD 3.49Å |
| 1913 | N | 92.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.011 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 131.2 | 176.4 | -66.4 | -23.2 | 0 | 0 | 0 | 110.4 | D1908 S1911 F1915 V1926 F1927 N1928 C2131 | D1908-N1913 PolarHBondContact N-O 2.97Å; S1911-N1913 WeakPolarHBondContact OG-CB 3.05Å; S1911-N1913 PolarHBondContact OG-N 2.75Å; S1911-N1913 PolarHBondContact OG-ND2 3.29Å; N1913-F1915 HydrophobicContact CB-CE2 4.16Å; N1913-V1926 HydrophobicContact CB-CG1 4.3Å; N1913-F1927 WeakPolarHBondContact CA-O 3.46Å; N1913-N1928 PolarHBondContact OD1-ND2 3.27Å; N1913-C2131 PolarHBondContact ND2-O 3.48Å |
| 1914 | V | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.8 | 175.8 | 179 | 0 | 0 | 0 | 0 | 108.8 | I1868 A1906 V1907 V1926 F1927 P1929 | I1868-V1914 HydrophobicContact CD1-CG2 4.3Å; I1868-V1914 HydrophobicContact CG1-CG2 4.17Å; I1868-V1914 HydrophobicContact CG2-CG1 4.39Å; A1906-V1914 WeakPolarHBondContact O-CA 3.45Å; V1907-V1914 HydrophobicContact CB-CG2 4.36Å; V1907-V1914 HydrophobicContact CG2-CG2 4Å; V1914-V1926 WeakPolarHBondContact O-CA 3.49Å; V1914-F1927 HydrophobicContact CB-CD2 4.34Å; V1914-F1927 HydrophobicContact CB-CE1 4.07Å; V1914-F1927 HydrophobicContact CB-CE2 3.77Å; V1914-F1927 HydrophobicContact CB-CZ 3.63Å; V1914-F1927 HydrophobicContact CG1-CE1 3.87Å; V1914-F1927 HydrophobicContact CG1-CE2 4.1Å; V1914-F1927 HydrophobicContact CG1-CZ 3.46Å; V1914-F1927 VanDerWaalsContact CG1-CZ 3.46Å; V1914-F1927 HydrophobicContact CG2-CE2 4.28Å; V1914-F1927 HydrophobicContact CG2-CZ 4.46Å; V1914-F1927 PolarHBondContact N-O 2.83Å; V1914-F1927 PolarHBondContact O-N 2.06Å; V1914-P1929 HydrophobicContact CG2-CG 3.73Å |
| 1915 | F | 94.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.1 | 176.2 | -68.3 | -118.7 | 0 | 0 | 0 | 107.4 | L1905 A1906 N1913 I1924 M1925 V1926 L1938 L1955 L1957 M1964 M1984 L2132 | L1905-F1915 WeakPolarHBondContact CA-O 3.35Å; A1906-F1915 PolarHBondContact N-O 2.04Å; A1906-F1915 PolarHBondContact O-N 3.28Å; N1913-F1915 HydrophobicContact CB-CE2 4.16Å; F1915-I1924 HydrophobicContact CB-CG2 4.21Å; F1915-I1924 HydrophobicContact CD1-CG2 3.99Å; F1915-M1925 WeakPolarHBondContact CA-O 3.4Å; F1915-V1926 HydrophobicContact CD1-CG1 4.39Å; F1915-V1926 HydrophobicContact CD1-CG2 3.57Å; F1915-V1926 HydrophobicContact CD2-CG1 4.07Å; F1915-V1926 HydrophobicContact CE1-CG1 4.14Å; F1915-V1926 HydrophobicContact CE1-CG2 3.54Å; F1915-V1926 HydrophobicContact CE2-CG1 3.79Å; F1915-V1926 HydrophobicContact CG-CG1 4.34Å; F1915-V1926 HydrophobicContact CG-CG2 4.14Å; F1915-V1926 HydrophobicContact CZ-CG1 3.82Å; F1915-V1926 HydrophobicContact CZ-CG2 4.08Å; F1915-L1938 HydrophobicContact CD1-CD1 4.32Å; F1915-L1938 HydrophobicContact CE1-CD1 4.15Å; F1915-L1955 HydrophobicContact CB-CD2 3.8Å; F1915-L1957 HydrophobicContact CB-CD1 4.43Å; F1915-L1957 HydrophobicContact CD2-CD1 3.57Å; F1915-L1957 HydrophobicContact CE2-CD1 4Å; F1915-L1957 HydrophobicContact CG-CD1 4.05Å; F1915-M1964 HydrophobicContact CD1-SD 4.04Å; F1915-M1964 HydrophobicContact CE1-SD 4.2Å; F1915-M1984 HydrophobicContact CE2-CE 3.62Å; F1915-M1984 HydrophobicContact CZ-CB 4.17Å; F1915-M1984 HydrophobicContact CZ-CE 3.62Å; F1915-M1984 HydrophobicContact CZ-CG 4.47Å; F1915-L2132 HydrophobicContact CZ-CD2 4.17Å |
| 1916 | A | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1877 F1902 L1905 I1924 M1925 F1927 | I1877-A1916 HydrophobicContact CD1-CB 4.08Å; F1902-A1916 HydrophobicContact CD1-CB 4.32Å; L1905-A1916 HydrophobicContact CD2-CB 3.59Å; A1916-I1924 WeakPolarHBondContact O-CA 3.11Å; A1916-M1925 PolarHBondContact N-O 2.76Å; A1916-M1925 PolarHBondContact O-N 3.45Å; A1916-F1927 HydrophobicContact CB-CE1 4.19Å |
| 1917 | W | 92.5 | Very high | 88.2 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 9% | 0.087 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 125.7 | 171.8 | 175.1 | -106.1 | 0 | 0 | 0 | 110.4 | F1902 R1903 N1904 G1922 I1924 L1944 F1952 | F1902-W1917 WeakPolarHBondContact CA-O 3.19Å; R1903-W1917 PolarHBondContact N-O 2.98Å; R1903-W1917 WeakPolarHBondContact O-CB 3.47Å; R1903-W1917 PolarHBondContact O-N 2.75Å; N1904-W1917 HydrophobicContact CB-CB 4.29Å; W1917-G1922 VanDerWaalsContact CH2-CA 3.42Å; W1917-G1922 WeakPolarHBondContact CH2-O 3.21Å; W1917-G1922 VanDerWaalsContact CZ3-C 3.43Å; W1917-G1922 WeakPolarHBondContact CZ3-O 3.32Å; W1917-I1924 HydrophobicContact CE3-CG1 3.98Å; W1917-I1924 HydrophobicContact CZ3-CG1 4.37Å; W1917-L1944 HydrophobicContact CH2-CD2 4.13Å; W1917-L1944 HydrophobicContact CZ3-CD1 3.92Å; W1917-L1944 HydrophobicContact CZ3-CD2 4.17Å; W1917-F1952 HydrophobicContact CB-CD1 4.36Å; W1917-F1952 HydrophobicContact CB-CE1 4.32Å; W1917-F1952 HydrophobicContact CD2-CB 3.93Å; W1917-F1952 HydrophobicContact CD2-CD1 4.07Å; W1917-F1952 AromaticContact CD2-CD2 3.92Å; W1917-F1952 HydrophobicContact CD2-CD2 3.92Å; W1917-F1952 HydrophobicContact CD2-CE2 4.44Å; W1917-F1952 AromaticContact CD2-CG 3.71Å; W1917-F1952 HydrophobicContact CD2-CG 3.71Å; W1917-F1952 AromaticContact CE2-CG 3.9Å; W1917-F1952 HydrophobicContact CE3-CB 4.32Å; W1917-F1952 HydrophobicContact CE3-CD1 4.38Å; W1917-F1952 AromaticContact CE3-CD2 3.51Å; W1917-F1952 HydrophobicContact CE3-CD2 3.51Å; W1917-F1952 AromaticContact CE3-CE2 3.81Å; W1917-F1952 HydrophobicContact CE3-CE2 3.81Å; W1917-F1952 AromaticContact CE3-CG 3.82Å; W1917-F1952 HydrophobicContact CE3-CG 3.82Å; W1917-F1952 HydrophobicContact CE3-CZ 4.36Å; W1917-F1952 HydrophobicContact CG-CB 4.5Å; W1917-F1952 HydrophobicContact CG-CD1 4.06Å; W1917-F1952 HydrophobicContact CG-CE1 4.47Å; W1917-F1952 HydrophobicContact CG-CG 4.19Å; W1917-F1952 HydrophobicContact CH2-CB 4Å; W1917-F1952 AromaticContact CH2-CD2 3.93Å; W1917-F1952 HydrophobicContact CH2-CD2 3.93Å; W1917-F1952 HydrophobicContact CH2-CG 4.24Å; W1917-F1952 HydrophobicContact CZ2-CB 3.6Å; W1917-F1952 HydrophobicContact CZ2-CD2 4.32Å; W1917-F1952 HydrophobicContact CZ2-CG 4.17Å; W1917-F1952 HydrophobicContact CZ3-CB 4.35Å; W1917-F1952 AromaticContact CZ3-CD2 3.52Å; W1917-F1952 HydrophobicContact CZ3-CD2 3.52Å; W1917-F1952 HydrophobicContact CZ3-CE2 4.04Å; W1917-F1952 HydrophobicContact CZ3-CG 4.09Å |
| 1918 | E | 88.2 | Confident | 88 | Confident | 17 Ų | 17 | 24.7 Ų | 24.7 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 104.1 | 176.1 | -175.4 | 171.3 | -120.8 | 0 | 0 | 110.5 | N1900 F1902 A1920 F1921 G1922 K1923 | N1900-E1918 HydrophobicContact CB-CG 4.15Å; N1900-E1918 WeakPolarHBondContact CB-OE1 3.13Å; N1900-E1918 VanDerWaalsContact CG-OE1 3.29Å; N1900-E1918 PolarHBondContact ND2-OE1 3Å; F1902-E1918 HydrophobicContact CD1-CB 4.39Å; F1902-E1918 HydrophobicContact CE1-CB 4.09Å; F1902-E1918 HydrophobicContact CE1-CG 4.04Å; E1918-A1920 VanDerWaalsContact C-N 3.28Å; E1918-A1920 PolarHBondContact O-N 2.82Å; E1918-F1921 HydrophobicContact CG-CD2 4.32Å; E1918-F1921 PolarHBondContact O-N 2.87Å; E1918-F1921 WeakPolarHBondContact OE2-CD2 3.37Å; E1918-G1922 PolarHBondContact O-N 2.93Å; E1918-K1923 PolarHBondContact N-O 3.12Å; E1918-K1923 PolarHBondContact O-N 3.36Å |
| 1919 | E | 84.3 | Confident | 87.5 | Confident | 81 Ų | 81 | 25.5 Ų | 25.5 | 38% | 0.379 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -28.6 | -170.7 | -173.9 | 174.2 | -160.8 | 0 | 0 | 113.5 | R1901 R1903 | R1901-E1919 HydrophobicContact CB-CB 4.3Å; R1901-E1919 WeakPolarHBondContact CB-OE2 3.02Å; R1901-E1919 WeakPolarHBondContact O-CB 3.14Å; R1901-E1919 PolarHBondContact O-N 3.04Å; R1903-E1919 IonicContact CZ-OE1 3.73Å; R1903-E1919 IonicContact CZ-OE2 2.82Å; R1903-E1919 VanDerWaalsContact CZ-OE2 3.32Å; R1903-E1919 VanDerWaalsContact NE-CD 3.25Å; R1903-E1919 IonicContact NE-OE1 2.63Å; R1903-E1919 PolarHBondContact NE-OE1 2.81Å; R1903-E1919 IonicContact NE-OE2 2.65Å; R1903-E1919 PolarHBondContact NE-OE2 3.44Å; R1903-E1919 VanDerWaalsContact NH2-CD 3.32Å; R1903-E1919 IonicContact NH2-OE1 2.76Å; R1903-E1919 PolarHBondContact NH2-OE1 2.79Å; R1903-E1919 IonicContact NH2-OE2 3.29Å; R1903-E1919 PolarHBondContact NH2-OE2 2.87Å; R1903-E1919 VanDerWaalsContact NH2-OE2 3.09Å |
| 1920 | A | 75.9 | Confident | 87.2 | Confident | 60 Ų | 60 | 29.5 Ų | 29.5 | 50% | 0.496 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -26.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1918 | E1918-A1920 VanDerWaalsContact C-N 3.28Å; E1918-A1920 PolarHBondContact O-N 2.82Å |
| 1921 | F | 77.1 | Confident | 86.8 | Confident | 132 Ų | 132 | 32.7 Ų | 32.7 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | -7.1 | -176.2 | -69.1 | -71.7 | 0 | 0 | 0 | 114 | E1918 K1923 | E1918-F1921 HydrophobicContact CG-CD2 4.32Å; E1918-F1921 PolarHBondContact O-N 2.87Å; E1918-F1921 WeakPolarHBondContact OE2-CD2 3.37Å; F1921-K1923 HydrophobicContact CB-CD 4.49Å; F1921-K1923 HydrophobicContact CB-CG 4.23Å |
| 1922 | G | 80.7 | Confident | 86 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 34.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W1917 E1918 | W1917-G1922 VanDerWaalsContact CH2-CA 3.42Å; W1917-G1922 WeakPolarHBondContact CH2-O 3.21Å; W1917-G1922 VanDerWaalsContact CZ3-C 3.43Å; W1917-G1922 WeakPolarHBondContact CZ3-O 3.32Å; E1918-G1922 PolarHBondContact O-N 2.93Å |
| 1923 | K | 87 | Confident | 85.3 | Confident | 83 Ų | 83 | 39.4 Ų | 39.4 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 157.7 | -171.5 | -59.7 | -167.6 | -174.6 | -177.5 | 0 | 113 | E1918 F1921 T1937 | E1918-K1923 PolarHBondContact N-O 3.12Å; E1918-K1923 PolarHBondContact O-N 3.36Å; F1921-K1923 HydrophobicContact CB-CD 4.49Å; F1921-K1923 HydrophobicContact CB-CG 4.23Å; K1923-T1937 HydrophobicContact CB-CG2 4.09Å; K1923-T1937 HydrophobicContact CD-CG2 3.45Å; K1923-T1937 VanDerWaalsContact CD-CG2 3.45Å; K1923-T1937 HydrophobicContact CG-CG2 4.37Å |
| 1924 | I | 91.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.3 | 169.2 | -58.5 | 171.9 | 0 | 0 | 0 | 108.4 | F1915 A1916 W1917 L1938 L1941 L1944 F1952 L1955 M1964 | F1915-I1924 HydrophobicContact CB-CG2 4.21Å; F1915-I1924 HydrophobicContact CD1-CG2 3.99Å; A1916-I1924 WeakPolarHBondContact O-CA 3.11Å; W1917-I1924 HydrophobicContact CE3-CG1 3.98Å; W1917-I1924 HydrophobicContact CZ3-CG1 4.37Å; I1924-L1938 HydrophobicContact CB-CD1 4.08Å; I1924-L1938 HydrophobicContact CG2-CD1 3.92Å; I1924-L1938 PolarHBondContact O-N 3.17Å; I1924-L1941 HydrophobicContact CD1-CD1 3.93Å; I1924-L1944 HydrophobicContact CD1-CD1 4.45Å; I1924-F1952 HydrophobicContact CD1-CE2 4.16Å; I1924-F1952 HydrophobicContact CD1-CZ 4.45Å; I1924-F1952 HydrophobicContact CG1-CE2 4.45Å; I1924-L1955 HydrophobicContact CD1-CD1 4.48Å; I1924-M1964 HydrophobicContact CD1-CE 4.12Å; I1924-M1964 HydrophobicContact CD1-SD 4.05Å |
| 1925 | M | 90.6 | Very high | 84.5 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.3 | 172.6 | -179.4 | 177.7 | 66 | 0 | 0 | 109.7 | I1877 Y1895 F1902 F1915 A1916 F1927 H1935 | I1877-M1925 HydrophobicContact CD1-CE 4.33Å; Y1895-M1925 HydrophobicContact CD1-CE 4.48Å; Y1895-M1925 HydrophobicContact CE2-SD 4.36Å; Y1895-M1925 HydrophobicContact CG-CE 4.48Å; F1902-M1925 HydrophobicContact CD1-CE 4.23Å; F1902-M1925 HydrophobicContact CE1-CE 3.59Å; F1902-M1925 HydrophobicContact CZ-CE 4Å; F1915-M1925 WeakPolarHBondContact CA-O 3.4Å; A1916-M1925 PolarHBondContact N-O 2.76Å; A1916-M1925 PolarHBondContact O-N 3.45Å; M1925-F1927 HydrophobicContact CE-CD1 3.9Å; M1925-F1927 HydrophobicContact CE-CE1 4.09Å; M1925-F1927 HydrophobicContact CG-CD1 4.49Å; M1925-H1935 HydrophobicContact CG-CB 4.14Å; M1925-H1935 HydrophobicContact SD-CB 4.13Å |
| 1926 | V | 92.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.1 | 176.9 | -167.7 | 0 | 0 | 0 | 0 | 109.9 | N1913 V1914 F1915 H1935 Y1936 L1938 L2132 | N1913-V1926 HydrophobicContact CB-CG1 4.3Å; V1914-V1926 WeakPolarHBondContact O-CA 3.49Å; F1915-V1926 HydrophobicContact CD1-CG1 4.39Å; F1915-V1926 HydrophobicContact CD1-CG2 3.57Å; F1915-V1926 HydrophobicContact CD2-CG1 4.07Å; F1915-V1926 HydrophobicContact CE1-CG1 4.14Å; F1915-V1926 HydrophobicContact CE1-CG2 3.54Å; F1915-V1926 HydrophobicContact CE2-CG1 3.79Å; F1915-V1926 HydrophobicContact CG-CG1 4.34Å; F1915-V1926 HydrophobicContact CG-CG2 4.14Å; F1915-V1926 HydrophobicContact CZ-CG1 3.82Å; F1915-V1926 HydrophobicContact CZ-CG2 4.08Å; V1926-H1935 CarbonylContact O-C 3.53Å; V1926-H1935 VanDerWaalsContact O-CA 3.28Å; V1926-H1935 WeakPolarHBondContact O-CA 3.13Å; V1926-Y1936 PolarHBondContact N-O 3.25Å; V1926-Y1936 PolarHBondContact O-N 3.35Å; V1926-L1938 HydrophobicContact CG2-CD1 3.87Å; V1926-L1938 HydrophobicContact CG2-CG 4.13Å; V1926-L2132 HydrophobicContact CG1-CD2 4.09Å |
| 1927 | F | 89.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 167.7 | 178.2 | 63.2 | -87 | 0 | 0 | 0 | 111.1 | I1877 I1894 N1913 V1914 A1916 M1925 P1929 H1935 | I1877-F1927 HydrophobicContact CD1-CE1 3.88Å; I1877-F1927 HydrophobicContact CD1-CZ 3.95Å; I1877-F1927 HydrophobicContact CG2-CZ 4.2Å; I1894-F1927 HydrophobicContact CD1-CE2 3.83Å; I1894-F1927 HydrophobicContact CD1-CZ 4.42Å; I1894-F1927 HydrophobicContact CG2-CD2 3.96Å; I1894-F1927 HydrophobicContact CG2-CE2 3.8Å; N1913-F1927 WeakPolarHBondContact CA-O 3.46Å; V1914-F1927 HydrophobicContact CB-CD2 4.34Å; V1914-F1927 HydrophobicContact CB-CE1 4.07Å; V1914-F1927 HydrophobicContact CB-CE2 3.77Å; V1914-F1927 HydrophobicContact CB-CZ 3.63Å; V1914-F1927 HydrophobicContact CG1-CE1 3.87Å; V1914-F1927 HydrophobicContact CG1-CE2 4.1Å; V1914-F1927 HydrophobicContact CG1-CZ 3.46Å; V1914-F1927 VanDerWaalsContact CG1-CZ 3.46Å; V1914-F1927 HydrophobicContact CG2-CE2 4.28Å; V1914-F1927 HydrophobicContact CG2-CZ 4.46Å; V1914-F1927 PolarHBondContact N-O 2.83Å; V1914-F1927 PolarHBondContact O-N 2.06Å; A1916-F1927 HydrophobicContact CB-CE1 4.19Å; M1925-F1927 HydrophobicContact CE-CD1 3.9Å; M1925-F1927 HydrophobicContact CE-CE1 4.09Å; M1925-F1927 HydrophobicContact CG-CD1 4.49Å; F1927-P1929 HydrophobicContact CE2-CG 4.25Å; F1927-H1935 HydrophobicContact CB-CB 4.18Å |
| 1928 | N | 87.3 | Confident | 83.7 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | trans | -117.2 | 124.1 | 172.9 | -165.5 | -71.8 | 0 | 0 | 0 | 109.1 | S1911 G1912 N1913 N1930 K1931 | S1911-N1928 PolarHBondContact O-ND2 2.78Å; G1912-N1928 PolarHBondContact O-ND2 3.09Å; G1912-N1928 VanDerWaalsContact O-ND2 3.15Å; N1913-N1928 PolarHBondContact OD1-ND2 3.27Å; N1928-N1930 PolarHBondContact O-N 2.81Å; N1928-N1930 WeakPolarHBondContact OD1-CB 3Å; N1928-N1930 PolarHBondContact OD1-N 2.91Å; N1928-N1930 PolarHBondContact OD1-ND2 2.89Å; N1928-K1931 CarbonylContact O-C 3.59Å; N1928-K1931 WeakPolarHBondContact O-CA 3.39Å; N1928-K1931 PolarHBondContact O-N 3.35Å | ||
| 1929 | P | 81.9 | Confident | 82.8 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -20.7 | -177.7 | -27.3 | 35.8 | 0 | 0 | 0 | 114.8 | I1894 G1912 V1914 F1927 K1931 | I1894-P1929 HydrophobicContact CD1-CB 4.14Å; I1894-P1929 HydrophobicContact CD1-CG 4.19Å; G1912-P1929 WeakPolarHBondContact O-CD 3.49Å; V1914-P1929 HydrophobicContact CG2-CG 3.73Å; F1927-P1929 HydrophobicContact CE2-CG 4.25Å; P1929-K1931 VanDerWaalsContact C-N 3.33Å |
| 1930 | N | 79.5 | Confident | 81.9 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -7.4 | 175.9 | -50 | -73.8 | 0 | 0 | 0 | 113.1 | R1866 N1928 | R1866-N1930 PolarHBondContact NH1-OD1 3.07Å; R1866-N1930 PolarHBondContact NH2-OD1 2.03Å; N1928-N1930 PolarHBondContact O-N 2.81Å; N1928-N1930 WeakPolarHBondContact OD1-CB 3Å; N1928-N1930 PolarHBondContact OD1-N 2.91Å; N1928-N1930 PolarHBondContact OD1-ND2 2.89Å |
| 1931 | K | 79.1 | Confident | 82.2 | Confident | 82 Ų | 82 | 47 Ų | 47 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -139.5 | 59.6 | 178.3 | -59.2 | -178.3 | -173.9 | 175.8 | 0 | 110.4 | N1928 P1929 N1933 I1934 Y2129 | N1928-K1931 CarbonylContact O-C 3.59Å; N1928-K1931 WeakPolarHBondContact O-CA 3.39Å; N1928-K1931 PolarHBondContact O-N 3.35Å; P1929-K1931 VanDerWaalsContact C-N 3.33Å; K1931-N1933 PolarHBondContact O-N 2.83Å; K1931-I1934 HydrophobicContact CB-CB 4.24Å; K1931-I1934 HydrophobicContact CB-CD1 4.3Å; K1931-I1934 HydrophobicContact CD-CD1 4.09Å; K1931-I1934 PolarHBondContact O-N 3.45Å; K1931-Y2129 PolarHBondContact NZ-O 2.85Å; K1931-Y2129 VanDerWaalsContact NZ-O 3.16Å |
| 1932 | P | 67.9 | Low | 82.3 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 29% | 0.286 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.1 | -170.3 | 21.9 | -34.3 | 0 | 0 | 0 | 114.6 | I1894 I1934 | I1894-P1932 HydrophobicContact CG2-CB 3.85Å; I1894-P1932 WeakPolarHBondContact O-CB 3.49Å; P1932-I1934 PolarHBondContact O-N 3.48Å |
| 1933 | N | 74.2 | Confident | 82.3 | Confident | 130 Ų | 130 | 47.1 Ų | 47.1 | 70% | 0.695 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 0.4 | 178.6 | -58.2 | 8.4 | 0 | 0 | 0 | 113.6 | K1931 N2147 | K1931-N1933 PolarHBondContact O-N 2.83Å; N1933-N2147 PolarHBondContact O-ND2 3.41Å |
| 1934 | I | 80.5 | Confident | 81.9 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | trans | -119.7 | 102.5 | 179.9 | -73.2 | 161.9 | 0 | 0 | 0 | 108.2 | K1931 P1932 Y2129 I2130 P2145 | K1931-I1934 HydrophobicContact CB-CB 4.24Å; K1931-I1934 HydrophobicContact CB-CD1 4.3Å; K1931-I1934 HydrophobicContact CD-CD1 4.09Å; K1931-I1934 PolarHBondContact O-N 3.45Å; P1932-I1934 PolarHBondContact O-N 3.48Å; I1934-Y2129 HydrophobicContact CD1-CD1 4.1Å; I1934-I2130 HydrophobicContact CG2-CD1 3.73Å; I1934-I2130 HydrophobicContact CG2-CG1 3.7Å; I1934-P2145 HydrophobicContact CG1-CG 4.18Å; I1934-P2145 HydrophobicContact CG2-CB 4.19Å; I1934-P2145 HydrophobicContact CG2-CG 3.88Å | ||
| 1935 | H | 86.4 | Confident | 80.8 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 19% | 0.194 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 155.7 | 171.6 | 49.1 | -95.1 | 0 | 0 | 0 | 110 | M1925 V1926 F1927 P2145 D2146 | M1925-H1935 HydrophobicContact CG-CB 4.14Å; M1925-H1935 HydrophobicContact SD-CB 4.13Å; V1926-H1935 CarbonylContact O-C 3.53Å; V1926-H1935 VanDerWaalsContact O-CA 3.28Å; V1926-H1935 WeakPolarHBondContact O-CA 3.13Å; F1927-H1935 HydrophobicContact CB-CB 4.18Å; H1935-P2145 VanDerWaalsContact O-CA 3.31Å; H1935-P2145 WeakPolarHBondContact O-CA 3.33Å; H1935-D2146 IonicContact CD2-OD2 2.7Å; H1935-D2146 PolarHBondContact O-N 3.08Å |
| 1936 | Y | 88.3 | Confident | 79.6 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 136.7 | 174.1 | 169.6 | -105 | 0 | 0 | 0 | 110 | V1926 L1938 L2132 V2143 C2144 D2146 | V1926-Y1936 PolarHBondContact N-O 3.25Å; V1926-Y1936 PolarHBondContact O-N 3.35Å; Y1936-L1938 HydrophobicContact CE1-CD2 3.97Å; Y1936-L1938 HydrophobicContact CE1-CG 4.39Å; Y1936-L2132 HydrophobicContact CD1-CD1 4.16Å; Y1936-L2132 HydrophobicContact CE1-CD1 3.98Å; Y1936-V2143 HydrophobicContact CD1-CB 4.14Å; Y1936-V2143 HydrophobicContact CD1-CG1 4.39Å; Y1936-V2143 HydrophobicContact CD1-CG2 3.63Å; Y1936-V2143 HydrophobicContact CD2-CB 4.03Å; Y1936-V2143 HydrophobicContact CD2-CG2 4.06Å; Y1936-V2143 HydrophobicContact CE1-CB 4.07Å; Y1936-V2143 HydrophobicContact CE1-CG1 3.9Å; Y1936-V2143 HydrophobicContact CE1-CG2 4.01Å; Y1936-V2143 HydrophobicContact CE2-CB 3.95Å; Y1936-V2143 HydrophobicContact CE2-CG1 4.31Å; Y1936-V2143 HydrophobicContact CE2-CG2 4.4Å; Y1936-V2143 HydrophobicContact CG-CB 4.1Å; Y1936-V2143 HydrophobicContact CG-CG2 3.63Å; Y1936-C2144 VanDerWaalsContact CD2-O 3.23Å; Y1936-C2144 WeakPolarHBondContact CD2-O 3.01Å; Y1936-D2146 WeakPolarHBondContact CA-OD1 3.3Å; Y1936-D2146 WeakPolarHBondContact CA-OD2 3.23Å |
| 1937 | T | 88.1 | Confident | 77.9 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 13% | 0.129 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.9 | -180 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | K1923 E1939 D2146 | K1923-T1937 HydrophobicContact CB-CG2 4.09Å; K1923-T1937 HydrophobicContact CD-CG2 3.45Å; K1923-T1937 VanDerWaalsContact CD-CG2 3.45Å; K1923-T1937 HydrophobicContact CG-CG2 4.37Å; T1937-E1939 PolarHBondContact O-N 2.81Å; T1937-D2146 WeakPolarHBondContact CB-OD2 3.32Å; T1937-D2146 PolarHBondContact N-OD1 3.09Å; T1937-D2146 PolarHBondContact N-OD2 3.34Å; T1937-D2146 PolarHBondContact OG1-OD2 3.01Å |
| 1938 | L | 87.5 | Confident | 76.6 | Confident | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | trans | -77.9 | 79.1 | -177.1 | -79.8 | 163.6 | 0 | 0 | 0 | 113 | F1915 I1924 V1926 Y1936 S1940 L1941 M1964 | F1915-L1938 HydrophobicContact CD1-CD1 4.32Å; F1915-L1938 HydrophobicContact CE1-CD1 4.15Å; I1924-L1938 HydrophobicContact CB-CD1 4.08Å; I1924-L1938 HydrophobicContact CG2-CD1 3.92Å; I1924-L1938 PolarHBondContact O-N 3.17Å; V1926-L1938 HydrophobicContact CG2-CD1 3.87Å; V1926-L1938 HydrophobicContact CG2-CG 4.13Å; Y1936-L1938 HydrophobicContact CE1-CD2 3.97Å; Y1936-L1938 HydrophobicContact CE1-CG 4.39Å; L1938-S1940 PolarHBondContact O-N 2.79Å; L1938-L1941 HydrophobicContact CB-CD1 4.44Å; L1938-M1964 HydrophobicContact CD1-CE 4.24Å; L1938-M1964 HydrophobicContact CD1-SD 4.42Å | ||
| 1939 | E | 69.8 | Low | 75.5 | Confident | 151 Ų | 151 | 71 Ų | 71 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 41.7 | -179.4 | -55 | -160.5 | 126.3 | 0 | 0 | 115.6 | T1937 | T1937-E1939 PolarHBondContact O-N 2.81Š|
| 1940 | S | 64.9 | Low | 75.1 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 43% | 0.434 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | -20.8 | -173.5 | -56.7 | 0 | 0 | 0 | 0 | 117.1 | L1938 H1942 | L1938-S1940 PolarHBondContact O-N 2.79Å; S1940-H1942 PolarHBondContact O-N 3.47Å |
| 1941 | L | 81.8 | Confident | 75.3 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | trans | -74.5 | 116.4 | -161.7 | -64.6 | 171.5 | 0 | 0 | 0 | 112.3 | I1924 L1938 L1944 T1945 M1964 W1966 E1989 | I1924-L1941 HydrophobicContact CD1-CD1 3.93Å; L1938-L1941 HydrophobicContact CB-CD1 4.44Å; L1941-L1944 HydrophobicContact CB-CB 4.28Å; L1941-L1944 HydrophobicContact CB-CD1 4.09Å; L1941-L1944 HydrophobicContact CB-CG 4.25Å; L1941-L1944 HydrophobicContact CD1-CD1 3.77Å; L1941-L1944 PolarHBondContact O-N 2.65Å; L1941-T1945 WeakPolarHBondContact O-CG2 3.16Å; L1941-T1945 PolarHBondContact O-N 3.44Å; L1941-T1945 VanDerWaalsContact O-N 3.1Å; L1941-T1945 PolarHBondContact O-OG1 2.84Å; L1941-T1945 VanDerWaalsContact O-OG1 3.07Å; L1941-M1964 HydrophobicContact CD1-CE 3.96Å; L1941-M1964 HydrophobicContact CD2-CE 4.28Å; L1941-W1966 HydrophobicContact CD1-CZ2 4.45Å; L1941-W1966 HydrophobicContact CD2-CH2 3.75Å; L1941-W1966 HydrophobicContact CD2-CZ2 3.97Å; L1941-E1989 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 1942 | H | 80.8 | Confident | 75.7 | Confident | 147 Ų | 147 | 67 Ų | 67 | 68% | 0.681 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -42.7 | -172.6 | -171.6 | 28.4 | 0 | 0 | 0 | 112.2 | S1940 L1944 T1945 S1946 E1989 | S1940-H1942 PolarHBondContact O-N 3.47Å; H1942-L1944 VanDerWaalsContact C-N 3.31Å; H1942-L1944 PolarHBondContact O-N 2.78Å; H1942-T1945 VanDerWaalsContact CA-OG1 3.32Å; H1942-T1945 WeakPolarHBondContact CA-OG1 3Å; H1942-T1945 PolarHBondContact O-N 2.73Å; H1942-T1945 VanDerWaalsContact O-N 3.15Å; H1942-T1945 PolarHBondContact O-OG1 3.47Å; H1942-S1946 PolarHBondContact O-N 2.91Å; H1942-E1989 PolarHBondContact N-OE2 2.82Å |
| 1943 | S | 79.5 | Confident | 76.5 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -57.9 | -43.2 | 176.1 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | T1945 S1946 Q1950 W1966 E1989 | S1943-T1945 VanDerWaalsContact C-N 3.34Å; S1943-T1945 PolarHBondContact O-N 2.86Å; S1943-S1946 WeakPolarHBondContact O-CB 3.44Å; S1943-S1946 PolarHBondContact O-N 3.17Å; S1943-Q1950 PolarHBondContact O-NE2 3.38Å; S1943-Q1950 PolarHBondContact O-OE1 3.47Å; S1943-W1966 PolarHBondContact OG-NE1 2.94Å; S1943-E1989 WeakPolarHBondContact CB-OE1 3.38Å; S1943-E1989 PolarHBondContact N-OE1 3.08Å; S1943-E1989 PolarHBondContact OG-OE1 3.15Å |
| 1944 | L | 78.4 | Confident | 77.1 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -76.6 | -16.1 | 179.2 | -58.3 | 179.7 | 0 | 0 | 0 | 114 | W1917 I1924 L1941 H1942 S1946 F1952 I1968 | W1917-L1944 HydrophobicContact CH2-CD2 4.13Å; W1917-L1944 HydrophobicContact CZ3-CD1 3.92Å; W1917-L1944 HydrophobicContact CZ3-CD2 4.17Å; I1924-L1944 HydrophobicContact CD1-CD1 4.45Å; L1941-L1944 HydrophobicContact CB-CB 4.28Å; L1941-L1944 HydrophobicContact CB-CD1 4.09Å; L1941-L1944 HydrophobicContact CB-CG 4.25Å; L1941-L1944 HydrophobicContact CD1-CD1 3.77Å; L1941-L1944 PolarHBondContact O-N 2.65Å; H1942-L1944 VanDerWaalsContact C-N 3.31Å; H1942-L1944 PolarHBondContact O-N 2.78Å; L1944-S1946 VanDerWaalsContact C-N 3.34Å; L1944-F1952 HydrophobicContact CD2-CD2 4.39Å; L1944-I1968 HydrophobicContact CD2-CG2 4.14Å |
| 1945 | T | 69.2 | Low | 77.8 | Confident | 100 Ų | 100 | 58.1 Ų | 58.1 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -93.1 | 8.1 | 173.1 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | L1941 H1942 S1943 | L1941-T1945 WeakPolarHBondContact O-CG2 3.16Å; L1941-T1945 PolarHBondContact O-N 3.44Å; L1941-T1945 VanDerWaalsContact O-N 3.1Å; L1941-T1945 PolarHBondContact O-OG1 2.84Å; L1941-T1945 VanDerWaalsContact O-OG1 3.07Å; H1942-T1945 VanDerWaalsContact CA-OG1 3.32Å; H1942-T1945 WeakPolarHBondContact CA-OG1 3Å; H1942-T1945 PolarHBondContact O-N 2.73Å; H1942-T1945 VanDerWaalsContact O-N 3.15Å; H1942-T1945 PolarHBondContact O-OG1 3.47Å; S1943-T1945 VanDerWaalsContact C-N 3.34Å; S1943-T1945 PolarHBondContact O-N 2.86Å |
| 1946 | S | 64.5 | Low | 78.2 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | trans | -51.1 | 142.2 | 168.8 | 157.9 | 0 | 0 | 0 | 0 | 112.5 | H1942 S1943 L1944 E1948 Q1950 | H1942-S1946 PolarHBondContact O-N 2.91Å; S1943-S1946 WeakPolarHBondContact O-CB 3.44Å; S1943-S1946 PolarHBondContact O-N 3.17Å; L1944-S1946 VanDerWaalsContact C-N 3.34Å; S1946-E1948 PolarHBondContact O-N 3.3Å; S1946-E1948 WeakPolarHBondContact OG-CA 3.25Å; S1946-E1948 WeakPolarHBondContact OG-CB 3.49Å; S1946-E1948 PolarHBondContact OG-N 3.13Å; S1946-E1948 PolarHBondContact OG-O 2.79Å; S1946-Q1950 PolarHBondContact OG-NE2 3.3Å | ||
| 1947 | S | 57.5 | Low | 78.4 | Confident | 132 Ų | 132 | 56.4 Ų | 56.4 | 92% | 0.923 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -74.1 | -13.4 | 170.5 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1948 | E | 61.5 | Low | 78.6 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -88.4 | 135.2 | 170.7 | -61.5 | -177.5 | 173.9 | 0 | 0 | 110 | S1946 Q1950 | S1946-E1948 PolarHBondContact O-N 3.3Å; S1946-E1948 WeakPolarHBondContact OG-CA 3.25Å; S1946-E1948 WeakPolarHBondContact OG-CB 3.49Å; S1946-E1948 PolarHBondContact OG-N 3.13Å; S1946-E1948 PolarHBondContact OG-O 2.79Å; E1948-Q1950 PolarHBondContact O-N 3.3Å |
| 1949 | Q | 64.7 | Low | 78.7 | Confident | 165 Ų | 165 | 55.9 Ų | 55.9 | 77% | 0.771 | 30% | 0.304 | S | S | * | . | trans | -69.8 | 113.7 | -179.9 | -175 | 172.9 | -9.2 | 0 | 0 | 110.2 | ||||
| 1950 | Q | 72.1 | Confident | 79.4 | Confident | 50 Ų | 50 | 51 Ų | 51 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 140.1 | -178.3 | -68.1 | 176.1 | 20.4 | 0 | 0 | 111.6 | S1943 S1946 E1948 Y1969 T1970 | S1943-Q1950 PolarHBondContact O-NE2 3.38Å; S1943-Q1950 PolarHBondContact O-OE1 3.47Å; S1946-Q1950 PolarHBondContact OG-NE2 3.3Å; E1948-Q1950 PolarHBondContact O-N 3.3Å; Q1950-Y1969 WeakPolarHBondContact CA-O 3.46Å; Q1950-T1970 HydrophobicContact CG-CG2 4.44Å |
| 1951 | N | 84.6 | Confident | 80.5 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138.8 | 176.9 | -69 | -32 | 0 | 0 | 0 | 110.9 | I1968 Y1969 D1971 | N1951-I1968 VanDerWaalsContact O-CA 3.31Å; N1951-I1968 WeakPolarHBondContact O-CA 3.44Å; N1951-Y1969 HydrophobicContact CB-CD1 3.92Å; N1951-Y1969 HydrophobicContact CB-CD2 4.36Å; N1951-Y1969 HydrophobicContact CB-CE1 3.49Å; N1951-Y1969 VanDerWaalsContact CB-CE1 3.49Å; N1951-Y1969 HydrophobicContact CB-CE2 4.01Å; N1951-Y1969 HydrophobicContact CB-CG 4.36Å; N1951-Y1969 PolarHBondContact N-O 3.19Å; N1951-Y1969 WeakPolarHBondContact O-CD1 3.36Å; N1951-Y1969 PolarHBondContact O-N 2.78Å; N1951-Y1969 VanDerWaalsContact O-N 3.08Å; N1951-D1971 PolarHBondContact ND2-OD1 2.86Å; N1951-D1971 PolarHBondContact ND2-OD2 2.79Å |
| 1952 | F | 88 | Confident | 80.9 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.088 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.8 | -173.8 | -169.3 | -74.2 | 0 | 0 | 0 | 111.2 | N1904 W1917 I1924 L1944 G1954 L1955 W1966 I1968 | N1904-F1952 HydrophobicContact CB-CD1 4.31Å; N1904-F1952 HydrophobicContact CB-CE1 3.92Å; N1904-F1952 WeakPolarHBondContact ND2-CD1 2.98Å; N1904-F1952 PolarHBondContact ND2-O 2.83Å; W1917-F1952 HydrophobicContact CB-CD1 4.36Å; W1917-F1952 HydrophobicContact CB-CE1 4.32Å; W1917-F1952 HydrophobicContact CD2-CB 3.93Å; W1917-F1952 HydrophobicContact CD2-CD1 4.07Å; W1917-F1952 AromaticContact CD2-CD2 3.92Å; W1917-F1952 HydrophobicContact CD2-CD2 3.92Å; W1917-F1952 HydrophobicContact CD2-CE2 4.44Å; W1917-F1952 AromaticContact CD2-CG 3.71Å; W1917-F1952 HydrophobicContact CD2-CG 3.71Å; W1917-F1952 AromaticContact CE2-CG 3.9Å; W1917-F1952 HydrophobicContact CE3-CB 4.32Å; W1917-F1952 HydrophobicContact CE3-CD1 4.38Å; W1917-F1952 AromaticContact CE3-CD2 3.51Å; W1917-F1952 HydrophobicContact CE3-CD2 3.51Å; W1917-F1952 AromaticContact CE3-CE2 3.81Å; W1917-F1952 HydrophobicContact CE3-CE2 3.81Å; W1917-F1952 AromaticContact CE3-CG 3.82Å; W1917-F1952 HydrophobicContact CE3-CG 3.82Å; W1917-F1952 HydrophobicContact CE3-CZ 4.36Å; W1917-F1952 HydrophobicContact CG-CB 4.5Å; W1917-F1952 HydrophobicContact CG-CD1 4.06Å; W1917-F1952 HydrophobicContact CG-CE1 4.47Å; W1917-F1952 HydrophobicContact CG-CG 4.19Å; W1917-F1952 HydrophobicContact CH2-CB 4Å; W1917-F1952 AromaticContact CH2-CD2 3.93Å; W1917-F1952 HydrophobicContact CH2-CD2 3.93Å; W1917-F1952 HydrophobicContact CH2-CG 4.24Å; W1917-F1952 HydrophobicContact CZ2-CB 3.6Å; W1917-F1952 HydrophobicContact CZ2-CD2 4.32Å; W1917-F1952 HydrophobicContact CZ2-CG 4.17Å; W1917-F1952 HydrophobicContact CZ3-CB 4.35Å; W1917-F1952 AromaticContact CZ3-CD2 3.52Å; W1917-F1952 HydrophobicContact CZ3-CD2 3.52Å; W1917-F1952 HydrophobicContact CZ3-CE2 4.04Å; W1917-F1952 HydrophobicContact CZ3-CG 4.09Å; I1924-F1952 HydrophobicContact CD1-CE2 4.16Å; I1924-F1952 HydrophobicContact CD1-CZ 4.45Å; I1924-F1952 HydrophobicContact CG1-CE2 4.45Å; L1944-F1952 HydrophobicContact CD2-CD2 4.39Å; F1952-G1954 WeakPolarHBondContact CE1-O 3.46Å; F1952-L1955 HydrophobicContact CE1-CB 4.06Å; F1952-L1955 HydrophobicContact CZ-CB 3.99Å; F1952-L1955 HydrophobicContact CZ-CD1 4.27Å; F1952-W1966 HydrophobicContact CE2-CB 3.7Å; F1952-W1966 AromaticContact CE2-CD1 3.69Å; F1952-W1966 AromaticContact CE2-CG 3.93Å; F1952-W1966 HydrophobicContact CE2-CG 3.93Å; F1952-W1966 HydrophobicContact CZ-CB 3.66Å; F1952-W1966 HydrophobicContact CZ-CG 4.38Å; F1952-I1968 HydrophobicContact CD2-CG2 4.3Å |
| 1953 | A | 83.5 | Confident | 81.6 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -38.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1967 Y1969 P1999 | A1953-A1967 HydrophobicContact CB-CB 4.12Å; A1953-A1967 PolarHBondContact N-O 3.37Å; A1953-Y1969 HydrophobicContact CB-CD1 4.43Å; A1953-Y1969 HydrophobicContact CB-CE1 4.29Å; A1953-P1999 HydrophobicContact CB-CB 3.75Å; A1953-P1999 HydrophobicContact CB-CG 3.65Å; A1953-P1999 WeakPolarHBondContact CB-O 3.32Å |
| 1954 | G | 88.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | 163.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1952 W1966 A1967 I2002 | F1952-G1954 WeakPolarHBondContact CE1-O 3.46Å; G1954-W1966 VanDerWaalsContact O-CA 3.31Å; G1954-W1966 WeakPolarHBondContact O-CA 3.45Å; G1954-A1967 PolarHBondContact O-N 3.27Å; G1954-I2002 VanDerWaalsContact C-CG2 3.43Å |
| 1955 | L | 94.3 | Very high | 83 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 136.9 | -172.6 | -178.3 | 63.4 | 0 | 0 | 0 | 110.3 | A1906 F1915 I1924 F1952 M1964 W1966 | A1906-L1955 HydrophobicContact CB-CB 4.41Å; A1906-L1955 HydrophobicContact CB-CD2 3.77Å; A1906-L1955 HydrophobicContact CB-CG 3.76Å; F1915-L1955 HydrophobicContact CB-CD2 3.8Å; I1924-L1955 HydrophobicContact CD1-CD1 4.48Å; F1952-L1955 HydrophobicContact CE1-CB 4.06Å; F1952-L1955 HydrophobicContact CZ-CB 3.99Å; F1952-L1955 HydrophobicContact CZ-CD1 4.27Å; L1955-M1964 HydrophobicContact CD1-CG 3.73Å; L1955-M1964 HydrophobicContact CD1-SD 3.96Å; L1955-W1966 HydrophobicContact CD1-CB 4.19Å |
| 1956 | A | 93.7 | Very high | 84.3 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1965 I2002 I2004 | A1956-Y1965 PolarHBondContact N-O 3.04Å; A1956-Y1965 PolarHBondContact O-N 2.81Å; A1956-I2002 HydrophobicContact CB-CG2 4.23Å; A1956-I2004 HydrophobicContact CB-CB 4.3Å; A1956-I2004 HydrophobicContact CB-CG2 3.97Å |
| 1957 | L | 93.3 | Very high | 85.6 | Confident | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142.5 | -175.8 | -63.5 | 173.6 | 0 | 0 | 0 | 111.3 | A1906 D1908 F1915 M1964 M1984 I2004 | A1906-L1957 HydrophobicContact CB-CD1 3.72Å; A1906-L1957 HydrophobicContact CB-CG 3.82Å; D1908-L1957 HydrophobicContact CB-CD1 4.45Å; F1915-L1957 HydrophobicContact CB-CD1 4.43Å; F1915-L1957 HydrophobicContact CD2-CD1 3.57Å; F1915-L1957 HydrophobicContact CE2-CD1 4Å; F1915-L1957 HydrophobicContact CG-CD1 4.05Å; L1957-M1964 HydrophobicContact CD2-CB 3.77Å; L1957-M1964 HydrophobicContact CD2-CG 3.72Å; L1957-M1964 HydrophobicContact CD2-SD 4.4Å; L1957-M1984 HydrophobicContact CD2-CG 4.28Å; L1957-I2004 WeakPolarHBondContact O-CG2 3.34Å |
| 1958 | H | 92 | Very high | 87.2 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 85.3 | 173.4 | -165.8 | -42.9 | 0 | 0 | 0 | 109.4 | T1960 L1961 G1962 L1963 Y1965 I2004 A2015 | H1958-T1960 PolarHBondContact CE1-OG1 2.84Å; H1958-T1960 PolarHBondContact ND1-OG1 2.67Å; H1958-T1960 PolarHBondContact O-N 2.63Å; H1958-L1961 PolarHBondContact ND1-N 3.37Å; H1958-L1961 PolarHBondContact O-N 3.43Å; H1958-G1962 PolarHBondContact O-N 2.88Å; H1958-L1963 HydrophobicContact CB-CB 4.25Å; H1958-L1963 PolarHBondContact N-O 2.94Å; H1958-L1963 PolarHBondContact O-N 2.89Å; H1958-Y1965 HydrophobicContact CB-CE2 3.81Å; H1958-I2004 HydrophobicContact CB-CD1 4.2Å; H1958-A2015 PolarHBondContact NE2-O 3.49Å |
| 1959 | S | 89.4 | Confident | 88.5 | Confident | 19 Ų | 19 | 22.3 Ų | 22.3 | 13% | 0.133 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -30.3 | -175 | -68.1 | 0 | 0 | 0 | 0 | 115.5 | D1908 N2118 | D1908-S1959 WeakPolarHBondContact OD1-CA 3.01Å; D1908-S1959 WeakPolarHBondContact OD1-CB 3.32Å; D1908-S1959 PolarHBondContact OD1-OG 3.46Å; S1959-N2118 WeakPolarHBondContact O-CB 3.34Å; S1959-N2118 PolarHBondContact O-ND2 2.94Å |
| 1960 | T | 84.8 | Confident | 89.2 | Confident | 48 Ų | 48 | 16.5 Ų | 16.5 | 29% | 0.294 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -31.2 | -172.2 | 89.8 | 0 | 0 | 0 | 0 | 112.6 | L1910 H1958 G2137 | L1910-T1960 HydrophobicContact CD1-CG2 4.24Å; H1958-T1960 PolarHBondContact CE1-OG1 2.84Å; H1958-T1960 PolarHBondContact ND1-OG1 2.67Å; H1958-T1960 PolarHBondContact O-N 2.63Å; T1960-G2137 WeakPolarHBondContact O-CA 3.09Å |
| 1961 | L | 88.8 | Confident | 89 | Confident | 31 Ų | 31 | 19.4 Ų | 19.4 | 16% | 0.162 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -14.2 | 172.4 | -68.4 | 178.5 | 0 | 0 | 0 | 113.3 | H1958 L1963 A2015 D2135 G2136 G2137 | H1958-L1961 PolarHBondContact ND1-N 3.37Å; H1958-L1961 PolarHBondContact O-N 3.43Å; L1961-L1963 HydrophobicContact CB-CD1 3.81Å; L1961-L1963 HydrophobicContact CB-CG 3.93Å; L1961-L1963 HydrophobicContact CD1-CD1 3.96Å; L1961-A2015 HydrophobicContact CD1-CB 3.6Å; L1961-D2135 CarbonylContact O-C 3.49Å; L1961-G2136 PolarHBondContact O-N 3.13Å; L1961-G2137 PolarHBondContact O-N 2.9Å |
| 1962 | G | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 30.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H1958 S1983 M1984 | H1958-G1962 PolarHBondContact O-N 2.88Å; G1962-S1983 CarbonylContact O-C 3.59Å; G1962-S1983 WeakPolarHBondContact O-CA 3.46Å; G1962-M1984 PolarHBondContact O-N 2.99Å |
| 1963 | L | 93.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 145.9 | -175.8 | -63.2 | 171.5 | 0 | 0 | 0 | 112 | H1958 L1961 Y1965 V1981 A1982 R2045 D2135 | H1958-L1963 HydrophobicContact CB-CB 4.25Å; H1958-L1963 PolarHBondContact N-O 2.94Å; H1958-L1963 PolarHBondContact O-N 2.89Å; L1961-L1963 HydrophobicContact CB-CD1 3.81Å; L1961-L1963 HydrophobicContact CB-CG 3.93Å; L1961-L1963 HydrophobicContact CD1-CD1 3.96Å; L1963-Y1965 HydrophobicContact CB-CE2 3.71Å; L1963-Y1965 VanDerWaalsContact CD1-OH 3.29Å; L1963-Y1965 WeakPolarHBondContact CD1-OH 3.05Å; L1963-V1981 HydrophobicContact CB-CG2 4.32Å; L1963-V1981 HydrophobicContact CD2-CG2 4.22Å; L1963-A1982 CarbonylContact C-O 3.58Å; L1963-A1982 WeakPolarHBondContact CA-O 3.24Å; L1963-R2045 HydrophobicContact CD1-CG 4.4Å; L1963-R2045 HydrophobicContact CD2-CG 4.41Å; L1963-D2135 WeakPolarHBondContact CD2-OD1 3.11Å |
| 1964 | M | 93.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.8 | 172.8 | 178.2 | 174.5 | 70.6 | 0 | 0 | 109.3 | F1915 I1924 L1938 L1941 L1955 L1957 W1966 V1981 A1982 M1984 | F1915-M1964 HydrophobicContact CD1-SD 4.04Å; F1915-M1964 HydrophobicContact CE1-SD 4.2Å; I1924-M1964 HydrophobicContact CD1-CE 4.12Å; I1924-M1964 HydrophobicContact CD1-SD 4.05Å; L1938-M1964 HydrophobicContact CD1-CE 4.24Å; L1938-M1964 HydrophobicContact CD1-SD 4.42Å; L1941-M1964 HydrophobicContact CD1-CE 3.96Å; L1941-M1964 HydrophobicContact CD2-CE 4.28Å; L1955-M1964 HydrophobicContact CD1-CG 3.73Å; L1955-M1964 HydrophobicContact CD1-SD 3.96Å; L1957-M1964 HydrophobicContact CD2-CB 3.77Å; L1957-M1964 HydrophobicContact CD2-CG 3.72Å; L1957-M1964 HydrophobicContact CD2-SD 4.4Å; M1964-W1966 HydrophobicContact CE-CE3 3.91Å; M1964-W1966 HydrophobicContact CE-CH2 4.32Å; M1964-W1966 HydrophobicContact CE-CZ3 3.71Å; M1964-W1966 HydrophobicContact CG-CE3 4.03Å; M1964-W1966 HydrophobicContact CG-CZ3 4.36Å; M1964-V1981 WeakPolarHBondContact O-CA 3.03Å; M1964-A1982 PolarHBondContact N-O 3.03Å; M1964-A1982 PolarHBondContact O-N 3.28Å; M1964-M1984 HydrophobicContact CB-CG 4.41Å |
| 1965 | Y | 95.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.5 | 178.8 | -53.5 | -104.9 | 0 | 0 | 0 | 108.6 | A1956 H1958 L1963 Q1980 V1981 L1992 I2004 L2018 L2040 G2044 | A1956-Y1965 PolarHBondContact N-O 3.04Å; A1956-Y1965 PolarHBondContact O-N 2.81Å; H1958-Y1965 HydrophobicContact CB-CE2 3.81Å; L1963-Y1965 HydrophobicContact CB-CE2 3.71Å; L1963-Y1965 VanDerWaalsContact CD1-OH 3.29Å; L1963-Y1965 WeakPolarHBondContact CD1-OH 3.05Å; Y1965-Q1980 WeakPolarHBondContact CA-O 3.32Å; Y1965-V1981 HydrophobicContact CD1-CB 3.98Å; Y1965-V1981 HydrophobicContact CD1-CG2 3.75Å; Y1965-V1981 HydrophobicContact CE1-CB 4.12Å; Y1965-V1981 HydrophobicContact CE1-CG2 3.54Å; Y1965-V1981 HydrophobicContact CE2-CG2 4.43Å; Y1965-V1981 HydrophobicContact CG-CG2 4.31Å; Y1965-L1992 HydrophobicContact CD1-CD2 3.79Å; Y1965-L1992 HydrophobicContact CE1-CD2 3.78Å; Y1965-I2004 HydrophobicContact CD2-CD1 4.16Å; Y1965-I2004 HydrophobicContact CE2-CD1 3.78Å; Y1965-L2018 HydrophobicContact CD1-CD2 4.09Å; Y1965-L2040 HydrophobicContact CE1-CD1 4.25Å; Y1965-G2044 PolarHBondContact OH-O 3.07Å |
| 1966 | W | 94.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 151 | 174.6 | 64.8 | 107.2 | 0 | 0 | 0 | 111 | L1941 S1943 F1952 G1954 L1955 M1964 I1979 Q1980 A1982 E1989 | L1941-W1966 HydrophobicContact CD1-CZ2 4.45Å; L1941-W1966 HydrophobicContact CD2-CH2 3.75Å; L1941-W1966 HydrophobicContact CD2-CZ2 3.97Å; S1943-W1966 PolarHBondContact OG-NE1 2.94Å; F1952-W1966 HydrophobicContact CE2-CB 3.7Å; F1952-W1966 AromaticContact CE2-CD1 3.69Å; F1952-W1966 AromaticContact CE2-CG 3.93Å; F1952-W1966 HydrophobicContact CE2-CG 3.93Å; F1952-W1966 HydrophobicContact CZ-CB 3.66Å; F1952-W1966 HydrophobicContact CZ-CG 4.38Å; G1954-W1966 VanDerWaalsContact O-CA 3.31Å; G1954-W1966 WeakPolarHBondContact O-CA 3.45Å; L1955-W1966 HydrophobicContact CD1-CB 4.19Å; M1964-W1966 HydrophobicContact CE-CE3 3.91Å; M1964-W1966 HydrophobicContact CE-CH2 4.32Å; M1964-W1966 HydrophobicContact CE-CZ3 3.71Å; M1964-W1966 HydrophobicContact CG-CE3 4.03Å; M1964-W1966 HydrophobicContact CG-CZ3 4.36Å; W1966-I1979 WeakPolarHBondContact O-CA 3.05Å; W1966-Q1980 HydrophobicContact CD2-CB 3.9Å; W1966-Q1980 HydrophobicContact CE3-CB 4.24Å; W1966-Q1980 HydrophobicContact CH2-CB 3.94Å; W1966-Q1980 HydrophobicContact CZ2-CB 3.58Å; W1966-Q1980 HydrophobicContact CZ2-CG 4.26Å; W1966-Q1980 HydrophobicContact CZ3-CB 4.26Å; W1966-Q1980 PolarHBondContact N-O 3.09Å; W1966-Q1980 PolarHBondContact O-N 3.25Å; W1966-A1982 HydrophobicContact CH2-CB 3.66Å; W1966-A1982 HydrophobicContact CZ3-CB 3.73Å; W1966-E1989 HydrophobicContact CH2-CG 3.96Å; W1966-E1989 HydrophobicContact CZ2-CG 4.14Å |
| 1967 | A | 93.8 | Very high | 83.4 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110 | A1953 G1954 T1978 I1979 P1999 | A1953-A1967 HydrophobicContact CB-CB 4.12Å; A1953-A1967 PolarHBondContact N-O 3.37Å; G1954-A1967 PolarHBondContact O-N 3.27Å; A1967-T1978 WeakPolarHBondContact CA-O 3.04Å; A1967-I1979 HydrophobicContact CB-CG1 4.44Å; A1967-P1999 HydrophobicContact CB-CB 3.75Å; A1967-P1999 HydrophobicContact CB-CG 3.89Å |
| 1968 | I | 90.5 | Very high | 83.3 | Confident | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.2 | -178.9 | 42.1 | 159.1 | 0 | 0 | 0 | 110.4 | L1944 N1951 F1952 G1977 T1978 Q1980 | L1944-I1968 HydrophobicContact CD2-CG2 4.14Å; N1951-I1968 VanDerWaalsContact O-CA 3.31Å; N1951-I1968 WeakPolarHBondContact O-CA 3.44Å; F1952-I1968 HydrophobicContact CD2-CG2 4.3Å; I1968-G1977 CarbonylContact O-C 3.49Å; I1968-G1977 VanDerWaalsContact O-CA 3.31Å; I1968-G1977 WeakPolarHBondContact O-CA 3.32Å; I1968-T1978 WeakPolarHBondContact CG1-OG1 3.48Å; I1968-T1978 PolarHBondContact N-O 3.3Å; I1968-T1978 PolarHBondContact O-N 3.21Å; I1968-Q1980 HydrophobicContact CD1-CG 3.73Å; I1968-Q1980 HydrophobicContact CG1-CG 3.98Å |
| 1969 | Y | 89.4 | Confident | 83.5 | Confident | 35 Ų | 35 | 37 Ų | 37 | 14% | 0.137 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 159.2 | 174.9 | 65.1 | -74.2 | 0 | 0 | 0 | 111.7 | Q1950 N1951 A1953 P1975 E1998 P1999 | Q1950-Y1969 WeakPolarHBondContact CA-O 3.46Å; N1951-Y1969 HydrophobicContact CB-CD1 3.92Å; N1951-Y1969 HydrophobicContact CB-CD2 4.36Å; N1951-Y1969 HydrophobicContact CB-CE1 3.49Å; N1951-Y1969 VanDerWaalsContact CB-CE1 3.49Å; N1951-Y1969 HydrophobicContact CB-CE2 4.01Å; N1951-Y1969 HydrophobicContact CB-CG 4.36Å; N1951-Y1969 PolarHBondContact N-O 3.19Å; N1951-Y1969 WeakPolarHBondContact O-CD1 3.36Å; N1951-Y1969 PolarHBondContact O-N 2.78Å; N1951-Y1969 VanDerWaalsContact O-N 3.08Å; A1953-Y1969 HydrophobicContact CB-CD1 4.43Å; A1953-Y1969 HydrophobicContact CB-CE1 4.29Å; Y1969-P1975 HydrophobicContact CD2-CB 3.92Å; Y1969-E1998 HydrophobicContact CD2-CG 4.21Å; Y1969-E1998 HydrophobicContact CE1-CG 4.23Å; Y1969-E1998 HydrophobicContact CE2-CG 3.76Å; Y1969-E1998 WeakPolarHBondContact CE2-OE1 3.48Å; Y1969-E1998 VanDerWaalsContact CZ-OE1 3.29Å; Y1969-E1998 PolarHBondContact OH-OE1 2.91Å; Y1969-P1999 HydrophobicContact CD1-CG 4.08Å |
| 1970 | T | 79.1 | Confident | 83.7 | Confident | 43 Ų | 43 | 37 Ų | 37 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.9 | 168.4 | 49.8 | 0 | 0 | 0 | 0 | 110.4 | Q1950 P1975 | Q1950-T1970 HydrophobicContact CG-CG2 4.44Å; T1970-P1975 WeakPolarHBondContact O-CB 3.36Å |
| 1971 | D | 68 | Low | 84.2 | Confident | 111 Ų | 111 | 34.7 Ų | 34.7 | 59% | 0.594 | 18% | 0.176 | S | C | * | . | trans | -67.1 | 136.1 | 171.6 | -78.7 | -39.4 | 0 | 0 | 0 | 111.1 | N1951 | N1951-D1971 PolarHBondContact ND2-OD1 2.86Å; N1951-D1971 PolarHBondContact ND2-OD2 2.79Å | ||
| 1972 | G | 66.7 | Low | 84.4 | Confident | 51 Ų | 51 | 33.2 Ų | 33.2 | 53% | 0.526 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 166.6 | 170.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1974 P1975 | G1972-R1974 PolarHBondContact O-N 3.46Å; G1972-P1975 WeakPolarHBondContact O-CD 3.49Å |
| 1973 | W | 60.2 | Low | 84.5 | Confident | 136 Ų | 136 | 33.2 Ų | 33.2 | 52% | 0.515 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -67.2 | -20 | -178.8 | -169.2 | 84 | 0 | 0 | 0 | 113.7 | M2028 | W1973-M2028 HydrophobicContact CH2-CG 3.91Å; W1973-M2028 HydrophobicContact CZ2-CG 4.12Å; W1973-M2028 VanDerWaalsContact CZ2-O 3.29Å; W1973-M2028 WeakPolarHBondContact CZ2-O 3.39Å |
| 1974 | R | 63.2 | Low | 84.4 | Confident | 154 Ų | 154 | 33.1 Ų | 33.1 | 58% | 0.581 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -129.3 | 93.9 | 162.4 | -76.9 | 179.6 | 178.4 | 157.3 | 2.2 | 108 | G1972 N1976 | G1972-R1974 PolarHBondContact O-N 3.46Å; R1974-N1976 PolarHBondContact O-N 2.83Å |
| 1975 | P | 64.8 | Low | 84.1 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | trans | -68.8 | 114.8 | -179.8 | 25.2 | -30.4 | 0 | 0 | 0 | 109.6 | Y1969 T1970 G1972 G1977 G1997 E1998 | Y1969-P1975 HydrophobicContact CD2-CB 3.92Å; T1970-P1975 WeakPolarHBondContact O-CB 3.36Å; G1972-P1975 WeakPolarHBondContact O-CD 3.49Å; P1975-G1977 PolarHBondContact O-N 3.05Å; P1975-G1997 CarbonylContact O-C 3.58Å; P1975-G1997 WeakPolarHBondContact O-CA 3.37Å; P1975-E1998 HydrophobicContact CB-CB 4.25Å; P1975-E1998 HydrophobicContact CG-CB 3.74Å | ||
| 1976 | N | 74.1 | Confident | 83.7 | Confident | 100 Ų | 100 | 33.7 Ų | 33.7 | 54% | 0.535 | 17% | 0.173 | S | C | . | . | trans | -82 | 82.3 | 178.3 | -81 | -25.2 | 0 | 0 | 0 | 109.6 | R1974 | R1974-N1976 PolarHBondContact O-N 2.83Š| ||
| 1977 | G | 85.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -62.3 | 146.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1968 P1975 Q1994 L1995 G1997 | I1968-G1977 CarbonylContact O-C 3.49Å; I1968-G1977 VanDerWaalsContact O-CA 3.31Å; I1968-G1977 WeakPolarHBondContact O-CA 3.32Å; P1975-G1977 PolarHBondContact O-N 3.05Å; G1977-Q1994 PolarHBondContact O-NE2 2.79Å; G1977-L1995 WeakPolarHBondContact O-CA 3.5Å; G1977-L1995 VanDerWaalsContact O-CB 3.29Å; G1977-L1995 WeakPolarHBondContact O-CB 3.47Å; G1977-L1995 PolarHBondContact O-N 3.23Å; G1977-G1997 PolarHBondContact N-O 3.39Å | ||
| 1978 | T | 91.5 | Very high | 83 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.4 | 167.1 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | A1967 I1968 Q1980 Q1991 L1993 | A1967-T1978 WeakPolarHBondContact CA-O 3.04Å; I1968-T1978 WeakPolarHBondContact CG1-OG1 3.48Å; I1968-T1978 PolarHBondContact N-O 3.3Å; I1968-T1978 PolarHBondContact O-N 3.21Å; T1978-Q1980 PolarHBondContact OG1-NE2 3.08Å; T1978-Q1991 HydrophobicContact CG2-CG 4.47Å; T1978-L1993 WeakPolarHBondContact CA-O 3.04Å |
| 1979 | I | 94.9 | Very high | 83 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 120.1 | 166.6 | -58.4 | 178.3 | 0 | 0 | 0 | 107.2 | W1966 A1967 L1992 L1993 L1995 I2002 L2018 W2020 | W1966-I1979 WeakPolarHBondContact O-CA 3.05Å; A1967-I1979 HydrophobicContact CB-CG1 4.44Å; I1979-L1992 HydrophobicContact CG2-CD2 4.34Å; I1979-L1992 PolarHBondContact O-N 2.69Å; I1979-L1993 HydrophobicContact CB-CB 4.35Å; I1979-L1993 PolarHBondContact N-O 2.88Å; I1979-L1993 PolarHBondContact O-N 2.86Å; I1979-L1995 HydrophobicContact CD1-CD1 4.43Å; I1979-L1995 HydrophobicContact CD1-CD2 4Å; I1979-L1995 HydrophobicContact CG1-CD1 4.05Å; I1979-L1995 HydrophobicContact CG1-CD2 4.07Å; I1979-L1995 HydrophobicContact CG1-CG 4.23Å; I1979-I2002 HydrophobicContact CD1-CD1 4.09Å; I1979-I2002 HydrophobicContact CG1-CD1 4.43Å; I1979-I2002 HydrophobicContact CG2-CD1 4.04Å; I1979-L2018 HydrophobicContact CD1-CD2 4.49Å; I1979-L2018 HydrophobicContact CG2-CD2 4.28Å; I1979-W2020 HydrophobicContact CD1-CB 4.45Å; I1979-W2020 HydrophobicContact CD1-CD2 3.74Å; I1979-W2020 HydrophobicContact CD1-CE3 3.86Å; I1979-W2020 HydrophobicContact CD1-CG 4Å; I1979-W2020 HydrophobicContact CD1-CZ3 4.42Å |
| 1980 | Q | 94.3 | Very high | 83 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 153.5 | 176.6 | -57.2 | -61.3 | -32 | 0 | 0 | 109.9 | Y1965 W1966 I1968 T1978 E1990 Q1991 | Y1965-Q1980 WeakPolarHBondContact CA-O 3.32Å; W1966-Q1980 HydrophobicContact CD2-CB 3.9Å; W1966-Q1980 HydrophobicContact CE3-CB 4.24Å; W1966-Q1980 HydrophobicContact CH2-CB 3.94Å; W1966-Q1980 HydrophobicContact CZ2-CB 3.58Å; W1966-Q1980 HydrophobicContact CZ2-CG 4.26Å; W1966-Q1980 HydrophobicContact CZ3-CB 4.26Å; W1966-Q1980 PolarHBondContact N-O 3.09Å; W1966-Q1980 PolarHBondContact O-N 3.25Å; I1968-Q1980 HydrophobicContact CD1-CG 3.73Å; I1968-Q1980 HydrophobicContact CG1-CG 3.98Å; T1978-Q1980 PolarHBondContact OG1-NE2 3.08Å; Q1980-E1990 PolarHBondContact OE1-O 2.83Å; Q1980-Q1991 VanDerWaalsContact OE1-CA 3.25Å |
| 1981 | V | 95 | Very high | 83.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136.4 | 172.6 | 66.3 | 0 | 0 | 0 | 0 | 111 | L1963 M1964 Y1965 E1989 E1990 L1992 R2045 | L1963-V1981 HydrophobicContact CB-CG2 4.32Å; L1963-V1981 HydrophobicContact CD2-CG2 4.22Å; M1964-V1981 WeakPolarHBondContact O-CA 3.03Å; Y1965-V1981 HydrophobicContact CD1-CB 3.98Å; Y1965-V1981 HydrophobicContact CD1-CG2 3.75Å; Y1965-V1981 HydrophobicContact CE1-CB 4.12Å; Y1965-V1981 HydrophobicContact CE1-CG2 3.54Å; Y1965-V1981 HydrophobicContact CE2-CG2 4.43Å; Y1965-V1981 HydrophobicContact CG-CG2 4.31Å; V1981-E1989 WeakPolarHBondContact O-CA 3.19Å; V1981-E1990 HydrophobicContact CG1-CG 3.65Å; V1981-E1990 PolarHBondContact N-O 3.34Å; V1981-E1990 PolarHBondContact O-N 2.81Å; V1981-L1992 HydrophobicContact CB-CB 4.32Å; V1981-L1992 HydrophobicContact CG1-CB 3.94Å; V1981-L1992 HydrophobicContact CG1-CD1 4.45Å; V1981-R2045 HydrophobicContact CG1-CG 4.14Å; V1981-R2045 HydrophobicContact CG2-CG 4.41Å |
| 1982 | A | 93.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1963 M1964 W1966 E1989 | L1963-A1982 CarbonylContact C-O 3.58Å; L1963-A1982 WeakPolarHBondContact CA-O 3.24Å; M1964-A1982 PolarHBondContact N-O 3.03Å; M1964-A1982 PolarHBondContact O-N 3.28Å; W1966-A1982 HydrophobicContact CH2-CB 3.66Å; W1966-A1982 HydrophobicContact CZ3-CB 3.73Å; A1982-E1989 HydrophobicContact CB-CB 4.11Å |
| 1983 | S | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 160.5 | 162.1 | 69.9 | 0 | 0 | 0 | 0 | 111 | G1962 S1985 G1986 E1987 | G1962-S1983 CarbonylContact O-C 3.59Å; G1962-S1983 WeakPolarHBondContact O-CA 3.46Å; S1983-S1985 PolarHBondContact O-N 2.86Å; S1983-S1985 VanDerWaalsContact O-N 3.15Å; S1983-S1985 PolarHBondContact OG-N 2.99Å; S1983-S1985 PolarHBondContact OG-OG 2.04Å; S1983-G1986 PolarHBondContact O-N 3.13Å; S1983-G1986 PolarHBondContact OG-N 3.26Å; S1983-E1987 PolarHBondContact N-O 3.26Å; S1983-E1987 WeakPolarHBondContact OG-CA 3.1Å; S1983-E1987 WeakPolarHBondContact OG-CB 3.5Å; S1983-E1987 PolarHBondContact OG-N 3.35Å; S1983-E1987 PolarHBondContact OG-O 3.18Å; S1983-E1987 VanDerWaalsContact OG-O 3.1Å |
| 1984 | M | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.1 | 171.8 | -66.3 | 169 | 65.1 | 0 | 0 | 113.7 | D1908 F1915 L1957 G1962 M1964 P2133 | D1908-M1984 HydrophobicContact CB-CE 3.44Å; D1908-M1984 VanDerWaalsContact CB-CE 3.44Å; F1915-M1984 HydrophobicContact CE2-CE 3.62Å; F1915-M1984 HydrophobicContact CZ-CB 4.17Å; F1915-M1984 HydrophobicContact CZ-CE 3.62Å; F1915-M1984 HydrophobicContact CZ-CG 4.47Å; L1957-M1984 HydrophobicContact CD2-CG 4.28Å; G1962-M1984 PolarHBondContact O-N 2.99Å; M1964-M1984 HydrophobicContact CB-CG 4.41Å; M1984-P2133 WeakPolarHBondContact CB-O 3.04Å; M1984-P2133 HydrophobicContact CE-CG 4.25Å; M1984-P2133 HydrophobicContact SD-CB 4.24Å; M1984-P2133 HydrophobicContact SD-CG 3.95Å |
| 1985 | S | 87.2 | Confident | 88.6 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -6.6 | 169 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | S1983 E1987 N2134 | S1983-S1985 PolarHBondContact O-N 2.86Å; S1983-S1985 VanDerWaalsContact O-N 3.15Å; S1983-S1985 PolarHBondContact OG-N 2.99Å; S1983-S1985 PolarHBondContact OG-OG 2.04Å; S1985-E1987 WeakPolarHBondContact CB-OE2 3.41Å; S1985-E1987 PolarHBondContact OG-OE2 2.77Å; S1985-N2134 PolarHBondContact OG-OD1 3.36Å |
| 1986 | G | 86.6 | Confident | 89.4 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 76.6 | 23.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1983 | S1983-G1986 PolarHBondContact O-N 3.13Å; S1983-G1986 PolarHBondContact OG-N 3.26Å |
| 1987 | E | 86.3 | Confident | 89.8 | Confident | 85 Ų | 85 | 35 Ų | 35 | 40% | 0.397 | 18% | 0.179 | S | C | . | . | trans | -103.4 | 156.2 | 177.9 | -61.4 | 170.1 | 123.6 | 0 | 0 | 109.8 | S1983 S1985 E1989 T2141 | S1983-E1987 PolarHBondContact N-O 3.26Å; S1983-E1987 WeakPolarHBondContact OG-CA 3.1Å; S1983-E1987 WeakPolarHBondContact OG-CB 3.5Å; S1983-E1987 PolarHBondContact OG-N 3.35Å; S1983-E1987 PolarHBondContact OG-O 3.18Å; S1983-E1987 VanDerWaalsContact OG-O 3.1Å; S1985-E1987 WeakPolarHBondContact CB-OE2 3.41Å; S1985-E1987 PolarHBondContact OG-OE2 2.77Å; E1987-E1989 PolarHBondContact O-N 3.49Å; E1987-T2141 PolarHBondContact OE2-OG1 3.11Å | ||
| 1988 | N | 87.1 | Confident | 89.9 | Confident | 113 Ų | 113 | 37 Ų | 37 | 60% | 0.604 | 19% | 0.189 | S | C | * | . | S | Bend | trans | 52.5 | 50.5 | 178.5 | -54.3 | -30.7 | 0 | 0 | 0 | 113.4 | R2045 D2135 | N1988-R2045 VanDerWaalsContact O-CZ 3.24Å; N1988-R2045 PolarHBondContact O-NH1 3.01Å; N1988-R2045 PolarHBondContact O-NH2 3.1Å; N1988-D2135 WeakPolarHBondContact CB-OD2 3.25Å; N1988-D2135 PolarHBondContact ND2-OD2 2.96Å |
| 1989 | E | 90.9 | Very high | 89.8 | Confident | 49 Ų | 49 | 36.4 Ų | 36.4 | 23% | 0.229 | 19% | 0.185 | C | C | . | . | trans | -70.1 | 132.1 | 174.4 | 180 | 176.8 | 174.8 | 0 | 0 | 111.8 | L1941 H1942 S1943 W1966 V1981 A1982 E1987 | L1941-E1989 WeakPolarHBondContact CA-OE2 3.45Å; H1942-E1989 PolarHBondContact N-OE2 2.82Å; S1943-E1989 WeakPolarHBondContact CB-OE1 3.38Å; S1943-E1989 PolarHBondContact N-OE1 3.08Å; S1943-E1989 PolarHBondContact OG-OE1 3.15Å; W1966-E1989 HydrophobicContact CH2-CG 3.96Å; W1966-E1989 HydrophobicContact CZ2-CG 4.14Å; V1981-E1989 WeakPolarHBondContact O-CA 3.19Å; A1982-E1989 HydrophobicContact CB-CB 4.11Å; E1987-E1989 PolarHBondContact O-N 3.49Å | ||
| 1990 | E | 89.3 | Confident | 89.5 | Confident | 86 Ų | 86 | 37.1 Ų | 37.1 | 40% | 0.402 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.4 | 172.7 | 75 | -165.3 | 148.4 | 0 | 0 | 112 | Q1980 V1981 L1992 R2045 | Q1980-E1990 PolarHBondContact OE1-O 2.83Å; V1981-E1990 HydrophobicContact CG1-CG 3.65Å; V1981-E1990 PolarHBondContact N-O 3.34Å; V1981-E1990 PolarHBondContact O-N 2.81Å; E1990-L1992 PolarHBondContact O-N 3.3Å; E1990-R2045 VanDerWaalsContact CD-NH1 3.33Å; E1990-R2045 VanDerWaalsContact OE1-CB 3.3Å; E1990-R2045 WeakPolarHBondContact OE1-CB 3.03Å; E1990-R2045 WeakPolarHBondContact OE1-CD 3.41Å; E1990-R2045 VanDerWaalsContact OE1-CG 3.24Å; E1990-R2045 WeakPolarHBondContact OE1-CG 3.01Å; E1990-R2045 IonicContact OE1-CZ 3.88Å; E1990-R2045 IonicContact OE1-NE 3.23Å; E1990-R2045 IonicContact OE1-NH1 3.66Å; E1990-R2045 PolarHBondContact OE1-NH1 3.31Å |
| 1991 | Q | 91.9 | Very high | 89.3 | Confident | 98 Ų | 98 | 36.9 Ų | 36.9 | 46% | 0.458 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 113.6 | 173.9 | -179.5 | 178.2 | -13.9 | 0 | 0 | 110.2 | T1978 Q1980 | T1978-Q1991 HydrophobicContact CG2-CG 4.47Å; Q1980-Q1991 VanDerWaalsContact OE1-CA 3.25Å |
| 1992 | L | 92.9 | Very high | 89.2 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 12% | 0.12 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -41.6 | 177.7 | -178.7 | 67.2 | 0 | 0 | 0 | 112.2 | Y1965 I1979 V1981 E1990 L2018 L2040 R2045 I2047 | Y1965-L1992 HydrophobicContact CD1-CD2 3.79Å; Y1965-L1992 HydrophobicContact CE1-CD2 3.78Å; I1979-L1992 HydrophobicContact CG2-CD2 4.34Å; I1979-L1992 PolarHBondContact O-N 2.69Å; V1981-L1992 HydrophobicContact CB-CB 4.32Å; V1981-L1992 HydrophobicContact CG1-CB 3.94Å; V1981-L1992 HydrophobicContact CG1-CD1 4.45Å; E1990-L1992 PolarHBondContact O-N 3.3Å; L1992-L2018 HydrophobicContact CD2-CD2 3.9Å; L1992-L2040 HydrophobicContact CD2-CD2 4.12Å; L1992-R2045 WeakPolarHBondContact CD1-O 3.25Å; L1992-I2047 HydrophobicContact CD1-CD1 4.5Å; L1992-I2047 HydrophobicContact CD1-CG1 4.21Å; L1992-I2047 HydrophobicContact CG-CD1 4.07Å; L1992-I2047 HydrophobicContact CG-CG1 4.28Å |
| 1993 | L | 91 | Very high | 89.2 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 138 | -175.9 | -172.3 | 60.9 | 0 | 0 | 0 | 112.5 | T1978 I1979 L1995 W2020 I2047 | T1978-L1993 WeakPolarHBondContact CA-O 3.04Å; I1979-L1993 HydrophobicContact CB-CB 4.35Å; I1979-L1993 PolarHBondContact N-O 2.88Å; I1979-L1993 PolarHBondContact O-N 2.86Å; L1993-L1995 HydrophobicContact CD2-CD2 3.73Å; L1993-L1995 HydrophobicContact CG-CD2 3.98Å; L1993-W2020 HydrophobicContact CD2-CH2 3.3Å; L1993-W2020 HydrophobicContact CD2-CZ2 3.38Å; L1993-W2020 HydrophobicContact CD2-CZ3 4.13Å; L1993-I2047 HydrophobicContact CB-CD1 3.87Å; L1993-I2047 HydrophobicContact CD1-CD1 4Å; L1993-I2047 HydrophobicContact CD2-CD1 3.92Å; L1993-I2047 HydrophobicContact CG-CD1 4.14Å |
| 1994 | Q | 89.3 | Confident | 89.1 | Confident | 97 Ų | 97 | 39.2 Ų | 39.2 | 45% | 0.453 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125.1 | 163.9 | -174.3 | 62.6 | 55.2 | 0 | 0 | 109.3 | G1977 | G1977-Q1994 PolarHBondContact O-NE2 2.79Å |
| 1995 | L | 90.2 | Very high | 88.8 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -94.1 | 163.3 | 173.2 | -50.8 | -174.1 | 0 | 0 | 0 | 110.9 | G1977 I1979 L1993 P1999 W2020 | G1977-L1995 WeakPolarHBondContact O-CA 3.5Å; G1977-L1995 VanDerWaalsContact O-CB 3.29Å; G1977-L1995 WeakPolarHBondContact O-CB 3.47Å; G1977-L1995 PolarHBondContact O-N 3.23Å; I1979-L1995 HydrophobicContact CD1-CD1 4.43Å; I1979-L1995 HydrophobicContact CD1-CD2 4Å; I1979-L1995 HydrophobicContact CG1-CD1 4.05Å; I1979-L1995 HydrophobicContact CG1-CD2 4.07Å; I1979-L1995 HydrophobicContact CG1-CG 4.23Å; L1993-L1995 HydrophobicContact CD2-CD2 3.73Å; L1993-L1995 HydrophobicContact CG-CD2 3.98Å; L1995-P1999 HydrophobicContact CD1-CB 3.84Å; L1995-P1999 HydrophobicContact CD1-CG 4.1Å; L1995-W2020 HydrophobicContact CD2-CZ2 3.98Å | ||
| 1996 | T | 81.1 | Confident | 88.4 | Confident | 98 Ų | 98 | 41.9 Ų | 41.9 | 60% | 0.601 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -110.5 | 22.5 | -179.6 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | Q2022 | T1996-Q2022 PolarHBondContact OG1-NE2 3.39Š|
| 1997 | G | 83.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | -177.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1975 G1977 P1999 R2023 | P1975-G1997 CarbonylContact O-C 3.58Å; P1975-G1997 WeakPolarHBondContact O-CA 3.37Å; G1977-G1997 PolarHBondContact N-O 3.39Å; G1997-P1999 WeakPolarHBondContact O-CD 3.18Å; G1997-R2023 VanDerWaalsContact CA-O 3.31Å; G1997-R2023 WeakPolarHBondContact CA-O 3.15Å |
| 1998 | E | 87.2 | Confident | 86.3 | Confident | 44 Ų | 44 | 43.9 Ų | 43.9 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.2 | 179.9 | 172.7 | -178.4 | -137.5 | 0 | 0 | 110.2 | Y1969 P1975 L2000 Q2022 R2023 | Y1969-E1998 HydrophobicContact CD2-CG 4.21Å; Y1969-E1998 HydrophobicContact CE1-CG 4.23Å; Y1969-E1998 HydrophobicContact CE2-CG 3.76Å; Y1969-E1998 WeakPolarHBondContact CE2-OE1 3.48Å; Y1969-E1998 VanDerWaalsContact CZ-OE1 3.29Å; Y1969-E1998 PolarHBondContact OH-OE1 2.91Å; P1975-E1998 HydrophobicContact CB-CB 4.25Å; P1975-E1998 HydrophobicContact CG-CB 3.74Å; E1998-L2000 HydrophobicContact CG-CD2 4.09Å; E1998-Q2022 CarbonylContact O-C 3.28Å; E1998-Q2022 WeakPolarHBondContact O-CA 3.14Å; E1998-R2023 HydrophobicContact CB-CB 4.36Å; E1998-R2023 PolarHBondContact N-O 2.67Å; E1998-R2023 PolarHBondContact O-N 3.15Å |
| 1999 | P | 90.5 | Very high | 84.6 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 141.5 | 171.1 | 25.1 | -26.9 | 0 | 0 | 0 | 110.9 | A1953 A1967 Y1969 L1995 G1997 | A1953-P1999 HydrophobicContact CB-CB 3.75Å; A1953-P1999 HydrophobicContact CB-CG 3.65Å; A1953-P1999 WeakPolarHBondContact CB-O 3.32Å; A1967-P1999 HydrophobicContact CB-CB 3.75Å; A1967-P1999 HydrophobicContact CB-CG 3.89Å; Y1969-P1999 HydrophobicContact CD1-CG 4.08Å; L1995-P1999 HydrophobicContact CD1-CB 3.84Å; L1995-P1999 HydrophobicContact CD1-CG 4.1Å; G1997-P1999 WeakPolarHBondContact O-CD 3.18Å |
| 2000 | L | 88.6 | Confident | 82.4 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -37.4 | -177.7 | -59.3 | 178.9 | 0 | 0 | 0 | 113 | E1998 M2021 R2023 T2033 | E1998-L2000 HydrophobicContact CG-CD2 4.09Å; L2000-M2021 HydrophobicContact CB-CB 4.34Å; L2000-M2021 PolarHBondContact N-O 2.04Å; L2000-R2023 HydrophobicContact CD1-CB 4.33Å; L2000-T2033 HydrophobicContact CD1-CG2 3.85Å |
| 2001 | A | 89.8 | Confident | 80.2 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 153.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | W2020 M2021 M2066 | A2001-W2020 VanDerWaalsContact O-CA 3.26Å; A2001-W2020 WeakPolarHBondContact O-CA 3.49Å; A2001-W2020 WeakPolarHBondContact O-CB 3.44Å; A2001-M2021 HydrophobicContact CB-SD 4.13Å; A2001-M2021 PolarHBondContact O-N 2.83Å; A2001-M2066 HydrophobicContact CB-CB 4.44Å; A2001-M2066 HydrophobicContact CB-CE 3.92Å |
| 2002 | I | 93.6 | Very high | 78.3 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.7 | 177.8 | -166.5 | 169.2 | 0 | 0 | 0 | 109.5 | G1954 A1956 I1979 L2018 C2019 W2020 | G1954-I2002 VanDerWaalsContact C-CG2 3.43Å; A1956-I2002 HydrophobicContact CB-CG2 4.23Å; I1979-I2002 HydrophobicContact CD1-CD1 4.09Å; I1979-I2002 HydrophobicContact CG1-CD1 4.43Å; I1979-I2002 HydrophobicContact CG2-CD1 4.04Å; I2002-L2018 HydrophobicContact CD1-CD1 3.98Å; I2002-L2018 HydrophobicContact CD1-CD2 4.45Å; I2002-L2018 HydrophobicContact CD1-CG 4.44Å; I2002-L2018 HydrophobicContact CG1-CD1 3.9Å; I2002-C2019 WeakPolarHBondContact CA-O 3.34Å; I2002-W2020 HydrophobicContact CB-CB 4.41Å; I2002-W2020 HydrophobicContact CG1-CB 4.23Å |
| 2003 | S | 92.3 | Very high | 77 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 148.1 | 177.3 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | C2019 Q2068 | S2003-C2019 PolarHBondContact N-O 3.18Å; S2003-C2019 PolarHBondContact O-N 3.06Å; S2003-C2019 VanDerWaalsContact O-O 3.06Å; S2003-Q2068 PolarHBondContact O-NE2 3.46Å; S2003-Q2068 PolarHBondContact OG-N 2.04Å |
| 2004 | I | 90.1 | Very high | 76.3 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 11% | 0.108 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.2 | -177.1 | -165.6 | 172.4 | 0 | 0 | 0 | 111.1 | A1956 L1957 H1958 Y1965 P2006 L2018 L2040 | A1956-I2004 HydrophobicContact CB-CB 4.3Å; A1956-I2004 HydrophobicContact CB-CG2 3.97Å; L1957-I2004 WeakPolarHBondContact O-CG2 3.34Å; H1958-I2004 HydrophobicContact CB-CD1 4.2Å; Y1965-I2004 HydrophobicContact CD2-CD1 4.16Å; Y1965-I2004 HydrophobicContact CE2-CD1 3.78Å; I2004-P2006 WeakPolarHBondContact O-CD 3.03Å; I2004-L2018 HydrophobicContact CB-CD1 3.88Å; I2004-L2018 HydrophobicContact CD1-CD1 4.18Å; I2004-L2018 HydrophobicContact CG1-CD1 4.04Å; I2004-L2040 HydrophobicContact CD1-CD1 3.97Å |
| 2005 | S | 86 | Confident | 75.9 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 16% | 0.161 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 99.3 | 165.5 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | G2016 K2017 Q2068 | S2005-G2016 CarbonylContact O-C 3.55Å; S2005-G2016 WeakPolarHBondContact O-CA 3.44Å; S2005-K2017 PolarHBondContact N-O 3.02Å; S2005-K2017 PolarHBondContact O-N 3.07Å; S2005-Q2068 VanDerWaalsContact CB-OE1 3.24Å |
| 2006 | P | 79 | Confident | 75.6 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 25% | 0.253 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 142.2 | 171.1 | -26.7 | 36.4 | 0 | 0 | 0 | 111.3 | I2004 | I2004-P2006 WeakPolarHBondContact O-CD 3.03Å |
| 2007 | A | 68.9 | Low | 75.9 | Confident | 44 Ų | 44 | 45.1 Ų | 45.1 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 139.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S2014 A2015 | A2007-S2014 WeakPolarHBondContact CB-O 3.02Å; A2007-A2015 PolarHBondContact N-O 2.81Å |
| 2008 | T | 60.6 | Low | 76.3 | Confident | 89 Ų | 89 | 45 Ų | 45 | 55% | 0.546 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 151.7 | 163.3 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | V2010 | T2008-V2010 PolarHBondContact O-N 3.32Š|
| 2009 | P | 50.9 | Low | 76.6 | Confident | 105 Ų | 105 | 43 Ų | 43 | 68% | 0.682 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -68.5 | 18.2 | -172.2 | -22.9 | 35.6 | 0 | 0 | 0 | 116.8 | N2011 | P2009-N2011 PolarHBondContact O-N 3Å; P2009-N2011 VanDerWaalsContact O-N 3.09Å |
| 2010 | V | 43.8 | Very low | 76.8 | Confident | 107 Ų | 107 | 43 Ų | 43 | 65% | 0.648 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -87 | 79.3 | -169.1 | -169.6 | 0 | 0 | 0 | 0 | 110.8 | T2008 G2012 | T2008-V2010 PolarHBondContact O-N 3.32Å; V2010-G2012 PolarHBondContact O-N 2.8Å |
| 2011 | N | 43.4 | Very low | 77 | Confident | 163 Ų | 163 | 42.2 Ų | 42.2 | 87% | 0.872 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 57.1 | 0.7 | 166.4 | -63.4 | -30.8 | 0 | 0 | 0 | 118.7 | P2009 | P2009-N2011 PolarHBondContact O-N 3Å; P2009-N2011 VanDerWaalsContact O-N 3.09Å |
| 2012 | G | 53.1 | Low | 77 | Confident | 46 Ų | 46 | 41.9 Ų | 41.9 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | trans | -73.7 | 139.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V2010 S2014 | V2010-G2012 PolarHBondContact O-N 2.8Å; G2012-S2014 PolarHBondContact O-N 2.68Å | ||
| 2013 | N | 65.3 | Low | 76.8 | Confident | 108 Ų | 108 | 44.2 Ų | 44.2 | 58% | 0.578 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -73.6 | 35.7 | 171.8 | -72.9 | -26.7 | 0 | 0 | 0 | 113.3 | Q2042 | N2013-Q2042 HydrophobicContact CB-CG 4.2Å; N2013-Q2042 PolarHBondContact O-N 2.77Å; N2013-Q2042 PolarHBondContact OD1-NE2 2.86Å |
| 2014 | S | 75.5 | Confident | 76.3 | Confident | 16 Ų | 16 | 44 Ų | 44 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | trans | -150.1 | 133.3 | -161.6 | -174.9 | 0 | 0 | 0 | 0 | 112 | A2007 G2012 G2016 R2039 L2040 | A2007-S2014 WeakPolarHBondContact CB-O 3.02Å; G2012-S2014 PolarHBondContact O-N 2.68Å; S2014-G2016 VanDerWaalsContact C-N 3.33Å; S2014-R2039 WeakPolarHBondContact OG-CG 3.45Å; S2014-L2040 WeakPolarHBondContact CA-O 3.23Å; S2014-L2040 VanDerWaalsContact CB-O 3.3Å; S2014-L2040 WeakPolarHBondContact CB-O 3.49Å; S2014-L2040 PolarHBondContact OG-O 2.86Å | ||
| 2015 | A | 81.7 | Confident | 75.3 | Confident | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -77.7 | -14.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1958 L1961 A2007 L2040 G2041 | H1958-A2015 PolarHBondContact NE2-O 3.49Å; L1961-A2015 HydrophobicContact CD1-CB 3.6Å; A2007-A2015 PolarHBondContact N-O 2.81Å; A2015-L2040 HydrophobicContact CB-CB 4.01Å; A2015-L2040 PolarHBondContact N-O 3.12Å; A2015-G2041 WeakPolarHBondContact CB-O 3.32Å; A2015-G2041 PolarHBondContact N-O 3.41Å |
| 2016 | G | 83.3 | Confident | 74.2 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.2 | -170.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S2005 S2014 L2040 | S2005-G2016 CarbonylContact O-C 3.55Å; S2005-G2016 WeakPolarHBondContact O-CA 3.44Å; S2014-G2016 VanDerWaalsContact C-N 3.33Å; G2016-L2040 PolarHBondContact O-N 3.35Å |
| 2017 | K | 86.8 | Confident | 73.1 | Confident | 67 Ų | 67 | 50.4 Ų | 50.4 | 29% | 0.291 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 115.6 | 175.2 | -166.2 | 171.4 | -173.4 | 163.6 | 0 | 109.6 | S2005 C2037 A2038 E2051 Q2068 | S2005-K2017 PolarHBondContact N-O 3.02Å; S2005-K2017 PolarHBondContact O-N 3.07Å; K2017-C2037 HydrophobicContact CD-CB 4.25Å; K2017-C2037 HydrophobicContact CG-CB 4.09Å; K2017-A2038 WeakPolarHBondContact CA-O 3.18Å; K2017-E2051 IonicContact NZ-OE1 3.79Å; K2017-E2051 PolarHBondContact NZ-OE1 2.96Å; K2017-Q2068 PolarHBondContact O-NE2 3.12Å |
| 2018 | L | 91.8 | Very high | 72.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123 | 172.8 | -176.1 | 66.4 | 0 | 0 | 0 | 108 | Y1965 I1979 L1992 I2002 I2004 C2037 A2038 L2040 | Y1965-L2018 HydrophobicContact CD1-CD2 4.09Å; I1979-L2018 HydrophobicContact CD1-CD2 4.49Å; I1979-L2018 HydrophobicContact CG2-CD2 4.28Å; L1992-L2018 HydrophobicContact CD2-CD2 3.9Å; I2002-L2018 HydrophobicContact CD1-CD1 3.98Å; I2002-L2018 HydrophobicContact CD1-CD2 4.45Å; I2002-L2018 HydrophobicContact CD1-CG 4.44Å; I2002-L2018 HydrophobicContact CG1-CD1 3.9Å; I2004-L2018 HydrophobicContact CB-CD1 3.88Å; I2004-L2018 HydrophobicContact CD1-CD1 4.18Å; I2004-L2018 HydrophobicContact CG1-CD1 4.04Å; L2018-C2037 CarbonylContact O-C 3.57Å; L2018-C2037 VanDerWaalsContact O-CA 3.28Å; L2018-C2037 WeakPolarHBondContact O-CA 3.47Å; L2018-A2038 PolarHBondContact N-O 2.74Å; L2018-A2038 PolarHBondContact O-N 3.35Å; L2018-L2040 HydrophobicContact CB-CD1 4.27Å; L2018-L2040 HydrophobicContact CB-CD2 4.14Å; L2018-L2040 HydrophobicContact CB-CG 4.2Å; L2018-L2040 HydrophobicContact CD2-CD2 4.36Å |
| 2019 | C | 93.9 | Very high | 71.6 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.3 | 178.7 | -66.6 | 0 | 0 | 0 | 0 | 110.3 | I2002 S2003 H2036 C2037 L2073 | I2002-C2019 WeakPolarHBondContact CA-O 3.34Å; S2003-C2019 PolarHBondContact N-O 3.18Å; S2003-C2019 PolarHBondContact O-N 3.06Å; S2003-C2019 VanDerWaalsContact O-O 3.06Å; C2019-H2036 WeakPolarHBondContact CA-O 3.49Å; C2019-C2037 HydrophobicContact CB-CB 4.13Å; C2019-C2037 WeakPolarHBondContact CB-SG 3.38Å; C2019-C2037 WeakPolarHBondContact SG-CB 3.19Å; C2019-C2037 CovalentContact SG-SG 2.04Å; C2019-C2037 PolarHBondContact SG-SG 3.12Å; C2019-L2073 HydrophobicContact CB-CD1 4.15Å |
| 2020 | W | 93.8 | Very high | 71.8 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.4 | 175.9 | 67.7 | 97.1 | 0 | 0 | 0 | 110.9 | I1979 L1993 L1995 A2001 I2002 H2036 A2038 N2050 | I1979-W2020 HydrophobicContact CD1-CB 4.45Å; I1979-W2020 HydrophobicContact CD1-CD2 3.74Å; I1979-W2020 HydrophobicContact CD1-CE3 3.86Å; I1979-W2020 HydrophobicContact CD1-CG 4Å; I1979-W2020 HydrophobicContact CD1-CZ3 4.42Å; L1993-W2020 HydrophobicContact CD2-CH2 3.3Å; L1993-W2020 HydrophobicContact CD2-CZ2 3.38Å; L1993-W2020 HydrophobicContact CD2-CZ3 4.13Å; L1995-W2020 HydrophobicContact CD2-CZ2 3.98Å; A2001-W2020 VanDerWaalsContact O-CA 3.26Å; A2001-W2020 WeakPolarHBondContact O-CA 3.49Å; A2001-W2020 WeakPolarHBondContact O-CB 3.44Å; I2002-W2020 HydrophobicContact CB-CB 4.41Å; I2002-W2020 HydrophobicContact CG1-CB 4.23Å; W2020-H2036 HydrophobicContact CD2-CB 4.11Å; W2020-H2036 HydrophobicContact CH2-CB 3.96Å; W2020-H2036 HydrophobicContact CZ2-CB 3.42Å; W2020-H2036 VanDerWaalsContact CZ2-CB 3.42Å; W2020-H2036 HydrophobicContact CZ3-CB 4.5Å; W2020-H2036 PolarHBondContact N-O 3.43Å; W2020-H2036 PolarHBondContact O-N 2.91Å; W2020-H2036 VanDerWaalsContact O-O 3.13Å; W2020-A2038 HydrophobicContact CH2-CB 3.99Å; W2020-A2038 HydrophobicContact CZ3-CB 3.7Å; W2020-N2050 WeakPolarHBondContact CH2-OD1 3.1Å |
| 2021 | M | 92.7 | Very high | 73.1 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.8 | 171.8 | -65.4 | 157 | 58.4 | 0 | 0 | 107.7 | L2000 A2001 E2034 L2035 P2062 S2063 M2066 | L2000-M2021 HydrophobicContact CB-CB 4.34Å; L2000-M2021 PolarHBondContact N-O 2.04Å; A2001-M2021 HydrophobicContact CB-SD 4.13Å; A2001-M2021 PolarHBondContact O-N 2.83Å; M2021-E2034 WeakPolarHBondContact CA-O 3.34Å; M2021-L2035 HydrophobicContact CG-CD1 4.07Å; M2021-P2062 HydrophobicContact CE-CB 3.58Å; M2021-P2062 HydrophobicContact CE-CG 3.34Å; M2021-S2063 WeakPolarHBondContact CE-O 3.44Å; M2021-M2066 HydrophobicContact CG-CE 4.26Å; M2021-M2066 HydrophobicContact CG-SD 3.75Å; M2021-M2066 HydrophobicContact SD-CB 3.82Å; M2021-M2066 HydrophobicContact SD-CE 4.08Å; M2021-M2066 HydrophobicContact SD-CG 4.09Å; M2021-M2066 HydrophobicContact SD-SD 3.45Å |
| 2022 | Q | 90.9 | Very high | 74.9 | Confident | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145.7 | 175.2 | 58.2 | 174.6 | 72.4 | 0 | 0 | 111.5 | T1996 E1998 S2024 T2033 E2034 | T1996-Q2022 PolarHBondContact OG1-NE2 3.39Å; E1998-Q2022 CarbonylContact O-C 3.28Å; E1998-Q2022 WeakPolarHBondContact O-CA 3.14Å; Q2022-S2024 PolarHBondContact NE2-OG 2.7Å; Q2022-T2033 CarbonylContact O-C 3.5Å; Q2022-T2033 WeakPolarHBondContact O-CA 3.01Å; Q2022-E2034 HydrophobicContact CG-CB 4.4Å; Q2022-E2034 PolarHBondContact N-O 2.91Å; Q2022-E2034 PolarHBondContact O-N 2.95Å |
| 2023 | R | 88.1 | Confident | 76.5 | Confident | 66 Ų | 66 | 41 Ų | 41 | 25% | 0.249 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 100.2 | 171.6 | -172.6 | 171.6 | -82.6 | 153.7 | -15.7 | 109 | G1997 E1998 L2000 L2031 V2032 E2061 | G1997-R2023 VanDerWaalsContact CA-O 3.31Å; G1997-R2023 WeakPolarHBondContact CA-O 3.15Å; E1998-R2023 HydrophobicContact CB-CB 4.36Å; E1998-R2023 PolarHBondContact N-O 2.67Å; E1998-R2023 PolarHBondContact O-N 3.15Å; L2000-R2023 HydrophobicContact CD1-CB 4.33Å; R2023-L2031 HydrophobicContact CG-CB 4.13Å; R2023-L2031 HydrophobicContact CG-CD2 4.4Å; R2023-V2032 CarbonylContact C-O 3.46Å; R2023-V2032 WeakPolarHBondContact CA-O 3.31Å; R2023-E2061 IonicContact CZ-OE1 3.82Å; R2023-E2061 IonicContact NE-OE1 3.22Å; R2023-E2061 VanDerWaalsContact NH2-CD 3.31Å; R2023-E2061 IonicContact NH2-OE1 2.68Å; R2023-E2061 PolarHBondContact NH2-OE1 2.77Å; R2023-E2061 IonicContact NH2-OE2 3.64Å; R2023-E2061 PolarHBondContact NH2-OE2 3.5Å; R2023-E2061 VanDerWaalsContact NH2-OE2 3.09Å |
| 2024 | S | 82 | Confident | 77.7 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 144.7 | -177.1 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | Q2022 K2026 V2032 E2034 | Q2022-S2024 PolarHBondContact NE2-OG 2.7Å; S2024-K2026 PolarHBondContact O-N 2.89Å; S2024-V2032 PolarHBondContact N-O 2.04Å; S2024-V2032 PolarHBondContact O-N 2.77Å; S2024-E2034 WeakPolarHBondContact CB-OE2 3.17Å; S2024-E2034 PolarHBondContact OG-OE2 2.79Å |
| 2025 | S | 69.6 | Low | 78.4 | Confident | 43 Ų | 43 | 36 Ų | 36 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 104.1 | 168.2 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | G2027 G2030 | S2025-G2027 PolarHBondContact O-N 2.73Å; S2025-G2030 CarbonylContact C-O 3.44Å |
| 2026 | K | 62.2 | Low | 78.8 | Confident | 121 Ų | 121 | 36.6 Ų | 36.6 | 53% | 0.526 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 89.4 | 175.9 | -170.7 | 169.2 | 178.9 | 174 | 0 | 109.3 | S2024 G2030 V2032 E2055 | S2024-K2026 PolarHBondContact O-N 2.89Å; K2026-G2030 PolarHBondContact N-O 3.49Å; K2026-V2032 HydrophobicContact CB-CB 4.45Å; K2026-V2032 HydrophobicContact CB-CG1 3.75Å; K2026-V2032 HydrophobicContact CD-CG1 4.05Å; K2026-E2055 IonicContact NZ-OE1 3.53Å; K2026-E2055 PolarHBondContact NZ-OE1 3.35Å; K2026-E2055 IonicContact NZ-OE2 2.69Å; K2026-E2055 PolarHBondContact NZ-OE2 2.96Å |
| 2027 | G | 57.2 | Low | 79.2 | Confident | 54 Ų | 54 | 36.4 Ų | 36.4 | 56% | 0.557 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -152.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S2025 | S2025-G2027 PolarHBondContact O-N 2.73Š|
| 2028 | M | 49.5 | Very low | 79.1 | Confident | 125 Ų | 125 | 33.2 Ų | 33.2 | 62% | 0.616 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -19.4 | -175.1 | -160.6 | -179.3 | -68 | 0 | 0 | 113.9 | W1973 | W1973-M2028 HydrophobicContact CH2-CG 3.91Å; W1973-M2028 HydrophobicContact CZ2-CG 4.12Å; W1973-M2028 VanDerWaalsContact CZ2-O 3.29Å; W1973-M2028 WeakPolarHBondContact CZ2-O 3.39Å |
| 2029 | F | 47.1 | Very low | 78.8 | Confident | 91 Ų | 91 | 36.2 Ų | 36.2 | 40% | 0.399 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | -31.7 | -174.9 | -59 | -72.2 | 0 | 0 | 0 | 114 | L2031 | F2029-L2031 PolarHBondContact O-N 3.05Š|
| 2030 | G | 57.1 | Low | 78.5 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 113.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | S2025 K2026 | S2025-G2030 CarbonylContact C-O 3.44Å; K2026-G2030 PolarHBondContact N-O 3.49Å |
| 2031 | L | 70 | Confident | 78 | Confident | 96 Ų | 96 | 36.1 Ų | 36.1 | 50% | 0.503 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.7 | 155.1 | -67.4 | 174.8 | 0 | 0 | 0 | 108.5 | R2023 F2029 | R2023-L2031 HydrophobicContact CG-CB 4.13Å; R2023-L2031 HydrophobicContact CG-CD2 4.4Å; F2029-L2031 PolarHBondContact O-N 3.05Å |
| 2032 | V | 80.4 | Confident | 77.4 | Confident | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.2 | 176.6 | 70.6 | 0 | 0 | 0 | 0 | 110.1 | R2023 S2024 K2026 E2034 E2055 F2056 | R2023-V2032 CarbonylContact C-O 3.46Å; R2023-V2032 WeakPolarHBondContact CA-O 3.31Å; S2024-V2032 PolarHBondContact N-O 2.04Å; S2024-V2032 PolarHBondContact O-N 2.77Å; K2026-V2032 HydrophobicContact CB-CB 4.45Å; K2026-V2032 HydrophobicContact CB-CG1 3.75Å; K2026-V2032 HydrophobicContact CD-CG1 4.05Å; V2032-E2034 HydrophobicContact CG1-CG 4.03Å; V2032-E2055 HydrophobicContact CG2-CG 3.43Å; V2032-E2055 VanDerWaalsContact CG2-CG 3.43Å; V2032-F2056 WeakPolarHBondContact CG2-O 3.48Å |
| 2033 | T | 88.2 | Confident | 77.1 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127.8 | 176.1 | -57 | 0 | 0 | 0 | 0 | 108.3 | L2000 Q2022 F2056 E2061 P2062 | L2000-T2033 HydrophobicContact CD1-CG2 3.85Å; Q2022-T2033 CarbonylContact O-C 3.5Å; Q2022-T2033 WeakPolarHBondContact O-CA 3.01Å; T2033-F2056 HydrophobicContact CG2-CD2 4Å; T2033-F2056 WeakPolarHBondContact O-CB 3.01Å; T2033-F2056 WeakPolarHBondContact O-CD2 3.02Å; T2033-F2056 PolarHBondContact O-N 3.39Å; T2033-E2061 PolarHBondContact OG1-OE1 3.25Å; T2033-E2061 VanDerWaalsContact OG1-OE1 3.05Å; T2033-P2062 HydrophobicContact CG2-CG 3.84Å |
| 2034 | E | 89.2 | Confident | 77 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.5 | -175.8 | -58.4 | -177.6 | 130.8 | 0 | 0 | 110.1 | M2021 Q2022 S2024 V2032 H2036 K2052 E2055 | M2021-E2034 WeakPolarHBondContact CA-O 3.34Å; Q2022-E2034 HydrophobicContact CG-CB 4.4Å; Q2022-E2034 PolarHBondContact N-O 2.91Å; Q2022-E2034 PolarHBondContact O-N 2.95Å; S2024-E2034 WeakPolarHBondContact CB-OE2 3.17Å; S2024-E2034 PolarHBondContact OG-OE2 2.79Å; V2032-E2034 HydrophobicContact CG1-CG 4.03Å; E2034-H2036 WeakPolarHBondContact CB-NE2 3.36Å; E2034-H2036 IonicContact OE2-CD2 2.7Å; E2034-H2036 IonicContact OE2-CE1 3.96Å; E2034-H2036 IonicContact OE2-NE2 3.49Å; E2034-H2036 PolarHBondContact OE2-NE2 2.91Å; E2034-K2052 HydrophobicContact CB-CD 3.92Å; E2034-K2052 HydrophobicContact CG-CD 3.82Å; E2034-K2052 WeakPolarHBondContact OE1-CD 3.34Å; E2034-K2052 WeakPolarHBondContact OE1-CE 3.05Å; E2034-K2052 IonicContact OE1-NZ 2.74Å; E2034-K2052 PolarHBondContact OE1-NZ 3.04Å; E2034-E2055 HydrophobicContact CG-CG 4.38Å |
| 2035 | L | 90.8 | Very high | 77.4 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119.1 | 165.9 | 173.2 | 67.2 | 0 | 0 | 0 | 108.7 | M2021 I2053 R2054 F2056 M2066 L2073 | M2021-L2035 HydrophobicContact CG-CD1 4.07Å; L2035-I2053 HydrophobicContact CD2-CB 3.95Å; L2035-I2053 HydrophobicContact CD2-CG2 3.68Å; L2035-I2053 HydrophobicContact CG-CB 4.01Å; L2035-I2053 HydrophobicContact CG-CG2 4.3Å; L2035-I2053 PolarHBondContact O-N 2.88Å; L2035-R2054 HydrophobicContact CB-CB 4.24Å; L2035-R2054 HydrophobicContact CD2-CB 4.39Å; L2035-R2054 PolarHBondContact N-O 3.05Å; L2035-R2054 PolarHBondContact O-N 3.43Å; L2035-F2056 HydrophobicContact CB-CE2 3.77Å; L2035-F2056 HydrophobicContact CB-CZ 4.17Å; L2035-M2066 HydrophobicContact CD1-SD 4.07Å; L2035-L2073 HydrophobicContact CD1-CD2 3.56Å; L2035-L2073 HydrophobicContact CD2-CD2 3.32Å; L2035-L2073 HydrophobicContact CG-CD2 4.02Å |
| 2036 | H | 91 | Very high | 78.1 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 151.1 | 173.6 | -67.3 | -107.6 | 0 | 0 | 0 | 110 | C2019 W2020 E2034 E2051 | C2019-H2036 WeakPolarHBondContact CA-O 3.49Å; W2020-H2036 HydrophobicContact CD2-CB 4.11Å; W2020-H2036 HydrophobicContact CH2-CB 3.96Å; W2020-H2036 HydrophobicContact CZ2-CB 3.42Å; W2020-H2036 VanDerWaalsContact CZ2-CB 3.42Å; W2020-H2036 HydrophobicContact CZ3-CB 4.5Å; W2020-H2036 PolarHBondContact N-O 3.43Å; W2020-H2036 PolarHBondContact O-N 2.91Å; W2020-H2036 VanDerWaalsContact O-O 3.13Å; E2034-H2036 WeakPolarHBondContact CB-NE2 3.36Å; E2034-H2036 IonicContact OE2-CD2 2.7Å; E2034-H2036 IonicContact OE2-CE1 3.96Å; E2034-H2036 IonicContact OE2-NE2 3.49Å; E2034-H2036 PolarHBondContact OE2-NE2 2.91Å; H2036-E2051 WeakPolarHBondContact CA-O 3.16Å |
| 2037 | C | 90.2 | Very high | 79.2 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 139.2 | 169.4 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | K2017 L2018 C2019 N2050 E2051 I2053 | K2017-C2037 HydrophobicContact CD-CB 4.25Å; K2017-C2037 HydrophobicContact CG-CB 4.09Å; L2018-C2037 CarbonylContact O-C 3.57Å; L2018-C2037 VanDerWaalsContact O-CA 3.28Å; L2018-C2037 WeakPolarHBondContact O-CA 3.47Å; C2019-C2037 HydrophobicContact CB-CB 4.13Å; C2019-C2037 WeakPolarHBondContact CB-SG 3.38Å; C2019-C2037 WeakPolarHBondContact SG-CB 3.19Å; C2019-C2037 CovalentContact SG-SG 2.04Å; C2019-C2037 PolarHBondContact SG-SG 3.12Å; C2037-N2050 PolarHBondContact O-OD1 2.81Å; C2037-E2051 PolarHBondContact N-O 3.03Å; C2037-E2051 WeakPolarHBondContact O-CG 2.91Å; C2037-E2051 PolarHBondContact O-N 2.66Å; C2037-I2053 HydrophobicContact CB-CD1 4.27Å; C2037-I2053 HydrophobicContact CB-CG1 3.88Å |
| 2038 | A | 86.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K2017 L2018 W2020 I2047 T2049 | K2017-A2038 WeakPolarHBondContact CA-O 3.18Å; L2018-A2038 PolarHBondContact N-O 2.74Å; L2018-A2038 PolarHBondContact O-N 3.35Å; W2020-A2038 HydrophobicContact CH2-CB 3.99Å; W2020-A2038 HydrophobicContact CZ3-CB 3.7Å; A2038-I2047 HydrophobicContact CB-CD1 3.91Å; A2038-I2047 HydrophobicContact CB-CG1 3.99Å; A2038-I2047 HydrophobicContact CB-CG2 3.89Å; A2038-T2049 CarbonylContact C-O 3.52Å; A2038-T2049 VanDerWaalsContact CA-O 3.23Å; A2038-T2049 WeakPolarHBondContact CA-O 3.36Å |
| 2039 | R | 85 | Confident | 81.3 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 24% | 0.242 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113.7 | 164.3 | -172.5 | -177.3 | -167.6 | 156.6 | 14.5 | 108.1 | H1764 S1765 S2014 L2048 T2049 | H1764-R2039 PolarHBondContact O-NH1 2.83Å; S1765-R2039 VanDerWaalsContact O-CZ 3.32Å; S1765-R2039 PolarHBondContact O-NH1 3.47Å; S1765-R2039 PolarHBondContact O-NH2 2.04Å; S2014-R2039 WeakPolarHBondContact OG-CG 3.45Å; R2039-L2048 HydrophobicContact CB-CB 4.47Å; R2039-L2048 HydrophobicContact CG-CB 4.47Å; R2039-L2048 HydrophobicContact CG-CD1 4.25Å; R2039-L2048 PolarHBondContact O-N 3.38Å; R2039-T2049 WeakPolarHBondContact CB-OG1 3.27Å; R2039-T2049 PolarHBondContact N-O 3.04Å |
| 2040 | L | 86.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 143.6 | 176 | -59 | 179.3 | 0 | 0 | 0 | 110.2 | Y1965 L1992 I2004 S2014 A2015 G2016 L2018 E2046 I2047 | Y1965-L2040 HydrophobicContact CE1-CD1 4.25Å; L1992-L2040 HydrophobicContact CD2-CD2 4.12Å; I2004-L2040 HydrophobicContact CD1-CD1 3.97Å; S2014-L2040 WeakPolarHBondContact CA-O 3.23Å; S2014-L2040 VanDerWaalsContact CB-O 3.3Å; S2014-L2040 WeakPolarHBondContact CB-O 3.49Å; S2014-L2040 PolarHBondContact OG-O 2.86Å; A2015-L2040 HydrophobicContact CB-CB 4.01Å; A2015-L2040 PolarHBondContact N-O 3.12Å; G2016-L2040 PolarHBondContact O-N 3.35Å; L2018-L2040 HydrophobicContact CB-CD1 4.27Å; L2018-L2040 HydrophobicContact CB-CD2 4.14Å; L2018-L2040 HydrophobicContact CB-CG 4.2Å; L2018-L2040 HydrophobicContact CD2-CD2 4.36Å; L2040-E2046 CarbonylContact C-O 3.03Å; L2040-E2046 WeakPolarHBondContact CA-O 2.96Å; L2040-I2047 HydrophobicContact CD2-CG1 4.24Å |
| 2041 | G | 82.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -78.2 | -168.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A2015 T2043 G2044 E2046 | A2015-G2041 WeakPolarHBondContact CB-O 3.32Å; A2015-G2041 PolarHBondContact N-O 3.41Å; G2041-T2043 PolarHBondContact O-N 3.48Å; G2041-G2044 PolarHBondContact O-N 2.86Å; G2041-E2046 VanDerWaalsContact CA-CG 3.45Å; G2041-E2046 VanDerWaalsContact CA-OE1 3.32Å; G2041-E2046 WeakPolarHBondContact CA-OE1 3.41Å; G2041-E2046 PolarHBondContact N-O 2.04Å | ||
| 2042 | Q | 81.3 | Confident | 84.4 | Confident | 126 Ų | 126 | 41.2 Ų | 41.2 | 59% | 0.589 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.9 | -169.2 | -73.5 | -172 | -3.2 | 0 | 0 | 113.1 | N2013 E2046 | N2013-Q2042 HydrophobicContact CB-CG 4.2Å; N2013-Q2042 PolarHBondContact O-N 2.77Å; N2013-Q2042 PolarHBondContact OD1-NE2 2.86Å; Q2042-E2046 PolarHBondContact N-OE1 3.38Å |
| 2043 | T | 83.7 | Confident | 84.3 | Confident | 77 Ų | 77 | 42.9 Ų | 42.9 | 47% | 0.472 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -14.3 | -176.7 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | G2041 R2045 | G2041-T2043 PolarHBondContact O-N 3.48Å; T2043-R2045 PolarHBondContact O-N 3.1Å; T2043-R2045 PolarHBondContact OG1-N 3.27Å; T2043-R2045 VanDerWaalsContact OG1-N 3.14Å |
| 2044 | G | 86.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 74.1 | -15.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1965 G2041 | Y1965-G2044 PolarHBondContact OH-O 3.07Å; G2041-G2044 PolarHBondContact O-N 2.86Å |
| 2045 | R | 90.7 | Very high | 83.8 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -98.2 | 5.2 | -175.1 | -74.5 | 173.8 | 170.1 | -86.3 | 6.7 | 114 | L1963 V1981 N1988 E1990 L1992 T2043 D2135 | L1963-R2045 HydrophobicContact CD1-CG 4.4Å; L1963-R2045 HydrophobicContact CD2-CG 4.41Å; V1981-R2045 HydrophobicContact CG1-CG 4.14Å; V1981-R2045 HydrophobicContact CG2-CG 4.41Å; N1988-R2045 VanDerWaalsContact O-CZ 3.24Å; N1988-R2045 PolarHBondContact O-NH1 3.01Å; N1988-R2045 PolarHBondContact O-NH2 3.1Å; E1990-R2045 VanDerWaalsContact CD-NH1 3.33Å; E1990-R2045 VanDerWaalsContact OE1-CB 3.3Å; E1990-R2045 WeakPolarHBondContact OE1-CB 3.03Å; E1990-R2045 WeakPolarHBondContact OE1-CD 3.41Å; E1990-R2045 VanDerWaalsContact OE1-CG 3.24Å; E1990-R2045 WeakPolarHBondContact OE1-CG 3.01Å; E1990-R2045 IonicContact OE1-CZ 3.88Å; E1990-R2045 IonicContact OE1-NE 3.23Å; E1990-R2045 IonicContact OE1-NH1 3.66Å; E1990-R2045 PolarHBondContact OE1-NH1 3.31Å; L1992-R2045 WeakPolarHBondContact CD1-O 3.25Å; T2043-R2045 PolarHBondContact O-N 3.1Å; T2043-R2045 PolarHBondContact OG1-N 3.27Å; T2043-R2045 VanDerWaalsContact OG1-N 3.14Å; R2045-D2135 IonicContact CZ-OD1 3.52Å; R2045-D2135 VanDerWaalsContact CZ-OD1 3.29Å; R2045-D2135 IonicContact NE-OD1 3.87Å; R2045-D2135 PolarHBondContact NE-OD1 2.04Å; R2045-D2135 IonicContact NH2-OD1 2.81Å; R2045-D2135 PolarHBondContact NH2-OD1 2.02Å; R2045-D2135 IonicContact NH2-OD2 3.82Å; R2045-D2135 PolarHBondContact NH2-OD2 2.68Å |
| 2046 | E | 84 | Confident | 83.5 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -128.5 | 149.9 | 175.3 | 73.8 | -166.6 | 155.4 | 0 | 0 | 110 | L2040 G2041 Q2042 | L2040-E2046 CarbonylContact C-O 3.03Å; L2040-E2046 WeakPolarHBondContact CA-O 2.96Å; G2041-E2046 VanDerWaalsContact CA-CG 3.45Å; G2041-E2046 VanDerWaalsContact CA-OE1 3.32Å; G2041-E2046 WeakPolarHBondContact CA-OE1 3.41Å; G2041-E2046 PolarHBondContact N-O 2.04Å; Q2042-E2046 PolarHBondContact N-OE1 3.38Å |
| 2047 | I | 84.5 | Confident | 82.6 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 26% | 0.256 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.4 | 172 | -70.5 | 172.2 | 0 | 0 | 0 | 108.6 | L1992 L1993 A2038 L2040 T2049 N2050 | L1992-I2047 HydrophobicContact CD1-CD1 4.5Å; L1992-I2047 HydrophobicContact CD1-CG1 4.21Å; L1992-I2047 HydrophobicContact CG-CD1 4.07Å; L1992-I2047 HydrophobicContact CG-CG1 4.28Å; L1993-I2047 HydrophobicContact CB-CD1 3.87Å; L1993-I2047 HydrophobicContact CD1-CD1 4Å; L1993-I2047 HydrophobicContact CD2-CD1 3.92Å; L1993-I2047 HydrophobicContact CG-CD1 4.14Å; A2038-I2047 HydrophobicContact CB-CD1 3.91Å; A2038-I2047 HydrophobicContact CB-CG1 3.99Å; A2038-I2047 HydrophobicContact CB-CG2 3.89Å; L2040-I2047 HydrophobicContact CD2-CG1 4.24Å; I2047-T2049 WeakPolarHBondContact CG2-O 3.48Å; I2047-N2050 HydrophobicContact CG2-CB 4.26Å |
| 2048 | L | 77 | Confident | 81.6 | Confident | 82 Ų | 82 | 51.4 Ų | 51.4 | 43% | 0.429 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -45.6 | 175.4 | -62.4 | 179.2 | 0 | 0 | 0 | 111.3 | R2039 | R2039-L2048 HydrophobicContact CB-CB 4.47Å; R2039-L2048 HydrophobicContact CG-CB 4.47Å; R2039-L2048 HydrophobicContact CG-CD1 4.25Å; R2039-L2048 PolarHBondContact O-N 3.38Å |
| 2049 | T | 74 | Confident | 80.5 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 142.6 | 177.6 | 55.3 | 0 | 0 | 0 | 0 | 110 | H1764 A2038 R2039 I2047 | H1764-T2049 HydrophobicContact CB-CG2 3.93Å; A2038-T2049 CarbonylContact C-O 3.52Å; A2038-T2049 VanDerWaalsContact CA-O 3.23Å; A2038-T2049 WeakPolarHBondContact CA-O 3.36Å; R2039-T2049 WeakPolarHBondContact CB-OG1 3.27Å; R2039-T2049 PolarHBondContact N-O 3.04Å; I2047-T2049 WeakPolarHBondContact CG2-O 3.48Å |
| 2050 | N | 78.3 | Confident | 79.9 | Confident | 75 Ų | 75 | 52 Ų | 52 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.6 | 170 | -179.7 | 19.4 | 0 | 0 | 0 | 108.4 | W2020 C2037 I2047 | W2020-N2050 WeakPolarHBondContact CH2-OD1 3.1Å; C2037-N2050 PolarHBondContact O-OD1 2.81Å; I2047-N2050 HydrophobicContact CG2-CB 4.26Å |
| 2051 | E | 78.4 | Confident | 79.7 | Confident | 60 Ų | 60 | 55 Ų | 55 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.7 | -177.3 | 50.8 | -177.3 | -162.8 | 0 | 0 | 110.8 | K2017 H2036 C2037 I2053 | K2017-E2051 IonicContact NZ-OE1 3.79Å; K2017-E2051 PolarHBondContact NZ-OE1 2.96Å; H2036-E2051 WeakPolarHBondContact CA-O 3.16Å; C2037-E2051 PolarHBondContact N-O 3.03Å; C2037-E2051 WeakPolarHBondContact O-CG 2.91Å; C2037-E2051 PolarHBondContact O-N 2.66Å; E2051-I2053 HydrophobicContact CG-CD1 3.71Å; E2051-I2053 HydrophobicContact CG-CG1 4.47Å; E2051-I2053 PolarHBondContact O-N 3.26Å; E2051-I2053 VanDerWaalsContact OE1-CD1 3.31Å; E2051-I2053 WeakPolarHBondContact OE1-CD1 3.35Å |
| 2052 | K | 82.5 | Confident | 79.9 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 116.3 | 163.6 | -179.2 | 164.7 | 61.3 | 176.3 | 0 | 107.8 | E2034 E2055 | E2034-K2052 HydrophobicContact CB-CD 3.92Å; E2034-K2052 HydrophobicContact CG-CD 3.82Å; E2034-K2052 WeakPolarHBondContact OE1-CD 3.34Å; E2034-K2052 WeakPolarHBondContact OE1-CE 3.05Å; E2034-K2052 IonicContact OE1-NZ 2.74Å; E2034-K2052 PolarHBondContact OE1-NZ 3.04Å; K2052-E2055 HydrophobicContact CD-CB 4.31Å; K2052-E2055 IonicContact NZ-OE2 2.93Å; K2052-E2055 PolarHBondContact NZ-OE2 3.19Å |
| 2053 | I | 79.4 | Confident | 80.2 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -46.8 | -176.8 | -63.4 | -64.1 | 0 | 0 | 0 | 110.9 | L2035 C2037 E2051 I2086 | L2035-I2053 HydrophobicContact CD2-CB 3.95Å; L2035-I2053 HydrophobicContact CD2-CG2 3.68Å; L2035-I2053 HydrophobicContact CG-CB 4.01Å; L2035-I2053 HydrophobicContact CG-CG2 4.3Å; L2035-I2053 PolarHBondContact O-N 2.88Å; C2037-I2053 HydrophobicContact CB-CD1 4.27Å; C2037-I2053 HydrophobicContact CB-CG1 3.88Å; E2051-I2053 HydrophobicContact CG-CD1 3.71Å; E2051-I2053 HydrophobicContact CG-CG1 4.47Å; E2051-I2053 PolarHBondContact O-N 3.26Å; E2051-I2053 VanDerWaalsContact OE1-CD1 3.31Å; E2051-I2053 WeakPolarHBondContact OE1-CD1 3.35Å; I2053-I2086 HydrophobicContact CG2-CD1 3.08Å |
| 2054 | R | 83.7 | Confident | 80.2 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 139.4 | -179.7 | -166.7 | 169 | -178 | 134.4 | -5.4 | 109.6 | L2035 F2056 E2060 D2089 | L2035-R2054 HydrophobicContact CB-CB 4.24Å; L2035-R2054 HydrophobicContact CD2-CB 4.39Å; L2035-R2054 PolarHBondContact N-O 3.05Å; L2035-R2054 PolarHBondContact O-N 3.43Å; R2054-F2056 HydrophobicContact CG-CD1 4.37Å; R2054-F2056 HydrophobicContact CG-CE1 4.2Å; R2054-E2060 IonicContact CZ-OE2 3.92Å; R2054-E2060 IonicContact NE-OE2 2.67Å; R2054-E2060 IonicContact NH2-OE1 3.78Å; R2054-E2060 IonicContact NH2-OE2 3.61Å; R2054-E2060 PolarHBondContact NH2-OE2 3.4Å; R2054-D2089 IonicContact NH1-OD1 2.7Å; R2054-D2089 PolarHBondContact NH1-OD1 3.04Å; R2054-D2089 IonicContact NH1-OD2 3.63Å |
| 2055 | E | 83.3 | Confident | 80.3 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.5 | 164.4 | -170.7 | 178.7 | 128.9 | 0 | 0 | 106.2 | K2026 V2032 E2034 K2052 | K2026-E2055 IonicContact NZ-OE1 3.53Å; K2026-E2055 PolarHBondContact NZ-OE1 3.35Å; K2026-E2055 IonicContact NZ-OE2 2.69Å; K2026-E2055 PolarHBondContact NZ-OE2 2.96Å; V2032-E2055 HydrophobicContact CG2-CG 3.43Å; V2032-E2055 VanDerWaalsContact CG2-CG 3.43Å; E2034-E2055 HydrophobicContact CG-CG 4.38Å; K2052-E2055 HydrophobicContact CD-CB 4.31Å; K2052-E2055 IonicContact NZ-OE2 2.93Å; K2052-E2055 PolarHBondContact NZ-OE2 3.19Å |
| 2056 | F | 83.4 | Confident | 80.3 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 136.6 | -177.7 | -64.2 | -78.2 | 0 | 0 | 0 | 110.5 | V2032 T2033 L2035 R2054 P2062 W2075 | V2032-F2056 WeakPolarHBondContact CG2-O 3.48Å; T2033-F2056 HydrophobicContact CG2-CD2 4Å; T2033-F2056 WeakPolarHBondContact O-CB 3.01Å; T2033-F2056 WeakPolarHBondContact O-CD2 3.02Å; T2033-F2056 PolarHBondContact O-N 3.39Å; L2035-F2056 HydrophobicContact CB-CE2 3.77Å; L2035-F2056 HydrophobicContact CB-CZ 4.17Å; R2054-F2056 HydrophobicContact CG-CD1 4.37Å; R2054-F2056 HydrophobicContact CG-CE1 4.2Å; F2056-P2062 HydrophobicContact CD1-CG 4.43Å; F2056-P2062 HydrophobicContact CD2-CG 3.84Å; F2056-P2062 HydrophobicContact CE1-CG 4.43Å; F2056-P2062 HydrophobicContact CE2-CG 3.81Å; F2056-P2062 HydrophobicContact CG-CG 4.16Å; F2056-P2062 HydrophobicContact CZ-CB 4.37Å; F2056-P2062 HydrophobicContact CZ-CG 4.12Å; F2056-W2075 AromaticContact CE1-CE2 3.77Å; F2056-W2075 AromaticContact CE1-CZ2 3.92Å; F2056-W2075 HydrophobicContact CE1-CZ2 3.92Å; F2056-W2075 AromaticContact CE1-NE1 3.42Å; F2056-W2075 AromaticContact CZ-CE2 3.87Å; F2056-W2075 HydrophobicContact CZ-CZ2 4.21Å; F2056-W2075 AromaticContact CZ-NE1 3.69Å |
| 2057 | S | 73.5 | Confident | 80.6 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | trans | -69 | 160 | 167.1 | 65.6 | 0 | 0 | 0 | 0 | 110.5 | S2059 E2060 E2061 | S2057-S2059 WeakPolarHBondContact CB-OG 3.39Å; S2057-S2059 PolarHBondContact O-N 3.09Å; S2057-S2059 VanDerWaalsContact O-N 3.13Å; S2057-S2059 PolarHBondContact OG-N 3.19Å; S2057-S2059 PolarHBondContact OG-OG 2.03Å; S2057-E2060 CarbonylContact O-C 3.45Å; S2057-E2060 PolarHBondContact O-N 2.71Å; S2057-E2060 VanDerWaalsContact O-N 3.08Å; S2057-E2060 PolarHBondContact OG-N 2.83Å; S2057-E2060 VanDerWaalsContact OG-N 3.12Å; S2057-E2061 PolarHBondContact O-N 3.37Å | ||
| 2058 | P | 67.5 | Low | 80.8 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 33% | 0.331 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -60.6 | -18.5 | 169.5 | -21.5 | 34.2 | 0 | 0 | 0 | 113.4 | ||
| 2059 | S | 64.9 | Low | 81 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -85.5 | -15 | 176.9 | 49.1 | 0 | 0 | 0 | 0 | 114 | E1697 S2057 K2080 | E1697-S2059 WeakPolarHBondContact OE2-CB 3.28Å; E1697-S2059 PolarHBondContact OE2-OG 3.47Å; S2057-S2059 WeakPolarHBondContact CB-OG 3.39Å; S2057-S2059 PolarHBondContact O-N 3.09Å; S2057-S2059 VanDerWaalsContact O-N 3.13Å; S2057-S2059 PolarHBondContact OG-N 3.19Å; S2057-S2059 PolarHBondContact OG-OG 2.03Å; S2059-K2080 PolarHBondContact O-NZ 3.41Å |
| 2060 | E | 72.4 | Confident | 80.9 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -118.1 | 32.9 | 175.3 | -65.6 | -152.5 | 121.9 | 0 | 0 | 112.8 | R2054 S2057 P2062 Y2084 | R2054-E2060 IonicContact CZ-OE2 3.92Å; R2054-E2060 IonicContact NE-OE2 2.67Å; R2054-E2060 IonicContact NH2-OE1 3.78Å; R2054-E2060 IonicContact NH2-OE2 3.61Å; R2054-E2060 PolarHBondContact NH2-OE2 3.4Å; S2057-E2060 CarbonylContact O-C 3.45Å; S2057-E2060 PolarHBondContact O-N 2.71Å; S2057-E2060 VanDerWaalsContact O-N 3.08Å; S2057-E2060 PolarHBondContact OG-N 2.83Å; S2057-E2060 VanDerWaalsContact OG-N 3.12Å; E2060-P2062 VanDerWaalsContact O-CD 3.32Å; E2060-P2062 WeakPolarHBondContact O-CD 3.36Å; E2060-Y2084 WeakPolarHBondContact OE1-CE1 3.44Å; E2060-Y2084 PolarHBondContact OE1-OH 2.84Å |
| 2061 | E | 82.5 | Confident | 80.4 | Confident | 64 Ų | 64 | 42.9 Ų | 42.9 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -57.9 | 122.5 | 179.5 | -83.4 | -132.3 | 121.3 | 0 | 0 | 112.1 | R2023 T2033 S2057 A2078 | R2023-E2061 IonicContact CZ-OE1 3.82Å; R2023-E2061 IonicContact NE-OE1 3.22Å; R2023-E2061 VanDerWaalsContact NH2-CD 3.31Å; R2023-E2061 IonicContact NH2-OE1 2.68Å; R2023-E2061 PolarHBondContact NH2-OE1 2.77Å; R2023-E2061 IonicContact NH2-OE2 3.64Å; R2023-E2061 PolarHBondContact NH2-OE2 3.5Å; R2023-E2061 VanDerWaalsContact NH2-OE2 3.09Å; T2033-E2061 PolarHBondContact OG1-OE1 3.25Å; T2033-E2061 VanDerWaalsContact OG1-OE1 3.05Å; S2057-E2061 PolarHBondContact O-N 3.37Å; E2061-A2078 VanDerWaalsContact O-CB 3.3Å; E2061-A2078 WeakPolarHBondContact O-CB 3.34Å; E2061-A2078 PolarHBondContact O-N 3.27Å |
| 2062 | P | 87.5 | Confident | 80.3 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 10% | 0.097 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 155.4 | -179 | 35.9 | -38.5 | 0 | 0 | 0 | 112.1 | M2021 T2033 F2056 E2060 T2076 | M2021-P2062 HydrophobicContact CE-CB 3.58Å; M2021-P2062 HydrophobicContact CE-CG 3.34Å; T2033-P2062 HydrophobicContact CG2-CG 3.84Å; F2056-P2062 HydrophobicContact CD1-CG 4.43Å; F2056-P2062 HydrophobicContact CD2-CG 3.84Å; F2056-P2062 HydrophobicContact CE1-CG 4.43Å; F2056-P2062 HydrophobicContact CE2-CG 3.81Å; F2056-P2062 HydrophobicContact CG-CG 4.16Å; F2056-P2062 HydrophobicContact CZ-CB 4.37Å; F2056-P2062 HydrophobicContact CZ-CG 4.12Å; E2060-P2062 VanDerWaalsContact O-CD 3.32Å; E2060-P2062 WeakPolarHBondContact O-CD 3.36Å; P2062-T2076 CarbonylContact C-O 3.55Å; P2062-T2076 WeakPolarHBondContact CA-O 3.38Å |
| 2063 | S | 86.5 | Confident | 80.5 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 173.4 | 177.5 | 130.8 | 0 | 0 | 0 | 0 | 111.6 | M2021 G2065 T2076 F2103 | M2021-S2063 WeakPolarHBondContact CE-O 3.44Å; S2063-G2065 PolarHBondContact O-N 2.91Å; S2063-G2065 PolarHBondContact OG-N 3.37Å; S2063-T2076 PolarHBondContact N-O 2.84Å; S2063-T2076 PolarHBondContact OG-OG1 2.03Å; S2063-F2103 WeakPolarHBondContact CB-O 3Å; S2063-F2103 PolarHBondContact OG-O 3.32Å |
| 2064 | F | 84.3 | Confident | 81.1 | Confident | 102 Ų | 102 | 34.1 Ų | 34.1 | 45% | 0.447 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -12.8 | 175.3 | -56.7 | -74.1 | 0 | 0 | 0 | 113.9 | M2066 | F2064-M2066 PolarHBondContact O-N 2.82Å |
| 2065 | G | 87.3 | Confident | 81.5 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 99.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2063 W2075 T2076 | S2063-G2065 PolarHBondContact O-N 2.91Å; S2063-G2065 PolarHBondContact OG-N 3.37Å; G2065-W2075 CarbonylContact O-C 3.57Å; G2065-W2075 WeakPolarHBondContact O-CA 3.2Å; G2065-T2076 PolarHBondContact O-N 3.14Å; G2065-T2076 PolarHBondContact O-OG1 2.89Å |
| 2066 | M | 91.8 | Very high | 81.9 | Confident | 17 Ų | 17 | 28 Ų | 28 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 138.8 | 173.8 | 178.7 | -176.6 | 62.6 | 0 | 0 | 110.9 | A2001 M2021 L2035 F2064 L2073 L2074 W2075 | A2001-M2066 HydrophobicContact CB-CB 4.44Å; A2001-M2066 HydrophobicContact CB-CE 3.92Å; M2021-M2066 HydrophobicContact CG-CE 4.26Å; M2021-M2066 HydrophobicContact CG-SD 3.75Å; M2021-M2066 HydrophobicContact SD-CB 3.82Å; M2021-M2066 HydrophobicContact SD-CE 4.08Å; M2021-M2066 HydrophobicContact SD-CG 4.09Å; M2021-M2066 HydrophobicContact SD-SD 3.45Å; L2035-M2066 HydrophobicContact CD1-SD 4.07Å; F2064-M2066 PolarHBondContact O-N 2.82Å; M2066-L2073 HydrophobicContact CG-CD1 3.79Å; M2066-L2073 HydrophobicContact CG-CG 4.47Å; M2066-L2073 HydrophobicContact SD-CD1 3.84Å; M2066-L2073 HydrophobicContact SD-CD2 4.46Å; M2066-L2074 CarbonylContact C-O 3.5Å; M2066-L2074 VanDerWaalsContact CA-O 3.31Å; M2066-L2074 WeakPolarHBondContact CA-O 3.41Å; M2066-W2075 HydrophobicContact CB-CB 4.28Å; M2066-W2075 HydrophobicContact CG-CB 4.39Å |
| 2067 | T | 90.4 | Very high | 82.2 | Confident | 28 Ų | 28 | 27.8 Ų | 27.8 | 17% | 0.172 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 164.5 | 170.2 | -152.7 | 0 | 0 | 0 | 0 | 113.1 | L2074 L2106 V2108 | T2067-L2074 HydrophobicContact CG2-CD1 4.41Å; T2067-L2074 PolarHBondContact N-O 3.38Å; T2067-L2074 PolarHBondContact O-N 2.8Å; T2067-L2106 HydrophobicContact CG2-CD2 3.42Å; T2067-L2106 VanDerWaalsContact CG2-CD2 3.42Å; T2067-V2108 HydrophobicContact CG2-CB 4.4Å; T2067-V2108 HydrophobicContact CG2-CG2 3.87Å |
| 2068 | Q | 88.3 | Confident | 82.6 | Confident | 18 Ų | 18 | 27.6 Ų | 27.6 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.8 | 172.1 | -69.1 | -173.7 | 77.1 | 0 | 0 | 110.8 | S2003 S2005 K2017 T2072 L2073 | S2003-Q2068 PolarHBondContact O-NE2 3.46Å; S2003-Q2068 PolarHBondContact OG-N 2.04Å; S2005-Q2068 VanDerWaalsContact CB-OE1 3.24Å; K2017-Q2068 PolarHBondContact O-NE2 3.12Å; Q2068-T2072 WeakPolarHBondContact CA-O 3.31Å; Q2068-L2073 HydrophobicContact CG-CB 4.38Å; Q2068-L2073 HydrophobicContact CG-CD1 3.37Å; Q2068-L2073 HydrophobicContact CG-CG 4.48Å |
| 2069 | Y | 80.8 | Confident | 83.2 | Confident | 31 Ų | 31 | 29.2 Ų | 29.2 | 12% | 0.122 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 128.9 | 170.6 | -179.4 | -112.4 | 0 | 0 | 0 | 110.2 | F1819 G2071 T2072 V2108 G2110 D2111 | F1819-Y2069 HydrophobicContact CB-CD1 4.12Å; F1819-Y2069 HydrophobicContact CB-CE1 3.62Å; F1819-Y2069 AromaticContact CD1-CD1 3.55Å; F1819-Y2069 HydrophobicContact CD1-CD1 3.55Å; F1819-Y2069 AromaticContact CD1-CE1 3.58Å; F1819-Y2069 HydrophobicContact CD1-CE1 3.58Å; F1819-Y2069 HydrophobicContact CD2-CD1 4.15Å; F1819-Y2069 AromaticContact CE1-CD1 3.93Å; F1819-Y2069 HydrophobicContact CE1-CD1 3.93Å; F1819-Y2069 HydrophobicContact CE1-CE1 4.38Å; F1819-Y2069 HydrophobicContact CE2-CD1 4.48Å; F1819-Y2069 AromaticContact CG-CD1 3.68Å; F1819-Y2069 HydrophobicContact CG-CD1 3.68Å; F1819-Y2069 AromaticContact CG-CE1 3.66Å; F1819-Y2069 HydrophobicContact CG-CE1 3.66Å; F1819-Y2069 HydrophobicContact CZ-CD1 4.38Å; Y2069-G2071 PolarHBondContact O-N 3.16Å; Y2069-T2072 PolarHBondContact N-O 3.17Å; Y2069-T2072 PolarHBondContact O-N 3.15Å; Y2069-V2108 HydrophobicContact CD1-CG1 3.87Å; Y2069-V2108 HydrophobicContact CD2-CG1 3.97Å; Y2069-V2108 HydrophobicContact CE1-CG1 4.31Å; Y2069-V2108 HydrophobicContact CE2-CG1 4.42Å; Y2069-V2108 HydrophobicContact CG-CB 4.38Å; Y2069-V2108 HydrophobicContact CG-CG1 3.66Å; Y2069-G2110 WeakPolarHBondContact OH-CA 3.18Å; Y2069-D2111 PolarHBondContact OH-N 2.04Å; Y2069-D2111 VanDerWaalsContact OH-N 3.16Å |
| 2070 | K | 72 | Confident | 84.1 | Confident | 79 Ų | 79 | 30.9 Ų | 30.9 | 34% | 0.343 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 26.6 | -175 | -63.7 | -174.7 | 177.5 | 176.6 | 0 | 115.1 | I1791 T2072 D2111 | I1791-K2070 VanDerWaalsContact CD1-O 3.29Å; I1791-K2070 WeakPolarHBondContact CD1-O 3.44Å; K2070-T2072 VanDerWaalsContact C-N 3.34Å; K2070-D2111 IonicContact NZ-OD2 2.57Å |
| 2071 | G | 68.3 | Low | 84.9 | Confident | 26 Ų | 26 | 29.8 Ų | 29.8 | 27% | 0.268 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -11.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y2069 | Y2069-G2071 PolarHBondContact O-N 3.16Š|
| 2072 | T | 76.9 | Confident | 85.2 | Confident | 14 Ų | 14 | 27 Ų | 27 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 123.8 | 165.8 | -65.4 | 0 | 0 | 0 | 0 | 109.4 | Q2068 Y2069 K2070 L2074 N2087 | Q2068-T2072 WeakPolarHBondContact CA-O 3.31Å; Y2069-T2072 PolarHBondContact N-O 3.17Å; Y2069-T2072 PolarHBondContact O-N 3.15Å; K2070-T2072 VanDerWaalsContact C-N 3.34Å; T2072-L2074 HydrophobicContact CG2-CD2 4.05Å; T2072-L2074 HydrophobicContact CG2-CG 4.34Å; T2072-N2087 WeakPolarHBondContact CG2-O 3.02Å; T2072-N2087 PolarHBondContact OG1-O 3.46Å |
| 2073 | L | 86.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 137 | 169.9 | -175.8 | 78.8 | 0 | 0 | 0 | 110 | C2019 L2035 M2066 Q2068 W2075 I2086 | C2019-L2073 HydrophobicContact CB-CD1 4.15Å; L2035-L2073 HydrophobicContact CD1-CD2 3.56Å; L2035-L2073 HydrophobicContact CD2-CD2 3.32Å; L2035-L2073 HydrophobicContact CG-CD2 4.02Å; M2066-L2073 HydrophobicContact CG-CD1 3.79Å; M2066-L2073 HydrophobicContact CG-CG 4.47Å; M2066-L2073 HydrophobicContact SD-CD1 3.84Å; M2066-L2073 HydrophobicContact SD-CD2 4.46Å; Q2068-L2073 HydrophobicContact CG-CB 4.38Å; Q2068-L2073 HydrophobicContact CG-CD1 3.37Å; Q2068-L2073 HydrophobicContact CG-CG 4.48Å; L2073-W2075 HydrophobicContact CD2-CE3 4.18Å; L2073-W2075 HydrophobicContact CD2-CZ3 4.36Å; L2073-W2075 HydrophobicContact CG-CE3 4.3Å; L2073-I2086 HydrophobicContact CB-CG2 3.74Å; L2073-I2086 PolarHBondContact O-N 2.85Å; L2073-I2086 VanDerWaalsContact O-N 3.15Å |
| 2074 | L | 90.8 | Very high | 85.5 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.4 | 178.4 | -58.6 | 166.1 | 0 | 0 | 0 | 110 | F1819 M2066 T2067 T2072 Y2083 Y2084 L2106 V2108 | F1819-L2074 HydrophobicContact CE2-CD1 3.68Å; F1819-L2074 HydrophobicContact CZ-CD1 4.04Å; M2066-L2074 CarbonylContact C-O 3.5Å; M2066-L2074 VanDerWaalsContact CA-O 3.31Å; M2066-L2074 WeakPolarHBondContact CA-O 3.41Å; T2067-L2074 HydrophobicContact CG2-CD1 4.41Å; T2067-L2074 PolarHBondContact N-O 3.38Å; T2067-L2074 PolarHBondContact O-N 2.8Å; T2072-L2074 HydrophobicContact CG2-CD2 4.05Å; T2072-L2074 HydrophobicContact CG2-CG 4.34Å; L2074-Y2083 HydrophobicContact CD2-CD2 4.45Å; L2074-Y2083 HydrophobicContact CD2-CE2 4.38Å; L2074-Y2084 VanDerWaalsContact CA-O 3.3Å; L2074-Y2084 WeakPolarHBondContact CA-O 3.49Å; L2074-L2106 HydrophobicContact CB-CD1 4.23Å; L2074-L2106 HydrophobicContact CB-CD2 3.83Å; L2074-L2106 HydrophobicContact CD1-CD2 4.46Å; L2074-V2108 HydrophobicContact CD1-CG2 3.47Å; L2074-V2108 VanDerWaalsContact CD1-CG2 3.47Å |
| 2075 | W | 92.6 | Very high | 85.5 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 163.2 | 173.8 | 69.1 | 95.9 | 0 | 0 | 0 | 112.7 | F2056 G2065 M2066 L2073 Y2083 Y2084 I2086 | F2056-W2075 AromaticContact CE1-CE2 3.77Å; F2056-W2075 AromaticContact CE1-CZ2 3.92Å; F2056-W2075 HydrophobicContact CE1-CZ2 3.92Å; F2056-W2075 AromaticContact CE1-NE1 3.42Å; F2056-W2075 AromaticContact CZ-CE2 3.87Å; F2056-W2075 HydrophobicContact CZ-CZ2 4.21Å; F2056-W2075 AromaticContact CZ-NE1 3.69Å; G2065-W2075 CarbonylContact O-C 3.57Å; G2065-W2075 WeakPolarHBondContact O-CA 3.2Å; M2066-W2075 HydrophobicContact CB-CB 4.28Å; M2066-W2075 HydrophobicContact CG-CB 4.39Å; L2073-W2075 HydrophobicContact CD2-CE3 4.18Å; L2073-W2075 HydrophobicContact CD2-CZ3 4.36Å; L2073-W2075 HydrophobicContact CG-CE3 4.3Å; W2075-Y2083 CarbonylContact O-C 3.52Å; W2075-Y2083 WeakPolarHBondContact O-CA 3.33Å; W2075-Y2083 WeakPolarHBondContact O-CB 3.14Å; W2075-Y2084 AromaticContact CE2-CG 3.8Å; W2075-Y2084 HydrophobicContact CZ2-CD1 4.04Å; W2075-Y2084 AromaticContact CZ2-CG 3.81Å; W2075-Y2084 HydrophobicContact CZ2-CG 3.81Å; W2075-Y2084 PolarHBondContact N-O 2.81Å; W2075-Y2084 VanDerWaalsContact N-O 3.16Å; W2075-Y2084 AromaticContact NE1-CD2 3.69Å; W2075-Y2084 AromaticContact NE1-CG 3.76Å; W2075-Y2084 PolarHBondContact O-N 2.84Å; W2075-I2086 HydrophobicContact CH2-CB 4.41Å; W2075-I2086 HydrophobicContact CZ3-CB 4.06Å |
| 2076 | T | 91.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 153.5 | -179.5 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | L1823 P2062 S2063 G2065 F2103 L2106 | L1823-T2076 HydrophobicContact CD2-CG2 3.75Å; P2062-T2076 CarbonylContact C-O 3.55Å; P2062-T2076 WeakPolarHBondContact CA-O 3.38Å; S2063-T2076 PolarHBondContact N-O 2.84Å; S2063-T2076 PolarHBondContact OG-OG1 2.03Å; G2065-T2076 PolarHBondContact O-N 3.14Å; G2065-T2076 PolarHBondContact O-OG1 2.89Å; T2076-F2103 HydrophobicContact CG2-CB 3.69Å; T2076-F2103 HydrophobicContact CG2-CD2 4.12Å; T2076-F2103 HydrophobicContact CG2-CG 4.35Å; T2076-L2106 HydrophobicContact CG2-CB 3.9Å; T2076-L2106 HydrophobicContact CG2-CD1 3.73Å; T2076-L2106 HydrophobicContact CG2-CG 4.44Å |
| 2077 | D | 89.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 139.3 | 172.7 | -168.9 | -53.7 | 0 | 0 | 0 | 110.5 | T2079 K2080 V2082 Y2084 | D2077-T2079 VanDerWaalsContact C-N 3.26Å; D2077-T2079 PolarHBondContact O-N 3.11Å; D2077-T2079 WeakPolarHBondContact OD1-CA 3.36Å; D2077-T2079 PolarHBondContact OD1-N 2.89Å; D2077-T2079 PolarHBondContact OD1-OG1 3.04Å; D2077-K2080 HydrophobicContact CB-CB 4.14Å; D2077-K2080 PolarHBondContact OD1-N 3.23Å; D2077-K2080 IonicContact OD1-NZ 2.69Å; D2077-K2080 PolarHBondContact OD1-NZ 2.79Å; D2077-K2080 WeakPolarHBondContact OD2-CD 3.11Å; D2077-K2080 WeakPolarHBondContact OD2-CE 3.24Å; D2077-K2080 WeakPolarHBondContact OD2-CG 3.05Å; D2077-K2080 IonicContact OD2-NZ 3.05Å; D2077-K2080 PolarHBondContact OD2-NZ 2.95Å; D2077-V2082 HydrophobicContact CB-CG2 3.56Å; D2077-V2082 PolarHBondContact N-O 2.91Å; D2077-Y2084 HydrophobicContact CB-CE2 4.16Å |
| 2078 | A | 82.3 | Confident | 82.1 | Confident | 33 Ų | 33 | 24.1 Ų | 24.1 | 27% | 0.273 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -73.8 | -16.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E2061 R2102 | E2061-A2078 VanDerWaalsContact O-CB 3.3Å; E2061-A2078 WeakPolarHBondContact O-CB 3.34Å; E2061-A2078 PolarHBondContact O-N 3.27Å; A2078-R2102 VanDerWaalsContact O-CB 3.29Å; A2078-R2102 WeakPolarHBondContact O-CB 3.47Å; A2078-R2102 WeakPolarHBondContact O-CD 3.2Å |
| 2079 | T | 79.6 | Confident | 81.2 | Confident | 85 Ų | 85 | 28 Ų | 28 | 52% | 0.521 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -125.9 | -11.3 | -166.6 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | D2077 N2101 | D2077-T2079 VanDerWaalsContact C-N 3.26Å; D2077-T2079 PolarHBondContact O-N 3.11Å; D2077-T2079 WeakPolarHBondContact OD1-CA 3.36Å; D2077-T2079 PolarHBondContact OD1-N 2.89Å; D2077-T2079 PolarHBondContact OD1-OG1 3.04Å; T2079-N2101 CarbonylContact C-O 3.53Å |
| 2080 | K | 85.5 | Confident | 81 | Confident | 60 Ų | 60 | 29.5 Ų | 29.5 | 26% | 0.261 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -135.6 | 151.3 | -171.6 | -48.9 | 173.6 | -154.5 | 70.6 | 0 | 111.3 | S2059 D2077 V2082 N2101 | S2059-K2080 PolarHBondContact O-NZ 3.41Å; D2077-K2080 HydrophobicContact CB-CB 4.14Å; D2077-K2080 PolarHBondContact OD1-N 3.23Å; D2077-K2080 IonicContact OD1-NZ 2.69Å; D2077-K2080 PolarHBondContact OD1-NZ 2.79Å; D2077-K2080 WeakPolarHBondContact OD2-CD 3.11Å; D2077-K2080 WeakPolarHBondContact OD2-CE 3.24Å; D2077-K2080 WeakPolarHBondContact OD2-CG 3.05Å; D2077-K2080 IonicContact OD2-NZ 3.05Å; D2077-K2080 PolarHBondContact OD2-NZ 2.95Å; K2080-V2082 HydrophobicContact CB-CG1 4.34Å; K2080-V2082 HydrophobicContact CB-CG2 4.15Å; K2080-V2082 PolarHBondContact O-N 3.47Å; K2080-N2101 CarbonylContact C-O 3.49Å; K2080-N2101 WeakPolarHBondContact CA-O 3.48Å; K2080-N2101 PolarHBondContact N-O 2.82Å |
| 2081 | T | 87.6 | Confident | 81.6 | Confident | 28 Ų | 28 | 31.7 Ų | 31.7 | 17% | 0.172 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -78.2 | 55.9 | 173.6 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | V2094 V2097 S2100 N2101 F2103 | T2081-V2094 PolarHBondContact O-N 3.38Å; T2081-V2097 HydrophobicContact CG2-CB 4.42Å; T2081-V2097 HydrophobicContact CG2-CG1 4.03Å; T2081-S2100 VanDerWaalsContact CG2-O 3.26Å; T2081-S2100 WeakPolarHBondContact CG2-O 3.48Å; T2081-N2101 PolarHBondContact N-O 3.01Å; T2081-F2103 VanDerWaalsContact C-CE2 3.42Å; T2081-F2103 HydrophobicContact CG2-CE1 4.46Å; T2081-F2103 HydrophobicContact CG2-CZ 4.26Å |
| 2082 | V | 89.3 | Confident | 82.5 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 152.7 | 177.7 | -49.7 | 0 | 0 | 0 | 0 | 110.9 | D2077 K2080 Y2084 R2091 I2092 R2093 | D2077-V2082 HydrophobicContact CB-CG2 3.56Å; D2077-V2082 PolarHBondContact N-O 2.91Å; K2080-V2082 HydrophobicContact CB-CG1 4.34Å; K2080-V2082 HydrophobicContact CB-CG2 4.15Å; K2080-V2082 PolarHBondContact O-N 3.47Å; V2082-Y2084 HydrophobicContact CG2-CD2 4.34Å; V2082-Y2084 HydrophobicContact CG2-CE2 3.79Å; V2082-R2091 HydrophobicContact CB-CG 4.31Å; V2082-R2091 HydrophobicContact CG2-CG 4.21Å; V2082-I2092 VanDerWaalsContact CA-O 3.29Å; V2082-I2092 WeakPolarHBondContact CA-O 3.35Å; V2082-I2092 WeakPolarHBondContact CB-O 3.42Å; V2082-R2093 HydrophobicContact CG1-CB 4.28Å; V2082-R2093 HydrophobicContact CG1-CG 4.35Å |
| 2083 | Y | 90.8 | Very high | 83 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 157.4 | 161.3 | 71.9 | -93.8 | 0 | 0 | 0 | 109.7 | L1823 T1832 T1840 L2074 W2075 I2092 V2094 L2106 | L1823-Y2083 HydrophobicContact CD1-CD1 4.2Å; T1832-Y2083 HydrophobicContact CG2-CE1 4.18Å; T1840-Y2083 HydrophobicContact CG2-CE1 4.01Å; L2074-Y2083 HydrophobicContact CD2-CD2 4.45Å; L2074-Y2083 HydrophobicContact CD2-CE2 4.38Å; W2075-Y2083 CarbonylContact O-C 3.52Å; W2075-Y2083 WeakPolarHBondContact O-CA 3.33Å; W2075-Y2083 WeakPolarHBondContact O-CB 3.14Å; Y2083-I2092 HydrophobicContact CD1-CB 4.22Å; Y2083-I2092 HydrophobicContact CD1-CG2 4.45Å; Y2083-I2092 HydrophobicContact CD2-CB 4.28Å; Y2083-I2092 HydrophobicContact CD2-CD1 3.99Å; Y2083-I2092 HydrophobicContact CD2-CG1 4.42Å; Y2083-I2092 HydrophobicContact CE1-CB 3.91Å; Y2083-I2092 HydrophobicContact CE1-CG2 3.78Å; Y2083-I2092 HydrophobicContact CE2-CB 3.96Å; Y2083-I2092 HydrophobicContact CE2-CD1 3.7Å; Y2083-I2092 HydrophobicContact CE2-CG1 3.85Å; Y2083-I2092 HydrophobicContact CE2-CG2 4.47Å; Y2083-I2092 HydrophobicContact CG-CB 4.4Å; Y2083-I2092 PolarHBondContact N-O 2.76Å; Y2083-I2092 PolarHBondContact O-N 2.99Å; Y2083-V2094 HydrophobicContact CD1-CG2 3.84Å; Y2083-V2094 HydrophobicContact CE1-CG2 4.07Å; Y2083-L2106 HydrophobicContact CG-CD1 4.33Å |
| 2084 | Y | 89.5 | Confident | 83.1 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 152.3 | 180 | -69.6 | -101.6 | 0 | 0 | 0 | 110 | E2060 L2074 W2075 D2077 V2082 R2090 R2091 | E2060-Y2084 WeakPolarHBondContact OE1-CE1 3.44Å; E2060-Y2084 PolarHBondContact OE1-OH 2.84Å; L2074-Y2084 VanDerWaalsContact CA-O 3.3Å; L2074-Y2084 WeakPolarHBondContact CA-O 3.49Å; W2075-Y2084 AromaticContact CE2-CG 3.8Å; W2075-Y2084 HydrophobicContact CZ2-CD1 4.04Å; W2075-Y2084 AromaticContact CZ2-CG 3.81Å; W2075-Y2084 HydrophobicContact CZ2-CG 3.81Å; W2075-Y2084 PolarHBondContact N-O 2.81Å; W2075-Y2084 VanDerWaalsContact N-O 3.16Å; W2075-Y2084 AromaticContact NE1-CD2 3.69Å; W2075-Y2084 AromaticContact NE1-CG 3.76Å; W2075-Y2084 PolarHBondContact O-N 2.84Å; D2077-Y2084 HydrophobicContact CB-CE2 4.16Å; V2082-Y2084 HydrophobicContact CG2-CD2 4.34Å; V2082-Y2084 HydrophobicContact CG2-CE2 3.79Å; Y2084-R2090 CarbonylContact C-O 3.48Å; Y2084-R2090 VanDerWaalsContact CA-O 3.31Å; Y2084-R2090 WeakPolarHBondContact CA-O 3.21Å; Y2084-R2091 HydrophobicContact CD1-CB 3.93Å; Y2084-R2091 HydrophobicContact CD1-CG 4.18Å; Y2084-R2091 HydrophobicContact CE1-CB 3.8Å; Y2084-R2091 HydrophobicContact CE1-CG 3.76Å; Y2084-R2091 HydrophobicContact CE2-CG 4.4Å |
| 2085 | S | 85 | Confident | 82.8 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 148.2 | 169.1 | 163.7 | 0 | 0 | 0 | 0 | 108 | N2087 P2088 D2089 R2090 | S2085-N2087 PolarHBondContact OG-N 3.32Å; S2085-N2087 PolarHBondContact OG-O 3.41Å; S2085-P2088 CarbonylContact C-O 3.59Å; S2085-P2088 WeakPolarHBondContact CB-O 3.33Å; S2085-P2088 PolarHBondContact OG-O 3.23Å; S2085-D2089 CarbonylContact O-C 3.57Å; S2085-D2089 VanDerWaalsContact O-CA 3.28Å; S2085-D2089 WeakPolarHBondContact O-CA 2.92Å; S2085-R2090 PolarHBondContact N-O 2.92Å; S2085-R2090 PolarHBondContact O-N 3.5Å |
| 2086 | I | 74.9 | Confident | 82.1 | Confident | 55 Ų | 55 | 52 Ų | 52 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -23.7 | 171.6 | -160 | 167.7 | 0 | 0 | 0 | 114.6 | I2053 L2073 W2075 P2088 D2089 | I2053-I2086 HydrophobicContact CG2-CD1 3.08Å; L2073-I2086 HydrophobicContact CB-CG2 3.74Å; L2073-I2086 PolarHBondContact O-N 2.85Å; L2073-I2086 VanDerWaalsContact O-N 3.15Å; W2075-I2086 HydrophobicContact CH2-CB 4.41Å; W2075-I2086 HydrophobicContact CZ3-CB 4.06Å; I2086-P2088 CarbonylContact C-O 3.56Å; I2086-P2088 CarbonylContact O-C 3.56Å; I2086-D2089 PolarHBondContact O-N 3.43Å; I2086-D2089 VanDerWaalsContact O-N 3.12Å |
| 2087 | N | 62.5 | Low | 81.3 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | 103.6 | 172.3 | -172.6 | -1 | 0 | 0 | 0 | 109.9 | N1811 V1812 T2072 S2085 | N1811-N2087 PolarHBondContact ND2-OD1 2.98Å; N1811-N2087 PolarHBondContact OD1-OD1 2.95Å; V1812-N2087 PolarHBondContact O-ND2 3.1Å; T2072-N2087 WeakPolarHBondContact CG2-O 3.02Å; T2072-N2087 PolarHBondContact OG1-O 3.46Å; S2085-N2087 PolarHBondContact OG-N 3.32Å; S2085-N2087 PolarHBondContact OG-O 3.41Å |
| 2088 | P | 60.4 | Low | 80 | Confident | 29 Ų | 29 | 57 Ų | 57 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -66.2 | 151.7 | -8.6 | 28.8 | -36 | 0 | 0 | 0 | 112.1 | S2085 I2086 R2090 | S2085-P2088 CarbonylContact C-O 3.59Å; S2085-P2088 WeakPolarHBondContact CB-O 3.33Å; S2085-P2088 PolarHBondContact OG-O 3.23Å; I2086-P2088 CarbonylContact C-O 3.56Å; I2086-P2088 CarbonylContact O-C 3.56Å; P2088-R2090 HydrophobicContact CB-CG 4.04Å; P2088-R2090 HydrophobicContact CG-CG 4.01Å; P2088-R2090 PolarHBondContact O-N 3.1Å; P2088-R2090 VanDerWaalsContact O-N 3.09Å |
| 2089 | D | 68.2 | Low | 78.9 | Confident | 101 Ų | 101 | 59.5 Ų | 59.5 | 54% | 0.54 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 103.3 | 175.7 | -174.9 | 30.6 | 0 | 0 | 0 | 109.7 | R2054 S2085 I2086 | R2054-D2089 IonicContact NH1-OD1 2.7Å; R2054-D2089 PolarHBondContact NH1-OD1 3.04Å; R2054-D2089 IonicContact NH1-OD2 3.63Å; S2085-D2089 CarbonylContact O-C 3.57Å; S2085-D2089 VanDerWaalsContact O-CA 3.28Å; S2085-D2089 WeakPolarHBondContact O-CA 2.92Å; I2086-D2089 PolarHBondContact O-N 3.43Å; I2086-D2089 VanDerWaalsContact O-N 3.12Å |
| 2090 | R | 76.7 | Confident | 78.3 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 149.8 | -171.3 | -63.3 | -169.6 | -168.6 | -178.3 | 12.7 | 111.3 | D1836 Y2084 S2085 P2088 I2092 | D1836-R2090 PolarHBondContact O-NH1 2.96Å; Y2084-R2090 CarbonylContact C-O 3.48Å; Y2084-R2090 VanDerWaalsContact CA-O 3.31Å; Y2084-R2090 WeakPolarHBondContact CA-O 3.21Å; S2085-R2090 PolarHBondContact N-O 2.92Å; S2085-R2090 PolarHBondContact O-N 3.5Å; P2088-R2090 HydrophobicContact CB-CG 4.04Å; P2088-R2090 HydrophobicContact CG-CG 4.01Å; P2088-R2090 PolarHBondContact O-N 3.1Å; P2088-R2090 VanDerWaalsContact O-N 3.09Å; R2090-I2092 HydrophobicContact CB-CD1 3.97Å |
| 2091 | R | 84.7 | Confident | 77.5 | Confident | 125 Ų | 125 | 59.2 Ų | 59.2 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 107.5 | 171.2 | 179.8 | 179.1 | 172.8 | -123.7 | -3.8 | 108.9 | V2082 Y2084 | V2082-R2091 HydrophobicContact CB-CG 4.31Å; V2082-R2091 HydrophobicContact CG2-CG 4.21Å; Y2084-R2091 HydrophobicContact CD1-CB 3.93Å; Y2084-R2091 HydrophobicContact CD1-CG 4.18Å; Y2084-R2091 HydrophobicContact CE1-CB 3.8Å; Y2084-R2091 HydrophobicContact CE1-CG 3.76Å; Y2084-R2091 HydrophobicContact CE2-CG 4.4Å |
| 2092 | I | 87.1 | Confident | 77.1 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 5% | 0.046 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.3 | -174.3 | -55.5 | 77.9 | 0 | 0 | 0 | 109.1 | T1840 V2082 Y2083 R2090 | T1840-I2092 HydrophobicContact CG2-CG2 3.71Å; V2082-I2092 VanDerWaalsContact CA-O 3.29Å; V2082-I2092 WeakPolarHBondContact CA-O 3.35Å; V2082-I2092 WeakPolarHBondContact CB-O 3.42Å; Y2083-I2092 HydrophobicContact CD1-CB 4.22Å; Y2083-I2092 HydrophobicContact CD1-CG2 4.45Å; Y2083-I2092 HydrophobicContact CD2-CB 4.28Å; Y2083-I2092 HydrophobicContact CD2-CD1 3.99Å; Y2083-I2092 HydrophobicContact CD2-CG1 4.42Å; Y2083-I2092 HydrophobicContact CE1-CB 3.91Å; Y2083-I2092 HydrophobicContact CE1-CG2 3.78Å; Y2083-I2092 HydrophobicContact CE2-CB 3.96Å; Y2083-I2092 HydrophobicContact CE2-CD1 3.7Å; Y2083-I2092 HydrophobicContact CE2-CG1 3.85Å; Y2083-I2092 HydrophobicContact CE2-CG2 4.47Å; Y2083-I2092 HydrophobicContact CG-CB 4.4Å; Y2083-I2092 PolarHBondContact N-O 2.76Å; Y2083-I2092 PolarHBondContact O-N 2.99Å; R2090-I2092 HydrophobicContact CB-CD1 3.97Å |
| 2093 | R | 88.2 | Confident | 77 | Confident | 154 Ų | 154 | 61 Ų | 61 | 58% | 0.581 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.3 | 173.4 | -173.4 | 171.7 | -174.8 | 155.9 | 3.2 | 110.9 | N1838 V1839 T1840 V2082 | N1838-R2093 PolarHBondContact O-N 2.88Å; V1839-R2093 VanDerWaalsContact CA-O 3.31Å; V1839-R2093 WeakPolarHBondContact CA-O 3.12Å; T1840-R2093 PolarHBondContact N-O 3.48Å; V2082-R2093 HydrophobicContact CG1-CB 4.28Å; V2082-R2093 HydrophobicContact CG1-CG 4.35Å |
| 2094 | V | 88.2 | Confident | 76.6 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.9 | 179.1 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | L1823 T1840 A1842 T2081 Y2083 V2097 F2103 | L1823-V2094 HydrophobicContact CD1-CG2 3.92Å; T1840-V2094 HydrophobicContact CG2-CG2 4.19Å; A1842-V2094 HydrophobicContact CB-CG1 3.64Å; T2081-V2094 PolarHBondContact O-N 3.38Å; Y2083-V2094 HydrophobicContact CD1-CG2 3.84Å; Y2083-V2094 HydrophobicContact CE1-CG2 4.07Å; V2094-V2097 HydrophobicContact CB-CG2 4.2Å; V2094-V2097 HydrophobicContact CG1-CG2 3.74Å; V2094-F2103 HydrophobicContact CB-CE2 4.14Å; V2094-F2103 HydrophobicContact CB-CZ 3.81Å; V2094-F2103 HydrophobicContact CG1-CZ 4.17Å; V2094-F2103 HydrophobicContact CG2-CE2 3.71Å; V2094-F2103 HydrophobicContact CG2-CZ 3.83Å |
| 2095 | R | 85 | Confident | 76.6 | Confident | 147 Ų | 147 | 61.6 Ų | 61.6 | 56% | 0.555 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 161.3 | 172.4 | -68 | -172.6 | 178.9 | -170.8 | 4.7 | 111.1 | V1839 T1840 A1842 | V1839-R2095 HydrophobicContact CG1-CG 3.83Å; T1840-R2095 PolarHBondContact O-N 3.11Å; A1842-R2095 PolarHBondContact N-O 3.4Å |
| 2096 | Y | 78.8 | Confident | 77 | Confident | 161 Ų | 161 | 61.5 Ų | 61.5 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 66.3 | 36.7 | -176.8 | -49.4 | -84.9 | 0 | 0 | 0 | 114 | K1841 | K1841-Y2096 HydrophobicContact CB-CD2 4.04Å; K1841-Y2096 HydrophobicContact CB-CE2 4.26Å; K1841-Y2096 HydrophobicContact CD-CD2 4.27Å; K1841-Y2096 HydrophobicContact CD-CE2 3.66Å; K1841-Y2096 HydrophobicContact CG-CD2 4.05Å; K1841-Y2096 HydrophobicContact CG-CE2 3.77Å |
| 2097 | V | 74.4 | Confident | 77.7 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | trans | -99.8 | 119.7 | 165.9 | -172.5 | 0 | 0 | 0 | 0 | 106.8 | L1830 T2081 V2094 F2103 | L1830-V2097 HydrophobicContact CD1-CG1 4.18Å; L1830-V2097 HydrophobicContact CD1-CG2 3.93Å; T2081-V2097 HydrophobicContact CG2-CB 4.42Å; T2081-V2097 HydrophobicContact CG2-CG1 4.03Å; V2094-V2097 HydrophobicContact CB-CG2 4.2Å; V2094-V2097 HydrophobicContact CG1-CG2 3.74Å; V2097-F2103 HydrophobicContact CG1-CE1 4.31Å; V2097-F2103 HydrophobicContact CG2-CE1 4.15Å; V2097-F2103 HydrophobicContact CG2-CZ 4.02Å | ||
| 2098 | C | 61.7 | Low | 78.9 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 49% | 0.493 | 28% | 0.28 | S | S | . | . | trans | -81.9 | 167.6 | 165.2 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | D1827 S2100 | D1827-C2098 VanDerWaalsContact OD2-CB 3.29Å; D1827-C2098 WeakPolarHBondContact OD2-CB 3.23Å; D1827-C2098 PolarHBondContact OD2-N 2.74Å; C2098-S2100 PolarHBondContact O-N 2.75Å | ||
| 2099 | C | 59.7 | Low | 79.7 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 57% | 0.574 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 65 | -1.8 | 137.9 | -57.4 | 0 | 0 | 0 | 0 | 118 | D1827 | D1827-C2099 WeakPolarHBondContact OD1-CB 3.22Š|
| 2100 | S | 66.1 | Low | 79.9 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | trans | -142.5 | 139 | -175.7 | -167.4 | 0 | 0 | 0 | 0 | 111.3 | D1826 T2081 C2098 R2102 | D1826-S2100 PolarHBondContact N-OG 3.35Å; D1826-S2100 WeakPolarHBondContact OD2-CB 3.27Å; D1826-S2100 PolarHBondContact OD2-OG 3.38Å; T2081-S2100 VanDerWaalsContact CG2-O 3.26Å; T2081-S2100 WeakPolarHBondContact CG2-O 3.48Å; C2098-S2100 PolarHBondContact O-N 2.75Å; S2100-R2102 PolarHBondContact OG-O 3.44Å | ||
| 2101 | N | 67.8 | Low | 79.8 | Confident | 129 Ų | 129 | 56.9 Ų | 56.9 | 69% | 0.69 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -94.4 | -9.6 | -176.8 | -66.1 | -15.1 | 0 | 0 | 0 | 113.9 | T2079 K2080 T2081 | T2079-N2101 CarbonylContact C-O 3.53Å; K2080-N2101 CarbonylContact C-O 3.49Å; K2080-N2101 WeakPolarHBondContact CA-O 3.48Å; K2080-N2101 PolarHBondContact N-O 2.82Å; T2081-N2101 PolarHBondContact N-O 3.01Å |
| 2102 | R | 79.5 | Confident | 79.3 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 26% | 0.26 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -149.9 | 167.5 | -168.3 | 72.4 | -158.7 | -177.6 | -59.1 | -2.2 | 112.1 | D1826 A2078 S2100 | D1826-R2102 IonicContact OD1-NH1 3.94Å; D1826-R2102 IonicContact OD1-NH2 3.41Å; D1826-R2102 IonicContact OD2-CZ 2.74Å; D1826-R2102 IonicContact OD2-NH1 2.75Å; D1826-R2102 PolarHBondContact OD2-NH1 3.32Å; A2078-R2102 VanDerWaalsContact O-CB 3.29Å; A2078-R2102 WeakPolarHBondContact O-CB 3.47Å; A2078-R2102 WeakPolarHBondContact O-CD 3.2Å; S2100-R2102 PolarHBondContact OG-O 3.44Å |
| 2103 | F | 88.1 | Confident | 78.2 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | trans | -111.8 | 136.5 | 168.7 | -57.6 | -54 | 0 | 0 | 0 | 111.3 | L1823 T1824 L1830 S2063 T2076 T2081 V2094 V2097 | L1823-F2103 HydrophobicContact CB-CD1 4.13Å; L1823-F2103 HydrophobicContact CB-CE1 4.43Å; L1823-F2103 HydrophobicContact CB-CG 4.37Å; L1823-F2103 HydrophobicContact CD1-CD2 4.21Å; L1823-F2103 HydrophobicContact CD1-CE1 4.29Å; L1823-F2103 HydrophobicContact CD1-CE2 3.93Å; L1823-F2103 HydrophobicContact CD1-CZ 3.97Å; L1823-F2103 HydrophobicContact CD2-CB 4.32Å; L1823-F2103 HydrophobicContact CD2-CD2 4.06Å; L1823-F2103 HydrophobicContact CD2-CG 4.11Å; T1824-F2103 WeakPolarHBondContact O-CA 3.39Å; L1830-F2103 HydrophobicContact CD1-CE1 3.94Å; S2063-F2103 WeakPolarHBondContact CB-O 3Å; S2063-F2103 PolarHBondContact OG-O 3.32Å; T2076-F2103 HydrophobicContact CG2-CB 3.69Å; T2076-F2103 HydrophobicContact CG2-CD2 4.12Å; T2076-F2103 HydrophobicContact CG2-CG 4.35Å; T2081-F2103 VanDerWaalsContact C-CE2 3.42Å; T2081-F2103 HydrophobicContact CG2-CE1 4.46Å; T2081-F2103 HydrophobicContact CG2-CZ 4.26Å; V2094-F2103 HydrophobicContact CB-CE2 4.14Å; V2094-F2103 HydrophobicContact CB-CZ 3.81Å; V2094-F2103 HydrophobicContact CG1-CZ 4.17Å; V2094-F2103 HydrophobicContact CG2-CE2 3.71Å; V2094-F2103 HydrophobicContact CG2-CZ 3.83Å; V2097-F2103 HydrophobicContact CG1-CE1 4.31Å; V2097-F2103 HydrophobicContact CG2-CE1 4.15Å; V2097-F2103 HydrophobicContact CG2-CZ 4.02Å | ||
| 2104 | Q | 83.1 | Confident | 76.9 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -93.8 | -36.5 | -172.9 | -49.1 | 168.9 | -2.5 | 0 | 0 | 112.6 | T1824 D1826 G1854 | T1824-Q2104 PolarHBondContact O-N 2.89Å; T1824-Q2104 VanDerWaalsContact O-N 3.12Å; T1824-Q2104 WeakPolarHBondContact OG1-CB 3.47Å; D1826-Q2104 PolarHBondContact OD1-NE2 3.09Å; G1854-Q2104 PolarHBondContact O-NE2 2.88Å; G1854-Q2104 PolarHBondContact O-OE1 2.76Å; G1854-Q2104 VanDerWaalsContact O-OE1 3.04Å |
| 2105 | A | 89.4 | Confident | 75.3 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | trans | -140.2 | 154.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1824 M1858 | T1824-A2105 HydrophobicContact CG2-CB 4.19Å; T1824-A2105 PolarHBondContact N-O 3.09Å; T1824-A2105 VanDerWaalsContact N-O 3.17Å; T1824-A2105 PolarHBondContact OG1-N 2.83Å; M1858-A2105 HydrophobicContact CB-CB 4.27Å | ||
| 2106 | L | 91.6 | Very high | 74.4 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 134.8 | 177.5 | 176.8 | 152.8 | 0 | 0 | 0 | 109 | V1821 L1822 L1823 T2067 L2074 T2076 Y2083 | V1821-L2106 HydrophobicContact CG1-CD1 4.16Å; V1821-L2106 HydrophobicContact CG1-CG 4.21Å; L1822-L2106 WeakPolarHBondContact O-CA 2.99Å; L1823-L2106 HydrophobicContact CD2-CB 4.12Å; L1823-L2106 HydrophobicContact CD2-CD1 3.84Å; L1823-L2106 HydrophobicContact CD2-CG 4.1Å; T2067-L2106 HydrophobicContact CG2-CD2 3.42Å; T2067-L2106 VanDerWaalsContact CG2-CD2 3.42Å; L2074-L2106 HydrophobicContact CB-CD1 4.23Å; L2074-L2106 HydrophobicContact CB-CD2 3.83Å; L2074-L2106 HydrophobicContact CD1-CD2 4.46Å; T2076-L2106 HydrophobicContact CG2-CB 3.9Å; T2076-L2106 HydrophobicContact CG2-CD1 3.73Å; T2076-L2106 HydrophobicContact CG2-CG 4.44Å; Y2083-L2106 HydrophobicContact CG-CD1 4.33Å |
| 2107 | S | 90.2 | Very high | 74.2 | Confident | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.8 | 171.1 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | L1822 G1860 | L1822-S2107 PolarHBondContact N-O 2.94Å; L1822-S2107 PolarHBondContact O-N 2.98Å; G1860-S2107 PolarHBondContact N-OG 2.03Å; G1860-S2107 VanDerWaalsContact N-OG 3.16Å |
| 2108 | V | 87.5 | Confident | 74.7 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 146.2 | 168.3 | 172.6 | 0 | 0 | 0 | 0 | 109 | F1819 T1820 V1821 T2067 Y2069 L2074 | F1819-V2108 HydrophobicContact CB-CG1 4.2Å; F1819-V2108 HydrophobicContact CD2-CB 4.47Å; F1819-V2108 HydrophobicContact CD2-CG1 3.65Å; F1819-V2108 HydrophobicContact CD2-CG2 3.9Å; F1819-V2108 HydrophobicContact CE2-CG1 4.36Å; F1819-V2108 HydrophobicContact CE2-CG2 3.85Å; F1819-V2108 HydrophobicContact CG-CG1 4.15Å; T1820-V2108 CarbonylContact O-C 2.98Å; T1820-V2108 WeakPolarHBondContact O-CA 3.28Å; V1821-V2108 HydrophobicContact CG2-CG2 4.42Å; T2067-V2108 HydrophobicContact CG2-CB 4.4Å; T2067-V2108 HydrophobicContact CG2-CG2 3.87Å; Y2069-V2108 HydrophobicContact CD1-CG1 3.87Å; Y2069-V2108 HydrophobicContact CD2-CG1 3.97Å; Y2069-V2108 HydrophobicContact CE1-CG1 4.31Å; Y2069-V2108 HydrophobicContact CE2-CG1 4.42Å; Y2069-V2108 HydrophobicContact CG-CB 4.38Å; Y2069-V2108 HydrophobicContact CG-CG1 3.66Å; L2074-V2108 HydrophobicContact CD1-CG2 3.47Å; L2074-V2108 VanDerWaalsContact CD1-CG2 3.47Å |
| 2109 | L | 77.4 | Confident | 75.7 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.6 | 161.3 | -142.2 | 100.8 | 0 | 0 | 0 | 108.9 | T1820 Q1865 I1867 S1882 | T1820-L2109 PolarHBondContact O-N 2.84Å; Q1865-L2109 HydrophobicContact CB-CD2 4.41Å; I1867-L2109 HydrophobicContact CG2-CD1 3.7Å; S1882-L2109 WeakPolarHBondContact O-CD2 3.49Å; S1882-L2109 WeakPolarHBondContact OG-CD1 3.35Å; S1882-L2109 VanDerWaalsContact OG-CD2 3.27Å; S1882-L2109 WeakPolarHBondContact OG-CD2 3.18Å |
| 2110 | G | 73.1 | Confident | 77 | Confident | 22 Ų | 22 | 43 Ų | 43 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | trans | -171.5 | -177 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1862 Y2069 | C1862-G2110 WeakPolarHBondContact CB-O 3.29Å; Y2069-G2110 WeakPolarHBondContact OH-CA 3.18Å | ||
| 2111 | D | 74.7 | Confident | 77.9 | Confident | 100 Ų | 100 | 44.7 Ų | 44.7 | 54% | 0.535 | 26% | 0.263 | S | S | . | . | trans | -68.4 | 140.6 | -169.5 | -51.7 | -60.2 | 0 | 0 | 0 | 113.2 | Y2069 K2070 | Y2069-D2111 PolarHBondContact OH-N 2.04Å; Y2069-D2111 VanDerWaalsContact OH-N 3.16Å; K2070-D2111 IonicContact NZ-OD2 2.57Å | ||
| 2112 | C | 72.8 | Confident | 78.4 | Confident | 30 Ų | 30 | 46.7 Ų | 46.7 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | trans | -67.5 | 145.6 | 166.2 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | C1862 N1863 Q2114 | C1862-C2112 HydrophobicContact CB-CB 4.11Å; C1862-C2112 WeakPolarHBondContact CB-SG 3.04Å; C1862-C2112 WeakPolarHBondContact SG-CA 3.38Å; C1862-C2112 WeakPolarHBondContact SG-CB 3.04Å; C1862-C2112 CovalentContact SG-SG 2.04Å; C1862-C2112 PolarHBondContact SG-SG 2.78Å; N1863-C2112 PolarHBondContact N-SG 3.31Å; C2112-Q2114 PolarHBondContact O-N 2.83Å | ||
| 2113 | P | 65.8 | Low | 78.4 | Confident | 60 Ų | 60 | 48.3 Ų | 48.3 | 39% | 0.39 | 28% | 0.283 | S | S | . | . | trans | -56.2 | 114.1 | 172.8 | -25.9 | 35.2 | 0 | 0 | 0 | 112.1 | S2116 | P2113-S2116 PolarHBondContact O-N 3.05Å; P2113-S2116 PolarHBondContact O-OG 3.45Å | ||
| 2114 | Q | 59.3 | Low | 78.2 | Confident | 170 Ų | 170 | 50 Ų | 50 | 79% | 0.794 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 150.7 | -173.1 | -64.6 | -163.9 | 6.9 | 0 | 0 | 112.7 | C2112 S2116 | C2112-Q2114 PolarHBondContact O-N 2.83Å; Q2114-S2116 PolarHBondContact O-N 3.48Å |
| 2115 | A | 54.6 | Low | 78.1 | Confident | 101 Ų | 101 | 49.6 Ų | 49.6 | 84% | 0.835 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 12.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 2116 | S | 67.2 | Low | 77.7 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | trans | -83.2 | 132.5 | 168.5 | 62.3 | 0 | 0 | 0 | 0 | 112 | L1910 P2113 Q2114 | L1910-S2116 WeakPolarHBondContact CD2-O 3.13Å; P2113-S2116 PolarHBondContact O-N 3.05Å; P2113-S2116 PolarHBondContact O-OG 3.45Å; Q2114-S2116 PolarHBondContact O-N 3.48Å | ||
| 2117 | T | 74.7 | Confident | 77.3 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 44% | 0.436 | 33% | 0.329 | S | S | . | . | trans | -145.9 | 150.7 | 172.4 | 58 | 0 | 0 | 0 | 0 | 109.2 | T2121 Y2122 | T2117-T2121 HydrophobicContact CG2-CG2 4.47Å; T2117-Y2122 HydrophobicContact CG2-CE2 3.92Å | ||
| 2118 | N | 84.1 | Confident | 76.9 | Confident | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.032 | 36% | 0.356 | C | S | . | . | trans | -124.3 | 172.8 | 170.8 | 76.2 | 33 | 0 | 0 | 0 | 109.6 | D1908 L1910 S1959 C2120 T2121 P2133 | D1908-N2118 PolarHBondContact OD2-ND2 2.8Å; L1910-N2118 WeakPolarHBondContact CB-ND2 3.45Å; L1910-N2118 HydrophobicContact CD1-CB 4.43Å; S1959-N2118 WeakPolarHBondContact O-CB 3.34Å; S1959-N2118 PolarHBondContact O-ND2 2.94Å; N2118-C2120 PolarHBondContact O-N 2.04Å; N2118-C2120 VanDerWaalsContact O-N 3.15Å; N2118-C2120 WeakPolarHBondContact OD1-CA 3.39Å; N2118-C2120 WeakPolarHBondContact OD1-CB 3.19Å; N2118-C2120 PolarHBondContact OD1-N 2.78Å; N2118-T2121 PolarHBondContact N-OG1 2.81Å; N2118-T2121 VanDerWaalsContact N-OG1 3.07Å; N2118-T2121 WeakPolarHBondContact O-CB 3.25Å; N2118-T2121 PolarHBondContact O-N 2.77Å; N2118-T2121 PolarHBondContact O-OG1 2.76Å; N2118-T2121 PolarHBondContact OD1-N 3.1Å; N2118-T2121 PolarHBondContact OD1-OG1 3.22Å; N2118-P2133 HydrophobicContact CB-CB 4.47Å; N2118-P2133 HydrophobicContact CB-CG 4.35Å; N2118-P2133 VanDerWaalsContact ND2-CG 3.34Å; N2118-P2133 WeakPolarHBondContact ND2-CG 3.26Å | ||
| 2119 | P | 82.4 | Confident | 76.8 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 21% | 0.214 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -16.6 | -172.1 | -19.9 | 35.1 | 0 | 0 | 0 | 113 | G2125 G2137 R2140 | P2119-G2125 WeakPolarHBondContact O-CA 3.43Å; P2119-G2125 PolarHBondContact O-N 3.32Å; P2119-G2137 VanDerWaalsContact CD-O 3.25Å; P2119-G2137 WeakPolarHBondContact CD-O 3.44Å; P2119-G2137 WeakPolarHBondContact CG-O 3.24Å; P2119-R2140 HydrophobicContact CB-CB 4.14Å; P2119-R2140 HydrophobicContact CB-CG 4.28Å |
| 2120 | C | 88.4 | Confident | 77.4 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.02 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -26.4 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 113 | N2118 Y2122 N2124 G2125 C2131 P2133 | N2118-C2120 PolarHBondContact O-N 2.04Å; N2118-C2120 VanDerWaalsContact O-N 3.15Å; N2118-C2120 WeakPolarHBondContact OD1-CA 3.39Å; N2118-C2120 WeakPolarHBondContact OD1-CB 3.19Å; N2118-C2120 PolarHBondContact OD1-N 2.78Å; C2120-Y2122 VanDerWaalsContact C-N 3.26Å; C2120-Y2122 PolarHBondContact O-N 3.12Å; C2120-N2124 VanDerWaalsContact O-CA 3.24Å; C2120-N2124 WeakPolarHBondContact O-CA 3.07Å; C2120-N2124 PolarHBondContact O-N 2.78Å; C2120-G2125 PolarHBondContact O-N 3.25Å; C2120-C2131 WeakPolarHBondContact CA-SG 3.36Å; C2120-C2131 HydrophobicContact CB-CB 3.65Å; C2120-C2131 WeakPolarHBondContact CB-SG 3.17Å; C2120-C2131 WeakPolarHBondContact SG-CB 3.39Å; C2120-C2131 PolarHBondContact SG-O 3.5Å; C2120-C2131 VanDerWaalsContact SG-O 3.39Å; C2120-C2131 CovalentContact SG-SG 2.04Å; C2120-C2131 PolarHBondContact SG-SG 2.92Å; C2120-P2133 HydrophobicContact CB-CG 4.41Å |
| 2121 | T | 84.3 | Confident | 78.2 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 28% | 0.282 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -41 | 179.5 | -51 | 0 | 0 | 0 | 0 | 113.2 | L1910 T2117 N2118 | L1910-T2121 WeakPolarHBondContact O-CA 3.24Å; L1910-T2121 WeakPolarHBondContact O-CB 3.31Å; L1910-T2121 PolarHBondContact O-OG1 3.23Å; T2117-T2121 HydrophobicContact CG2-CG2 4.47Å; N2118-T2121 PolarHBondContact N-OG1 2.81Å; N2118-T2121 VanDerWaalsContact N-OG1 3.07Å; N2118-T2121 WeakPolarHBondContact O-CB 3.25Å; N2118-T2121 PolarHBondContact O-N 2.77Å; N2118-T2121 PolarHBondContact O-OG1 2.76Å; N2118-T2121 PolarHBondContact OD1-N 3.1Å; N2118-T2121 PolarHBondContact OD1-OG1 3.22Å |
| 2122 | Y | 77.4 | Confident | 79 | Confident | 170 Ų | 170 | 61 Ų | 61 | 67% | 0.667 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 116 | 179.7 | -66.9 | -69.6 | 0 | 0 | 0 | 111.9 | T2117 C2120 N2124 G2125 | T2117-Y2122 HydrophobicContact CG2-CE2 3.92Å; C2120-Y2122 VanDerWaalsContact C-N 3.26Å; C2120-Y2122 PolarHBondContact O-N 3.12Å; Y2122-N2124 PolarHBondContact O-N 2.91Å; Y2122-G2125 PolarHBondContact O-N 3.17Å; Y2122-G2125 VanDerWaalsContact O-N 3.08Å |
| 2123 | S | 80.2 | Confident | 79.8 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 72% | 0.72 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | 53.9 | 36.3 | 175.3 | -173.1 | 0 | 0 | 0 | 0 | 113.5 | G2125 R2126 | S2123-G2125 PolarHBondContact O-N 3.35Å; S2123-R2126 WeakPolarHBondContact O-CA 3.48Å; S2123-R2126 PolarHBondContact O-N 3.42Å |
| 2124 | N | 83.7 | Confident | 80.9 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | 54.9 | 33.5 | -177.9 | -163.5 | 47.9 | 0 | 0 | 0 | 112.8 | C2120 Y2122 R2126 C2127 Y2129 C2131 | C2120-N2124 VanDerWaalsContact O-CA 3.24Å; C2120-N2124 WeakPolarHBondContact O-CA 3.07Å; C2120-N2124 PolarHBondContact O-N 2.78Å; Y2122-N2124 PolarHBondContact O-N 2.91Å; N2124-R2126 PolarHBondContact O-N 3.11Å; N2124-C2127 PolarHBondContact ND2-O 3.26Å; N2124-C2127 VanDerWaalsContact O-CB 3.28Å; N2124-C2127 WeakPolarHBondContact O-CB 3.43Å; N2124-C2127 PolarHBondContact O-N 2.91Å; N2124-Y2129 PolarHBondContact ND2-O 2.03Å; N2124-C2131 VanDerWaalsContact O-CB 3.25Å; N2124-C2131 WeakPolarHBondContact O-CB 3.36Å; N2124-C2131 PolarHBondContact O-SG 2.82Å; N2124-C2131 VanDerWaalsContact OD1-CB 3.31Å; N2124-C2131 WeakPolarHBondContact OD1-CB 3.31Å |
| 2125 | G | 82.3 | Confident | 81.9 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | 62 | 15.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P2119 C2120 Y2122 S2123 C2127 R2140 | P2119-G2125 WeakPolarHBondContact O-CA 3.43Å; P2119-G2125 PolarHBondContact O-N 3.32Å; C2120-G2125 PolarHBondContact O-N 3.25Å; Y2122-G2125 PolarHBondContact O-N 3.17Å; Y2122-G2125 VanDerWaalsContact O-N 3.08Å; S2123-G2125 PolarHBondContact O-N 3.35Å; G2125-C2127 PolarHBondContact O-N 2.84Å; G2125-R2140 PolarHBondContact O-NE 3.32Å; G2125-R2140 VanDerWaalsContact O-NE 3.09Å; G2125-R2140 PolarHBondContact O-NH2 3.14Å; G2125-R2140 VanDerWaalsContact O-NH2 3.16Å |
| 2126 | R | 80.3 | Confident | 82.9 | Confident | 215 Ų | 215 | 48.9 Ų | 48.9 | 81% | 0.811 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | 67.3 | 5 | -164.4 | -52.7 | -177.5 | -179.8 | -178.8 | 0 | 115.6 | S2123 N2124 | S2123-R2126 WeakPolarHBondContact O-CA 3.48Å; S2123-R2126 PolarHBondContact O-N 3.42Å; N2124-R2126 PolarHBondContact O-N 3.11Å |
| 2127 | C | 83.5 | Confident | 83.2 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | trans | -66 | 136.7 | 174.6 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | N2124 G2125 Y2129 C2131 C2142 E2154 | N2124-C2127 PolarHBondContact ND2-O 3.26Å; N2124-C2127 VanDerWaalsContact O-CB 3.28Å; N2124-C2127 WeakPolarHBondContact O-CB 3.43Å; N2124-C2127 PolarHBondContact O-N 2.91Å; G2125-C2127 PolarHBondContact O-N 2.84Å; C2127-Y2129 VanDerWaalsContact C-N 3.34Å; C2127-Y2129 PolarHBondContact O-N 2.96Å; C2127-C2131 HydrophobicContact CB-CB 3.96Å; C2127-C2131 VanDerWaalsContact SG-SG 3.65Å; C2127-C2142 WeakPolarHBondContact CA-SG 3.48Å; C2127-C2142 HydrophobicContact CB-CB 3.53Å; C2127-C2142 WeakPolarHBondContact CB-SG 3.15Å; C2127-C2142 WeakPolarHBondContact SG-CA 3.36Å; C2127-C2142 WeakPolarHBondContact SG-CB 3.03Å; C2127-C2142 CovalentContact SG-SG 2.03Å; C2127-C2142 PolarHBondContact SG-SG 2.9Å; C2127-E2154 WeakPolarHBondContact CA-OE2 3.24Å | ||
| 2128 | R | 80.2 | Confident | 83.4 | Confident | 164 Ų | 164 | 55.8 Ų | 55.8 | 62% | 0.619 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -64.5 | -35.1 | -179.7 | -176.6 | 174.5 | 157.8 | 173.5 | -12 | 113.6 | E2154 | R2128-E2154 PolarHBondContact N-OE2 3.37Š|
| 2129 | Y | 86.2 | Confident | 83.3 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 11% | 0.114 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -117.8 | -92 | -172.2 | -67.6 | -76.1 | 0 | 0 | 0 | 113.5 | K1931 I1934 N2124 C2127 P2145 E2148 | K1931-Y2129 PolarHBondContact NZ-O 2.85Å; K1931-Y2129 VanDerWaalsContact NZ-O 3.16Å; I1934-Y2129 HydrophobicContact CD1-CD1 4.1Å; N2124-Y2129 PolarHBondContact ND2-O 2.03Å; C2127-Y2129 VanDerWaalsContact C-N 3.34Å; C2127-Y2129 PolarHBondContact O-N 2.96Å; Y2129-P2145 HydrophobicContact CD1-CG 3.48Å; Y2129-P2145 VanDerWaalsContact CD1-CG 3.48Å; Y2129-P2145 HydrophobicContact CD2-CG 4.41Å; Y2129-P2145 HydrophobicContact CE1-CG 4.1Å; Y2129-P2145 VanDerWaalsContact CG-CD 3.49Å; Y2129-P2145 HydrophobicContact CG-CG 3.67Å; Y2129-E2148 WeakPolarHBondContact CE1-OE1 3.41Å; Y2129-E2148 WeakPolarHBondContact CE2-OE2 3.39Å; Y2129-E2148 VanDerWaalsContact CZ-CD 3.4Å; Y2129-E2148 PolarHBondContact OH-OE1 3.11Å; Y2129-E2148 PolarHBondContact OH-OE2 3.17Å |
| 2130 | I | 89.2 | Confident | 83.6 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136.2 | 176.7 | -65.4 | 167 | 0 | 0 | 0 | 108.1 | I1934 L2132 V2143 | I1934-I2130 HydrophobicContact CG2-CD1 3.73Å; I1934-I2130 HydrophobicContact CG2-CG1 3.7Å; I2130-L2132 HydrophobicContact CG2-CD2 3.76Å; I2130-L2132 HydrophobicContact CG2-CG 4.14Å; I2130-V2143 HydrophobicContact CB-CG2 3.63Å; I2130-V2143 HydrophobicContact CG2-CG2 3.71Å; I2130-V2143 PolarHBondContact N-O 2.78Å; I2130-V2143 PolarHBondContact O-N 3.03Å |
| 2131 | C | 90.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.1 | 173 | -177 | 0 | 0 | 0 | 0 | 108.9 | N1913 C2120 N2124 C2127 | N1913-C2131 PolarHBondContact ND2-O 3.48Å; C2120-C2131 WeakPolarHBondContact CA-SG 3.36Å; C2120-C2131 HydrophobicContact CB-CB 3.65Å; C2120-C2131 WeakPolarHBondContact CB-SG 3.17Å; C2120-C2131 WeakPolarHBondContact SG-CB 3.39Å; C2120-C2131 PolarHBondContact SG-O 3.5Å; C2120-C2131 VanDerWaalsContact SG-O 3.39Å; C2120-C2131 CovalentContact SG-SG 2.04Å; C2120-C2131 PolarHBondContact SG-SG 2.92Å; N2124-C2131 VanDerWaalsContact O-CB 3.25Å; N2124-C2131 WeakPolarHBondContact O-CB 3.36Å; N2124-C2131 PolarHBondContact O-SG 2.82Å; N2124-C2131 VanDerWaalsContact OD1-CB 3.31Å; N2124-C2131 WeakPolarHBondContact OD1-CB 3.31Å; C2127-C2131 HydrophobicContact CB-CB 3.96Å; C2127-C2131 VanDerWaalsContact SG-SG 3.65Å |
| 2132 | L | 92.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.4 | 175.6 | -57.4 | 178.2 | 0 | 0 | 0 | 108.7 | F1915 V1926 Y1936 I2130 N2134 R2140 T2141 V2143 | F1915-L2132 HydrophobicContact CZ-CD2 4.17Å; V1926-L2132 HydrophobicContact CG1-CD2 4.09Å; Y1936-L2132 HydrophobicContact CD1-CD1 4.16Å; Y1936-L2132 HydrophobicContact CE1-CD1 3.98Å; I2130-L2132 HydrophobicContact CG2-CD2 3.76Å; I2130-L2132 HydrophobicContact CG2-CG 4.14Å; L2132-N2134 PolarHBondContact O-OD1 2.95Å; L2132-N2134 VanDerWaalsContact O-OD1 3.13Å; L2132-R2140 CarbonylContact O-C 3.58Å; L2132-R2140 WeakPolarHBondContact O-CA 3.4Å; L2132-R2140 WeakPolarHBondContact O-CB 3.02Å; L2132-T2141 PolarHBondContact N-O 3.2Å; L2132-T2141 PolarHBondContact O-N 3.37Å; L2132-V2143 HydrophobicContact CD1-CG1 3.8Å; L2132-V2143 HydrophobicContact CD1-CG2 3.96Å; L2132-V2143 HydrophobicContact CG-CG1 4.45Å; L2132-V2143 HydrophobicContact CG-CG2 4.2Å |
| 2133 | P | 90.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 143 | 173 | -20.5 | 32.7 | 0 | 0 | 0 | 111.7 | M1984 N2118 C2120 | M1984-P2133 WeakPolarHBondContact CB-O 3.04Å; M1984-P2133 HydrophobicContact CE-CG 4.25Å; M1984-P2133 HydrophobicContact SD-CB 4.24Å; M1984-P2133 HydrophobicContact SD-CG 3.95Å; N2118-P2133 HydrophobicContact CB-CB 4.47Å; N2118-P2133 HydrophobicContact CB-CG 4.35Å; N2118-P2133 VanDerWaalsContact ND2-CG 3.34Å; N2118-P2133 WeakPolarHBondContact ND2-CG 3.26Å; C2120-P2133 HydrophobicContact CB-CG 4.41Å |
| 2134 | N | 87.4 | Confident | 84.4 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | trans | -107.4 | 170.5 | 175.5 | -58.3 | 7.9 | 0 | 0 | 0 | 110.3 | S1985 L2132 G2137 S2139 R2140 T2141 | S1985-N2134 PolarHBondContact OG-OD1 3.36Å; L2132-N2134 PolarHBondContact O-OD1 2.95Å; L2132-N2134 VanDerWaalsContact O-OD1 3.13Å; N2134-G2137 PolarHBondContact O-N 3.2Å; N2134-G2137 VanDerWaalsContact O-N 3.16Å; N2134-S2139 WeakPolarHBondContact CB-OG 3.01Å; N2134-S2139 PolarHBondContact N-O 3.32Å; N2134-R2140 WeakPolarHBondContact OD1-CA 3.36Å; N2134-T2141 PolarHBondContact ND2-OG1 3.06Å; N2134-T2141 PolarHBondContact OD1-N 2.91Å; N2134-T2141 PolarHBondContact OD1-OG1 2.76Å | ||
| 2135 | D | 80.9 | Confident | 84.5 | Confident | 45 Ų | 45 | 47.3 Ų | 47.3 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -41.4 | 134.9 | -176.2 | -73.9 | -51.2 | 0 | 0 | 0 | 115 | L1961 L1963 N1988 R2045 G2137 | L1961-D2135 CarbonylContact O-C 3.49Å; L1963-D2135 WeakPolarHBondContact CD2-OD1 3.11Å; N1988-D2135 WeakPolarHBondContact CB-OD2 3.25Å; N1988-D2135 PolarHBondContact ND2-OD2 2.96Å; R2045-D2135 IonicContact CZ-OD1 3.52Å; R2045-D2135 VanDerWaalsContact CZ-OD1 3.29Å; R2045-D2135 IonicContact NE-OD1 3.87Å; R2045-D2135 PolarHBondContact NE-OD1 2.04Å; R2045-D2135 IonicContact NH2-OD1 2.81Å; R2045-D2135 PolarHBondContact NH2-OD1 2.02Å; R2045-D2135 IonicContact NH2-OD2 3.82Å; R2045-D2135 PolarHBondContact NH2-OD2 2.68Å; D2135-G2137 PolarHBondContact O-N 3.49Å |
| 2136 | G | 76.6 | Confident | 84.5 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | 71.5 | 12.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1961 R2138 | L1961-G2136 PolarHBondContact O-N 3.13Å; G2136-R2138 WeakPolarHBondContact O-CG 3.43Å; G2136-R2138 PolarHBondContact O-N 2.78Å; G2136-R2138 VanDerWaalsContact O-N 3.15Å |
| 2137 | G | 72.5 | Confident | 84.4 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | 65.5 | 17.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T1960 L1961 P2119 N2134 D2135 | T1960-G2137 WeakPolarHBondContact O-CA 3.09Å; L1961-G2137 PolarHBondContact O-N 2.9Å; P2119-G2137 VanDerWaalsContact CD-O 3.25Å; P2119-G2137 WeakPolarHBondContact CD-O 3.44Å; P2119-G2137 WeakPolarHBondContact CG-O 3.24Å; N2134-G2137 PolarHBondContact O-N 3.2Å; N2134-G2137 VanDerWaalsContact O-N 3.16Å; D2135-G2137 PolarHBondContact O-N 3.49Å |
| 2138 | R | 78.3 | Confident | 83.9 | Confident | 229 Ų | 229 | 46.7 Ų | 46.7 | 86% | 0.864 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -116 | -13.5 | -173.2 | -72.2 | 173.5 | -170 | -171 | 4 | 114.9 | G2136 | G2136-R2138 WeakPolarHBondContact O-CG 3.43Å; G2136-R2138 PolarHBondContact O-N 2.78Å; G2136-R2138 VanDerWaalsContact O-N 3.15Å |
| 2139 | S | 83.6 | Confident | 82.9 | Confident | 57 Ų | 57 | 45 Ų | 45 | 40% | 0.399 | 24% | 0.239 | S | C | . | . | trans | -132.3 | 171.7 | 173.9 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | N2134 | N2134-S2139 WeakPolarHBondContact CB-OG 3.01Å; N2134-S2139 PolarHBondContact N-O 3.32Å | ||
| 2140 | R | 88.2 | Confident | 81.7 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 145.5 | -173.6 | 73.2 | -60.8 | 177.7 | -122.4 | -8.8 | 110.7 | P2119 G2125 L2132 N2134 | P2119-R2140 HydrophobicContact CB-CB 4.14Å; P2119-R2140 HydrophobicContact CB-CG 4.28Å; G2125-R2140 PolarHBondContact O-NE 3.32Å; G2125-R2140 VanDerWaalsContact O-NE 3.09Å; G2125-R2140 PolarHBondContact O-NH2 3.14Å; G2125-R2140 VanDerWaalsContact O-NH2 3.16Å; L2132-R2140 CarbonylContact O-C 3.58Å; L2132-R2140 WeakPolarHBondContact O-CA 3.4Å; L2132-R2140 WeakPolarHBondContact O-CB 3.02Å; N2134-R2140 WeakPolarHBondContact OD1-CA 3.36Å |
| 2141 | T | 88.4 | Confident | 80.6 | Confident | 27 Ų | 27 | 48 Ų | 48 | 17% | 0.166 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.7 | 173.4 | -67.7 | 0 | 0 | 0 | 0 | 109.1 | E1987 L2132 N2134 V2143 | E1987-T2141 PolarHBondContact OE2-OG1 3.11Å; L2132-T2141 PolarHBondContact N-O 3.2Å; L2132-T2141 PolarHBondContact O-N 3.37Å; N2134-T2141 PolarHBondContact ND2-OG1 3.06Å; N2134-T2141 PolarHBondContact OD1-N 2.91Å; N2134-T2141 PolarHBondContact OD1-OG1 2.76Å; T2141-V2143 HydrophobicContact CG2-CG1 3.87Å |
| 2142 | C | 86.8 | Confident | 79.2 | Confident | 10 Ų | 10 | 56 Ų | 56 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 114.6 | 175.1 | -61.1 | 0 | 0 | 0 | 0 | 109.2 | C2127 E2154 | C2127-C2142 WeakPolarHBondContact CA-SG 3.48Å; C2127-C2142 HydrophobicContact CB-CB 3.53Å; C2127-C2142 WeakPolarHBondContact CB-SG 3.15Å; C2127-C2142 WeakPolarHBondContact SG-CA 3.36Å; C2127-C2142 WeakPolarHBondContact SG-CB 3.03Å; C2127-C2142 CovalentContact SG-SG 2.03Å; C2127-C2142 PolarHBondContact SG-SG 2.9Å; C2142-E2154 HydrophobicContact CB-CB 4Å |
| 2143 | V | 87.5 | Confident | 77.7 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 143.5 | -177.9 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | Y1936 I2130 L2132 T2141 | Y1936-V2143 HydrophobicContact CD1-CB 4.14Å; Y1936-V2143 HydrophobicContact CD1-CG1 4.39Å; Y1936-V2143 HydrophobicContact CD1-CG2 3.63Å; Y1936-V2143 HydrophobicContact CD2-CB 4.03Å; Y1936-V2143 HydrophobicContact CD2-CG2 4.06Å; Y1936-V2143 HydrophobicContact CE1-CB 4.07Å; Y1936-V2143 HydrophobicContact CE1-CG1 3.9Å; Y1936-V2143 HydrophobicContact CE1-CG2 4.01Å; Y1936-V2143 HydrophobicContact CE2-CB 3.95Å; Y1936-V2143 HydrophobicContact CE2-CG1 4.31Å; Y1936-V2143 HydrophobicContact CE2-CG2 4.4Å; Y1936-V2143 HydrophobicContact CG-CB 4.1Å; Y1936-V2143 HydrophobicContact CG-CG2 3.63Å; I2130-V2143 HydrophobicContact CB-CG2 3.63Å; I2130-V2143 HydrophobicContact CG2-CG2 3.71Å; I2130-V2143 PolarHBondContact N-O 2.78Å; I2130-V2143 PolarHBondContact O-N 3.03Å; L2132-V2143 HydrophobicContact CD1-CG1 3.8Å; L2132-V2143 HydrophobicContact CD1-CG2 3.96Å; L2132-V2143 HydrophobicContact CG-CG1 4.45Å; L2132-V2143 HydrophobicContact CG-CG2 4.2Å; T2141-V2143 HydrophobicContact CG2-CG1 3.87Å |
| 2144 | C | 83.6 | Confident | 76 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 12% | 0.122 | 36% | 0.359 | C | S | . | . | trans | -79.4 | 149.3 | 173.8 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | Y1936 C2151 H2152 | Y1936-C2144 VanDerWaalsContact CD2-O 3.23Å; Y1936-C2144 WeakPolarHBondContact CD2-O 3.01Å; C2144-C2151 HydrophobicContact CB-CB 3.53Å; C2144-C2151 WeakPolarHBondContact CB-SG 3.04Å; C2144-C2151 WeakPolarHBondContact SG-CB 3.27Å; C2144-C2151 PolarHBondContact SG-O 2.84Å; C2144-C2151 CovalentContact SG-SG 2.04Å; C2144-C2151 PolarHBondContact SG-SG 2.83Å; C2144-H2152 VanDerWaalsContact SG-C 3.59Å | ||
| 2145 | P | 85.3 | Confident | 73.9 | Confident | 4 Ų | 4 | 77.7 Ų | 77.7 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | trans | -66 | 148.3 | 171 | -15.5 | 29.8 | 0 | 0 | 0 | 111.3 | I1934 H1935 Y2129 N2147 E2148 | I1934-P2145 HydrophobicContact CG1-CG 4.18Å; I1934-P2145 HydrophobicContact CG2-CB 4.19Å; I1934-P2145 HydrophobicContact CG2-CG 3.88Å; H1935-P2145 VanDerWaalsContact O-CA 3.31Å; H1935-P2145 WeakPolarHBondContact O-CA 3.33Å; Y2129-P2145 HydrophobicContact CD1-CG 3.48Å; Y2129-P2145 VanDerWaalsContact CD1-CG 3.48Å; Y2129-P2145 HydrophobicContact CD2-CG 4.41Å; Y2129-P2145 HydrophobicContact CE1-CG 4.1Å; Y2129-P2145 VanDerWaalsContact CG-CD 3.49Å; Y2129-P2145 HydrophobicContact CG-CG 3.67Å; P2145-N2147 VanDerWaalsContact CB-OD1 3.27Å; P2145-N2147 WeakPolarHBondContact CB-OD1 3.45Å; P2145-N2147 PolarHBondContact O-N 2.84Å; P2145-N2147 VanDerWaalsContact O-N 3.12Å; P2145-E2148 PolarHBondContact O-N 2.9Å | ||
| 2146 | D | 84.3 | Confident | 73.5 | Confident | 61 Ų | 61 | 79.4 Ų | 79.4 | 33% | 0.326 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -26.7 | 178.3 | -59.6 | -23.3 | 0 | 0 | 0 | 112.1 | H1935 Y1936 T1937 | H1935-D2146 IonicContact CD2-OD2 2.7Å; H1935-D2146 PolarHBondContact O-N 3.08Å; Y1936-D2146 WeakPolarHBondContact CA-OD1 3.3Å; Y1936-D2146 WeakPolarHBondContact CA-OD2 3.23Å; T1937-D2146 WeakPolarHBondContact CB-OD2 3.32Å; T1937-D2146 PolarHBondContact N-OD1 3.09Å; T1937-D2146 PolarHBondContact N-OD2 3.34Å; T1937-D2146 PolarHBondContact OG1-OD2 3.01Å |
| 2147 | N | 77.7 | Confident | 73.4 | Confident | 88 Ų | 88 | 81.4 Ų | 81.4 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.5 | 178.6 | 63.9 | 11.5 | 0 | 0 | 0 | 115.3 | N1933 P2145 P2149 | N1933-N2147 PolarHBondContact O-ND2 3.41Å; P2145-N2147 VanDerWaalsContact CB-OD1 3.27Å; P2145-N2147 WeakPolarHBondContact CB-OD1 3.45Å; P2145-N2147 PolarHBondContact O-N 2.84Å; P2145-N2147 VanDerWaalsContact O-N 3.12Å; N2147-P2149 VanDerWaalsContact C-CD 3.43Å; N2147-P2149 WeakPolarHBondContact O-CD 3.46Å |
| 2148 | E | 72.4 | Confident | 73.4 | Confident | 67 Ų | 67 | 85.2 Ų | 85.2 | 31% | 0.313 | 44% | 0.439 | S | S | . | . | trans | -117.1 | 72.6 | 167.3 | -75 | -161.5 | -174.1 | 0 | 0 | 112.3 | Y2129 P2145 G2150 C2151 | Y2129-E2148 WeakPolarHBondContact CE1-OE1 3.41Å; Y2129-E2148 WeakPolarHBondContact CE2-OE2 3.39Å; Y2129-E2148 VanDerWaalsContact CZ-CD 3.4Å; Y2129-E2148 PolarHBondContact OH-OE1 3.11Å; Y2129-E2148 PolarHBondContact OH-OE2 3.17Å; P2145-E2148 PolarHBondContact O-N 2.9Å; E2148-G2150 PolarHBondContact O-N 3.05Å; E2148-C2151 HydrophobicContact CB-CB 3.98Å; E2148-C2151 VanDerWaalsContact O-CB 3.28Å; E2148-C2151 WeakPolarHBondContact O-CB 3.42Å; E2148-C2151 PolarHBondContact O-N 3.14Å | ||
| 2149 | P | 59.9 | Low | 73.1 | Confident | 129 Ų | 129 | 76.8 Ų | 76.8 | 84% | 0.838 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -8.2 | 177.2 | 26.7 | -35.8 | 0 | 0 | 0 | 114.5 | N2147 | N2147-P2149 VanDerWaalsContact C-CD 3.43Å; N2147-P2149 WeakPolarHBondContact O-CD 3.46Å |
| 2150 | G | 60.2 | Low | 72.5 | Confident | 68 Ų | 68 | 78 Ų | 78 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E2148 | E2148-G2150 PolarHBondContact O-N 3.05Š|
| 2151 | C | 66.8 | Low | 71.4 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 19% | 0.189 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 128.6 | 174.6 | 172.4 | 0 | 0 | 0 | 0 | 109.9 | C2144 E2148 | C2144-C2151 HydrophobicContact CB-CB 3.53Å; C2144-C2151 WeakPolarHBondContact CB-SG 3.04Å; C2144-C2151 WeakPolarHBondContact SG-CB 3.27Å; C2144-C2151 PolarHBondContact SG-O 2.84Å; C2144-C2151 CovalentContact SG-SG 2.04Å; C2144-C2151 PolarHBondContact SG-SG 2.83Å; E2148-C2151 HydrophobicContact CB-CB 3.98Å; E2148-C2151 VanDerWaalsContact O-CB 3.28Å; E2148-C2151 WeakPolarHBondContact O-CB 3.42Å; E2148-C2151 PolarHBondContact O-N 3.14Å |
| 2152 | H | 61.3 | Low | 70.2 | Confident | 168 Ų | 168 | 80.1 Ų | 80.1 | 78% | 0.778 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -91.9 | 133.3 | 169.9 | -61.1 | -43.8 | 0 | 0 | 0 | 109.2 | C2144 E2154 | C2144-H2152 VanDerWaalsContact SG-C 3.59Å; H2152-E2154 PolarHBondContact O-N 3.49Å |
| 2153 | K | 59.4 | Low | 68.9 | Low | 123 Ų | 123 | 85.5 Ų | 85.5 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 127.7 | 172.6 | -79.7 | -174.1 | 173.3 | 179.7 | 0 | 109.7 | M2155 | K2153-M2155 PolarHBondContact O-N 3.46Š|
| 2154 | E | 54.1 | Low | 67.4 | Low | 96 Ų | 96 | 92.3 Ų | 92.3 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | trans | -74.8 | 110.7 | 178.2 | -62.2 | 177.1 | 130.6 | 0 | 0 | 108.6 | C2127 R2128 C2142 H2152 | C2127-E2154 WeakPolarHBondContact CA-OE2 3.24Å; R2128-E2154 PolarHBondContact N-OE2 3.37Å; C2142-E2154 HydrophobicContact CB-CB 4Å; H2152-E2154 PolarHBondContact O-N 3.49Å | ||
| 2155 | M | 43.5 | Very low | 65.9 | Low | 257 Ų | 257 | 99 Ų | 99 | 100% | 1.266 | 54% | 0.536 | S | S | * | . | trans | -78 | 0 | 176.2 | -72 | -176.5 | 169.6 | 0 | 0 | 112.5 | K2153 | K2153-M2155 PolarHBondContact O-N 3.46Š|
Retrieved 2,155 of 2,155 residues in 655.2 ms
(Link to these results)