| 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 | C | 55.6 | Low | 66.3 | Low | 122 Ų | 122 | 100.4 Ų | 100.4 | 82% | 0.824 | 56% | 0.557 | S | S | * | * | 0 | 168.7 | 0 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | E10 | C1-E10 PolarHBondContact N-O 3.18Š| |||
| 2 | V | 63.9 | Low | 66.5 | Low | 150 Ų | 150 | 94.3 Ų | 94.3 | 91% | 0.909 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -94 | 120.6 | 163.8 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | ||
| 3 | C | 65.2 | Low | 66.4 | Low | 42 Ų | 42 | 94.5 Ų | 94.5 | 28% | 0.284 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 146.2 | -174.5 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | W7 C12 | C3-W7 HydrophobicContact CB-CB 4.3Å; C3-W7 WeakPolarHBondContact CB-O 3.32Å; C3-C12 WeakPolarHBondContact CA-SG 3.18Å; C3-C12 HydrophobicContact CB-CB 3.77Å; C3-C12 WeakPolarHBondContact CB-SG 3.27Å; C3-C12 WeakPolarHBondContact SG-CA 3.06Å; C3-C12 WeakPolarHBondContact SG-CB 3.15Å; C3-C12 CovalentContact SG-SG 2.03Å; C3-C12 PolarHBondContact SG-SG 2.61Å |
| 4 | T | 67.8 | Low | 66.3 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 153 | 166.7 | 43.8 | 0 | 0 | 0 | 0 | 110.2 | G6 W7 | T4-G6 PolarHBondContact O-N 3.31Å; T4-W7 PolarHBondContact O-N 2.85Å; T4-W7 VanDerWaalsContact O-N 3.15Å |
| 5 | L | 64.3 | Low | 66.2 | Low | 143 Ų | 143 | 87.7 Ų | 87.7 | 75% | 0.749 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 136.6 | 177.7 | -75.4 | 158.5 | 0 | 0 | 0 | 111.1 | L20 | L5-L20 HydrophobicContact CB-CB 4.47Š|
| 6 | G | 67.4 | Low | 66.2 | Low | 9 Ų | 9 | 84.9 Ų | 84.9 | 9% | 0.093 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -11.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | T4 G16 D17 | T4-G6 PolarHBondContact O-N 3.31Å; G6-G16 WeakPolarHBondContact O-CA 3.29Å; G6-G16 PolarHBondContact O-N 2.98Å; G6-D17 WeakPolarHBondContact CA-O 3.44Å; G6-D17 PolarHBondContact O-N 3.06Å; G6-D17 VanDerWaalsContact O-N 3.12Å |
| 7 | W | 71.3 | Confident | 66.4 | Low | 89 Ų | 89 | 83.1 Ų | 83.1 | 34% | 0.337 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142 | -177.9 | -63.4 | 81.7 | 0 | 0 | 0 | 113.2 | C3 T4 V15 I21 | C3-W7 HydrophobicContact CB-CB 4.3Å; C3-W7 WeakPolarHBondContact CB-O 3.32Å; T4-W7 PolarHBondContact O-N 2.85Å; T4-W7 VanDerWaalsContact O-N 3.15Å; W7-V15 HydrophobicContact CE3-CG2 4.18Å; W7-V15 HydrophobicContact CH2-CG2 3.92Å; W7-V15 HydrophobicContact CZ3-CG2 3.72Å; W7-I21 HydrophobicContact CD2-CD1 4.19Å; W7-I21 HydrophobicContact CG-CD1 4.41Å; W7-I21 HydrophobicContact CZ2-CD1 3.85Å; W7-I21 HydrophobicContact CZ2-CG2 4.39Å |
| 8 | I | 67.4 | Low | 66.4 | Low | 96 Ų | 96 | 78.6 Ų | 78.6 | 49% | 0.492 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 165 | -173.3 | 61.9 | 173.6 | 0 | 0 | 0 | 113.3 | C12 Q13 H14 | I8-C12 CarbonylContact O-C 3.59Å; I8-Q13 PolarHBondContact O-N 3.17Å; I8-H14 HydrophobicContact CG1-CB 4Å; I8-H14 PolarHBondContact N-O 3.14Å; I8-H14 PolarHBondContact O-N 2.76Å |
| 9 | G | 64.9 | Low | 66.5 | Low | 37 Ų | 37 | 75.7 Ų | 75.7 | 38% | 0.381 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 103.4 | 160.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F11 C12 | G9-F11 PolarHBondContact O-N 2.84Å; G9-F11 VanDerWaalsContact O-N 3.12Å; G9-C12 PolarHBondContact O-N 2.71Å |
| 10 | E | 70.1 | Confident | 66.5 | Low | 159 Ų | 159 | 76.6 Ų | 76.6 | 74% | 0.743 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -33.3 | -175.1 | -75.6 | -164.6 | 121 | 0 | 0 | 114.1 | C1 | C1-E10 PolarHBondContact N-O 3.18Š|
| 11 | F | 70.9 | Confident | 66.6 | Low | 151 Ų | 151 | 75.5 Ų | 75.5 | 66% | 0.662 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 14.3 | 178.2 | -52.4 | -80 | 0 | 0 | 0 | 112.9 | G9 Q13 | G9-F11 PolarHBondContact O-N 2.84Å; G9-F11 VanDerWaalsContact O-N 3.12Å; F11-Q13 VanDerWaalsContact C-N 3.29Å; F11-Q13 VanDerWaalsContact C-OE1 3.31Å; F11-Q13 PolarHBondContact O-N 2.95Å |
| 12 | C | 68.9 | Low | 66.9 | Low | 27 Ų | 27 | 74.3 Ų | 74.3 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | S | Bend | trans | 61.3 | 30.5 | -176.5 | -46.8 | 0 | 0 | 0 | 0 | 114.6 | C3 I8 G9 | C3-C12 WeakPolarHBondContact CA-SG 3.18Å; C3-C12 HydrophobicContact CB-CB 3.77Å; C3-C12 WeakPolarHBondContact CB-SG 3.27Å; C3-C12 WeakPolarHBondContact SG-CA 3.06Å; C3-C12 WeakPolarHBondContact SG-CB 3.15Å; C3-C12 CovalentContact SG-SG 2.03Å; C3-C12 PolarHBondContact SG-SG 2.61Å; I8-C12 CarbonylContact O-C 3.59Å; G9-C12 PolarHBondContact O-N 2.71Å |
| 13 | Q | 66.1 | Low | 66.4 | Low | 97 Ų | 97 | 72 Ų | 72 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | trans | -89.8 | -3.8 | -170.3 | 75.9 | -76.7 | -1.5 | 0 | 0 | 115.5 | I8 F11 | I8-Q13 PolarHBondContact O-N 3.17Å; F11-Q13 VanDerWaalsContact C-N 3.29Å; F11-Q13 VanDerWaalsContact C-OE1 3.31Å; F11-Q13 PolarHBondContact O-N 2.95Å | ||
| 14 | H | 64 | Low | 66 | Low | 69 Ų | 69 | 76.7 Ų | 76.7 | 32% | 0.319 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.4 | 178.5 | -58.1 | -75.1 | 0 | 0 | 0 | 110.6 | I8 P38 | I8-H14 HydrophobicContact CG1-CB 4Å; I8-H14 PolarHBondContact N-O 3.14Å; I8-H14 PolarHBondContact O-N 2.76Å; H14-P38 PolarHBondContact ND1-O 3.39Å; H14-P38 VanDerWaalsContact ND1-O 3.12Å |
| 15 | V | 65.6 | Low | 65.7 | Low | 19 Ų | 19 | 73.5 Ų | 73.5 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 128.7 | 171.9 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | W7 I21 P42 | W7-V15 HydrophobicContact CE3-CG2 4.18Å; W7-V15 HydrophobicContact CH2-CG2 3.92Å; W7-V15 HydrophobicContact CZ3-CG2 3.72Å; V15-I21 HydrophobicContact CG1-CD1 3.89Å; V15-I21 HydrophobicContact CG2-CD1 4.45Å; V15-P42 HydrophobicContact CG1-CB 4.44Å |
| 16 | G | 66.2 | Low | 65.6 | Low | 42 Ų | 42 | 68 Ų | 68 | 43% | 0.433 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -102.1 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G6 | G6-G16 WeakPolarHBondContact O-CA 3.29Å; G6-G16 PolarHBondContact O-N 2.98Å |
| 17 | D | 69.6 | Low | 65.4 | Low | 55 Ų | 55 | 71.5 Ų | 71.5 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | trans | -154.2 | 115.3 | 174.1 | -176.2 | -10.2 | 0 | 0 | 0 | 109.6 | G6 C19 L20 S34 | G6-D17 WeakPolarHBondContact CA-O 3.44Å; G6-D17 PolarHBondContact O-N 3.06Å; G6-D17 VanDerWaalsContact O-N 3.12Å; D17-C19 VanDerWaalsContact C-N 3.32Å; D17-C19 PolarHBondContact O-N 3.1Å; D17-C19 WeakPolarHBondContact OD1-CB 3.4Å; D17-C19 PolarHBondContact OD1-N 2.99Å; D17-L20 HydrophobicContact CB-CD1 4.17Å; D17-L20 HydrophobicContact CB-CG 4.32Å; D17-L20 PolarHBondContact O-N 3.44Å; D17-S34 WeakPolarHBondContact OD1-CB 3Å | ||
| 18 | A | 66.2 | Low | 64.8 | Low | 2 Ų | 2 | 71.9 Ų | 71.9 | 2% | 0.017 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -67.9 | -29.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L20 I21 Q22 S34 S36 P42 Y44 | A18-L20 PolarHBondContact O-N 2.9Å; A18-I21 PolarHBondContact O-N 3.23Å; A18-Q22 PolarHBondContact O-N 3.24Å; A18-S34 PolarHBondContact N-OG 3.34Å; A18-S34 VanDerWaalsContact N-OG 3.11Å; A18-S36 WeakPolarHBondContact CB-OG 3.08Å; A18-P42 HydrophobicContact CB-CB 3.76Å; A18-Y44 HydrophobicContact CB-CD1 4.44Å |
| 19 | C | 67.8 | Low | 64.4 | Low | 23 Ų | 23 | 70.8 Ų | 70.8 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -68.7 | -20 | -178.7 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | D17 C32 I33 S34 | D17-C19 VanDerWaalsContact C-N 3.32Å; D17-C19 PolarHBondContact O-N 3.1Å; D17-C19 WeakPolarHBondContact OD1-CB 3.4Å; D17-C19 PolarHBondContact OD1-N 2.99Å; C19-C32 HydrophobicContact CB-CB 3.79Å; C19-C32 WeakPolarHBondContact CB-SG 3.01Å; C19-C32 WeakPolarHBondContact SG-CB 3.29Å; C19-C32 CovalentContact SG-SG 2.04Å; C19-C32 PolarHBondContact SG-SG 2.81Å; C19-I33 PolarHBondContact SG-N 3.1Å; C19-S34 PolarHBondContact SG-N 2.86Å; C19-S34 VanDerWaalsContact SG-N 3.44Å |
| 20 | L | 67.5 | Low | 64.3 | Low | 93 Ų | 93 | 69.8 Ų | 69.8 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -88 | -9.2 | 173.4 | -63.4 | 177.6 | 0 | 0 | 0 | 113.5 | L5 D17 A18 | L5-L20 HydrophobicContact CB-CB 4.47Å; D17-L20 HydrophobicContact CB-CD1 4.17Å; D17-L20 HydrophobicContact CB-CG 4.32Å; D17-L20 PolarHBondContact O-N 3.44Å; A18-L20 PolarHBondContact O-N 2.9Å |
| 21 | I | 67.7 | Low | 64.3 | Low | 54 Ų | 54 | 66.6 Ų | 66.6 | 28% | 0.277 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -33.5 | -179.7 | -56.8 | 171.6 | 0 | 0 | 0 | 111 | W7 V15 A18 | W7-I21 HydrophobicContact CD2-CD1 4.19Å; W7-I21 HydrophobicContact CG-CD1 4.41Å; W7-I21 HydrophobicContact CZ2-CD1 3.85Å; W7-I21 HydrophobicContact CZ2-CG2 4.39Å; V15-I21 HydrophobicContact CG1-CD1 3.89Å; V15-I21 HydrophobicContact CG2-CD1 4.45Å; A18-I21 PolarHBondContact O-N 3.23Å |
| 22 | Q | 62.6 | Low | 64.3 | Low | 97 Ų | 97 | 61.3 Ų | 61.3 | 45% | 0.453 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -123.8 | 81.8 | 173.2 | -69.3 | -171.3 | -12.1 | 0 | 0 | 110.7 | A18 D24 S25 Y44 | A18-Q22 PolarHBondContact O-N 3.24Å; Q22-D24 VanDerWaalsContact C-N 3.28Å; Q22-D24 PolarHBondContact O-N 2.83Å; Q22-S25 PolarHBondContact OE1-OG 2.76Å; Q22-Y44 PolarHBondContact OE1-OH 2.83Å |
| 23 | S | 53.2 | Low | 64.4 | Low | 102 Ų | 102 | 62.7 Ų | 62.7 | 71% | 0.713 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -9.9 | -170.4 | 55 | 0 | 0 | 0 | 0 | 116.6 | ||
| 24 | D | 57.1 | Low | 64.4 | Low | 141 Ų | 141 | 59.9 Ų | 59.9 | 75% | 0.754 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | 9.5 | -172.9 | -75.7 | -47.9 | 0 | 0 | 0 | 114.2 | Q22 | Q22-D24 VanDerWaalsContact C-N 3.28Å; Q22-D24 PolarHBondContact O-N 2.83Å |
| 25 | S | 60.8 | Low | 64.6 | Low | 39 Ų | 39 | 60 Ų | 60 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -78.1 | -33.1 | -173.1 | -62.2 | 0 | 0 | 0 | 0 | 114.8 | Q22 L27 Y44 | Q22-S25 PolarHBondContact OE1-OG 2.76Å; S25-L27 PolarHBondContact O-N 3.18Å; S25-Y44 WeakPolarHBondContact CB-OH 3.42Å; S25-Y44 PolarHBondContact OG-OH 3.23Å |
| 26 | C | 62.3 | Low | 64.4 | Low | 27 Ų | 27 | 60.4 Ų | 60.4 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -88.9 | 102.3 | 177 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | A30 C32 C46 I57 | C26-A30 HydrophobicContact CB-CB 4.39Å; C26-C32 HydrophobicContact CB-CB 4.47Å; C26-C32 VanDerWaalsContact SG-CB 3.54Å; C26-C46 WeakPolarHBondContact CA-SG 3.39Å; C26-C46 HydrophobicContact CB-CB 3.84Å; C26-C46 WeakPolarHBondContact CB-SG 3.49Å; C26-C46 WeakPolarHBondContact SG-CB 3.01Å; C26-C46 CovalentContact SG-SG 2.04Å; C26-C46 PolarHBondContact SG-SG 3.05Å; C26-I57 HydrophobicContact CB-CD1 4.4Å |
| 27 | L | 62.7 | Low | 64 | Low | 83 Ų | 83 | 65 Ų | 65 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | trans | -79.8 | 167.4 | -178.3 | -64.1 | 172.1 | 0 | 0 | 0 | 112.8 | S25 G29 | S25-L27 PolarHBondContact O-N 3.18Å; L27-G29 VanDerWaalsContact C-N 3.34Å; L27-G29 PolarHBondContact O-N 2.04Å | ||
| 28 | N | 58.3 | Low | 63.4 | Low | 96 Ų | 96 | 66.6 Ų | 66.6 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 34.2 | 171.5 | -58.4 | -49.1 | 0 | 0 | 0 | 116 | A30 F52 I57 | N28-A30 VanDerWaalsContact C-N 3.33Å; N28-A30 PolarHBondContact O-N 2.04Å; N28-F52 HydrophobicContact CB-CE2 4.46Å; N28-I57 HydrophobicContact CB-CG2 4.26Å; N28-I57 PolarHBondContact ND2-O 3.37Å |
| 29 | G | 61.1 | Low | 63 | Low | 73 Ų | 73 | 73 Ų | 73 | 75% | 0.753 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 14.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L27 | L27-G29 VanDerWaalsContact C-N 3.34Å; L27-G29 PolarHBondContact O-N 2.04Å |
| 30 | A | 62.8 | Low | 62.5 | Low | 16 Ų | 16 | 73.7 Ų | 73.7 | 13% | 0.132 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -71 | 154.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C26 N28 C46 K47 P49 I57 | C26-A30 HydrophobicContact CB-CB 4.39Å; N28-A30 VanDerWaalsContact C-N 3.33Å; N28-A30 PolarHBondContact O-N 2.04Å; A30-C46 HydrophobicContact CB-CB 4.48Å; A30-K47 WeakPolarHBondContact CB-O 3.1Å; A30-P49 HydrophobicContact CB-CG 4.48Å; A30-I57 HydrophobicContact CB-CD1 3.18Å; A30-I57 HydrophobicContact CB-CG1 4.34Å |
| 31 | T | 69.8 | Low | 62.1 | Low | 93 Ų | 93 | 73.6 Ų | 73.6 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 119 | -179.7 | -42.5 | 0 | 0 | 0 | 0 | 110.5 | K47 | T31-K47 PolarHBondContact N-O 2.89Å; T31-K47 PolarHBondContact O-N 3.29Å |
| 32 | C | 70.6 | Confident | 61.8 | Low | 40 Ų | 40 | 73.7 Ų | 73.7 | 27% | 0.27 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 136 | 172.2 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | C19 C26 | C19-C32 HydrophobicContact CB-CB 3.79Å; C19-C32 WeakPolarHBondContact CB-SG 3.01Å; C19-C32 WeakPolarHBondContact SG-CB 3.29Å; C19-C32 CovalentContact SG-SG 2.04Å; C19-C32 PolarHBondContact SG-SG 2.81Å; C26-C32 HydrophobicContact CB-CB 4.47Å; C26-C32 VanDerWaalsContact SG-CB 3.54Å |
| 33 | I | 70.8 | Confident | 61.8 | Low | 55 Ų | 55 | 73.8 Ų | 73.8 | 28% | 0.282 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 116.9 | 175.5 | -56.7 | 179.6 | 0 | 0 | 0 | 108.4 | C19 Y44 Y45 K47 | C19-I33 PolarHBondContact SG-N 3.1Å; I33-Y44 CarbonylContact O-C 3.26Å; I33-Y44 VanDerWaalsContact O-CA 3.31Å; I33-Y44 WeakPolarHBondContact O-CA 3.09Å; I33-Y45 HydrophobicContact CB-CD1 4.21Å; I33-Y45 HydrophobicContact CB-CE1 3.78Å; I33-Y45 HydrophobicContact CD1-CE2 4.25Å; I33-Y45 HydrophobicContact CG2-CD1 4.43Å; I33-Y45 HydrophobicContact CG2-CE1 3.67Å; I33-Y45 PolarHBondContact N-O 3.02Å; I33-Y45 PolarHBondContact O-N 3.4Å; I33-K47 HydrophobicContact CD1-CB 3.87Å; I33-K47 HydrophobicContact CD1-CD 3.98Å |
| 34 | S | 65.9 | Low | 62.6 | Low | 38 Ų | 38 | 72.7 Ų | 72.7 | 27% | 0.266 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.1 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | D17 A18 C19 | D17-S34 WeakPolarHBondContact OD1-CB 3Å; A18-S34 PolarHBondContact N-OG 3.34Å; A18-S34 VanDerWaalsContact N-OG 3.11Å; C19-S34 PolarHBondContact SG-N 2.86Å; C19-S34 VanDerWaalsContact SG-N 3.44Å |
| 35 | T | 67.8 | Low | 63.2 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | trans | -120.1 | 11.1 | 179.9 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | E43 Y45 | T35-E43 PolarHBondContact N-O 3.37Å; T35-E43 PolarHBondContact OG1-O 2.91Å; T35-Y45 HydrophobicContact CG2-CD1 3.61Å; T35-Y45 HydrophobicContact CG2-CE1 3.6Å | ||
| 36 | S | 61.5 | Low | 63.7 | Low | 29 Ų | 29 | 70.9 Ų | 70.9 | 20% | 0.203 | 42% | 0.415 | C | S | . | . | trans | -60.5 | 132.9 | -173.1 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | A18 E43 | A18-S36 WeakPolarHBondContact CB-OG 3.08Å; S36-E43 PolarHBondContact N-O 2.91Å; S36-E43 PolarHBondContact OG-N 3.03Å; S36-E43 PolarHBondContact OG-O 3.44Å | ||
| 37 | Q | 58.9 | Low | 63.6 | Low | 138 Ų | 138 | 76 Ų | 76 | 65% | 0.645 | 43% | 0.434 | S | S | * | . | trans | -94.5 | 158.1 | 168.3 | -67.3 | -166.9 | 7.9 | 0 | 0 | 111.3 | T39 S40 | Q37-T39 PolarHBondContact O-N 3.42Å; Q37-S40 PolarHBondContact N-OG 2.72Å; Q37-S40 PolarHBondContact O-N 2.69Å; Q37-S40 PolarHBondContact O-OG 2.77Å | ||
| 38 | P | 56.2 | Low | 63.6 | Low | 88 Ų | 88 | 74.7 Ų | 74.7 | 57% | 0.571 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 4.5 | -166.4 | -24.5 | 35.9 | 0 | 0 | 0 | 118 | H14 | H14-P38 PolarHBondContact ND1-O 3.39Å; H14-P38 VanDerWaalsContact ND1-O 3.12Å |
| 39 | T | 57.3 | Low | 63.7 | Low | 136 Ų | 136 | 72 Ų | 72 | 83% | 0.834 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.1 | 6.9 | -176.1 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | Q37 | Q37-T39 PolarHBondContact O-N 3.42Š|
| 40 | S | 57.9 | Low | 63.5 | Low | 38 Ų | 38 | 73.2 Ų | 73.2 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -107.1 | 164.6 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | Q37 | Q37-S40 PolarHBondContact N-OG 2.72Å; Q37-S40 PolarHBondContact O-N 2.69Å; Q37-S40 PolarHBondContact O-OG 2.77Å |
| 41 | P | 59.1 | Low | 63.1 | Low | 92 Ų | 92 | 73.6 Ų | 73.6 | 60% | 0.597 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -56.3 | 158.5 | 167.5 | 24.1 | -35.2 | 0 | 0 | 0 | 112 | E43 | P41-E43 PolarHBondContact O-N 2.04Š|
| 42 | P | 60.7 | Low | 62.7 | Low | 55 Ų | 55 | 72.1 Ų | 72.1 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | trans | -66.8 | 103.2 | -175.6 | 26.6 | -34.4 | 0 | 0 | 0 | 111.5 | V15 A18 | V15-P42 HydrophobicContact CG1-CB 4.44Å; A18-P42 HydrophobicContact CB-CB 3.76Å | ||
| 43 | E | 63.6 | Low | 62.2 | Low | 100 Ų | 100 | 72.8 Ų | 72.8 | 47% | 0.467 | 41% | 0.405 | S | S | . | . | trans | -100 | 134.2 | 177.6 | -75 | 170.2 | -165.2 | 0 | 0 | 110.8 | T35 S36 P41 | T35-E43 PolarHBondContact N-O 3.37Å; T35-E43 PolarHBondContact OG1-O 2.91Å; S36-E43 PolarHBondContact N-O 2.91Å; S36-E43 PolarHBondContact OG-N 3.03Å; S36-E43 PolarHBondContact OG-O 3.44Å; P41-E43 PolarHBondContact O-N 2.04Å | ||
| 44 | Y | 70.2 | Confident | 61.7 | Low | 78 Ų | 78 | 72.3 Ų | 72.3 | 31% | 0.306 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 160.3 | 177 | 64.4 | -84.7 | 0 | 0 | 0 | 109.5 | A18 Q22 S25 I33 | A18-Y44 HydrophobicContact CB-CD1 4.44Å; Q22-Y44 PolarHBondContact OE1-OH 2.83Å; S25-Y44 WeakPolarHBondContact CB-OH 3.42Å; S25-Y44 PolarHBondContact OG-OH 3.23Å; I33-Y44 CarbonylContact O-C 3.26Å; I33-Y44 VanDerWaalsContact O-CA 3.31Å; I33-Y44 WeakPolarHBondContact O-CA 3.09Å |
| 45 | Y | 69.3 | Low | 61.2 | Low | 122 Ų | 122 | 79.5 Ų | 79.5 | 48% | 0.478 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 154.7 | 166.6 | 75.6 | -79.4 | 0 | 0 | 0 | 110.5 | I33 T35 | I33-Y45 HydrophobicContact CB-CD1 4.21Å; I33-Y45 HydrophobicContact CB-CE1 3.78Å; I33-Y45 HydrophobicContact CD1-CE2 4.25Å; I33-Y45 HydrophobicContact CG2-CD1 4.43Å; I33-Y45 HydrophobicContact CG2-CE1 3.67Å; I33-Y45 PolarHBondContact N-O 3.02Å; I33-Y45 PolarHBondContact O-N 3.4Å; T35-Y45 HydrophobicContact CG2-CD1 3.61Å; T35-Y45 HydrophobicContact CG2-CE1 3.6Å |
| 46 | C | 70.9 | Confident | 60.7 | Low | 21 Ų | 21 | 80.6 Ų | 80.6 | 14% | 0.142 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 128.5 | -178.9 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | C26 A30 I57 | C26-C46 WeakPolarHBondContact CA-SG 3.39Å; C26-C46 HydrophobicContact CB-CB 3.84Å; C26-C46 WeakPolarHBondContact CB-SG 3.49Å; C26-C46 WeakPolarHBondContact SG-CB 3.01Å; C26-C46 CovalentContact SG-SG 2.04Å; C26-C46 PolarHBondContact SG-SG 3.05Å; A30-C46 HydrophobicContact CB-CB 4.48Å; C46-I57 HydrophobicContact CB-CD1 3.26Å; C46-I57 HydrophobicContact CB-CG1 4.26Å |
| 47 | K | 61.1 | Low | 61 | Low | 134 Ų | 134 | 79.2 Ų | 79.2 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 117.1 | 175.3 | -170.6 | 174.5 | 179.8 | 178.9 | 0 | 110.3 | A30 T31 I33 | A30-K47 WeakPolarHBondContact CB-O 3.1Å; T31-K47 PolarHBondContact N-O 2.89Å; T31-K47 PolarHBondContact O-N 3.29Å; I33-K47 HydrophobicContact CD1-CB 3.87Å; I33-K47 HydrophobicContact CD1-CD 3.98Å |
| 48 | C | 61.2 | Low | 60.8 | Low | 56 Ų | 56 | 79.4 Ų | 79.4 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 141 | -171.5 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | F52 | C48-F52 WeakPolarHBondContact CB-O 3.47Š|
| 49 | P | 60.2 | Low | 60.9 | Low | 38 Ų | 38 | 77.2 Ų | 77.2 | 25% | 0.247 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 155.4 | 154.4 | -12.9 | 29.1 | 0 | 0 | 0 | 110.2 | A30 A51 F52 | A30-P49 HydrophobicContact CB-CG 4.48Å; P49-A51 PolarHBondContact O-N 3.33Å; P49-F52 PolarHBondContact O-N 2.83Å |
| 50 | P | 58.3 | Low | 60.8 | Low | 99 Ų | 99 | 73.1 Ų | 73.1 | 64% | 0.643 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.3 | -168.4 | 25.2 | -35.4 | 0 | 0 | 0 | 115.9 | F64 | P50-F64 HydrophobicContact CB-CD2 4.06Å; P50-F64 HydrophobicContact CB-CE2 3.7Å; P50-F64 HydrophobicContact CG-CE2 3.8Å; P50-F64 HydrophobicContact CG-CZ 4.32Å; P50-F64 VanDerWaalsContact O-CD2 3.28Å; P50-F64 WeakPolarHBondContact O-CD2 3.42Å |
| 51 | A | 54.2 | Low | 60.9 | Low | 25 Ų | 25 | 73 Ų | 73 | 21% | 0.207 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P49 N61 F64 | P49-A51 PolarHBondContact O-N 3.33Å; A51-N61 WeakPolarHBondContact O-CB 3.41Å; A51-N61 PolarHBondContact O-N 2.95Å; A51-F64 HydrophobicContact CB-CD1 3.61Å; A51-F64 HydrophobicContact CB-CD2 4.44Å; A51-F64 HydrophobicContact CB-CE1 3.81Å; A51-F64 HydrophobicContact CB-CG 3.95Å; A51-F64 HydrophobicContact CB-CZ 4.32Å |
| 52 | F | 61.8 | Low | 61.1 | Low | 62 Ų | 62 | 71.5 Ų | 71.5 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.2 | -173.8 | -61.4 | -86.9 | 0 | 0 | 0 | 112.9 | N28 C48 P49 I57 V59 A60 | N28-F52 HydrophobicContact CB-CE2 4.46Å; C48-F52 WeakPolarHBondContact CB-O 3.47Å; P49-F52 PolarHBondContact O-N 2.83Å; F52-I57 HydrophobicContact CB-CG2 3.73Å; F52-I57 HydrophobicContact CG-CG2 4.24Å; F52-V59 WeakPolarHBondContact CA-O 3.1Å; F52-A60 HydrophobicContact CD1-CB 4.42Å; F52-A60 HydrophobicContact CE1-CB 4.32Å |
| 53 | T | 60.3 | Low | 61.4 | Low | 54 Ų | 54 | 70 Ų | 70 | 33% | 0.331 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 171.6 | -179.9 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | V59 N61 | T53-V59 PolarHBondContact N-O 2.83Å; T53-V59 WeakPolarHBondContact O-CB 3.05Å; T53-N61 HydrophobicContact CG2-CB 4.33Å |
| 54 | G | 59.2 | Low | 61.5 | Low | 45 Ų | 45 | 70.6 Ų | 70.6 | 46% | 0.464 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 89.4 | 159.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | D56 I57 | G54-D56 PolarHBondContact O-N 3.38Å; G54-I57 PolarHBondContact O-N 2.04Å |
| 55 | E | 56.5 | Low | 61.1 | Low | 189 Ų | 189 | 72.2 Ų | 72.2 | 88% | 0.883 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -41.6 | -171.4 | -71.7 | 178.6 | 127 | 0 | 0 | 114.1 | ||
| 56 | D | 57 | Low | 60.8 | Low | 93 Ų | 93 | 70.9 Ų | 70.9 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 2.1 | -177.2 | -83.5 | 0.7 | 0 | 0 | 0 | 114.3 | G54 K58 | G54-D56 PolarHBondContact O-N 3.38Å; D56-K58 VanDerWaalsContact C-N 3.31Å; D56-K58 HydrophobicContact CB-CD 3.94Å; D56-K58 HydrophobicContact CB-CG 4.24Å; D56-K58 PolarHBondContact O-N 3.42Å; D56-K58 IonicContact OD2-NZ 2.7Å; D56-K58 PolarHBondContact OD2-NZ 3.13Å |
| 57 | I | 66.1 | Low | 60.9 | Low | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 52.8 | 44.9 | -178.8 | -47.9 | 149.8 | 0 | 0 | 0 | 112.9 | C26 N28 A30 C46 F52 G54 | C26-I57 HydrophobicContact CB-CD1 4.4Å; N28-I57 HydrophobicContact CB-CG2 4.26Å; N28-I57 PolarHBondContact ND2-O 3.37Å; A30-I57 HydrophobicContact CB-CD1 3.18Å; A30-I57 HydrophobicContact CB-CG1 4.34Å; C46-I57 HydrophobicContact CB-CD1 3.26Å; C46-I57 HydrophobicContact CB-CG1 4.26Å; F52-I57 HydrophobicContact CB-CG2 3.73Å; F52-I57 HydrophobicContact CG-CG2 4.24Å; G54-I57 PolarHBondContact O-N 2.04Å |
| 58 | K | 55.4 | Low | 61.7 | Low | 143 Ų | 143 | 64.8 Ų | 64.8 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | trans | -99.9 | -2.1 | 173.4 | -69.8 | 165.8 | -173.4 | 154.8 | 0 | 113 | D56 | D56-K58 VanDerWaalsContact C-N 3.31Å; D56-K58 HydrophobicContact CB-CD 3.94Å; D56-K58 HydrophobicContact CB-CG 4.24Å; D56-K58 PolarHBondContact O-N 3.42Å; D56-K58 IonicContact OD2-NZ 2.7Å; D56-K58 PolarHBondContact OD2-NZ 3.13Å | ||
| 59 | V | 57.6 | Low | 62.1 | Low | 41 Ų | 41 | 63.1 Ų | 63.1 | 25% | 0.248 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.1 | -168.5 | -171.1 | 0 | 0 | 0 | 0 | 110.6 | F52 T53 A79 | F52-V59 WeakPolarHBondContact CA-O 3.1Å; T53-V59 PolarHBondContact N-O 2.83Å; T53-V59 WeakPolarHBondContact O-CB 3.05Å; V59-A79 HydrophobicContact CG1-CB 3.93Å; V59-A79 WeakPolarHBondContact CG1-O 3.5Å |
| 60 | A | 55.4 | Low | 62.7 | Low | 50 Ų | 50 | 66 Ų | 66 | 41% | 0.413 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F52 N62 | F52-A60 HydrophobicContact CD1-CB 4.42Å; F52-A60 HydrophobicContact CE1-CB 4.32Å; A60-N62 PolarHBondContact O-N 3.06Å; A60-N62 VanDerWaalsContact O-N 3.15Å |
| 61 | N | 61.5 | Low | 63.1 | Low | 36 Ų | 36 | 65 Ų | 65 | 19% | 0.193 | 38% | 0.383 | C | S | . | . | trans | -80.7 | 94.1 | 176.3 | -177.6 | -0.8 | 0 | 0 | 0 | 110.1 | A51 T53 C63 F64 | A51-N61 WeakPolarHBondContact O-CB 3.41Å; A51-N61 PolarHBondContact O-N 2.95Å; T53-N61 HydrophobicContact CG2-CB 4.33Å; N61-C63 PolarHBondContact O-N 2.73Å; N61-C63 VanDerWaalsContact O-N 3.09Å; N61-C63 PolarHBondContact OD1-N 3Å; N61-C63 VanDerWaalsContact OD1-N 3.15Å; N61-F64 HydrophobicContact CB-CB 4.31Å; N61-F64 WeakPolarHBondContact O-CB 3.33Å; N61-F64 PolarHBondContact O-N 3.05Å | ||
| 62 | N | 62.8 | Low | 64.1 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -8 | -177.9 | -70.9 | -15 | 0 | 0 | 0 | 114.7 | A60 S80 Y82 | A60-N62 PolarHBondContact O-N 3.06Å; A60-N62 VanDerWaalsContact O-N 3.15Å; N62-S80 PolarHBondContact ND2-O 2.77Å; N62-Y82 HydrophobicContact CB-CD1 4.04Å |
| 63 | C | 66.9 | Low | 64.9 | Low | 24 Ų | 24 | 70.4 Ų | 70.4 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -12.7 | 168.7 | -73.8 | 0 | 0 | 0 | 0 | 113.5 | N61 T65 S66 C74 | N61-C63 PolarHBondContact O-N 2.73Å; N61-C63 VanDerWaalsContact O-N 3.09Å; N61-C63 PolarHBondContact OD1-N 3Å; N61-C63 VanDerWaalsContact OD1-N 3.15Å; C63-T65 PolarHBondContact O-N 3.4Å; C63-S66 PolarHBondContact O-N 2.84Å; C63-S66 VanDerWaalsContact O-N 3.09Å; C63-C74 VanDerWaalsContact CA-SG 3.53Å; C63-C74 HydrophobicContact CB-CB 3.79Å; C63-C74 WeakPolarHBondContact CB-SG 3.34Å; C63-C74 WeakPolarHBondContact SG-CB 3.19Å; C63-C74 CovalentContact SG-SG 2.04Å; C63-C74 PolarHBondContact SG-SG 2.04Å |
| 64 | F | 64.8 | Low | 65.7 | Low | 112 Ų | 112 | 69.6 Ų | 69.6 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.9 | -177.9 | 179.1 | -105.8 | 0 | 0 | 0 | 113.7 | P50 A51 N61 S66 | P50-F64 HydrophobicContact CB-CD2 4.06Å; P50-F64 HydrophobicContact CB-CE2 3.7Å; P50-F64 HydrophobicContact CG-CE2 3.8Å; P50-F64 HydrophobicContact CG-CZ 4.32Å; P50-F64 VanDerWaalsContact O-CD2 3.28Å; P50-F64 WeakPolarHBondContact O-CD2 3.42Å; A51-F64 HydrophobicContact CB-CD1 3.61Å; A51-F64 HydrophobicContact CB-CD2 4.44Å; A51-F64 HydrophobicContact CB-CE1 3.81Å; A51-F64 HydrophobicContact CB-CG 3.95Å; A51-F64 HydrophobicContact CB-CZ 4.32Å; N61-F64 HydrophobicContact CB-CB 4.31Å; N61-F64 WeakPolarHBondContact O-CB 3.33Å; N61-F64 PolarHBondContact O-N 3.05Å; F64-S66 PolarHBondContact O-N 3.49Å |
| 65 | T | 63.4 | Low | 66.4 | Low | 111 Ų | 111 | 69.7 Ų | 69.7 | 68% | 0.681 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 8.1 | 175.9 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | C63 | C63-T65 PolarHBondContact O-N 3.4Š|
| 66 | S | 63.2 | Low | 66.8 | Low | 94 Ų | 94 | 64.4 Ų | 64.4 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | trans | 44.6 | 60.6 | -174.1 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | C63 F64 C68 | C63-S66 PolarHBondContact O-N 2.84Å; C63-S66 VanDerWaalsContact O-N 3.09Å; F64-S66 PolarHBondContact O-N 3.49Å; S66-C68 PolarHBondContact O-N 3.05Å | ||
| 67 | P | 71.8 | Confident | 67 | Low | 12 Ų | 12 | 63.9 Ų | 63.9 | 8% | 0.078 | 36% | 0.362 | C | S | . | . | trans | -67.5 | -23.7 | -173.9 | 28 | -36 | 0 | 0 | 0 | 113.7 | Y82 N94 | P67-Y82 HydrophobicContact CB-CD2 4.26Å; P67-Y82 HydrophobicContact CB-CE1 4.19Å; P67-Y82 HydrophobicContact CB-CE2 3.56Å; P67-Y82 HydrophobicContact CG-CD1 4.33Å; P67-Y82 HydrophobicContact CG-CD2 3.69Å; P67-Y82 HydrophobicContact CG-CE1 4.17Å; P67-Y82 HydrophobicContact CG-CE2 3.52Å; P67-Y82 HydrophobicContact CG-CG 4.11Å; P67-N94 PolarHBondContact O-ND2 2.84Å | ||
| 68 | C | 77.9 | Confident | 66.6 | Low | 16 Ų | 16 | 70 Ų | 70 | 11% | 0.108 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -81.5 | 128.3 | 176.5 | -46.6 | 0 | 0 | 0 | 0 | 110.4 | S66 G72 C74 C84 | S66-C68 PolarHBondContact O-N 3.05Å; C68-G72 WeakPolarHBondContact CB-O 3.49Å; C68-C74 VanDerWaalsContact SG-CA 3.51Å; C68-C74 WeakPolarHBondContact SG-CB 3.49Å; C68-C84 WeakPolarHBondContact CA-SG 3.28Å; C68-C84 HydrophobicContact CB-CB 3.7Å; C68-C84 WeakPolarHBondContact CB-SG 3.36Å; C68-C84 VanDerWaalsContact SG-CA 3.54Å; C68-C84 WeakPolarHBondContact SG-CB 3.47Å; C68-C84 CovalentContact SG-SG 2.02Å; C68-C84 PolarHBondContact SG-SG 3.45Å |
| 69 | A | 70.8 | Confident | 66.6 | Low | 20 Ų | 20 | 66.5 Ų | 66.5 | 17% | 0.165 | 39% | 0.392 | C | S | . | . | trans | -93.2 | 172.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G71 G72 N94 R96 | A69-G71 PolarHBondContact O-N 2.76Å; A69-G72 PolarHBondContact O-N 2.81Å; A69-N94 PolarHBondContact N-O 3.37Å; A69-R96 HydrophobicContact CB-CG 3.69Å | ||
| 70 | H | 71.9 | Confident | 66.4 | Low | 100 Ų | 100 | 69 Ų | 69 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 51.9 | 167.7 | -43.9 | 121.3 | 0 | 0 | 0 | 114.8 | G72 W90 C95 | H70-G72 PolarHBondContact O-N 2.99Å; H70-W90 HydrophobicContact CB-CD2 3.85Å; H70-W90 HydrophobicContact CB-CG 4.05Å; H70-W90 HydrophobicContact CB-CZ2 3.99Å; H70-W90 AromaticContact CD2-CZ2 3.94Å; H70-W90 AromaticContact CE1-CE3 3.96Å; H70-W90 AromaticContact CE1-CH2 3.32Å; H70-W90 WeakPolarHBondContact CE1-CH2 3.38Å; H70-W90 AromaticContact CE1-CZ2 3.8Å; H70-W90 AromaticContact CE1-CZ3 3.41Å; H70-W90 VanDerWaalsContact CE1-CZ3 3.41Å; H70-W90 WeakPolarHBondContact CE1-CZ3 3.24Å; H70-W90 AromaticContact CG-CD2 3.89Å; H70-W90 AromaticContact CG-CE2 3.54Å; H70-W90 AromaticContact CG-CH2 3.88Å; H70-W90 AromaticContact CG-CZ2 3.53Å; H70-W90 AromaticContact ND1-CD2 3.49Å; H70-W90 AromaticContact ND1-CE2 3.53Å; H70-W90 AromaticContact ND1-CE3 3.34Å; H70-W90 VanDerWaalsContact ND1-CE3 3.34Å; H70-W90 AromaticContact ND1-CH2 3.34Å; H70-W90 VanDerWaalsContact ND1-CH2 3.34Å; H70-W90 WeakPolarHBondContact ND1-CH2 3.49Å; H70-W90 AromaticContact ND1-CZ2 3.46Å; H70-W90 WeakPolarHBondContact ND1-CZ2 3.09Å; H70-W90 AromaticContact ND1-CZ3 3.27Å; H70-W90 VanDerWaalsContact ND1-CZ3 3.27Å; H70-W90 WeakPolarHBondContact ND1-CZ3 3.38Å; H70-W90 AromaticContact NE2-CH2 3.91Å; H70-C95 PolarHBondContact ND1-O 3.18Å; H70-C95 VanDerWaalsContact ND1-O 3.11Å |
| 71 | G | 67.6 | Low | 66.8 | Low | 76 Ų | 76 | 69.3 Ų | 69.3 | 78% | 0.784 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -0 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A69 R73 | A69-G71 PolarHBondContact O-N 2.76Å; G71-R73 PolarHBondContact O-N 3Å |
| 72 | G | 74.3 | Confident | 67.3 | Low | 11 Ų | 11 | 70.6 Ų | 70.6 | 11% | 0.113 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 127.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | C68 A69 H70 C74 I85 | C68-G72 WeakPolarHBondContact CB-O 3.49Å; A69-G72 PolarHBondContact O-N 2.81Å; H70-G72 PolarHBondContact O-N 2.99Å; G72-C74 PolarHBondContact O-N 2.9Å; G72-I85 CarbonylContact C-O 3.54Å; G72-I85 VanDerWaalsContact CA-O 3.29Å; G72-I85 WeakPolarHBondContact CA-O 3.01Å |
| 73 | R | 78.6 | Confident | 67.8 | Low | 190 Ų | 190 | 72 Ų | 72 | 72% | 0.717 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 116.8 | -178.4 | -175.4 | 175 | 179 | 171 | 0.4 | 110.9 | G71 V75 I85 | G71-R73 PolarHBondContact O-N 3Å; R73-V75 HydrophobicContact CG-CG2 4.43Å; R73-V75 PolarHBondContact O-N 3.47Å; R73-I85 PolarHBondContact N-O 3.21Å; R73-I85 PolarHBondContact O-N 3.22Å |
| 74 | C | 76.8 | Confident | 68.5 | Low | 37 Ų | 37 | 71.4 Ų | 71.4 | 25% | 0.25 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.6 | 174.3 | -162.2 | 0 | 0 | 0 | 0 | 110.9 | C63 C68 G72 | C63-C74 VanDerWaalsContact CA-SG 3.53Å; C63-C74 HydrophobicContact CB-CB 3.79Å; C63-C74 WeakPolarHBondContact CB-SG 3.34Å; C63-C74 WeakPolarHBondContact SG-CB 3.19Å; C63-C74 CovalentContact SG-SG 2.04Å; C63-C74 PolarHBondContact SG-SG 2.04Å; C68-C74 VanDerWaalsContact SG-CA 3.51Å; C68-C74 WeakPolarHBondContact SG-CB 3.49Å; G72-C74 PolarHBondContact O-N 2.9Å |
| 75 | V | 74 | Confident | 69.2 | Low | 48 Ų | 48 | 70.7 Ų | 70.7 | 29% | 0.291 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.9 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 109 | R73 Y82 M83 I85 | R73-V75 HydrophobicContact CG-CG2 4.43Å; R73-V75 PolarHBondContact O-N 3.47Å; V75-Y82 CarbonylContact O-C 3.44Å; V75-Y82 WeakPolarHBondContact O-CA 3.43Å; V75-M83 PolarHBondContact N-O 3.43Å; V75-M83 PolarHBondContact O-N 3.32Å; V75-I85 HydrophobicContact CG2-CD1 3.73Å; V75-I85 HydrophobicContact CG2-CG1 4.08Å |
| 76 | L | 65.9 | Low | 70 | Confident | 77 Ų | 77 | 67.1 Ų | 67.1 | 40% | 0.403 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 117.1 | 175.7 | -69.8 | 168.9 | 0 | 0 | 0 | 109.3 | ||
| 77 | N | 60.3 | Low | 70.4 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -28.2 | 179.6 | -77.3 | -5.3 | 0 | 0 | 0 | 112.1 | S81 M83 | N77-S81 PolarHBondContact N-O 3.44Å; N77-M83 WeakPolarHBondContact ND2-CB 3.44Å |
| 78 | N | 57.2 | Low | 70.4 | Confident | 130 Ų | 130 | 71.5 Ų | 71.5 | 70% | 0.695 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 178 | 168.3 | -104.9 | -35.4 | 0 | 0 | 0 | 108.9 | S80 S81 | N78-S80 PolarHBondContact O-N 3.03Å; N78-S81 PolarHBondContact O-N 2.91Å; N78-S81 VanDerWaalsContact O-N 3.13Å |
| 79 | A | 55.2 | Low | 70 | Confident | 68 Ų | 68 | 71 Ų | 71 | 56% | 0.562 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | V59 | V59-A79 HydrophobicContact CG1-CB 3.93Å; V59-A79 WeakPolarHBondContact CG1-O 3.5Å |
| 80 | S | 54.2 | Low | 70.3 | Confident | 95 Ų | 95 | 71.9 Ų | 71.9 | 66% | 0.664 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | 3.9 | 171.2 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | N62 N78 | N62-S80 PolarHBondContact ND2-O 2.77Å; N78-S80 PolarHBondContact O-N 3.03Å |
| 81 | S | 64.1 | Low | 70.5 | Confident | 55 Ų | 55 | 69.1 Ų | 69.1 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139 | -179.8 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | N77 N78 | N77-S81 PolarHBondContact N-O 3.44Å; N78-S81 PolarHBondContact O-N 2.91Å; N78-S81 VanDerWaalsContact O-N 3.13Å |
| 82 | Y | 72 | Confident | 70.7 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 157.3 | 175.4 | 70.5 | -88.3 | 0 | 0 | 0 | 110.6 | N62 P67 V75 N94 | N62-Y82 HydrophobicContact CB-CD1 4.04Å; P67-Y82 HydrophobicContact CB-CD2 4.26Å; P67-Y82 HydrophobicContact CB-CE1 4.19Å; P67-Y82 HydrophobicContact CB-CE2 3.56Å; P67-Y82 HydrophobicContact CG-CD1 4.33Å; P67-Y82 HydrophobicContact CG-CD2 3.69Å; P67-Y82 HydrophobicContact CG-CE1 4.17Å; P67-Y82 HydrophobicContact CG-CE2 3.52Å; P67-Y82 HydrophobicContact CG-CG 4.11Å; V75-Y82 CarbonylContact O-C 3.44Å; V75-Y82 WeakPolarHBondContact O-CA 3.43Å; Y82-N94 PolarHBondContact OH-ND2 2.91Å; Y82-N94 PolarHBondContact OH-OD1 2.99Å |
| 83 | M | 74.1 | Confident | 70.7 | Confident | 90 Ų | 90 | 74 Ų | 74 | 44% | 0.443 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 132.8 | 171.2 | 179.4 | 174.3 | 73.3 | 0 | 0 | 107.9 | V75 N77 | V75-M83 PolarHBondContact N-O 3.43Å; V75-M83 PolarHBondContact O-N 3.32Å; N77-M83 WeakPolarHBondContact ND2-CB 3.44Å |
| 84 | C | 80.3 | Confident | 70.8 | Confident | 12 Ų | 12 | 67 Ų | 67 | 8% | 0.081 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.8 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | C68 Q93 C95 | C68-C84 WeakPolarHBondContact CA-SG 3.28Å; C68-C84 HydrophobicContact CB-CB 3.7Å; C68-C84 WeakPolarHBondContact CB-SG 3.36Å; C68-C84 VanDerWaalsContact SG-CA 3.54Å; C68-C84 WeakPolarHBondContact SG-CB 3.47Å; C68-C84 CovalentContact SG-SG 2.02Å; C68-C84 PolarHBondContact SG-SG 3.45Å; C84-Q93 WeakPolarHBondContact CB-O 3.04Å; C84-C95 WeakPolarHBondContact CB-SG 3.04Å |
| 85 | I | 79.3 | Confident | 70.9 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 109.7 | 164.1 | -58.1 | 178.8 | 0 | 0 | 0 | 105.8 | G72 R73 V75 | G72-I85 CarbonylContact C-O 3.54Å; G72-I85 VanDerWaalsContact CA-O 3.29Å; G72-I85 WeakPolarHBondContact CA-O 3.01Å; R73-I85 PolarHBondContact N-O 3.21Å; R73-I85 PolarHBondContact O-N 3.22Å; V75-I85 HydrophobicContact CG2-CD1 3.73Å; V75-I85 HydrophobicContact CG2-CG1 4.08Å |
| 86 | C | 80.4 | Confident | 71.1 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 24% | 0.243 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 148 | -175.6 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | W90 C95 | C86-W90 HydrophobicContact CB-CB 4.08Å; C86-W90 WeakPolarHBondContact CB-O 3.23Å; C86-C95 WeakPolarHBondContact CA-SG 3.26Å; C86-C95 HydrophobicContact CB-CB 3.73Å; C86-C95 WeakPolarHBondContact CB-SG 3.39Å; C86-C95 WeakPolarHBondContact SG-CA 3.25Å; C86-C95 WeakPolarHBondContact SG-CB 3.4Å; C86-C95 CovalentContact SG-SG 2.04Å; C86-C95 PolarHBondContact SG-SG 3.46Å |
| 87 | A | 71.1 | Confident | 71.5 | Confident | 41 Ų | 41 | 72 Ų | 72 | 34% | 0.339 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 161.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | W90 | A87-W90 PolarHBondContact O-N 3.29Š|
| 88 | H | 73.3 | Confident | 72.1 | Confident | 156 Ų | 156 | 70 Ų | 70 | 72% | 0.722 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 150.9 | 171.8 | -73.9 | -105.3 | 0 | 0 | 0 | 110.5 | W90 D118 | H88-W90 VanDerWaalsContact C-N 3.25Å; H88-W90 PolarHBondContact O-N 2.81Å; H88-D118 VanDerWaalsContact C-CG 3.43Å; H88-D118 VanDerWaalsContact C-OD1 3.32Å; H88-D118 VanDerWaalsContact CB-CG 3.46Å; H88-D118 WeakPolarHBondContact CB-OD1 2.99Å; H88-D118 WeakPolarHBondContact CB-OD2 3.41Å |
| 89 | G | 68.4 | Low | 73 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 7% | 0.072 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -14.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | N98 V99 D118 | G89-N98 PolarHBondContact O-OD1 2.88Å; G89-V99 WeakPolarHBondContact O-CB 3.47Å; G89-V99 WeakPolarHBondContact O-CG2 3.23Å; G89-V99 PolarHBondContact O-N 2.04Å; G89-D118 VanDerWaalsContact CA-CA 3.47Å; G89-D118 VanDerWaalsContact N-CG 3.33Å; G89-D118 PolarHBondContact N-OD1 3.48Å |
| 90 | W | 76.9 | Confident | 73.8 | Confident | 38 Ų | 38 | 67 Ų | 67 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 145.2 | -174.4 | -65.1 | 93 | 0 | 0 | 0 | 114.3 | H70 C86 A87 H88 C95 N98 I117 | H70-W90 HydrophobicContact CB-CD2 3.85Å; H70-W90 HydrophobicContact CB-CG 4.05Å; H70-W90 HydrophobicContact CB-CZ2 3.99Å; H70-W90 AromaticContact CD2-CZ2 3.94Å; H70-W90 AromaticContact CE1-CE3 3.96Å; H70-W90 AromaticContact CE1-CH2 3.32Å; H70-W90 WeakPolarHBondContact CE1-CH2 3.38Å; H70-W90 AromaticContact CE1-CZ2 3.8Å; H70-W90 AromaticContact CE1-CZ3 3.41Å; H70-W90 VanDerWaalsContact CE1-CZ3 3.41Å; H70-W90 WeakPolarHBondContact CE1-CZ3 3.24Å; H70-W90 AromaticContact CG-CD2 3.89Å; H70-W90 AromaticContact CG-CE2 3.54Å; H70-W90 AromaticContact CG-CH2 3.88Å; H70-W90 AromaticContact CG-CZ2 3.53Å; H70-W90 AromaticContact ND1-CD2 3.49Å; H70-W90 AromaticContact ND1-CE2 3.53Å; H70-W90 AromaticContact ND1-CE3 3.34Å; H70-W90 VanDerWaalsContact ND1-CE3 3.34Å; H70-W90 AromaticContact ND1-CH2 3.34Å; H70-W90 VanDerWaalsContact ND1-CH2 3.34Å; H70-W90 WeakPolarHBondContact ND1-CH2 3.49Å; H70-W90 AromaticContact ND1-CZ2 3.46Å; H70-W90 WeakPolarHBondContact ND1-CZ2 3.09Å; H70-W90 AromaticContact ND1-CZ3 3.27Å; H70-W90 VanDerWaalsContact ND1-CZ3 3.27Å; H70-W90 WeakPolarHBondContact ND1-CZ3 3.38Å; H70-W90 AromaticContact NE2-CH2 3.91Å; C86-W90 HydrophobicContact CB-CB 4.08Å; C86-W90 WeakPolarHBondContact CB-O 3.23Å; A87-W90 PolarHBondContact O-N 3.29Å; H88-W90 VanDerWaalsContact C-N 3.25Å; H88-W90 PolarHBondContact O-N 2.81Å; W90-C95 HydrophobicContact CB-CB 4.28Å; W90-N98 HydrophobicContact CZ3-CB 4.23Å; W90-I117 HydrophobicContact CH2-CD1 4.38Å; W90-I117 HydrophobicContact CH2-CG1 4.3Å; W90-I117 HydrophobicContact CZ2-CB 4.39Å; W90-I117 HydrophobicContact CZ2-CD1 3.78Å; W90-I117 HydrophobicContact CZ2-CG1 3.72Å; W90-I117 HydrophobicContact CZ2-CG2 3.73Å |
| 91 | S | 76.4 | Confident | 75.1 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | -177.5 | -178.5 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | C95 R96 I97 | S91-C95 WeakPolarHBondContact O-CA 3.22Å; S91-R96 PolarHBondContact O-N 2.61Å; S91-I97 PolarHBondContact N-O 3.08Å; S91-I97 WeakPolarHBondContact O-CB 3.39Å; S91-I97 PolarHBondContact O-N 2.85Å; S91-I97 VanDerWaalsContact O-N 3.13Å; S91-I97 PolarHBondContact OG-O 2.87Å; S91-I97 VanDerWaalsContact OG-O 3.13Å |
| 92 | G | 72.6 | Confident | 75.6 | Confident | 33 Ų | 33 | 63 Ų | 63 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 164.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N94 C95 | G92-N94 PolarHBondContact O-N 2.91Å; G92-C95 PolarHBondContact O-N 2.03Å; G92-C95 VanDerWaalsContact O-N 3.07Å |
| 93 | Q | 74.3 | Confident | 75.9 | Confident | 156 Ų | 156 | 65.9 Ų | 65.9 | 73% | 0.729 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.3 | -168.7 | -170 | 172.1 | -10.7 | 0 | 0 | 114.9 | C84 | C84-Q93 WeakPolarHBondContact CB-O 3.04Š|
| 94 | N | 80 | Confident | 75.6 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 14 | -177.5 | -68.1 | 28.7 | 0 | 0 | 0 | 113.7 | P67 A69 Y82 G92 R96 | P67-N94 PolarHBondContact O-ND2 2.84Å; A69-N94 PolarHBondContact N-O 3.37Å; Y82-N94 PolarHBondContact OH-ND2 2.91Å; Y82-N94 PolarHBondContact OH-OD1 2.99Å; G92-N94 PolarHBondContact O-N 2.91Å; N94-R96 HydrophobicContact CB-CG 4.42Å; N94-R96 PolarHBondContact O-N 3.01Å |
| 95 | C | 78.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 43.9 | 179.6 | -46.8 | 0 | 0 | 0 | 0 | 114.3 | H70 C84 C86 W90 S91 G92 | H70-C95 PolarHBondContact ND1-O 3.18Å; H70-C95 VanDerWaalsContact ND1-O 3.11Å; C84-C95 WeakPolarHBondContact CB-SG 3.04Å; C86-C95 WeakPolarHBondContact CA-SG 3.26Å; C86-C95 HydrophobicContact CB-CB 3.73Å; C86-C95 WeakPolarHBondContact CB-SG 3.39Å; C86-C95 WeakPolarHBondContact SG-CA 3.25Å; C86-C95 WeakPolarHBondContact SG-CB 3.4Å; C86-C95 CovalentContact SG-SG 2.04Å; C86-C95 PolarHBondContact SG-SG 3.46Å; W90-C95 HydrophobicContact CB-CB 4.28Å; S91-C95 WeakPolarHBondContact O-CA 3.22Å; G92-C95 PolarHBondContact O-N 2.03Å; G92-C95 VanDerWaalsContact O-N 3.07Å |
| 96 | R | 78.8 | Confident | 75.5 | Confident | 166 Ų | 166 | 76.6 Ų | 76.6 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | trans | -117.4 | -5.2 | -178.2 | -67.2 | -177.7 | -175.5 | -140.5 | -1.8 | 113.6 | A69 S91 N94 | A69-R96 HydrophobicContact CB-CG 3.69Å; S91-R96 PolarHBondContact O-N 2.61Å; N94-R96 HydrophobicContact CB-CG 4.42Å; N94-R96 PolarHBondContact O-N 3.01Å | ||
| 97 | I | 74.3 | Confident | 75.6 | Confident | 102 Ų | 102 | 75.7 Ų | 75.7 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 115.5 | 178.7 | -53.4 | 179.7 | 0 | 0 | 0 | 105.8 | S91 V99 | S91-I97 PolarHBondContact N-O 3.08Å; S91-I97 WeakPolarHBondContact O-CB 3.39Å; S91-I97 PolarHBondContact O-N 2.85Å; S91-I97 VanDerWaalsContact O-N 3.13Å; S91-I97 PolarHBondContact OG-O 2.87Å; S91-I97 VanDerWaalsContact OG-O 3.13Å; I97-V99 PolarHBondContact O-N 2.81Å |
| 98 | N | 72.2 | Confident | 75.9 | Confident | 38 Ų | 38 | 78.2 Ų | 78.2 | 20% | 0.203 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 136.1 | 171 | -158.3 | 52.2 | 0 | 0 | 0 | 108.6 | G89 W90 N100 D115 E116 | G89-N98 PolarHBondContact O-OD1 2.88Å; W90-N98 HydrophobicContact CZ3-CB 4.23Å; N98-N100 PolarHBondContact O-N 3.5Å; N98-D115 PolarHBondContact ND2-OD2 3.26Å; N98-E116 PolarHBondContact ND2-O 3.03Å |
| 99 | V | 75.5 | Confident | 75.9 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 32% | 0.321 | 38% | 0.375 | S | S | . | . | trans | -70 | 128.4 | 168.3 | 175.3 | 0 | 0 | 0 | 0 | 106.5 | G89 I97 D101 | G89-V99 WeakPolarHBondContact O-CB 3.47Å; G89-V99 WeakPolarHBondContact O-CG2 3.23Å; G89-V99 PolarHBondContact O-N 2.04Å; I97-V99 PolarHBondContact O-N 2.81Å; V99-D101 PolarHBondContact O-N 2.83Å; V99-D101 VanDerWaalsContact O-N 3.12Å | ||
| 100 | N | 74 | Confident | 76.3 | Confident | 82 Ų | 82 | 77.5 Ų | 77.5 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | trans | -81.5 | 94.7 | -179.8 | -168.9 | -73.8 | 0 | 0 | 0 | 109.9 | N98 C102 V103 D115 | N98-N100 PolarHBondContact O-N 3.5Å; N100-C102 PolarHBondContact O-N 3.3Å; N100-C102 WeakPolarHBondContact OD1-CB 3.32Å; N100-C102 PolarHBondContact OD1-N 2.94Å; N100-V103 HydrophobicContact CB-CG2 4.12Å; N100-V103 WeakPolarHBondContact O-CG2 3.38Å; N100-V103 PolarHBondContact O-N 2.03Å; N100-V103 PolarHBondContact OD1-N 3.44Å; N100-D115 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 101 | D | 79.7 | Confident | 76.4 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 24% | 0.235 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -75.2 | -18.6 | -175.9 | -67.8 | -48.8 | 0 | 0 | 0 | 111.5 | V99 V103 Q104 D115 G119 Y120 | V99-D101 PolarHBondContact O-N 2.83Å; V99-D101 VanDerWaalsContact O-N 3.12Å; D101-V103 PolarHBondContact O-N 3.1Å; D101-V103 VanDerWaalsContact O-N 3.16Å; D101-Q104 PolarHBondContact O-N 3.24Å; D101-D115 PolarHBondContact N-OD1 3.03Å; D101-G119 PolarHBondContact OD2-N 2.85Å; D101-Y120 HydrophobicContact CB-CD1 4.16Å |
| 102 | C | 76.2 | Confident | 76.8 | Confident | 23 Ų | 23 | 78.7 Ų | 78.7 | 16% | 0.155 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -67.3 | -5.7 | 170.2 | -74.4 | 0 | 0 | 0 | 0 | 115.5 | N100 Q104 H105 C113 V114 D115 | N100-C102 PolarHBondContact O-N 3.3Å; N100-C102 WeakPolarHBondContact OD1-CB 3.32Å; N100-C102 PolarHBondContact OD1-N 2.94Å; C102-Q104 PolarHBondContact O-N 3.28Å; C102-H105 PolarHBondContact O-CD2 2.96Å; C102-H105 VanDerWaalsContact O-CD2 3.26Å; C102-C113 WeakPolarHBondContact CA-SG 3.44Å; C102-C113 HydrophobicContact CB-CB 3.84Å; C102-C113 WeakPolarHBondContact CB-SG 3Å; C102-C113 WeakPolarHBondContact SG-CB 3.38Å; C102-C113 CovalentContact SG-SG 2.04Å; C102-C113 PolarHBondContact SG-SG 2.6Å; C102-V114 PolarHBondContact SG-N 2.56Å; C102-V114 VanDerWaalsContact SG-N 3.44Å; C102-D115 PolarHBondContact SG-N 3.15Å; C102-D115 VanDerWaalsContact SG-N 3.45Å |
| 103 | V | 76.6 | Confident | 77.4 | Confident | 124 Ų | 124 | 78.4 Ų | 78.4 | 75% | 0.752 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -68.1 | -21.7 | 171.8 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | N100 D101 | N100-V103 HydrophobicContact CB-CG2 4.12Å; N100-V103 WeakPolarHBondContact O-CG2 3.38Å; N100-V103 PolarHBondContact O-N 2.03Å; N100-V103 PolarHBondContact OD1-N 3.44Å; D101-V103 PolarHBondContact O-N 3.1Å; D101-V103 VanDerWaalsContact O-N 3.16Å |
| 104 | Q | 67.9 | Low | 77.8 | Confident | 170 Ų | 170 | 73.5 Ų | 73.5 | 79% | 0.794 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -141.8 | 53.5 | -179.5 | -159.4 | 170.7 | -1.4 | 0 | 0 | 112.7 | D101 C102 | D101-Q104 PolarHBondContact O-N 3.24Å; C102-Q104 PolarHBondContact O-N 3.28Å |
| 105 | H | 78.8 | Confident | 77.6 | Confident | 79 Ų | 79 | 73.9 Ų | 73.9 | 37% | 0.366 | 39% | 0.39 | S | S | . | . | trans | -80.4 | 160.1 | -177.7 | 67.9 | 65.7 | 0 | 0 | 0 | 114.9 | C102 C107 C113 Y120 | C102-H105 PolarHBondContact O-CD2 2.96Å; C102-H105 VanDerWaalsContact O-CD2 3.26Å; H105-C107 PolarHBondContact ND1-N 3.23Å; H105-C113 HydrophobicContact CB-CB 4.14Å; H105-C113 WeakPolarHBondContact CB-SG 3.47Å; H105-C113 WeakPolarHBondContact CD2-CB 3.04Å; H105-Y120 HydrophobicContact CB-CD1 4.4Å; H105-Y120 HydrophobicContact CB-CD2 3.79Å; H105-Y120 HydrophobicContact CB-CE1 4.31Å; H105-Y120 HydrophobicContact CB-CE2 3.68Å; H105-Y120 HydrophobicContact CB-CG 4.19Å | ||
| 106 | W | 79.8 | Confident | 77.4 | Confident | 175 Ų | 175 | 78.6 Ų | 78.6 | 66% | 0.663 | 41% | 0.412 | S | S | * | . | trans | -104.3 | 7.1 | 172.5 | -61.6 | -6.6 | 0 | 0 | 0 | 114 | Q108 Y120 Y132 | W106-Q108 WeakPolarHBondContact O-CG 3.39Å; W106-Q108 PolarHBondContact O-N 2.03Å; W106-Y120 WeakPolarHBondContact CB-OH 3.38Å; W106-Y120 PolarHBondContact N-OH 3.1Å; W106-Y132 HydrophobicContact CB-CD1 4.24Å; W106-Y132 HydrophobicContact CB-CG 4.38Å; W106-Y132 HydrophobicContact CE3-CE2 4.36Å | ||
| 107 | C | 81.6 | Confident | 77 | Confident | 17 Ų | 17 | 76 Ų | 76 | 12% | 0.115 | 41% | 0.41 | C | S | . | . | trans | -51.5 | 123.6 | 176.2 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | H105 A111 C122 Y132 | H105-C107 PolarHBondContact ND1-N 3.23Å; C107-A111 HydrophobicContact CB-CB 4.08Å; C107-C122 WeakPolarHBondContact CA-SG 3.12Å; C107-C122 HydrophobicContact CB-CB 3.74Å; C107-C122 WeakPolarHBondContact CB-SG 3.26Å; C107-C122 VanDerWaalsContact SG-CA 3.57Å; C107-C122 WeakPolarHBondContact SG-CB 3.37Å; C107-C122 CovalentContact SG-SG 2.03Å; C107-C122 PolarHBondContact SG-SG 3.34Å; C107-Y132 WeakPolarHBondContact CA-O 3.48Å | ||
| 108 | Q | 77.1 | Confident | 76.7 | Confident | 95 Ų | 95 | 75.7 Ų | 75.7 | 44% | 0.444 | 41% | 0.409 | S | S | . | . | trans | -103.4 | 178 | -174.3 | -50.8 | -165 | 25.5 | 0 | 0 | 111.7 | W106 G110 A111 Y132 E134 | W106-Q108 WeakPolarHBondContact O-CG 3.39Å; W106-Q108 PolarHBondContact O-N 2.03Å; Q108-G110 PolarHBondContact O-N 3.24Å; Q108-A111 WeakPolarHBondContact O-CB 3.49Å; Q108-A111 PolarHBondContact O-N 2.95Å; Q108-Y132 PolarHBondContact N-O 3.34Å; Q108-E134 HydrophobicContact CG-CB 4.28Å | ||
| 109 | N | 74.9 | Confident | 76.6 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 21.8 | 170.2 | -62.6 | -44.4 | 0 | 0 | 0 | 117 | Y128 C133 | N109-Y128 HydrophobicContact CB-CD1 3.67Å; N109-Y128 HydrophobicContact CB-CD2 3.95Å; N109-Y128 HydrophobicContact CB-CE1 3.91Å; N109-Y128 HydrophobicContact CB-CE2 4.16Å; N109-Y128 HydrophobicContact CB-CG 3.72Å; N109-Y128 WeakPolarHBondContact ND2-CD1 3.26Å; N109-C133 PolarHBondContact ND2-O 3.42Å |
| 110 | G | 75.8 | Confident | 76.7 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 68% | 0.68 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 14.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q108 | Q108-G110 PolarHBondContact O-N 3.24Š|
| 111 | A | 78.3 | Confident | 76.9 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | trans | -59 | 145.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C107 Q108 C122 L123 C133 | C107-A111 HydrophobicContact CB-CB 4.08Å; Q108-A111 WeakPolarHBondContact O-CB 3.49Å; Q108-A111 PolarHBondContact O-N 2.95Å; A111-C122 HydrophobicContact CB-CB 4.33Å; A111-L123 WeakPolarHBondContact CA-O 3.01Å; A111-L123 WeakPolarHBondContact CB-O 3.16Å; A111-C133 HydrophobicContact CB-CB 3.65Å; A111-C133 WeakPolarHBondContact CB-SG 3.31Å | ||
| 112 | T | 86.4 | Confident | 77.1 | Confident | 93 Ų | 93 | 71.3 Ų | 71.3 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.3 | 179 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | L123 | T112-L123 PolarHBondContact N-O 3.14Å; T112-L123 WeakPolarHBondContact O-CB 3.49Å; T112-L123 PolarHBondContact O-N 3.48Å |
| 113 | C | 83.6 | Confident | 77.2 | Confident | 26 Ų | 26 | 75.3 Ų | 75.3 | 18% | 0.176 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 132.5 | 174.2 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | C102 H105 | C102-C113 WeakPolarHBondContact CA-SG 3.44Å; C102-C113 HydrophobicContact CB-CB 3.84Å; C102-C113 WeakPolarHBondContact CB-SG 3Å; C102-C113 WeakPolarHBondContact SG-CB 3.38Å; C102-C113 CovalentContact SG-SG 2.04Å; C102-C113 PolarHBondContact SG-SG 2.6Å; H105-C113 HydrophobicContact CB-CB 4.14Å; H105-C113 WeakPolarHBondContact CB-SG 3.47Å; H105-C113 WeakPolarHBondContact CD2-CB 3.04Å |
| 114 | V | 83.6 | Confident | 77.4 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 32% | 0.321 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.9 | 172.5 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | C102 Y120 S121 L123 | C102-V114 PolarHBondContact SG-N 2.56Å; C102-V114 VanDerWaalsContact SG-N 3.44Å; V114-Y120 WeakPolarHBondContact O-CA 3.47Å; V114-Y120 WeakPolarHBondContact O-CB 3.06Å; V114-S121 PolarHBondContact N-O 2.88Å; V114-S121 PolarHBondContact O-N 2.81Å; V114-L123 HydrophobicContact CG2-CD1 3.47Å; V114-L123 VanDerWaalsContact CG2-CD1 3.47Å; V114-L123 HydrophobicContact CG2-CG 3.65Å |
| 115 | D | 75.9 | Confident | 77.5 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 121.1 | -178.9 | -165.1 | 49.3 | 0 | 0 | 0 | 109.7 | N98 N100 D101 C102 | N98-D115 PolarHBondContact ND2-OD2 3.26Å; N100-D115 WeakPolarHBondContact CA-OD1 3.39Å; D101-D115 PolarHBondContact N-OD1 3.03Å; C102-D115 PolarHBondContact SG-N 3.15Å; C102-D115 VanDerWaalsContact SG-N 3.45Å |
| 116 | E | 74 | Confident | 77.1 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -175.6 | 176.9 | -63.5 | -166.4 | 175.3 | 0 | 0 | 110 | N98 G119 S121 | N98-E116 PolarHBondContact ND2-O 3.03Å; E116-G119 CarbonylContact C-O 3.55Å; E116-G119 VanDerWaalsContact C-O 3.28Å; E116-G119 WeakPolarHBondContact CA-O 3.01Å; E116-G119 WeakPolarHBondContact CB-O 3.06Å; E116-G119 PolarHBondContact N-O 2.74Å; E116-S121 WeakPolarHBondContact OE1-CB 3.4Å; E116-S121 PolarHBondContact OE1-OG 3.49Å |
| 117 | I | 70.1 | Confident | 76.4 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 58% | 0.579 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 110.1 | -176.4 | -64.4 | 161.4 | 0 | 0 | 0 | 108.4 | W90 | W90-I117 HydrophobicContact CH2-CD1 4.38Å; W90-I117 HydrophobicContact CH2-CG1 4.3Å; W90-I117 HydrophobicContact CZ2-CB 4.39Å; W90-I117 HydrophobicContact CZ2-CD1 3.78Å; W90-I117 HydrophobicContact CZ2-CG1 3.72Å; W90-I117 HydrophobicContact CZ2-CG2 3.73Å |
| 118 | D | 68.9 | Low | 75.9 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 42.6 | -174.6 | -156.6 | 30.8 | 0 | 0 | 0 | 113.5 | H88 G89 | H88-D118 VanDerWaalsContact C-CG 3.43Å; H88-D118 VanDerWaalsContact C-OD1 3.32Å; H88-D118 VanDerWaalsContact CB-CG 3.46Å; H88-D118 WeakPolarHBondContact CB-OD1 2.99Å; H88-D118 WeakPolarHBondContact CB-OD2 3.41Å; G89-D118 VanDerWaalsContact CA-CA 3.47Å; G89-D118 VanDerWaalsContact N-CG 3.33Å; G89-D118 PolarHBondContact N-OD1 3.48Å |
| 119 | G | 70.1 | Confident | 75.7 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.1 | 177.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | D101 E116 | D101-G119 PolarHBondContact OD2-N 2.85Å; E116-G119 CarbonylContact C-O 3.55Å; E116-G119 VanDerWaalsContact C-O 3.28Å; E116-G119 WeakPolarHBondContact CA-O 3.01Å; E116-G119 WeakPolarHBondContact CB-O 3.06Å; E116-G119 PolarHBondContact N-O 2.74Å |
| 120 | Y | 78.3 | Confident | 75.4 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 19% | 0.192 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149.3 | 174.1 | 64.6 | -89.9 | 0 | 0 | 0 | 109.8 | D101 H105 W106 V114 Y132 | D101-Y120 HydrophobicContact CB-CD1 4.16Å; H105-Y120 HydrophobicContact CB-CD1 4.4Å; H105-Y120 HydrophobicContact CB-CD2 3.79Å; H105-Y120 HydrophobicContact CB-CE1 4.31Å; H105-Y120 HydrophobicContact CB-CE2 3.68Å; H105-Y120 HydrophobicContact CB-CG 4.19Å; W106-Y120 WeakPolarHBondContact CB-OH 3.38Å; W106-Y120 PolarHBondContact N-OH 3.1Å; V114-Y120 WeakPolarHBondContact O-CA 3.47Å; V114-Y120 WeakPolarHBondContact O-CB 3.06Å; Y120-Y132 HydrophobicContact CE2-CD1 4.03Å; Y120-Y132 HydrophobicContact CE2-CE1 4.07Å; Y120-Y132 WeakPolarHBondContact OH-CE1 3.47Å |
| 121 | S | 77.4 | Confident | 75.5 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 155.3 | 169.4 | 60.9 | 0 | 0 | 0 | 0 | 111 | V114 E116 | V114-S121 PolarHBondContact N-O 2.88Å; V114-S121 PolarHBondContact O-N 2.81Å; E116-S121 WeakPolarHBondContact OE1-CB 3.4Å; E116-S121 PolarHBondContact OE1-OG 3.49Å |
| 122 | C | 84 | Confident | 75.6 | Confident | 16 Ų | 16 | 59.9 Ų | 59.9 | 11% | 0.108 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 111 | -179.7 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | C107 A111 C124 C133 | C107-C122 WeakPolarHBondContact CA-SG 3.12Å; C107-C122 HydrophobicContact CB-CB 3.74Å; C107-C122 WeakPolarHBondContact CB-SG 3.26Å; C107-C122 VanDerWaalsContact SG-CA 3.57Å; C107-C122 WeakPolarHBondContact SG-CB 3.37Å; C107-C122 CovalentContact SG-SG 2.03Å; C107-C122 PolarHBondContact SG-SG 3.34Å; A111-C122 HydrophobicContact CB-CB 4.33Å; C122-C124 PolarHBondContact O-N 3.35Å; C122-C124 VanDerWaalsContact O-N 3.14Å; C122-C133 VanDerWaalsContact CB-SG 3.52Å; C122-C133 PolarHBondContact O-SG 3.15Å; C122-C133 VanDerWaalsContact O-SG 3.39Å |
| 123 | L | 78.5 | Confident | 75.1 | Confident | 107 Ų | 107 | 55.5 Ų | 55.5 | 56% | 0.56 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 102.8 | 169.2 | -69.2 | 179.9 | 0 | 0 | 0 | 108.9 | A111 T112 V114 | A111-L123 WeakPolarHBondContact CA-O 3.01Å; A111-L123 WeakPolarHBondContact CB-O 3.16Å; T112-L123 PolarHBondContact N-O 3.14Å; T112-L123 WeakPolarHBondContact O-CB 3.49Å; T112-L123 PolarHBondContact O-N 3.48Å; V114-L123 HydrophobicContact CG2-CD1 3.47Å; V114-L123 VanDerWaalsContact CG2-CD1 3.47Å; V114-L123 HydrophobicContact CG2-CG 3.65Å |
| 124 | C | 80.2 | Confident | 74.8 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 32% | 0.324 | 33% | 0.326 | S | S | . | . | trans | -66.4 | 137.6 | -179.8 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | C122 Y128 C133 | C122-C124 PolarHBondContact O-N 3.35Å; C122-C124 VanDerWaalsContact O-N 3.14Å; C124-Y128 WeakPolarHBondContact CB-O 3Å; C124-C133 WeakPolarHBondContact CA-SG 3.29Å; C124-C133 HydrophobicContact CB-CB 3.74Å; C124-C133 WeakPolarHBondContact CB-SG 3.05Å; C124-C133 PolarHBondContact N-SG 3.01Å; C124-C133 VanDerWaalsContact SG-CA 3.5Å; C124-C133 WeakPolarHBondContact SG-CB 3.38Å; C124-C133 CovalentContact SG-SG 2.04Å; C124-C133 PolarHBondContact SG-SG 2.93Å | ||
| 125 | P | 69.9 | Low | 74.1 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | trans | -64.6 | 157.4 | 165.3 | -10.4 | 29 | 0 | 0 | 0 | 108.3 | G127 Y128 | P125-G127 PolarHBondContact O-N 3.02Å; P125-Y128 PolarHBondContact O-N 3.45Å; P125-Y128 VanDerWaalsContact O-N 3.17Å | ||
| 126 | S | 70.9 | Confident | 73.5 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 69% | 0.685 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.7 | 133.5 | 168.4 | -49.6 | 0 | 0 | 0 | 0 | 110.1 | Y156 | S126-Y156 WeakPolarHBondContact O-CD1 3.39Å; S126-Y156 WeakPolarHBondContact O-CE1 3.2Å |
| 127 | G | 64.3 | Low | 73 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -10.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | P125 I137 Y139 | P125-G127 PolarHBondContact O-N 3.02Å; G127-I137 PolarHBondContact O-N 3.38Å; G127-Y139 WeakPolarHBondContact CA-OH 3.06Å; G127-Y139 PolarHBondContact N-OH 2.82Å |
| 128 | Y | 72.8 | Confident | 72.7 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146.6 | -179.2 | -60.2 | -79.6 | 0 | 0 | 0 | 112.2 | N109 C124 P125 Q135 D136 Y156 | N109-Y128 HydrophobicContact CB-CD1 3.67Å; N109-Y128 HydrophobicContact CB-CD2 3.95Å; N109-Y128 HydrophobicContact CB-CE1 3.91Å; N109-Y128 HydrophobicContact CB-CE2 4.16Å; N109-Y128 HydrophobicContact CB-CG 3.72Å; N109-Y128 WeakPolarHBondContact ND2-CD1 3.26Å; C124-Y128 WeakPolarHBondContact CB-O 3Å; P125-Y128 PolarHBondContact O-N 3.45Å; P125-Y128 VanDerWaalsContact O-N 3.17Å; Y128-Q135 CarbonylContact C-O 3.58Å; Y128-Q135 VanDerWaalsContact CA-O 3.3Å; Y128-Q135 WeakPolarHBondContact CA-O 3.44Å; Y128-D136 HydrophobicContact CD1-CB 4.48Å; Y128-D136 HydrophobicContact CE1-CB 4.29Å; Y128-D136 WeakPolarHBondContact CE1-OD2 3.12Å; Y128-D136 PolarHBondContact OH-OD2 3.04Å; Y128-Y156 HydrophobicContact CE2-CE1 4.27Å |
| 129 | T | 72.6 | Confident | 72.6 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | -177.7 | -179.8 | -168 | 0 | 0 | 0 | 0 | 110.6 | C133 E134 Q135 I137 | T129-C133 CarbonylContact O-C 3.52Å; T129-C133 VanDerWaalsContact O-CA 3.27Å; T129-C133 WeakPolarHBondContact O-CA 3.34Å; T129-E134 PolarHBondContact O-N 3.27Å; T129-Q135 HydrophobicContact CG2-CB 3.93Å; T129-Q135 PolarHBondContact N-O 2.83Å; T129-Q135 WeakPolarHBondContact O-CB 3.43Å; T129-Q135 PolarHBondContact O-N 2.88Å; T129-I137 HydrophobicContact CG2-CG1 3.74Å |
| 130 | G | 68.8 | Low | 72.4 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 24% | 0.237 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 89.7 | 162.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y132 C133 | G130-Y132 PolarHBondContact O-N 2.04Å; G130-C133 PolarHBondContact O-N 3.29Å |
| 131 | V | 77 | Confident | 71.6 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 67% | 0.667 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.1 | -169.4 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | E134 | V131-E134 PolarHBondContact N-OE2 3.05Š|
| 132 | Y | 81.6 | Confident | 70.6 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 33% | 0.329 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 16.5 | 176.6 | -52.4 | -63.8 | 0 | 0 | 0 | 112.5 | W106 C107 Q108 Y120 G130 E134 | W106-Y132 HydrophobicContact CB-CD1 4.24Å; W106-Y132 HydrophobicContact CB-CG 4.38Å; W106-Y132 HydrophobicContact CE3-CE2 4.36Å; C107-Y132 WeakPolarHBondContact CA-O 3.48Å; Q108-Y132 PolarHBondContact N-O 3.34Å; Y120-Y132 HydrophobicContact CE2-CD1 4.03Å; Y120-Y132 HydrophobicContact CE2-CE1 4.07Å; Y120-Y132 WeakPolarHBondContact OH-CE1 3.47Å; G130-Y132 PolarHBondContact O-N 2.04Å; Y132-E134 VanDerWaalsContact C-OE2 3.29Å; Y132-E134 VanDerWaalsContact CA-OE2 3.28Å; Y132-E134 WeakPolarHBondContact CA-OE2 3.31Å; Y132-E134 WeakPolarHBondContact CB-OE2 3.5Å; Y132-E134 PolarHBondContact N-OE2 2.81Å; Y132-E134 PolarHBondContact O-N 3.19Å |
| 133 | C | 75.6 | Confident | 69.2 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 57.9 | 30.9 | -174.6 | -47.5 | 0 | 0 | 0 | 0 | 113.4 | N109 A111 C122 C124 T129 G130 | N109-C133 PolarHBondContact ND2-O 3.42Å; A111-C133 HydrophobicContact CB-CB 3.65Å; A111-C133 WeakPolarHBondContact CB-SG 3.31Å; C122-C133 VanDerWaalsContact CB-SG 3.52Å; C122-C133 PolarHBondContact O-SG 3.15Å; C122-C133 VanDerWaalsContact O-SG 3.39Å; C124-C133 WeakPolarHBondContact CA-SG 3.29Å; C124-C133 HydrophobicContact CB-CB 3.74Å; C124-C133 WeakPolarHBondContact CB-SG 3.05Å; C124-C133 PolarHBondContact N-SG 3.01Å; C124-C133 VanDerWaalsContact SG-CA 3.5Å; C124-C133 WeakPolarHBondContact SG-CB 3.38Å; C124-C133 CovalentContact SG-SG 2.04Å; C124-C133 PolarHBondContact SG-SG 2.93Å; T129-C133 CarbonylContact O-C 3.52Å; T129-C133 VanDerWaalsContact O-CA 3.27Å; T129-C133 WeakPolarHBondContact O-CA 3.34Å; G130-C133 PolarHBondContact O-N 3.29Å |
| 134 | E | 75.6 | Confident | 68.6 | Low | 66 Ų | 66 | 71.1 Ų | 71.1 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | trans | -81.2 | -15.1 | -176.8 | 74.9 | -70.5 | 169.4 | 0 | 0 | 113.9 | Q108 T129 V131 Y132 | Q108-E134 HydrophobicContact CG-CB 4.28Å; T129-E134 PolarHBondContact O-N 3.27Å; V131-E134 PolarHBondContact N-OE2 3.05Å; Y132-E134 VanDerWaalsContact C-OE2 3.29Å; Y132-E134 VanDerWaalsContact CA-OE2 3.28Å; Y132-E134 WeakPolarHBondContact CA-OE2 3.31Å; Y132-E134 WeakPolarHBondContact CB-OE2 3.5Å; Y132-E134 PolarHBondContact N-OE2 2.81Å; Y132-E134 PolarHBondContact O-N 3.19Å | ||
| 135 | Q | 70.6 | Confident | 68.1 | Low | 105 Ų | 105 | 70 Ų | 70 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.8 | -176.6 | -49.3 | 177.9 | 25.2 | 0 | 0 | 109 | Y128 T129 | Y128-Q135 CarbonylContact C-O 3.58Å; Y128-Q135 VanDerWaalsContact CA-O 3.3Å; Y128-Q135 WeakPolarHBondContact CA-O 3.44Å; T129-Q135 HydrophobicContact CG2-CB 3.93Å; T129-Q135 PolarHBondContact N-O 2.83Å; T129-Q135 WeakPolarHBondContact O-CB 3.43Å; T129-Q135 PolarHBondContact O-N 2.88Å |
| 136 | D | 62.5 | Low | 68.1 | Low | 78 Ų | 78 | 69.1 Ų | 69.1 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 146.3 | 165.9 | -138.4 | -56.6 | 0 | 0 | 0 | 108.1 | Y128 D138 | Y128-D136 HydrophobicContact CD1-CB 4.48Å; Y128-D136 HydrophobicContact CE1-CB 4.29Å; Y128-D136 WeakPolarHBondContact CE1-OD2 3.12Å; Y128-D136 PolarHBondContact OH-OD2 3.04Å; D136-D138 PolarHBondContact O-N 3.22Å |
| 137 | I | 64.1 | Low | 68.1 | Low | 52 Ų | 52 | 72.5 Ų | 72.5 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | trans | -80.7 | 103.7 | 175.3 | -66.5 | 172.6 | 0 | 0 | 0 | 107.2 | G127 T129 Y139 | G127-I137 PolarHBondContact O-N 3.38Å; T129-I137 HydrophobicContact CG2-CG1 3.74Å; I137-Y139 HydrophobicContact CB-CD2 4.46Å; I137-Y139 HydrophobicContact CB-CE1 4.46Å; I137-Y139 HydrophobicContact CB-CE2 3.95Å; I137-Y139 HydrophobicContact CG2-CD1 3.95Å; I137-Y139 HydrophobicContact CG2-CD2 4.2Å; I137-Y139 HydrophobicContact CG2-CE1 3.73Å; I137-Y139 HydrophobicContact CG2-CE2 3.97Å; I137-Y139 HydrophobicContact CG2-CG 4.18Å; I137-Y139 WeakPolarHBondContact O-CD2 3.24Å; I137-Y139 VanDerWaalsContact O-CE2 3.29Å; I137-Y139 WeakPolarHBondContact O-CE2 3.4Å; I137-Y139 PolarHBondContact O-N 3.12Å | ||
| 138 | D | 62.2 | Low | 68.7 | Low | 88 Ų | 88 | 75.1 Ų | 75.1 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | trans | -67.9 | 101.2 | 169.3 | -177.3 | -17.2 | 0 | 0 | 0 | 109 | D136 C140 V141 | D136-D138 PolarHBondContact O-N 3.22Å; D138-C140 PolarHBondContact O-N 2.98Å; D138-C140 VanDerWaalsContact O-N 3.1Å; D138-C140 WeakPolarHBondContact OD1-CA 3.02Å; D138-C140 VanDerWaalsContact OD1-CB 3.28Å; D138-C140 WeakPolarHBondContact OD1-CB 3.39Å; D138-C140 PolarHBondContact OD1-N 2.92Å; D138-V141 HydrophobicContact CB-CG2 3.89Å; D138-V141 PolarHBondContact O-N 2.75Å | ||
| 139 | Y | 66.8 | Low | 68.8 | Low | 63 Ų | 63 | 74.7 Ų | 74.7 | 25% | 0.247 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 2.5 | -177.1 | -70.3 | -81.9 | 0 | 0 | 0 | 113.2 | G127 I137 D153 | G127-Y139 WeakPolarHBondContact CA-OH 3.06Å; G127-Y139 PolarHBondContact N-OH 2.82Å; I137-Y139 HydrophobicContact CB-CD2 4.46Å; I137-Y139 HydrophobicContact CB-CE1 4.46Å; I137-Y139 HydrophobicContact CB-CE2 3.95Å; I137-Y139 HydrophobicContact CG2-CD1 3.95Å; I137-Y139 HydrophobicContact CG2-CD2 4.2Å; I137-Y139 HydrophobicContact CG2-CE1 3.73Å; I137-Y139 HydrophobicContact CG2-CE2 3.97Å; I137-Y139 HydrophobicContact CG2-CG 4.18Å; I137-Y139 WeakPolarHBondContact O-CD2 3.24Å; I137-Y139 VanDerWaalsContact O-CE2 3.29Å; I137-Y139 WeakPolarHBondContact O-CE2 3.4Å; I137-Y139 PolarHBondContact O-N 3.12Å; Y139-D153 PolarHBondContact N-OD1 3.38Å |
| 140 | C | 66.9 | Low | 69.1 | Low | 32 Ų | 32 | 74.7 Ų | 74.7 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -8.3 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 115.2 | D138 D142 S143 C151 D153 | D138-C140 PolarHBondContact O-N 2.98Å; D138-C140 VanDerWaalsContact O-N 3.1Å; D138-C140 WeakPolarHBondContact OD1-CA 3.02Å; D138-C140 VanDerWaalsContact OD1-CB 3.28Å; D138-C140 WeakPolarHBondContact OD1-CB 3.39Å; D138-C140 PolarHBondContact OD1-N 2.92Å; C140-D142 VanDerWaalsContact C-N 3.32Å; C140-D142 PolarHBondContact O-N 3.4Å; C140-S143 WeakPolarHBondContact O-CB 3.47Å; C140-S143 PolarHBondContact O-N 2.8Å; C140-C151 WeakPolarHBondContact CA-SG 3.2Å; C140-C151 HydrophobicContact CB-CB 3.7Å; C140-C151 WeakPolarHBondContact CB-SG 3.4Å; C140-C151 WeakPolarHBondContact SG-CB 3.22Å; C140-C151 CovalentContact SG-SG 2.03Å; C140-C151 PolarHBondContact SG-SG 3.23Å; C140-D153 PolarHBondContact SG-N 3.28Å; C140-D153 VanDerWaalsContact SG-N 3.43Å |
| 141 | V | 61.3 | Low | 69.6 | Low | 113 Ų | 113 | 75 Ų | 75 | 69% | 0.685 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -29.1 | -176.2 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | D138 | D138-V141 HydrophobicContact CB-CG2 3.89Å; D138-V141 PolarHBondContact O-N 2.75Å |
| 142 | D | 56.3 | Low | 69.7 | Low | 155 Ų | 155 | 72.9 Ų | 72.9 | 83% | 0.829 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | 34.8 | 175.4 | -81.6 | -40.9 | 0 | 0 | 0 | 111.9 | C140 | C140-D142 VanDerWaalsContact C-N 3.32Å; C140-D142 PolarHBondContact O-N 3.4Å |
| 143 | S | 55.3 | Low | 69.1 | Low | 42 Ų | 42 | 72.4 Ų | 72.4 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | trans | -64.1 | 141.7 | -165.3 | -163.3 | 0 | 0 | 0 | 0 | 115.1 | C140 C145 C151 | C140-S143 WeakPolarHBondContact O-CB 3.47Å; C140-S143 PolarHBondContact O-N 2.8Å; S143-C145 PolarHBondContact OG-N 2.94Å; S143-C145 PolarHBondContact OG-SG 2.93Å; S143-C151 PolarHBondContact OG-SG 3.34Å | ||
| 144 | R | 64.2 | Low | 68.5 | Low | 203 Ų | 203 | 76.9 Ų | 76.9 | 77% | 0.766 | 40% | 0.395 | S | S | * | . | trans | -99 | 14.3 | 173.6 | -52 | -174.7 | -164.8 | -172.4 | 3.3 | 113.9 | L170 | R144-L170 HydrophobicContact CB-CD2 4.39Š| ||
| 145 | C | 70.1 | Confident | 67.4 | Low | 24 Ų | 24 | 81.8 Ų | 81.8 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | trans | -57.7 | 140.8 | 167.5 | -58.9 | 0 | 0 | 0 | 0 | 109 | S143 C160 | S143-C145 PolarHBondContact OG-N 2.94Å; S143-C145 PolarHBondContact OG-SG 2.93Å; C145-C160 WeakPolarHBondContact CA-SG 3.38Å; C145-C160 HydrophobicContact CB-CB 3.91Å; C145-C160 WeakPolarHBondContact CB-SG 3.29Å; C145-C160 VanDerWaalsContact SG-CA 3.56Å; C145-C160 WeakPolarHBondContact SG-CB 3.34Å; C145-C160 CovalentContact SG-SG 2.03Å; C145-C160 PolarHBondContact SG-SG 3.42Å | ||
| 146 | S | 69.8 | Low | 66.8 | Low | 28 Ų | 28 | 82 Ų | 82 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | trans | -62.3 | 164.6 | 170.2 | 101.5 | 0 | 0 | 0 | 0 | 110 | H148 G149 L170 C171 | S146-H148 PolarHBondContact O-N 2.04Å; S146-H148 WeakPolarHBondContact OG-CB 3.37Å; S146-H148 PolarHBondContact OG-N 3.42Å; S146-H148 PolarHBondContact OG-ND1 3.42Å; S146-G149 PolarHBondContact O-N 3.01Å; S146-L170 PolarHBondContact N-O 2.92Å; S146-C171 WeakPolarHBondContact CB-O 3.22Å; S146-C171 PolarHBondContact OG-O 3.25Å | ||
| 147 | E | 72.8 | Confident | 66.7 | Low | 169 Ų | 169 | 82.7 Ų | 82.7 | 79% | 0.79 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -15.1 | 173.7 | 65.2 | -158.8 | 135.6 | 0 | 0 | 114 | M163 | E147-M163 VanDerWaalsContact O-CE 3.28Å; E147-M163 WeakPolarHBondContact O-CE 3.35Å |
| 148 | H | 75.3 | Confident | 66.9 | Low | 55 Ų | 55 | 82.3 Ų | 82.3 | 26% | 0.255 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 14.4 | 176 | -45.6 | 94.9 | 0 | 0 | 0 | 113.7 | S146 M163 Y166 | S146-H148 PolarHBondContact O-N 2.04Å; S146-H148 WeakPolarHBondContact OG-CB 3.37Å; S146-H148 PolarHBondContact OG-N 3.42Å; S146-H148 PolarHBondContact OG-ND1 3.42Å; H148-M163 WeakPolarHBondContact O-CB 3.21Å; H148-M163 WeakPolarHBondContact O-CG 3.01Å; H148-M163 PolarHBondContact O-N 2.96Å; H148-Y166 HydrophobicContact CB-CD1 3.89Å; H148-Y166 HydrophobicContact CB-CD2 3.57Å; H148-Y166 HydrophobicContact CB-CE1 4.11Å; H148-Y166 HydrophobicContact CB-CE2 3.81Å; H148-Y166 HydrophobicContact CB-CG 3.61Å; H148-Y166 AromaticContact CD2-CE1 3.94Å; H148-Y166 AromaticContact CD2-CE2 3.47Å; H148-Y166 VanDerWaalsContact CD2-CE2 3.47Å; H148-Y166 WeakPolarHBondContact CD2-CE2 3.45Å; H148-Y166 AromaticContact CD2-CZ 3.33Å; H148-Y166 PolarHBondContact CD2-OH 3.37Å; H148-Y166 AromaticContact CG-CD1 3.94Å; H148-Y166 AromaticContact CG-CD2 3.96Å; H148-Y166 AromaticContact CG-CE1 3.65Å; H148-Y166 AromaticContact CG-CE2 3.66Å; H148-Y166 AromaticContact CG-CZ 3.51Å; H148-Y166 AromaticContact ND1-CE1 3.77Å; H148-Y166 AromaticContact ND1-CZ 3.97Å; H148-Y166 AromaticContact NE2-CZ 3.73Å; H148-Y166 PolarHBondContact NE2-OH 2.86Å |
| 149 | G | 74.8 | Confident | 67.5 | Low | 14 Ų | 14 | 81 Ų | 81 | 14% | 0.144 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | S146 | S146-G149 PolarHBondContact O-N 3.01Å |
| 150 | V | 80.5 | Confident | 68.1 | Low | 65 Ų | 65 | 78.4 Ų | 78.4 | 39% | 0.394 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 116.9 | 170.8 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | L152 R161 | V150-L152 PolarHBondContact O-N 2.85Å; V150-R161 PolarHBondContact N-O 2.98Å; V150-R161 PolarHBondContact O-N 3.3Å |
| 151 | C | 78.9 | Confident | 68.8 | Low | 28 Ų | 28 | 84 Ų | 84 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 129.9 | 174.1 | -172.5 | 0 | 0 | 0 | 0 | 111 | C140 S143 F158 | C140-C151 WeakPolarHBondContact CA-SG 3.2Å; C140-C151 HydrophobicContact CB-CB 3.7Å; C140-C151 WeakPolarHBondContact CB-SG 3.4Å; C140-C151 WeakPolarHBondContact SG-CB 3.22Å; C140-C151 CovalentContact SG-SG 2.03Å; C140-C151 PolarHBondContact SG-SG 3.23Å; S143-C151 PolarHBondContact OG-SG 3.34Å; C151-F158 VanDerWaalsContact SG-CB 3.59Å |
| 152 | L | 77.6 | Confident | 69.7 | Low | 67 Ų | 67 | 80.5 Ų | 80.5 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.7 | 170.5 | -59.8 | -179.7 | 0 | 0 | 0 | 108.4 | V150 T159 R161 | V150-L152 PolarHBondContact O-N 2.85Å; L152-T159 WeakPolarHBondContact CB-O 3.36Å; L152-T159 PolarHBondContact N-O 3.48Å; L152-T159 PolarHBondContact O-N 2.98Å; L152-R161 HydrophobicContact CD1-CB 3.74Å; L152-R161 HydrophobicContact CG-CB 4.11Å |
| 153 | D | 69.4 | Low | 70.8 | Confident | 73 Ų | 73 | 77.8 Ų | 77.8 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 138.3 | 174.8 | -177.5 | 57.1 | 0 | 0 | 0 | 110.9 | Y139 C140 | Y139-D153 PolarHBondContact N-OD1 3.38Å; C140-D153 PolarHBondContact SG-N 3.28Å; C140-D153 VanDerWaalsContact SG-N 3.43Å |
| 154 | Q | 64.1 | Low | 71.5 | Confident | 94 Ų | 94 | 82.7 Ų | 82.7 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 160.3 | 174.5 | -57.8 | -172.9 | 1.5 | 0 | 0 | 110.4 | Y156 N157 T159 | Q154-Y156 PolarHBondContact O-N 3.04Å; Q154-N157 CarbonylContact C-O 3.24Å; Q154-N157 VanDerWaalsContact C-O 3.28Å; Q154-N157 VanDerWaalsContact CA-O 3.26Å; Q154-N157 WeakPolarHBondContact CA-O 3.45Å; Q154-N157 VanDerWaalsContact CB-O 3.23Å; Q154-N157 WeakPolarHBondContact CB-O 3.45Å; Q154-N157 PolarHBondContact N-O 2.75Å; Q154-N157 PolarHBondContact O-N 3.37Å; Q154-T159 PolarHBondContact NE2-OG1 3.22Å |
| 155 | R | 52.5 | Low | 71.7 | Confident | 170 Ų | 170 | 73.3 Ų | 73.3 | 64% | 0.642 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 105.5 | 177.2 | -151.7 | -178 | -167.5 | -151.3 | -1.4 | 110.3 | ||
| 156 | Y | 56.8 | Low | 72.2 | Confident | 110 Ų | 110 | 74.1 Ų | 74.1 | 43% | 0.431 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 8 | 179.2 | -36.2 | -53.9 | 0 | 0 | 0 | 117.3 | S126 Y128 Q154 | S126-Y156 WeakPolarHBondContact O-CD1 3.39Å; S126-Y156 WeakPolarHBondContact O-CE1 3.2Å; Y128-Y156 HydrophobicContact CE2-CE1 4.27Å; Q154-Y156 PolarHBondContact O-N 3.04Å |
| 157 | N | 60 | Low | 72.5 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 167.4 | 176.8 | -166.9 | 17.7 | 0 | 0 | 0 | 110.8 | Q154 | Q154-N157 CarbonylContact C-O 3.24Å; Q154-N157 VanDerWaalsContact C-O 3.28Å; Q154-N157 VanDerWaalsContact CA-O 3.26Å; Q154-N157 WeakPolarHBondContact CA-O 3.45Å; Q154-N157 VanDerWaalsContact CB-O 3.23Å; Q154-N157 WeakPolarHBondContact CB-O 3.45Å; Q154-N157 PolarHBondContact N-O 2.75Å; Q154-N157 PolarHBondContact O-N 3.37Å |
| 158 | F | 69.5 | Low | 72.6 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 20% | 0.197 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 165.1 | 163.2 | 68.1 | -76.2 | 0 | 0 | 0 | 111.8 | C151 L170 | C151-F158 VanDerWaalsContact SG-CB 3.59Å; F158-L170 HydrophobicContact CE2-CD2 3.87Å; F158-L170 HydrophobicContact CZ-CD2 3.91Å |
| 159 | T | 73.8 | Confident | 72.6 | Confident | 59 Ų | 59 | 74 Ų | 74 | 36% | 0.362 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 126.8 | 166.6 | -66.8 | 0 | 0 | 0 | 0 | 109.5 | L152 Q154 R161 | L152-T159 WeakPolarHBondContact CB-O 3.36Å; L152-T159 PolarHBondContact N-O 3.48Å; L152-T159 PolarHBondContact O-N 2.98Å; Q154-T159 PolarHBondContact NE2-OG1 3.22Å; T159-R161 PolarHBondContact O-N 3.09Å |
| 160 | C | 81.1 | Confident | 72.9 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 118.6 | 172.8 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | C145 C162 C171 | C145-C160 WeakPolarHBondContact CA-SG 3.38Å; C145-C160 HydrophobicContact CB-CB 3.91Å; C145-C160 WeakPolarHBondContact CB-SG 3.29Å; C145-C160 VanDerWaalsContact SG-CA 3.56Å; C145-C160 WeakPolarHBondContact SG-CB 3.34Å; C145-C160 CovalentContact SG-SG 2.03Å; C145-C160 PolarHBondContact SG-SG 3.42Å; C160-C162 PolarHBondContact O-N 3.48Å; C160-C171 WeakPolarHBondContact CB-SG 3.13Å |
| 161 | R | 80 | Confident | 72.8 | Confident | 150 Ų | 150 | 72.8 Ų | 72.8 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 105.1 | 165 | -179.9 | -178.9 | 62.7 | -167.7 | -4.1 | 107.8 | V150 L152 T159 | V150-R161 PolarHBondContact N-O 2.98Å; V150-R161 PolarHBondContact O-N 3.3Å; L152-R161 HydrophobicContact CD1-CB 3.74Å; L152-R161 HydrophobicContact CG-CB 4.11Å; T159-R161 PolarHBondContact O-N 3.09Å |
| 162 | C | 81.4 | Confident | 72.8 | Confident | 38 Ų | 38 | 76.1 Ų | 76.1 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 145.8 | -178.3 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | C160 Y166 C171 | C160-C162 PolarHBondContact O-N 3.48Å; C162-Y166 WeakPolarHBondContact CB-O 3.01Å; C162-C171 WeakPolarHBondContact CA-SG 3.39Å; C162-C171 HydrophobicContact CB-CB 3.66Å; C162-C171 WeakPolarHBondContact CB-SG 3.16Å; C162-C171 PolarHBondContact N-SG 2.86Å; C162-C171 WeakPolarHBondContact SG-CA 3.25Å; C162-C171 WeakPolarHBondContact SG-CB 3.28Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 2.04Å |
| 163 | M | 78.1 | Confident | 72.9 | Confident | 98 Ų | 98 | 76.2 Ų | 76.2 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 157.9 | 160.1 | -60.4 | -172.3 | -154.5 | 0 | 0 | 108.4 | E147 H148 G165 Y166 | E147-M163 VanDerWaalsContact O-CE 3.28Å; E147-M163 WeakPolarHBondContact O-CE 3.35Å; H148-M163 WeakPolarHBondContact O-CB 3.21Å; H148-M163 WeakPolarHBondContact O-CG 3.01Å; H148-M163 PolarHBondContact O-N 2.96Å; M163-G165 PolarHBondContact O-N 3.03Å; M163-Y166 PolarHBondContact O-N 2.03Å |
| 164 | L | 71.8 | Confident | 73 | Confident | 145 Ų | 145 | 77.3 Ų | 77.3 | 76% | 0.759 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 141.5 | 177 | -58.4 | 170.4 | 0 | 0 | 0 | 109.1 | S194 | L164-S194 WeakPolarHBondContact CB-OG 3.46Å; L164-S194 WeakPolarHBondContact O-CB 3.47Å |
| 165 | G | 66.9 | Low | 73.5 | Confident | 6 Ų | 6 | 73.6 Ų | 73.6 | 6% | 0.062 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -0.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | M163 A175 S194 | M163-G165 PolarHBondContact O-N 3.03Å; G165-A175 PolarHBondContact O-N 3.25Å; G165-S194 VanDerWaalsContact CA-CA 3.4Å; G165-S194 VanDerWaalsContact CA-N 3.25Å |
| 166 | Y | 81 | Confident | 74.7 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 16% | 0.161 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142 | -179.6 | -63.6 | -90.6 | 0 | 0 | 0 | 112 | H148 C162 M163 V173 I193 | H148-Y166 HydrophobicContact CB-CD1 3.89Å; H148-Y166 HydrophobicContact CB-CD2 3.57Å; H148-Y166 HydrophobicContact CB-CE1 4.11Å; H148-Y166 HydrophobicContact CB-CE2 3.81Å; H148-Y166 HydrophobicContact CB-CG 3.61Å; H148-Y166 AromaticContact CD2-CE1 3.94Å; H148-Y166 AromaticContact CD2-CE2 3.47Å; H148-Y166 VanDerWaalsContact CD2-CE2 3.47Å; H148-Y166 WeakPolarHBondContact CD2-CE2 3.45Å; H148-Y166 AromaticContact CD2-CZ 3.33Å; H148-Y166 PolarHBondContact CD2-OH 3.37Å; H148-Y166 AromaticContact CG-CD1 3.94Å; H148-Y166 AromaticContact CG-CD2 3.96Å; H148-Y166 AromaticContact CG-CE1 3.65Å; H148-Y166 AromaticContact CG-CE2 3.66Å; H148-Y166 AromaticContact CG-CZ 3.51Å; H148-Y166 AromaticContact ND1-CE1 3.77Å; H148-Y166 AromaticContact ND1-CZ 3.97Å; H148-Y166 AromaticContact NE2-CZ 3.73Å; H148-Y166 PolarHBondContact NE2-OH 2.86Å; C162-Y166 WeakPolarHBondContact CB-O 3.01Å; M163-Y166 PolarHBondContact O-N 2.03Å; Y166-V173 CarbonylContact C-O 3.31Å; Y166-V173 VanDerWaalsContact CA-O 3.32Å; Y166-V173 WeakPolarHBondContact CA-O 3.26Å; Y166-I193 HydrophobicContact CE2-CG2 3.52Å; Y166-I193 WeakPolarHBondContact OH-CG2 3.46Å |
| 167 | E | 76.8 | Confident | 75.9 | Confident | 102 Ų | 102 | 65 Ų | 65 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | -173.5 | 178 | 71.2 | 177.8 | 169.7 | 0 | 0 | 112.1 | C171 V173 A175 | E167-C171 WeakPolarHBondContact O-CA 3.29Å; E167-V173 HydrophobicContact CG-CB 4.24Å; E167-V173 HydrophobicContact CG-CG1 4.18Å; E167-V173 PolarHBondContact N-O 3.42Å; E167-V173 PolarHBondContact O-N 3.47Å; E167-A175 HydrophobicContact CB-CB 3.98Å; E167-A175 HydrophobicContact CG-CB 3.91Å |
| 168 | G | 74.2 | Confident | 76.9 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 85.4 | 169 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L170 C171 | G168-L170 VanDerWaalsContact C-N 3.29Å; G168-L170 PolarHBondContact O-N 3.14Å; G168-C171 PolarHBondContact O-N 3.2Å |
| 169 | P | 75.5 | Confident | 77.4 | Confident | 111 Ų | 111 | 65 Ų | 65 | 72% | 0.721 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20 | -172.3 | 29.6 | -35.3 | 0 | 0 | 0 | 113.9 | ||
| 170 | L | 80.8 | Confident | 77.6 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 5.1 | 177.7 | -59.9 | 177.4 | 0 | 0 | 0 | 113.2 | R144 S146 F158 G168 D172 | R144-L170 HydrophobicContact CB-CD2 4.39Å; S146-L170 PolarHBondContact N-O 2.92Å; F158-L170 HydrophobicContact CE2-CD2 3.87Å; F158-L170 HydrophobicContact CZ-CD2 3.91Å; G168-L170 VanDerWaalsContact C-N 3.29Å; G168-L170 PolarHBondContact O-N 3.14Å; L170-D172 HydrophobicContact CB-CB 4.36Å; L170-D172 PolarHBondContact O-N 3.48Å |
| 171 | C | 79.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | S | Bend | trans | 59.4 | 31.3 | -174.8 | -47.7 | 0 | 0 | 0 | 0 | 113.2 | S146 C160 C162 E167 G168 | S146-C171 WeakPolarHBondContact CB-O 3.22Å; S146-C171 PolarHBondContact OG-O 3.25Å; C160-C171 WeakPolarHBondContact CB-SG 3.13Å; C162-C171 WeakPolarHBondContact CA-SG 3.39Å; C162-C171 HydrophobicContact CB-CB 3.66Å; C162-C171 WeakPolarHBondContact CB-SG 3.16Å; C162-C171 PolarHBondContact N-SG 2.86Å; C162-C171 WeakPolarHBondContact SG-CA 3.25Å; C162-C171 WeakPolarHBondContact SG-CB 3.28Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 2.04Å; E167-C171 WeakPolarHBondContact O-CA 3.29Å; G168-C171 PolarHBondContact O-N 3.2Å |
| 172 | D | 78.8 | Confident | 77.3 | Confident | 99 Ų | 99 | 68.4 Ų | 68.4 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | trans | -95.5 | -6.8 | -177.4 | 55.5 | -38.7 | 0 | 0 | 0 | 113.1 | L170 | L170-D172 HydrophobicContact CB-CB 4.36Å; L170-D172 PolarHBondContact O-N 3.48Å | ||
| 173 | V | 78.6 | Confident | 77.4 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 42% | 0.418 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.2 | 177.9 | -174 | 0 | 0 | 0 | 0 | 108.9 | Y166 E167 A175 | Y166-V173 CarbonylContact C-O 3.31Å; Y166-V173 VanDerWaalsContact CA-O 3.32Å; Y166-V173 WeakPolarHBondContact CA-O 3.26Å; E167-V173 HydrophobicContact CG-CB 4.24Å; E167-V173 HydrophobicContact CG-CG1 4.18Å; E167-V173 PolarHBondContact N-O 3.42Å; E167-V173 PolarHBondContact O-N 3.47Å; V173-A175 PolarHBondContact O-N 2.98Å |
| 174 | E | 71.3 | Confident | 77.5 | Confident | 96 Ų | 96 | 65.3 Ų | 65.3 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 123.3 | 167.7 | -171.2 | 174.3 | -178.9 | 0 | 0 | 108.2 | I193 | E174-I193 HydrophobicContact CG-CG1 4.4Å; E174-I193 WeakPolarHBondContact OE1-CG1 3.01Å; E174-I193 PolarHBondContact OE1-N 3.24Å |
| 175 | A | 76.1 | Confident | 77.7 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | trans | -74.5 | 132.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G165 E167 V173 E177 | G165-A175 PolarHBondContact O-N 3.25Å; E167-A175 HydrophobicContact CB-CB 3.98Å; E167-A175 HydrophobicContact CG-CB 3.91Å; V173-A175 PolarHBondContact O-N 2.98Å; A175-E177 PolarHBondContact O-N 3.3Å | ||
| 176 | N | 77.3 | Confident | 77.9 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 31% | 0.31 | 38% | 0.383 | S | S | . | . | trans | -89.2 | 95.5 | 177.6 | -179.5 | -79.5 | 0 | 0 | 0 | 110.4 | C178 N179 D191 | N176-C178 PolarHBondContact O-N 2.93Å; N176-C178 WeakPolarHBondContact OD1-CB 3.23Å; N176-C178 PolarHBondContact OD1-N 2.98Å; N176-N179 PolarHBondContact O-N 3.48Å; N176-N179 VanDerWaalsContact OD1-CG 3.24Å; N176-N179 PolarHBondContact OD1-N 2.97Å; N176-N179 PolarHBondContact OD1-ND2 2.79Å; N176-D191 VanDerWaalsContact CA-OD1 3.24Å; N176-D191 WeakPolarHBondContact CA-OD1 3.5Å; N176-D191 WeakPolarHBondContact CA-OD2 3.42Å; N176-D191 WeakPolarHBondContact CB-OD2 3.49Å; N176-D191 VanDerWaalsContact CG-OD1 3.27Å; N176-D191 VanDerWaalsContact CG-OD2 3.27Å; N176-D191 PolarHBondContact ND2-OD1 3.46Å; N176-D191 PolarHBondContact ND2-OD2 2.04Å | ||
| 177 | E | 82.1 | Confident | 77.7 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -60.7 | -25.4 | 178 | -78.3 | 81.1 | -170.6 | 0 | 0 | 112.9 | A175 N179 S180 D191 Y196 | A175-E177 PolarHBondContact O-N 3.3Å; E177-N179 VanDerWaalsContact C-N 3.28Å; E177-N179 PolarHBondContact O-N 2.82Å; E177-S180 PolarHBondContact O-N 3.3Å; E177-S180 PolarHBondContact O-OG 3.11Å; E177-D191 PolarHBondContact N-OD1 3.03Å; E177-D191 VanDerWaalsContact N-OD1 3.08Å; E177-Y196 HydrophobicContact CB-CD1 4.16Å |
| 178 | C | 79.9 | Confident | 78.1 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 14% | 0.142 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -65.3 | -24.6 | 179.6 | -73 | 0 | 0 | 0 | 0 | 114.6 | N176 S180 F181 C189 D191 | N176-C178 PolarHBondContact O-N 2.93Å; N176-C178 WeakPolarHBondContact OD1-CB 3.23Å; N176-C178 PolarHBondContact OD1-N 2.98Å; C178-S180 PolarHBondContact O-N 3.23Å; C178-S180 VanDerWaalsContact O-N 3.08Å; C178-F181 PolarHBondContact O-N 2.04Å; C178-C189 WeakPolarHBondContact CA-SG 3.02Å; C178-C189 HydrophobicContact CB-CB 3.71Å; C178-C189 WeakPolarHBondContact CB-SG 3.29Å; C178-C189 WeakPolarHBondContact SG-CB 3.36Å; C178-C189 CovalentContact SG-SG 2.04Å; C178-C189 PolarHBondContact SG-SG 3.26Å; C178-D191 PolarHBondContact N-OD1 2.92Å |
| 179 | N | 80.9 | Confident | 78.5 | Confident | 116 Ų | 116 | 64.3 Ų | 64.3 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -60.1 | -17 | 173.9 | -77.6 | -37.7 | 0 | 0 | 0 | 113.9 | N176 E177 F181 | N176-N179 PolarHBondContact O-N 3.48Å; N176-N179 VanDerWaalsContact OD1-CG 3.24Å; N176-N179 PolarHBondContact OD1-N 2.97Å; N176-N179 PolarHBondContact OD1-ND2 2.79Å; E177-N179 VanDerWaalsContact C-N 3.28Å; E177-N179 PolarHBondContact O-N 2.82Å; N179-F181 WeakPolarHBondContact O-CD2 3.39Å; N179-F181 WeakPolarHBondContact O-CE2 3.03Å; N179-F181 PolarHBondContact O-N 3.5Å |
| 180 | S | 76.7 | Confident | 78.8 | Confident | 85 Ų | 85 | 62 Ų | 62 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -79.4 | -2.1 | 174.7 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | E177 C178 P182 | E177-S180 PolarHBondContact O-N 3.3Å; E177-S180 PolarHBondContact O-OG 3.11Å; C178-S180 PolarHBondContact O-N 3.23Å; C178-S180 VanDerWaalsContact O-N 3.08Å; S180-P182 WeakPolarHBondContact OG-CD 3.4Å |
| 181 | F | 75.9 | Confident | 78.5 | Confident | 183 Ų | 183 | 61.8 Ų | 61.8 | 80% | 0.803 | 36% | 0.364 | S | S | * | . | trans | 50.2 | 53.3 | -171.7 | -54.8 | -83.9 | 0 | 0 | 0 | 113.6 | C178 N179 C183 | C178-F181 PolarHBondContact O-N 2.04Å; N179-F181 WeakPolarHBondContact O-CD2 3.39Å; N179-F181 WeakPolarHBondContact O-CE2 3.03Å; N179-F181 PolarHBondContact O-N 3.5Å; F181-C183 VanDerWaalsContact C-N 3.27Å; F181-C183 PolarHBondContact O-N 3.32Å | ||
| 182 | P | 79.9 | Confident | 78.1 | Confident | 21 Ų | 21 | 65 Ų | 65 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | trans | -76.1 | -13.3 | -172.7 | 32.9 | -35.6 | 0 | 0 | 0 | 113.8 | S180 Y196 T208 | S180-P182 WeakPolarHBondContact OG-CD 3.4Å; P182-Y196 HydrophobicContact CB-CD1 4.22Å; P182-Y196 HydrophobicContact CB-CD2 3.93Å; P182-Y196 HydrophobicContact CB-CE1 3.89Å; P182-Y196 HydrophobicContact CB-CE2 3.62Å; P182-Y196 HydrophobicContact CB-CG 4.23Å; P182-Y196 HydrophobicContact CG-CD1 4.06Å; P182-Y196 HydrophobicContact CG-CD2 3.68Å; P182-Y196 HydrophobicContact CG-CE1 4.26Å; P182-Y196 HydrophobicContact CG-CE2 3.94Å; P182-Y196 HydrophobicContact CG-CG 3.77Å; P182-T208 WeakPolarHBondContact O-CB 3.41Å; P182-T208 WeakPolarHBondContact O-CG2 3Å | ||
| 183 | C | 82.6 | Confident | 77.9 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | trans | -96 | 131.3 | -175.9 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | F181 A187 C189 C198 | F181-C183 VanDerWaalsContact C-N 3.27Å; F181-C183 PolarHBondContact O-N 3.32Å; C183-A187 HydrophobicContact CB-CB 3.94Å; C183-C189 HydrophobicContact CB-CB 4.4Å; C183-C189 WeakPolarHBondContact SG-CB 3.05Å; C183-C189 VanDerWaalsContact SG-SG 3.64Å; C183-C198 WeakPolarHBondContact CA-SG 3.45Å; C183-C198 HydrophobicContact CB-CB 3.74Å; C183-C198 WeakPolarHBondContact CB-SG 2.99Å; C183-C198 WeakPolarHBondContact SG-CA 3.46Å; C183-C198 WeakPolarHBondContact SG-CB 3.25Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 3.3Å | ||
| 184 | S | 81.8 | Confident | 77.3 | Confident | 48 Ų | 48 | 64 Ų | 64 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | trans | -98.4 | 171 | -177.1 | -61.9 | 0 | 0 | 0 | 0 | 113 | G186 A187 T208 | S184-G186 VanDerWaalsContact C-N 3.27Å; S184-G186 PolarHBondContact O-N 3.48Å; S184-G186 VanDerWaalsContact O-N 3.12Å; S184-A187 WeakPolarHBondContact O-CB 3.02Å; S184-A187 PolarHBondContact O-N 2.97Å; S184-T208 WeakPolarHBondContact CB-O 3.38Å; S184-T208 PolarHBondContact N-O 3.12Å | ||
| 185 | N | 75.4 | Confident | 77.1 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 29.3 | 169.1 | -57.9 | -42.6 | 0 | 0 | 0 | 116.1 | A187 F204 C209 | N185-A187 VanDerWaalsContact C-N 3.31Å; N185-F204 HydrophobicContact CB-CD1 4.28Å; N185-F204 HydrophobicContact CB-CD2 4.19Å; N185-F204 HydrophobicContact CB-CE1 4.09Å; N185-F204 HydrophobicContact CB-CE2 3.99Å; N185-F204 HydrophobicContact CB-CG 4.31Å; N185-F204 HydrophobicContact CB-CZ 3.93Å; N185-F204 WeakPolarHBondContact ND2-CD1 3.41Å; N185-F204 VanDerWaalsContact ND2-CE1 3.27Å; N185-F204 WeakPolarHBondContact ND2-CE1 3.38Å; N185-C209 PolarHBondContact ND2-O 3.46Å |
| 186 | G | 70.9 | Confident | 77.3 | Confident | 73 Ų | 73 | 63.7 Ų | 63.7 | 75% | 0.753 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 9.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S184 | S184-G186 VanDerWaalsContact C-N 3.27Å; S184-G186 PolarHBondContact O-N 3.48Å; S184-G186 VanDerWaalsContact O-N 3.12Å |
| 187 | A | 77.5 | Confident | 77.4 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 12% | 0.116 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 137.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C183 S184 N185 C198 H199 C209 | C183-A187 HydrophobicContact CB-CB 3.94Å; S184-A187 WeakPolarHBondContact O-CB 3.02Å; S184-A187 PolarHBondContact O-N 2.97Å; N185-A187 VanDerWaalsContact C-N 3.31Å; A187-C198 HydrophobicContact CB-CB 4.41Å; A187-H199 WeakPolarHBondContact CA-O 3.31Å; A187-H199 VanDerWaalsContact CB-O 3.29Å; A187-H199 WeakPolarHBondContact CB-O 3.16Å; A187-C209 HydrophobicContact CB-CB 3.67Å |
| 188 | T | 83.8 | Confident | 77.4 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 60% | 0.601 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 127 | 176.3 | -51.2 | 0 | 0 | 0 | 0 | 109.9 | H199 | T188-H199 PolarHBondContact N-O 2.88Å; T188-H199 PolarHBondContact O-N 3.08Å |
| 189 | C | 82.3 | Confident | 77.4 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 24% | 0.243 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.2 | 175.1 | -168.1 | 0 | 0 | 0 | 0 | 110.7 | C178 C183 | C178-C189 WeakPolarHBondContact CA-SG 3.02Å; C178-C189 HydrophobicContact CB-CB 3.71Å; C178-C189 WeakPolarHBondContact CB-SG 3.29Å; C178-C189 WeakPolarHBondContact SG-CB 3.36Å; C178-C189 CovalentContact SG-SG 2.04Å; C178-C189 PolarHBondContact SG-SG 3.26Å; C183-C189 HydrophobicContact CB-CB 4.4Å; C183-C189 WeakPolarHBondContact SG-CB 3.05Å; C183-C189 VanDerWaalsContact SG-SG 3.64Å |
| 190 | V | 81.9 | Confident | 77.3 | Confident | 63 Ų | 63 | 68.1 Ų | 68.1 | 38% | 0.382 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.3 | 170.9 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | R197 | V190-R197 HydrophobicContact CB-CB 4.47Å; V190-R197 PolarHBondContact N-O 3.16Å; V190-R197 PolarHBondContact O-N 2.81Å |
| 191 | D | 74.4 | Confident | 77.1 | Confident | 50 Ų | 50 | 66 Ų | 66 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141.2 | 179.2 | -134.3 | 34.1 | 0 | 0 | 0 | 111 | N176 E177 C178 | N176-D191 VanDerWaalsContact CA-OD1 3.24Å; N176-D191 WeakPolarHBondContact CA-OD1 3.5Å; N176-D191 WeakPolarHBondContact CA-OD2 3.42Å; N176-D191 WeakPolarHBondContact CB-OD2 3.49Å; N176-D191 VanDerWaalsContact CG-OD1 3.27Å; N176-D191 VanDerWaalsContact CG-OD2 3.27Å; N176-D191 PolarHBondContact ND2-OD1 3.46Å; N176-D191 PolarHBondContact ND2-OD2 2.04Å; E177-D191 PolarHBondContact N-OD1 3.03Å; E177-D191 VanDerWaalsContact N-OD1 3.08Å; C178-D191 PolarHBondContact N-OD1 2.92Å |
| 192 | L | 72.3 | Confident | 76.8 | Confident | 66 Ų | 66 | 62 Ų | 62 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 144 | 175.6 | -62.6 | 171.9 | 0 | 0 | 0 | 109 | S194 D195 R197 | L192-S194 PolarHBondContact O-N 3.44Å; L192-D195 CarbonylContact C-O 3.58Å; L192-D195 HydrophobicContact CB-CB 4.44Å; L192-D195 WeakPolarHBondContact CB-O 3.5Å; L192-D195 PolarHBondContact N-O 2.97Å; L192-D195 CarbonylContact O-C 3.52Å; L192-D195 PolarHBondContact O-N 2.69Å; L192-R197 HydrophobicContact CD1-CB 3.9Å |
| 193 | I | 74.6 | Confident | 76.1 | Confident | 98 Ų | 98 | 61.3 Ų | 61.3 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 110.3 | 174.3 | -54.4 | 167.5 | 0 | 0 | 0 | 111 | Y166 E174 D195 | Y166-I193 HydrophobicContact CE2-CG2 3.52Å; Y166-I193 WeakPolarHBondContact OH-CG2 3.46Å; E174-I193 HydrophobicContact CG-CG1 4.4Å; E174-I193 WeakPolarHBondContact OE1-CG1 3.01Å; E174-I193 PolarHBondContact OE1-N 3.24Å; I193-D195 VanDerWaalsContact C-N 3.3Å; I193-D195 PolarHBondContact O-N 2.9Å |
| 194 | S | 64.6 | Low | 75.9 | Confident | 51 Ų | 51 | 62 Ų | 62 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 9.2 | 178.3 | -172.5 | 0 | 0 | 0 | 0 | 116.8 | L164 G165 L192 | L164-S194 WeakPolarHBondContact CB-OG 3.46Å; L164-S194 WeakPolarHBondContact O-CB 3.47Å; G165-S194 VanDerWaalsContact CA-CA 3.4Å; G165-S194 VanDerWaalsContact CA-N 3.25Å; L192-S194 PolarHBondContact O-N 3.44Å |
| 195 | D | 68.4 | Low | 75.5 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 35% | 0.353 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 172.3 | -178.1 | -161.6 | 9.4 | 0 | 0 | 0 | 110.8 | L192 I193 R207 | L192-D195 CarbonylContact C-O 3.58Å; L192-D195 HydrophobicContact CB-CB 4.44Å; L192-D195 WeakPolarHBondContact CB-O 3.5Å; L192-D195 PolarHBondContact N-O 2.97Å; L192-D195 CarbonylContact O-C 3.52Å; L192-D195 PolarHBondContact O-N 2.69Å; I193-D195 VanDerWaalsContact C-N 3.3Å; I193-D195 PolarHBondContact O-N 2.9Å; D195-R207 IonicContact OD1-CZ 2.81Å; D195-R207 IonicContact OD1-NE 2.95Å; D195-R207 PolarHBondContact OD1-NE 2.98Å; D195-R207 IonicContact OD1-NH2 3.4Å; D195-R207 PolarHBondContact OD1-NH2 3.29Å |
| 196 | Y | 79.5 | Confident | 75.1 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 15% | 0.145 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 144.2 | 171.4 | 58.7 | -94.2 | 0 | 0 | 0 | 109.7 | E177 P182 R207 T208 | E177-Y196 HydrophobicContact CB-CD1 4.16Å; P182-Y196 HydrophobicContact CB-CD1 4.22Å; P182-Y196 HydrophobicContact CB-CD2 3.93Å; P182-Y196 HydrophobicContact CB-CE1 3.89Å; P182-Y196 HydrophobicContact CB-CE2 3.62Å; P182-Y196 HydrophobicContact CB-CG 4.23Å; P182-Y196 HydrophobicContact CG-CD1 4.06Å; P182-Y196 HydrophobicContact CG-CD2 3.68Å; P182-Y196 HydrophobicContact CG-CE1 4.26Å; P182-Y196 HydrophobicContact CG-CE2 3.94Å; P182-Y196 HydrophobicContact CG-CG 3.77Å; Y196-R207 HydrophobicContact CE2-CG 4.06Å; Y196-R207 PolarHBondContact OH-NH1 3.14Å; Y196-T208 HydrophobicContact CE2-CG2 4.23Å |
| 197 | R | 79.1 | Confident | 75.5 | Confident | 153 Ų | 153 | 64.4 Ų | 64.4 | 58% | 0.577 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 110.8 | 172.3 | -177.9 | 179 | -63.8 | -147.7 | 1.4 | 110.1 | V190 L192 H199 | V190-R197 HydrophobicContact CB-CB 4.47Å; V190-R197 PolarHBondContact N-O 3.16Å; V190-R197 PolarHBondContact O-N 2.81Å; L192-R197 HydrophobicContact CD1-CB 3.9Å; R197-H199 PolarHBondContact O-N 3Å |
| 198 | C | 83.3 | Confident | 75.6 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 10% | 0.101 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 123.2 | 165.6 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | C183 A187 C200 R207 C209 | C183-C198 WeakPolarHBondContact CA-SG 3.45Å; C183-C198 HydrophobicContact CB-CB 3.74Å; C183-C198 WeakPolarHBondContact CB-SG 2.99Å; C183-C198 WeakPolarHBondContact SG-CA 3.46Å; C183-C198 WeakPolarHBondContact SG-CB 3.25Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 3.3Å; A187-C198 HydrophobicContact CB-CB 4.41Å; C198-C200 PolarHBondContact O-N 3.25Å; C198-R207 PolarHBondContact SG-O 3.35Å; C198-C209 WeakPolarHBondContact CB-SG 3Å |
| 199 | H | 78.9 | Confident | 75.3 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 104.7 | 161.8 | -100.5 | 64.3 | 0 | 0 | 0 | 108.3 | A187 T188 R197 | A187-H199 WeakPolarHBondContact CA-O 3.31Å; A187-H199 VanDerWaalsContact CB-O 3.29Å; A187-H199 WeakPolarHBondContact CB-O 3.16Å; T188-H199 PolarHBondContact N-O 2.88Å; T188-H199 PolarHBondContact O-N 3.08Å; R197-H199 PolarHBondContact O-N 3Å |
| 200 | C | 78.8 | Confident | 75.1 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -72 | 136.8 | -179.6 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | C198 F204 C209 | C198-C200 PolarHBondContact O-N 3.25Å; C200-F204 HydrophobicContact CB-CB 4.27Å; C200-F204 WeakPolarHBondContact CB-O 3.45Å; C200-C209 WeakPolarHBondContact CA-SG 3.29Å; C200-C209 HydrophobicContact CB-CB 3.69Å; C200-C209 WeakPolarHBondContact CB-SG 3.22Å; C200-C209 PolarHBondContact N-SG 3.23Å; C200-C209 VanDerWaalsContact N-SG 3.39Å; C200-C209 VanDerWaalsContact SG-CA 3.53Å; C200-C209 WeakPolarHBondContact SG-CB 3.4Å; C200-C209 CovalentContact SG-SG 2.03Å; C200-C209 PolarHBondContact SG-SG 2.81Å |
| 201 | P | 73.8 | Confident | 74.9 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 26% | 0.26 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 157.5 | 164 | -18 | 32 | 0 | 0 | 0 | 110 | G203 F204 | P201-G203 PolarHBondContact O-N 3.05Å; P201-F204 HydrophobicContact CB-CD2 4.43Å; P201-F204 PolarHBondContact O-N 3.33Å |
| 202 | P | 69.4 | Low | 74.6 | Confident | 99 Ų | 99 | 64.4 Ų | 64.4 | 64% | 0.643 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 136 | 171.7 | -25.4 | 34.7 | 0 | 0 | 0 | 111.4 | N232 | P202-N232 WeakPolarHBondContact CA-OD1 3.42Å; P202-N232 HydrophobicContact CB-CB 4.47Å; P202-N232 WeakPolarHBondContact CB-OD1 3.47Å |
| 203 | G | 65 | Low | 74.7 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -7.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | P201 N212 V213 N232 | P201-G203 PolarHBondContact O-N 3.05Å; G203-N212 PolarHBondContact O-OD1 3Å; G203-V213 PolarHBondContact O-N 2.84Å; G203-N232 PolarHBondContact N-OD1 2.77Å |
| 204 | F | 78.9 | Confident | 74.6 | Confident | 37 Ų | 37 | 61 Ų | 61 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.7 | -179.5 | -64.3 | -79.2 | 0 | 0 | 0 | 113.5 | N185 C200 P201 C209 Q211 I231 | N185-F204 HydrophobicContact CB-CD1 4.28Å; N185-F204 HydrophobicContact CB-CD2 4.19Å; N185-F204 HydrophobicContact CB-CE1 4.09Å; N185-F204 HydrophobicContact CB-CE2 3.99Å; N185-F204 HydrophobicContact CB-CG 4.31Å; N185-F204 HydrophobicContact CB-CZ 3.93Å; N185-F204 WeakPolarHBondContact ND2-CD1 3.41Å; N185-F204 VanDerWaalsContact ND2-CE1 3.27Å; N185-F204 WeakPolarHBondContact ND2-CE1 3.38Å; C200-F204 HydrophobicContact CB-CB 4.27Å; C200-F204 WeakPolarHBondContact CB-O 3.45Å; P201-F204 HydrophobicContact CB-CD2 4.43Å; P201-F204 PolarHBondContact O-N 3.33Å; F204-C209 HydrophobicContact CB-CB 4.29Å; F204-Q211 CarbonylContact C-O 3.42Å; F204-Q211 WeakPolarHBondContact CA-O 3.37Å; F204-I231 HydrophobicContact CD2-CG2 4.36Å; F204-I231 HydrophobicContact CE1-CG2 4.27Å; F204-I231 HydrophobicContact CE2-CG2 3.5Å; F204-I231 HydrophobicContact CZ-CD1 4.13Å; F204-I231 HydrophobicContact CZ-CG1 4.26Å; F204-I231 HydrophobicContact CZ-CG2 3.46Å; F204-I231 VanDerWaalsContact CZ-CG2 3.46Å |
| 205 | E | 72.1 | Confident | 75.2 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 178 | 178.7 | 65.5 | 168.7 | -164.5 | 0 | 0 | 114.2 | C209 Q211 V213 | E205-C209 WeakPolarHBondContact O-CA 3.34Å; E205-Q211 HydrophobicContact CG-CB 4.25Å; E205-Q211 PolarHBondContact N-O 3.33Å; E205-Q211 PolarHBondContact O-N 3.04Å; E205-V213 HydrophobicContact CB-CG2 3.71Å; E205-V213 HydrophobicContact CG-CG2 3.79Å |
| 206 | G | 68.4 | Low | 75.5 | Confident | 35 Ų | 35 | 58 Ų | 58 | 36% | 0.361 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 83 | 163.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T208 C209 | G206-T208 PolarHBondContact O-N 3.49Å; G206-C209 PolarHBondContact O-N 2.79Å |
| 207 | R | 78.1 | Confident | 75.4 | Confident | 147 Ų | 147 | 65.7 Ų | 65.7 | 56% | 0.555 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -28.7 | -173.5 | -176.3 | 174.7 | 177.9 | -129.6 | 9.5 | 114.6 | D195 Y196 C198 | D195-R207 IonicContact OD1-CZ 2.81Å; D195-R207 IonicContact OD1-NE 2.95Å; D195-R207 PolarHBondContact OD1-NE 2.98Å; D195-R207 IonicContact OD1-NH2 3.4Å; D195-R207 PolarHBondContact OD1-NH2 3.29Å; Y196-R207 HydrophobicContact CE2-CG 4.06Å; Y196-R207 PolarHBondContact OH-NH1 3.14Å; C198-R207 PolarHBondContact SG-O 3.35Å |
| 208 | T | 80.5 | Confident | 75.2 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 4.9 | -176.6 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | P182 S184 Y196 G206 S210 | P182-T208 WeakPolarHBondContact O-CB 3.41Å; P182-T208 WeakPolarHBondContact O-CG2 3Å; S184-T208 WeakPolarHBondContact CB-O 3.38Å; S184-T208 PolarHBondContact N-O 3.12Å; Y196-T208 HydrophobicContact CE2-CG2 4.23Å; G206-T208 PolarHBondContact O-N 3.49Å; T208-S210 PolarHBondContact O-N 2.83Å; T208-S210 PolarHBondContact OG1-OG 2.03Å |
| 209 | C | 77.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 53.2 | 32.2 | -175.8 | -48.8 | 0 | 0 | 0 | 0 | 114.2 | N185 A187 C198 C200 F204 E205 G206 | N185-C209 PolarHBondContact ND2-O 3.46Å; A187-C209 HydrophobicContact CB-CB 3.67Å; C198-C209 WeakPolarHBondContact CB-SG 3Å; C200-C209 WeakPolarHBondContact CA-SG 3.29Å; C200-C209 HydrophobicContact CB-CB 3.69Å; C200-C209 WeakPolarHBondContact CB-SG 3.22Å; C200-C209 PolarHBondContact N-SG 3.23Å; C200-C209 VanDerWaalsContact N-SG 3.39Å; C200-C209 VanDerWaalsContact SG-CA 3.53Å; C200-C209 WeakPolarHBondContact SG-CB 3.4Å; C200-C209 CovalentContact SG-SG 2.03Å; C200-C209 PolarHBondContact SG-SG 2.81Å; F204-C209 HydrophobicContact CB-CB 4.29Å; E205-C209 WeakPolarHBondContact O-CA 3.34Å; G206-C209 PolarHBondContact O-N 2.79Å |
| 210 | S | 78.2 | Confident | 74.7 | Confident | 62 Ų | 62 | 64.9 Ų | 64.9 | 43% | 0.434 | 35% | 0.346 | S | S | . | . | trans | -102 | -3.7 | -175.5 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | T208 | T208-S210 PolarHBondContact O-N 2.83Å; T208-S210 PolarHBondContact OG1-OG 2.03Å | ||
| 211 | Q | 76 | Confident | 74.9 | Confident | 113 Ų | 113 | 63.6 Ų | 63.6 | 53% | 0.528 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137 | 176.5 | -64.9 | 176.2 | 79.4 | 0 | 0 | 108.5 | F204 E205 | F204-Q211 CarbonylContact C-O 3.42Å; F204-Q211 WeakPolarHBondContact CA-O 3.37Å; E205-Q211 HydrophobicContact CG-CB 4.25Å; E205-Q211 PolarHBondContact N-O 3.33Å; E205-Q211 PolarHBondContact O-N 3.04Å |
| 212 | N | 69.1 | Low | 75.1 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135.7 | 169.1 | -163.3 | 54.2 | 0 | 0 | 0 | 108.6 | G203 N214 D229 L230 I231 | G203-N212 PolarHBondContact O-OD1 3Å; N212-N214 PolarHBondContact O-N 2.96Å; N212-D229 PolarHBondContact ND2-OD2 3.28Å; N212-L230 PolarHBondContact ND2-O 3.4Å; N212-I231 WeakPolarHBondContact OD1-CA 3.43Å; N212-I231 WeakPolarHBondContact OD1-CG1 3.34Å |
| 213 | V | 75 | Confident | 75.3 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 26% | 0.261 | 34% | 0.339 | S | S | . | . | trans | -65.2 | 129.2 | 165.8 | 172.9 | 0 | 0 | 0 | 0 | 107 | G203 E205 D215 | G203-V213 PolarHBondContact O-N 2.84Å; E205-V213 HydrophobicContact CB-CG2 3.71Å; E205-V213 HydrophobicContact CG-CG2 3.79Å; V213-D215 PolarHBondContact O-N 2.88Å | ||
| 214 | N | 71.4 | Confident | 75.7 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | trans | -79.4 | 90.4 | 176.6 | -166.3 | -94 | 0 | 0 | 0 | 110.1 | N212 C216 W217 D229 | N212-N214 PolarHBondContact O-N 2.96Å; N214-C216 PolarHBondContact O-N 3.11Å; N214-C216 VanDerWaalsContact O-N 3.12Å; N214-C216 WeakPolarHBondContact OD1-CB 3.46Å; N214-W217 HydrophobicContact CB-CD2 3.87Å; N214-W217 HydrophobicContact CB-CE3 3.95Å; N214-W217 HydrophobicContact CB-CG 4.21Å; N214-W217 HydrophobicContact CB-CZ3 4.37Å; N214-W217 WeakPolarHBondContact O-CB 3.44Å; N214-W217 PolarHBondContact O-N 2.95Å; N214-W217 PolarHBondContact OD1-N 3.43Å; N214-D229 VanDerWaalsContact CA-OD1 3.23Å; N214-D229 WeakPolarHBondContact CA-OD1 3.02Å; N214-D229 PolarHBondContact ND2-OD1 3.4Å; N214-D229 PolarHBondContact ND2-OD2 2.03Å; N214-D229 VanDerWaalsContact ND2-OD2 3.13Å | ||
| 215 | D | 77 | Confident | 75.7 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 19% | 0.187 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -60.6 | -26.9 | -174.8 | -74.1 | -52 | 0 | 0 | 0 | 111.6 | V213 W217 S218 D229 N232 D233 Y234 | V213-D215 PolarHBondContact O-N 2.88Å; D215-W217 VanDerWaalsContact C-N 3.33Å; D215-W217 PolarHBondContact O-N 3.15Å; D215-S218 PolarHBondContact O-N 3.23Å; D215-S218 PolarHBondContact O-OG 2.95Å; D215-D229 PolarHBondContact N-OD1 3.2Å; D215-N232 VanDerWaalsContact OD2-CA 3.28Å; D215-N232 WeakPolarHBondContact OD2-CA 3.31Å; D215-N232 PolarHBondContact OD2-N 3.21Å; D215-D233 PolarHBondContact OD2-N 3Å; D215-Y234 HydrophobicContact CB-CD1 4.11Å |
| 216 | C | 76.2 | Confident | 76.3 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 14% | 0.135 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -68.4 | -15.9 | 173.9 | -70.2 | 0 | 0 | 0 | 0 | 116 | N214 S218 Q219 C227 V228 | N214-C216 PolarHBondContact O-N 3.11Å; N214-C216 VanDerWaalsContact O-N 3.12Å; N214-C216 WeakPolarHBondContact OD1-CB 3.46Å; C216-S218 PolarHBondContact O-N 3.22Å; C216-Q219 PolarHBondContact O-N 2.66Å; C216-C227 WeakPolarHBondContact CA-SG 3.35Å; C216-C227 HydrophobicContact CB-CB 3.68Å; C216-C227 WeakPolarHBondContact CB-SG 3.41Å; C216-C227 WeakPolarHBondContact SG-CB 3.48Å; C216-C227 CovalentContact SG-SG 2.03Å; C216-C227 PolarHBondContact SG-SG 2.03Å; C216-V228 PolarHBondContact SG-N 2.88Å |
| 217 | W | 77.3 | Confident | 77 | Confident | 198 Ų | 198 | 67.5 Ų | 67.5 | 75% | 0.75 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -64.8 | -21.7 | 176.2 | -86.6 | -19.9 | 0 | 0 | 0 | 113.5 | N214 D215 Q219 | N214-W217 HydrophobicContact CB-CD2 3.87Å; N214-W217 HydrophobicContact CB-CE3 3.95Å; N214-W217 HydrophobicContact CB-CG 4.21Å; N214-W217 HydrophobicContact CB-CZ3 4.37Å; N214-W217 WeakPolarHBondContact O-CB 3.44Å; N214-W217 PolarHBondContact O-N 2.95Å; N214-W217 PolarHBondContact OD1-N 3.43Å; D215-W217 VanDerWaalsContact C-N 3.33Å; D215-W217 PolarHBondContact O-N 3.15Å; W217-Q219 PolarHBondContact O-N 2.73Å |
| 218 | S | 74.2 | Confident | 77.1 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -67.1 | -9.9 | 172.1 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | D215 C216 P220 | D215-S218 PolarHBondContact O-N 3.23Å; D215-S218 PolarHBondContact O-OG 2.95Å; C216-S218 PolarHBondContact O-N 3.22Å; S218-P220 WeakPolarHBondContact OG-CD 3.5Å |
| 219 | Q | 72.6 | Confident | 76.7 | Confident | 164 Ų | 164 | 64.2 Ų | 64.2 | 77% | 0.766 | 37% | 0.366 | S | S | * | . | trans | 52.2 | 55 | -171.9 | -59.1 | 179 | 29 | 0 | 0 | 112.9 | C216 W217 C221 | C216-Q219 PolarHBondContact O-N 2.66Å; W217-Q219 PolarHBondContact O-N 2.73Å; Q219-C221 PolarHBondContact O-N 3.19Å | ||
| 220 | P | 78.9 | Confident | 76.3 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 10% | 0.104 | 38% | 0.383 | C | S | . | . | trans | -76.1 | -25.3 | -170.6 | 31.9 | -33.6 | 0 | 0 | 0 | 113.1 | S218 L222 Y234 | S218-P220 WeakPolarHBondContact OG-CD 3.5Å; P220-L222 PolarHBondContact O-N 2.82Å; P220-Y234 HydrophobicContact CB-CD2 4.04Å; P220-Y234 HydrophobicContact CB-CE1 4.08Å; P220-Y234 HydrophobicContact CB-CE2 3.38Å; P220-Y234 HydrophobicContact CG-CD1 4.16Å; P220-Y234 HydrophobicContact CG-CD2 3.43Å; P220-Y234 VanDerWaalsContact CG-CD2 3.43Å; P220-Y234 HydrophobicContact CG-CE1 4.08Å; P220-Y234 HydrophobicContact CG-CE2 3.34Å; P220-Y234 HydrophobicContact CG-CG 3.86Å | ||
| 221 | C | 82.6 | Confident | 75.9 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 13% | 0.128 | 39% | 0.388 | C | S | . | . | trans | -77.7 | 118 | -179.3 | -49.9 | 0 | 0 | 0 | 0 | 112 | Q219 C227 C236 | Q219-C221 PolarHBondContact O-N 3.19Å; C221-C227 HydrophobicContact CB-CB 4.47Å; C221-C227 VanDerWaalsContact SG-CA 3.53Å; C221-C227 WeakPolarHBondContact SG-CB 3.49Å; C221-C227 VanDerWaalsContact SG-SG 3.7Å; C221-C236 WeakPolarHBondContact CA-SG 3Å; C221-C236 HydrophobicContact CB-CB 3.74Å; C221-C236 WeakPolarHBondContact CB-SG 3.38Å; C221-C236 WeakPolarHBondContact SG-CA 3.37Å; C221-C236 WeakPolarHBondContact SG-CB 3.37Å; C221-C236 CovalentContact SG-SG 2.03Å; C221-C236 PolarHBondContact SG-SG 3.36Å | ||
| 222 | L | 79.2 | Confident | 75.3 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | trans | -88.2 | 175.1 | -179 | -55.7 | -177.9 | 0 | 0 | 0 | 111.7 | P220 G224 G225 N246 E248 | P220-L222 PolarHBondContact O-N 2.82Å; L222-G224 PolarHBondContact O-N 2.86Å; L222-G225 PolarHBondContact O-N 3.13Å; L222-N246 WeakPolarHBondContact CB-O 3.47Å; L222-N246 PolarHBondContact N-O 2.88Å; L222-E248 HydrophobicContact CD1-CB 4.05Å | ||
| 223 | N | 73.4 | Confident | 75.2 | Confident | 90 Ų | 90 | 69.6 Ų | 69.6 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 22.6 | 174.5 | -62.1 | -44.2 | 0 | 0 | 0 | 116.1 | F242 C247 | N223-F242 HydrophobicContact CB-CD1 3.97Å; N223-F242 HydrophobicContact CB-CD2 4.3Å; N223-F242 HydrophobicContact CB-CE1 3.94Å; N223-F242 HydrophobicContact CB-CE2 4.25Å; N223-F242 HydrophobicContact CB-CG 4.15Å; N223-F242 HydrophobicContact CB-CZ 4.08Å; N223-C247 PolarHBondContact ND2-O 2.73Å |
| 224 | G | 73.1 | Confident | 75.4 | Confident | 65 Ų | 65 | 69.7 Ų | 69.7 | 67% | 0.67 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 15.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L222 | L222-G224 PolarHBondContact O-N 2.86Š|
| 225 | G | 79.4 | Confident | 75.7 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 14% | 0.144 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 146.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L222 H237 | L222-G225 PolarHBondContact O-N 3.13Å; G225-H237 CarbonylContact C-O 3.55Å; G225-H237 VanDerWaalsContact CA-O 3.29Å; G225-H237 WeakPolarHBondContact CA-O 3.05Å |
| 226 | S | 83.3 | Confident | 76 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 120.3 | -179.8 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | H237 | S226-H237 PolarHBondContact N-O 3.36Å; S226-H237 PolarHBondContact O-N 3.38Å |
| 227 | C | 83.1 | Confident | 76.2 | Confident | 42 Ų | 42 | 74.6 Ų | 74.6 | 28% | 0.284 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 137.3 | -178.4 | -165.5 | 0 | 0 | 0 | 0 | 112 | C216 C221 | C216-C227 WeakPolarHBondContact CA-SG 3.35Å; C216-C227 HydrophobicContact CB-CB 3.68Å; C216-C227 WeakPolarHBondContact CB-SG 3.41Å; C216-C227 WeakPolarHBondContact SG-CB 3.48Å; C216-C227 CovalentContact SG-SG 2.03Å; C216-C227 PolarHBondContact SG-SG 2.03Å; C221-C227 HydrophobicContact CB-CB 4.47Å; C221-C227 VanDerWaalsContact SG-CA 3.53Å; C221-C227 WeakPolarHBondContact SG-CB 3.49Å; C221-C227 VanDerWaalsContact SG-SG 3.7Å |
| 228 | V | 80.7 | Confident | 76.4 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 38% | 0.382 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.4 | 171.9 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | C216 Y234 I235 | C216-V228 PolarHBondContact SG-N 2.88Å; V228-Y234 WeakPolarHBondContact O-CA 3.25Å; V228-I235 PolarHBondContact N-O 3.42Å; V228-I235 PolarHBondContact O-N 3.13Å |
| 229 | D | 71.7 | Confident | 76.4 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 132 | -177 | -163.4 | 46.4 | 0 | 0 | 0 | 111.7 | N212 N214 D215 | N212-D229 PolarHBondContact ND2-OD2 3.28Å; N214-D229 VanDerWaalsContact CA-OD1 3.23Å; N214-D229 WeakPolarHBondContact CA-OD1 3.02Å; N214-D229 PolarHBondContact ND2-OD1 3.4Å; N214-D229 PolarHBondContact ND2-OD2 2.03Å; N214-D229 VanDerWaalsContact ND2-OD2 3.13Å; D215-D229 PolarHBondContact N-OD1 3.2Å |
| 230 | L | 70.3 | Confident | 76.5 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | trans | -127.7 | -174.3 | 170.2 | -60.2 | 174.9 | 0 | 0 | 0 | 109.4 | N212 D233 I235 | N212-L230 PolarHBondContact ND2-O 3.4Å; L230-D233 CarbonylContact C-O 3.5Å; L230-D233 WeakPolarHBondContact CA-O 3.41Å; L230-D233 HydrophobicContact CB-CB 4.21Å; L230-D233 WeakPolarHBondContact CB-O 3.47Å; L230-D233 PolarHBondContact N-O 2.04Å; L230-I235 HydrophobicContact CD1-CD1 3.72Å; L230-I235 HydrophobicContact CD1-CG1 3.73Å | ||
| 231 | I | 70.1 | Confident | 75.8 | Confident | 107 Ų | 107 | 65.2 Ų | 65.2 | 55% | 0.549 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -89.2 | 109.5 | -179.7 | -62.5 | 163.8 | 0 | 0 | 0 | 108.9 | F204 N212 D233 | F204-I231 HydrophobicContact CD2-CG2 4.36Å; F204-I231 HydrophobicContact CE1-CG2 4.27Å; F204-I231 HydrophobicContact CE2-CG2 3.5Å; F204-I231 HydrophobicContact CZ-CD1 4.13Å; F204-I231 HydrophobicContact CZ-CG1 4.26Å; F204-I231 HydrophobicContact CZ-CG2 3.46Å; F204-I231 VanDerWaalsContact CZ-CG2 3.46Å; N212-I231 WeakPolarHBondContact OD1-CA 3.43Å; N212-I231 WeakPolarHBondContact OD1-CG1 3.34Å; I231-D233 PolarHBondContact O-N 3.47Å |
| 232 | N | 63.5 | Low | 75.2 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 60.9 | 27.7 | -176.9 | -161.9 | 75.5 | 0 | 0 | 0 | 113.4 | P202 G203 D215 | P202-N232 WeakPolarHBondContact CA-OD1 3.42Å; P202-N232 HydrophobicContact CB-CB 4.47Å; P202-N232 WeakPolarHBondContact CB-OD1 3.47Å; G203-N232 PolarHBondContact N-OD1 2.77Å; D215-N232 VanDerWaalsContact OD2-CA 3.28Å; D215-N232 WeakPolarHBondContact OD2-CA 3.31Å; D215-N232 PolarHBondContact OD2-N 3.21Å |
| 233 | D | 66.2 | Low | 74.7 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | trans | -165 | 166.4 | -173.6 | -161.7 | 9.4 | 0 | 0 | 0 | 110 | D215 L230 I231 | D215-D233 PolarHBondContact OD2-N 3Å; L230-D233 CarbonylContact C-O 3.5Å; L230-D233 WeakPolarHBondContact CA-O 3.41Å; L230-D233 HydrophobicContact CB-CB 4.21Å; L230-D233 WeakPolarHBondContact CB-O 3.47Å; L230-D233 PolarHBondContact N-O 2.04Å; I231-D233 PolarHBondContact O-N 3.47Å | ||
| 234 | Y | 79.4 | Confident | 74.6 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 151.7 | 176.7 | 59.4 | -88 | 0 | 0 | 0 | 111.3 | D215 P220 V228 F245 N246 | D215-Y234 HydrophobicContact CB-CD1 4.11Å; P220-Y234 HydrophobicContact CB-CD2 4.04Å; P220-Y234 HydrophobicContact CB-CE1 4.08Å; P220-Y234 HydrophobicContact CB-CE2 3.38Å; P220-Y234 HydrophobicContact CG-CD1 4.16Å; P220-Y234 HydrophobicContact CG-CD2 3.43Å; P220-Y234 VanDerWaalsContact CG-CD2 3.43Å; P220-Y234 HydrophobicContact CG-CE1 4.08Å; P220-Y234 HydrophobicContact CG-CE2 3.34Å; P220-Y234 HydrophobicContact CG-CG 3.86Å; V228-Y234 WeakPolarHBondContact O-CA 3.25Å; Y234-F245 HydrophobicContact CE1-CE1 4.36Å; Y234-F245 HydrophobicContact CE2-CD1 4.37Å; Y234-F245 AromaticContact CE2-CE1 3.83Å; Y234-F245 HydrophobicContact CE2-CE1 3.83Å; Y234-F245 AromaticContact CZ-CE1 3.71Å; Y234-N246 VanDerWaalsContact CE2-OD1 3.23Å; Y234-N246 WeakPolarHBondContact CE2-OD1 3.4Å; Y234-N246 PolarHBondContact OH-OD1 3.37Å; Y234-N246 VanDerWaalsContact OH-OD1 3.09Å |
| 235 | I | 78.5 | Confident | 74.7 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.3 | 174.1 | -73.9 | 176.8 | 0 | 0 | 0 | 110.1 | V228 L230 | V228-I235 PolarHBondContact N-O 3.42Å; V228-I235 PolarHBondContact O-N 3.13Å; L230-I235 HydrophobicContact CD1-CD1 3.72Å; L230-I235 HydrophobicContact CD1-CG1 3.73Å |
| 236 | C | 82.9 | Confident | 74.8 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 10% | 0.095 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.3 | 171.2 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | C221 C238 F245 C247 | C221-C236 WeakPolarHBondContact CA-SG 3Å; C221-C236 HydrophobicContact CB-CB 3.74Å; C221-C236 WeakPolarHBondContact CB-SG 3.38Å; C221-C236 WeakPolarHBondContact SG-CA 3.37Å; C221-C236 WeakPolarHBondContact SG-CB 3.37Å; C221-C236 CovalentContact SG-SG 2.03Å; C221-C236 PolarHBondContact SG-SG 3.36Å; C236-C238 PolarHBondContact O-N 3.19Å; C236-F245 WeakPolarHBondContact CB-O 3.4Å; C236-C247 VanDerWaalsContact CB-SG 3.6Å |
| 237 | H | 80.7 | Confident | 74.5 | Confident | 114 Ų | 114 | 59.8 Ų | 59.8 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 105.2 | 167.9 | -69.8 | -45.9 | 0 | 0 | 0 | 110.1 | G225 S226 | G225-H237 CarbonylContact C-O 3.55Å; G225-H237 VanDerWaalsContact CA-O 3.29Å; G225-H237 WeakPolarHBondContact CA-O 3.05Å; S226-H237 PolarHBondContact N-O 3.36Å; S226-H237 PolarHBondContact O-N 3.38Å |
| 238 | C | 80.3 | Confident | 74.1 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 143 | -174.8 | -53.4 | 0 | 0 | 0 | 0 | 113.3 | C236 F242 C247 | C236-C238 PolarHBondContact O-N 3.19Å; C238-F242 HydrophobicContact CB-CB 4.32Å; C238-F242 VanDerWaalsContact CB-O 3.28Å; C238-F242 WeakPolarHBondContact CB-O 3.41Å; C238-C247 WeakPolarHBondContact CA-SG 2.99Å; C238-C247 HydrophobicContact CB-CB 3.71Å; C238-C247 WeakPolarHBondContact CB-SG 3.5Å; C238-C247 WeakPolarHBondContact SG-CA 3.39Å; C238-C247 WeakPolarHBondContact SG-CB 3.43Å; C238-C247 CovalentContact SG-SG 2.04Å; C238-C247 PolarHBondContact SG-SG 2.03Å |
| 239 | P | 75.1 | Confident | 73.7 | Confident | 48 Ų | 48 | 63 Ų | 63 | 31% | 0.312 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 156.3 | 168.6 | -16.3 | 32.1 | 0 | 0 | 0 | 111.1 | G241 F242 | P239-G241 PolarHBondContact O-N 3.49Å; P239-F242 HydrophobicContact CB-CD2 4.4Å; P239-F242 PolarHBondContact O-N 2.81Å |
| 240 | L | 73.2 | Confident | 73.4 | Confident | 164 Ų | 164 | 62.8 Ų | 62.8 | 86% | 0.859 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 132.7 | 176.3 | -64.2 | 170.7 | 0 | 0 | 0 | 111.1 | ||
| 241 | G | 64.6 | Low | 73 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 13% | 0.134 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -14.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P239 N250 H251 | P239-G241 PolarHBondContact O-N 3.49Å; G241-N250 PolarHBondContact O-OD1 2.03Å; G241-H251 PolarHBondContact O-N 3.23Å |
| 242 | F | 71 | Confident | 72.7 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 18% | 0.175 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143.4 | 178 | -63 | -81.9 | 0 | 0 | 0 | 112.6 | N223 C238 P239 C247 I249 N250 V269 | N223-F242 HydrophobicContact CB-CD1 3.97Å; N223-F242 HydrophobicContact CB-CD2 4.3Å; N223-F242 HydrophobicContact CB-CE1 3.94Å; N223-F242 HydrophobicContact CB-CE2 4.25Å; N223-F242 HydrophobicContact CB-CG 4.15Å; N223-F242 HydrophobicContact CB-CZ 4.08Å; C238-F242 HydrophobicContact CB-CB 4.32Å; C238-F242 VanDerWaalsContact CB-O 3.28Å; C238-F242 WeakPolarHBondContact CB-O 3.41Å; P239-F242 HydrophobicContact CB-CD2 4.4Å; P239-F242 PolarHBondContact O-N 2.81Å; F242-C247 HydrophobicContact CB-CB 4.43Å; F242-I249 CarbonylContact C-O 3.49Å; F242-I249 VanDerWaalsContact CA-O 3.29Å; F242-I249 WeakPolarHBondContact CA-O 3Å; F242-N250 HydrophobicContact CE1-CB 4.38Å; F242-V269 HydrophobicContact CD2-CG1 4.42Å; F242-V269 HydrophobicContact CE2-CG1 3.41Å; F242-V269 VanDerWaalsContact CE2-CG1 3.41Å; F242-V269 HydrophobicContact CZ-CB 4.46Å; F242-V269 HydrophobicContact CZ-CG1 3.46Å; F242-V269 VanDerWaalsContact CZ-CG1 3.46Å; F242-V269 HydrophobicContact CZ-CG2 4.11Å |
| 243 | G | 68.8 | Low | 72.9 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | -166.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | C247 E248 I249 | G243-C247 CarbonylContact O-C 3.24Å; G243-C247 VanDerWaalsContact O-C 3.28Å; G243-C247 VanDerWaalsContact O-CA 3.25Å; G243-C247 WeakPolarHBondContact O-CA 3.04Å; G243-E248 PolarHBondContact O-N 2.88Å; G243-I249 PolarHBondContact N-O 3.14Å; G243-I249 WeakPolarHBondContact O-CB 3.43Å; G243-I249 PolarHBondContact O-N 3.06Å |
| 244 | G | 70.2 | Confident | 73 | Confident | 35 Ų | 35 | 58.9 Ų | 58.9 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 87.4 | 167.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N246 C247 E248 | G244-N246 VanDerWaalsContact C-N 3.26Å; G244-N246 PolarHBondContact O-N 2.84Å; G244-C247 PolarHBondContact O-N 3.42Å; G244-E248 WeakPolarHBondContact CA-OE1 3.43Å |
| 245 | F | 76.6 | Confident | 72.2 | Confident | 117 Ų | 117 | 62 Ų | 62 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.9 | -173.1 | -175 | -103.9 | 0 | 0 | 0 | 111.9 | Y234 C236 E248 | Y234-F245 HydrophobicContact CE1-CE1 4.36Å; Y234-F245 HydrophobicContact CE2-CD1 4.37Å; Y234-F245 AromaticContact CE2-CE1 3.83Å; Y234-F245 HydrophobicContact CE2-CE1 3.83Å; Y234-F245 AromaticContact CZ-CE1 3.71Å; C236-F245 WeakPolarHBondContact CB-O 3.4Å; F245-E248 PolarHBondContact N-OE1 3.32Å; F245-E248 PolarHBondContact N-OE2 3.31Å |
| 246 | N | 79.9 | Confident | 71.3 | Confident | 41 Ų | 41 | 65.1 Ų | 65.1 | 22% | 0.219 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 15.7 | -178 | -67.3 | -18.1 | 0 | 0 | 0 | 112.7 | L222 Y234 G244 E248 | L222-N246 WeakPolarHBondContact CB-O 3.47Å; L222-N246 PolarHBondContact N-O 2.88Å; Y234-N246 VanDerWaalsContact CE2-OD1 3.23Å; Y234-N246 WeakPolarHBondContact CE2-OD1 3.4Å; Y234-N246 PolarHBondContact OH-OD1 3.37Å; Y234-N246 VanDerWaalsContact OH-OD1 3.09Å; G244-N246 VanDerWaalsContact C-N 3.26Å; G244-N246 PolarHBondContact O-N 2.84Å; N246-E248 VanDerWaalsContact CA-OE2 3.22Å; N246-E248 WeakPolarHBondContact CA-OE2 3.47Å; N246-E248 WeakPolarHBondContact CB-OE2 3.36Å; N246-E248 PolarHBondContact N-OE2 2.86Å; N246-E248 PolarHBondContact O-N 2.99Å |
| 247 | C | 78.3 | Confident | 70.1 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 60.5 | 27.6 | -173.3 | -45.8 | 0 | 0 | 0 | 0 | 114.1 | N223 C236 C238 F242 G243 G244 | N223-C247 PolarHBondContact ND2-O 2.73Å; C236-C247 VanDerWaalsContact CB-SG 3.6Å; C238-C247 WeakPolarHBondContact CA-SG 2.99Å; C238-C247 HydrophobicContact CB-CB 3.71Å; C238-C247 WeakPolarHBondContact CB-SG 3.5Å; C238-C247 WeakPolarHBondContact SG-CA 3.39Å; C238-C247 WeakPolarHBondContact SG-CB 3.43Å; C238-C247 CovalentContact SG-SG 2.04Å; C238-C247 PolarHBondContact SG-SG 2.03Å; F242-C247 HydrophobicContact CB-CB 4.43Å; G243-C247 CarbonylContact O-C 3.24Å; G243-C247 VanDerWaalsContact O-C 3.28Å; G243-C247 VanDerWaalsContact O-CA 3.25Å; G243-C247 WeakPolarHBondContact O-CA 3.04Å; G244-C247 PolarHBondContact O-N 3.42Å |
| 248 | E | 74.9 | Confident | 69.5 | Low | 87 Ų | 87 | 67 Ų | 67 | 41% | 0.407 | 37% | 0.367 | S | S | . | . | trans | -80.8 | -20.9 | -176.4 | 74.5 | -74.1 | -179.1 | 0 | 0 | 114 | L222 G243 G244 F245 N246 | L222-E248 HydrophobicContact CD1-CB 4.05Å; G243-E248 PolarHBondContact O-N 2.88Å; G244-E248 WeakPolarHBondContact CA-OE1 3.43Å; F245-E248 PolarHBondContact N-OE1 3.32Å; F245-E248 PolarHBondContact N-OE2 3.31Å; N246-E248 VanDerWaalsContact CA-OE2 3.22Å; N246-E248 WeakPolarHBondContact CA-OE2 3.47Å; N246-E248 WeakPolarHBondContact CB-OE2 3.36Å; N246-E248 PolarHBondContact N-OE2 2.86Å; N246-E248 PolarHBondContact O-N 2.99Å | ||
| 249 | I | 71.9 | Confident | 69 | Low | 87 Ų | 87 | 65.9 Ų | 65.9 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 120.9 | -175.5 | -52.7 | 178.8 | 0 | 0 | 0 | 108.9 | F242 G243 | F242-I249 CarbonylContact C-O 3.49Å; F242-I249 VanDerWaalsContact CA-O 3.29Å; F242-I249 WeakPolarHBondContact CA-O 3Å; G243-I249 PolarHBondContact N-O 3.14Å; G243-I249 WeakPolarHBondContact O-CB 3.43Å; G243-I249 PolarHBondContact O-N 3.06Å |
| 250 | N | 64.4 | Low | 68.7 | Low | 46 Ų | 46 | 65.2 Ų | 65.2 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 128.8 | 160.6 | -163.7 | 62.1 | 0 | 0 | 0 | 107.8 | G241 F242 D252 D267 | G241-N250 PolarHBondContact O-OD1 2.03Å; F242-N250 HydrophobicContact CE1-CB 4.38Å; N250-D252 PolarHBondContact O-N 3.02Å; N250-D267 PolarHBondContact ND2-OD2 2.92Å |
| 251 | H | 63.3 | Low | 68.3 | Low | 107 Ų | 107 | 61.7 Ų | 61.7 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | trans | -71.4 | 110.8 | 174.1 | -93.2 | -73.5 | 0 | 0 | 0 | 109.4 | G241 E253 | G241-H251 PolarHBondContact O-N 3.23Å; H251-E253 PolarHBondContact O-N 2.7Å | ||
| 252 | D | 63.4 | Low | 68.4 | Low | 77 Ų | 77 | 69.1 Ų | 69.1 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | trans | -69.4 | 100.4 | 175 | -176.5 | -21.7 | 0 | 0 | 0 | 109.6 | N250 C254 V255 D267 | N250-D252 PolarHBondContact O-N 3.02Å; D252-C254 PolarHBondContact O-N 2.96Å; D252-C254 WeakPolarHBondContact OD1-CA 3Å; D252-C254 WeakPolarHBondContact OD1-CB 3.41Å; D252-C254 PolarHBondContact OD1-N 2.86Å; D252-V255 HydrophobicContact CB-CG2 4.02Å; D252-D267 WeakPolarHBondContact CA-OD1 3.15Å | ||
| 253 | E | 68.4 | Low | 68.3 | Low | 42 Ų | 42 | 68 Ų | 68 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -70.7 | -18.4 | -178.9 | -86.7 | 106.6 | -150.4 | 0 | 0 | 112.3 | H251 V255 Y258 D267 A270 D271 | H251-E253 PolarHBondContact O-N 2.7Å; E253-V255 VanDerWaalsContact C-N 3.29Å; E253-V255 PolarHBondContact O-N 3.36Å; E253-Y258 HydrophobicContact CB-CE2 4.46Å; E253-Y258 WeakPolarHBondContact O-CD2 3.48Å; E253-Y258 VanDerWaalsContact O-CE2 3.24Å; E253-Y258 WeakPolarHBondContact O-CE2 3.36Å; E253-D267 PolarHBondContact N-OD1 2.89Å; E253-D267 VanDerWaalsContact N-OD1 3.14Å; E253-A270 WeakPolarHBondContact OE2-CA 3.49Å; E253-D271 PolarHBondContact OE2-N 2.03Å |
| 254 | C | 67.8 | Low | 68.7 | Low | 28 Ų | 28 | 72 Ų | 72 | 19% | 0.189 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -70.2 | -21.5 | -179.4 | -68.1 | 0 | 0 | 0 | 0 | 113.9 | D252 H256 G257 C265 I266 | D252-C254 PolarHBondContact O-N 2.96Å; D252-C254 WeakPolarHBondContact OD1-CA 3Å; D252-C254 WeakPolarHBondContact OD1-CB 3.41Å; D252-C254 PolarHBondContact OD1-N 2.86Å; C254-H256 PolarHBondContact O-N 3.39Å; C254-G257 PolarHBondContact O-N 2.84Å; C254-C265 WeakPolarHBondContact CA-SG 2.97Å; C254-C265 HydrophobicContact CB-CB 3.6Å; C254-C265 WeakPolarHBondContact CB-SG 3.39Å; C254-C265 VanDerWaalsContact SG-C 3.57Å; C254-C265 WeakPolarHBondContact SG-CB 3.48Å; C254-C265 CovalentContact SG-SG 2.03Å; C254-C265 PolarHBondContact SG-SG 2.73Å; C254-I266 VanDerWaalsContact SG-C 3.55Å |
| 255 | V | 62.2 | Low | 69 | Low | 110 Ų | 110 | 72 Ų | 72 | 67% | 0.667 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -63.6 | -25.7 | -179.5 | -177 | 0 | 0 | 0 | 0 | 112.6 | D252 E253 G257 | D252-V255 HydrophobicContact CB-CG2 4.02Å; E253-V255 VanDerWaalsContact C-N 3.29Å; E253-V255 PolarHBondContact O-N 3.36Å; V255-G257 PolarHBondContact O-N 3.32Å |
| 256 | H | 58.6 | Low | 68.8 | Low | 144 Ų | 144 | 70 Ų | 70 | 67% | 0.667 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -89.4 | 7.9 | -177.7 | -70.3 | 94 | 0 | 0 | 0 | 114.7 | C254 Y258 | C254-H256 PolarHBondContact O-N 3.39Å; H256-Y258 HydrophobicContact CB-CD2 4.38Å; H256-Y258 HydrophobicContact CB-CE2 3.7Å |
| 257 | G | 59.3 | Low | 68.3 | Low | 58 Ų | 58 | 70.5 Ų | 70.5 | 60% | 0.598 | 39% | 0.388 | S | S | * | . | trans | 78 | 29.2 | 166 | 0 | 0 | 0 | 0 | 0 | 116.1 | C254 V255 C259 | C254-G257 PolarHBondContact O-N 2.84Å; V255-G257 PolarHBondContact O-N 3.32Å; G257-C259 PolarHBondContact O-N 2.83Å | ||
| 258 | Y | 68.1 | Low | 67.7 | Low | 109 Ų | 109 | 74 Ų | 74 | 43% | 0.427 | 41% | 0.406 | S | S | . | . | trans | -69.1 | -11.9 | -177 | -60 | -61.3 | 0 | 0 | 0 | 115.6 | E253 H256 Y272 N284 | E253-Y258 HydrophobicContact CB-CE2 4.46Å; E253-Y258 WeakPolarHBondContact O-CD2 3.48Å; E253-Y258 VanDerWaalsContact O-CE2 3.24Å; E253-Y258 WeakPolarHBondContact O-CE2 3.36Å; H256-Y258 HydrophobicContact CB-CD2 4.38Å; H256-Y258 HydrophobicContact CB-CE2 3.7Å; Y258-Y272 HydrophobicContact CD2-CD1 4.34Å; Y258-Y272 HydrophobicContact CD2-CE1 4.22Å; Y258-Y272 HydrophobicContact CG-CE1 4.17Å; Y258-N284 VanDerWaalsContact O-CB 3.26Å; Y258-N284 WeakPolarHBondContact O-CB 3.41Å | ||
| 259 | C | 69.1 | Low | 67.2 | Low | 22 Ų | 22 | 74.2 Ų | 74.2 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -101.2 | 120.4 | 178 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | G257 S263 C265 C274 | G257-C259 PolarHBondContact O-N 2.83Å; C259-S263 WeakPolarHBondContact CB-OG 3.43Å; C259-C265 HydrophobicContact CB-CB 4.23Å; C259-C265 WeakPolarHBondContact SG-CB 3.32Å; C259-C265 PolarHBondContact SG-SG 2.95Å; C259-C274 WeakPolarHBondContact CA-SG 3.05Å; C259-C274 HydrophobicContact CB-CB 3.8Å; C259-C274 WeakPolarHBondContact CB-SG 3.39Å; C259-C274 WeakPolarHBondContact SG-CB 3.2Å; C259-C274 CovalentContact SG-SG 2.03Å; C259-C274 PolarHBondContact SG-SG 3.39Å |
| 260 | A | 68.2 | Low | 66.7 | Low | 34 Ų | 34 | 72.6 Ų | 72.6 | 28% | 0.281 | 41% | 0.413 | S | S | . | . | trans | -88.1 | 170.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | N262 S263 N284 | A260-N262 PolarHBondContact O-N 2.89Å; A260-S263 WeakPolarHBondContact O-CB 2.96Å; A260-S263 PolarHBondContact O-N 3.07Å; A260-S263 PolarHBondContact O-OG 2.8Å; A260-N284 WeakPolarHBondContact CB-O 3.05Å; A260-N284 PolarHBondContact N-O 3.32Å; A260-N284 VanDerWaalsContact N-O 3.08Å | ||
| 261 | N | 64.3 | Low | 66.7 | Low | 90 Ų | 90 | 73.8 Ų | 73.8 | 48% | 0.481 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 38.1 | 171.3 | -58.7 | -44 | 0 | 0 | 0 | 115.4 | S263 C285 | N261-S263 PolarHBondContact O-N 3.47Å; N261-C285 PolarHBondContact ND2-O 2.82Å |
| 262 | N | 66.8 | Low | 67.2 | Low | 169 Ų | 169 | 71.2 Ų | 71.2 | 90% | 0.904 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 33 | -175.6 | -69 | 4.7 | 0 | 0 | 0 | 113.6 | A260 | A260-N262 PolarHBondContact O-N 2.89Š|
| 263 | S | 69.2 | Low | 67.8 | Low | 16 Ų | 16 | 73 Ų | 73 | 11% | 0.112 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 149.9 | 172.6 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | C259 A260 N261 I275 | C259-S263 WeakPolarHBondContact CB-OG 3.43Å; A260-S263 WeakPolarHBondContact O-CB 2.96Å; A260-S263 PolarHBondContact O-N 3.07Å; A260-S263 PolarHBondContact O-OG 2.8Å; N261-S263 PolarHBondContact O-N 3.47Å; S263-I275 VanDerWaalsContact CB-O 3.26Å; S263-I275 WeakPolarHBondContact CB-O 3.49Å |
| 264 | T | 77.9 | Confident | 68.3 | Low | 94 Ų | 94 | 71.7 Ų | 71.7 | 58% | 0.577 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 123.9 | 179.6 | -43.8 | 0 | 0 | 0 | 0 | 109.7 | I275 | T264-I275 PolarHBondContact O-N 3.42Å |
| 265 | C | 76.1 | Confident | 68.6 | Low | 34 Ų | 34 | 74.9 Ų | 74.9 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 143 | 174.3 | -169.2 | 0 | 0 | 0 | 0 | 110.8 | C254 C259 | C254-C265 WeakPolarHBondContact CA-SG 2.97Å; C254-C265 HydrophobicContact CB-CB 3.6Å; C254-C265 WeakPolarHBondContact CB-SG 3.39Å; C254-C265 VanDerWaalsContact SG-C 3.57Å; C254-C265 WeakPolarHBondContact SG-CB 3.48Å; C254-C265 CovalentContact SG-SG 2.03Å; C254-C265 PolarHBondContact SG-SG 2.73Å; C259-C265 HydrophobicContact CB-CB 4.23Å; C259-C265 WeakPolarHBondContact SG-CB 3.32Å; C259-C265 PolarHBondContact SG-SG 2.95Å |
| 266 | I | 73.3 | Confident | 69.1 | Low | 76 Ų | 76 | 71.8 Ų | 71.8 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.8 | 171.2 | -59.6 | 179.4 | 0 | 0 | 0 | 108 | C254 E273 I275 | C254-I266 VanDerWaalsContact SG-C 3.55Å; I266-E273 PolarHBondContact N-O 2.96Å; I266-E273 PolarHBondContact O-N 2.9Å; I266-I275 HydrophobicContact CD1-CD1 3.76Å; I266-I275 HydrophobicContact CD1-CG1 4.35Å |
| 267 | D | 69 | Low | 69.4 | Low | 50 Ų | 50 | 67.7 Ų | 67.7 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 137 | 177.1 | -173.7 | 53.6 | 0 | 0 | 0 | 111.3 | N250 D252 E253 | N250-D267 PolarHBondContact ND2-OD2 2.92Å; D252-D267 WeakPolarHBondContact CA-OD1 3.15Å; E253-D267 PolarHBondContact N-OD1 2.89Å; E253-D267 VanDerWaalsContact N-OD1 3.14Å |
| 268 | L | 65.7 | Low | 69.7 | Low | 74 Ų | 74 | 70.3 Ų | 70.3 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 162.2 | 173.2 | -55.4 | 169.4 | 0 | 0 | 0 | 108.3 | A270 D271 E273 | L268-A270 PolarHBondContact O-N 3.35Å; L268-D271 CarbonylContact C-O 3.46Å; L268-D271 WeakPolarHBondContact CA-O 3.01Å; L268-D271 HydrophobicContact CB-CB 4.46Å; L268-D271 VanDerWaalsContact CB-O 3.26Å; L268-D271 WeakPolarHBondContact CB-O 3.11Å; L268-D271 PolarHBondContact N-O 3.12Å; L268-D271 PolarHBondContact O-N 3.44Å; L268-E273 HydrophobicContact CD1-CB 4.32Å |
| 269 | V | 65.2 | Low | 69.4 | Low | 91 Ų | 91 | 67 Ų | 67 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 106.5 | -179.1 | 179 | 0 | 0 | 0 | 0 | 110.4 | F242 D271 | F242-V269 HydrophobicContact CD2-CG1 4.42Å; F242-V269 HydrophobicContact CE2-CG1 3.41Å; F242-V269 VanDerWaalsContact CE2-CG1 3.41Å; F242-V269 HydrophobicContact CZ-CB 4.46Å; F242-V269 HydrophobicContact CZ-CG1 3.46Å; F242-V269 VanDerWaalsContact CZ-CG1 3.46Å; F242-V269 HydrophobicContact CZ-CG2 4.11Å; V269-D271 VanDerWaalsContact C-N 3.27Å; V269-D271 PolarHBondContact O-N 2.88Å |
| 270 | A | 60.3 | Low | 69.2 | Low | 53 Ų | 53 | 70 Ų | 70 | 44% | 0.438 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 27.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | E253 L268 | E253-A270 WeakPolarHBondContact OE2-CA 3.49Å; L268-A270 PolarHBondContact O-N 3.35Å |
| 271 | D | 64.6 | Low | 69.2 | Low | 71 Ų | 71 | 69.1 Ų | 69.1 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 167.8 | 171.9 | -157.7 | 10.3 | 0 | 0 | 0 | 111.4 | E253 L268 V269 K283 | E253-D271 PolarHBondContact OE2-N 2.03Å; L268-D271 CarbonylContact C-O 3.46Å; L268-D271 WeakPolarHBondContact CA-O 3.01Å; L268-D271 HydrophobicContact CB-CB 4.46Å; L268-D271 VanDerWaalsContact CB-O 3.26Å; L268-D271 WeakPolarHBondContact CB-O 3.11Å; L268-D271 PolarHBondContact N-O 3.12Å; L268-D271 PolarHBondContact O-N 3.44Å; V269-D271 VanDerWaalsContact C-N 3.27Å; V269-D271 PolarHBondContact O-N 2.88Å; D271-K283 IonicContact OD1-NZ 2.92Å; D271-K283 PolarHBondContact OD1-NZ 2.03Å; D271-K283 IonicContact OD2-NZ 3.62Å; D271-K283 PolarHBondContact OD2-NZ 2.04Å |
| 272 | Y | 74.1 | Confident | 69.2 | Low | 53 Ų | 53 | 66.7 Ų | 66.7 | 21% | 0.208 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150.3 | 177.2 | 66.9 | -85.6 | 0 | 0 | 0 | 112.9 | Y258 K283 | Y258-Y272 HydrophobicContact CD2-CD1 4.34Å; Y258-Y272 HydrophobicContact CD2-CE1 4.22Å; Y258-Y272 HydrophobicContact CG-CE1 4.17Å; Y272-K283 WeakPolarHBondContact O-CE 3.4Å |
| 273 | E | 76.3 | Confident | 69.3 | Low | 116 Ų | 116 | 64 Ų | 64 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.1 | 176 | -172.7 | 170.2 | -165.6 | 0 | 0 | 111.6 | I266 L268 | I266-E273 PolarHBondContact N-O 2.96Å; I266-E273 PolarHBondContact O-N 2.9Å; L268-E273 HydrophobicContact CD1-CB 4.32Å |
| 274 | C | 77.3 | Confident | 69.3 | Low | 13 Ų | 13 | 66.4 Ų | 66.4 | 9% | 0.088 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.9 | 176.7 | -53 | 0 | 0 | 0 | 0 | 111.1 | C259 C276 K283 C285 | C259-C274 WeakPolarHBondContact CA-SG 3.05Å; C259-C274 HydrophobicContact CB-CB 3.8Å; C259-C274 WeakPolarHBondContact CB-SG 3.39Å; C259-C274 WeakPolarHBondContact SG-CB 3.2Å; C259-C274 CovalentContact SG-SG 2.03Å; C259-C274 PolarHBondContact SG-SG 3.39Å; C274-C276 PolarHBondContact O-N 3.21Å; C274-K283 WeakPolarHBondContact CB-O 3.06Å; C274-K283 PolarHBondContact SG-O 3.45Å; C274-C285 VanDerWaalsContact CB-SG 3.6Å |
| 275 | I | 75.6 | Confident | 68.9 | Low | 95 Ų | 95 | 61.9 Ų | 61.9 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 108.3 | 174.6 | -59.7 | -179.6 | 0 | 0 | 0 | 109.9 | S263 T264 I266 | S263-I275 VanDerWaalsContact CB-O 3.26Å; S263-I275 WeakPolarHBondContact CB-O 3.49Å; T264-I275 PolarHBondContact O-N 3.42Å; I266-I275 HydrophobicContact CD1-CD1 3.76Å; I266-I275 HydrophobicContact CD1-CG1 4.35Å |
| 276 | C | 73 | Confident | 68.5 | Low | 45 Ų | 45 | 63.3 Ų | 63.3 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 134.6 | -173.4 | -53.5 | 0 | 0 | 0 | 0 | 114.1 | C274 G282 C285 | C274-C276 PolarHBondContact O-N 3.21Å; C276-G282 PolarHBondContact SG-O 2.92Å; C276-C285 WeakPolarHBondContact CA-SG 3.43Å; C276-C285 HydrophobicContact CB-CB 3.7Å; C276-C285 WeakPolarHBondContact CB-SG 3.47Å; C276-C285 PolarHBondContact N-SG 2.77Å; C276-C285 WeakPolarHBondContact SG-CA 3.26Å; C276-C285 WeakPolarHBondContact SG-CB 3.43Å; C276-C285 CovalentContact SG-SG 2.04Å; C276-C285 PolarHBondContact SG-SG 3.46Å |
| 277 | P | 65.1 | Low | 68 | Low | 58 Ų | 58 | 64.5 Ų | 64.5 | 38% | 0.377 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 153.3 | 170.2 | -22.6 | 33.6 | 0 | 0 | 0 | 113.5 | G279 F280 | P277-G279 PolarHBondContact O-N 3.04Å; P277-F280 PolarHBondContact O-N 2.89Å |
| 278 | S | 63.6 | Low | 67.3 | Low | 113 Ų | 113 | 65.9 Ų | 65.9 | 79% | 0.79 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 132.1 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 279 | G | 62.5 | Low | 66.7 | Low | 39 Ų | 39 | 68.8 Ų | 68.8 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -3.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P277 S288 L289 | P277-G279 PolarHBondContact O-N 3.04Å; G279-S288 WeakPolarHBondContact O-CA 3.07Å; G279-L289 PolarHBondContact O-N 3.47Å |
| 280 | F | 64.6 | Low | 65.9 | Low | 85 Ų | 85 | 70.5 Ų | 70.5 | 37% | 0.373 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 158.7 | 176.9 | -63.3 | -92.4 | 0 | 0 | 0 | 113.9 | P277 I287 | P277-F280 PolarHBondContact O-N 2.89Å; F280-I287 CarbonylContact C-O 3.54Å; F280-I287 WeakPolarHBondContact CA-O 3.22Å |
| 281 | G | 68.1 | Low | 65.4 | Low | 17 Ų | 17 | 71.4 Ų | 71.4 | 18% | 0.175 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | -179.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | C285 S286 I287 | G281-C285 CarbonylContact O-C 3.55Å; G281-S286 PolarHBondContact O-N 3.01Å; G281-I287 PolarHBondContact N-O 2.98Å; G281-I287 VanDerWaalsContact O-CB 3.32Å; G281-I287 WeakPolarHBondContact O-CB 3.48Å; G281-I287 WeakPolarHBondContact O-CG1 3.34Å; G281-I287 PolarHBondContact O-N 3.13Å |
| 282 | G | 65.8 | Low | 64.9 | Low | 39 Ų | 39 | 72.9 Ų | 72.9 | 40% | 0.402 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 94.1 | 160.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C276 N284 C285 | C276-G282 PolarHBondContact SG-O 2.92Å; G282-N284 PolarHBondContact O-N 3.05Å; G282-C285 PolarHBondContact O-N 3.37Å |
| 283 | K | 67.6 | Low | 63.8 | Low | 113 Ų | 113 | 76.7 Ų | 76.7 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.5 | -172.3 | -175.7 | 166.4 | 178.3 | 169.7 | 0 | 114.2 | D271 Y272 C274 | D271-K283 IonicContact OD1-NZ 2.92Å; D271-K283 PolarHBondContact OD1-NZ 2.03Å; D271-K283 IonicContact OD2-NZ 3.62Å; D271-K283 PolarHBondContact OD2-NZ 2.04Å; Y272-K283 WeakPolarHBondContact O-CE 3.4Å; C274-K283 WeakPolarHBondContact CB-O 3.06Å; C274-K283 PolarHBondContact SG-O 3.45Å |
| 284 | N | 70.2 | Confident | 62.7 | Low | 65 Ų | 65 | 77.9 Ų | 77.9 | 35% | 0.348 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 15.5 | 175.2 | 71 | -7 | 0 | 0 | 0 | 114 | Y258 A260 G282 S286 | Y258-N284 VanDerWaalsContact O-CB 3.26Å; Y258-N284 WeakPolarHBondContact O-CB 3.41Å; A260-N284 WeakPolarHBondContact CB-O 3.05Å; A260-N284 PolarHBondContact N-O 3.32Å; A260-N284 VanDerWaalsContact N-O 3.08Å; G282-N284 PolarHBondContact O-N 3.05Å; N284-S286 VanDerWaalsContact C-N 3.35Å; N284-S286 PolarHBondContact ND2-OG 2.84Å; N284-S286 PolarHBondContact O-N 3.03Å; N284-S286 WeakPolarHBondContact OD1-CB 3.5Å; N284-S286 PolarHBondContact OD1-N 2.8Å; N284-S286 PolarHBondContact OD1-OG 2.92Å |
| 285 | C | 68.4 | Low | 61.3 | Low | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 52% | 0.517 | C | S | . | . | S | Bend | trans | 60.1 | 30.3 | 176.1 | -50.6 | 0 | 0 | 0 | 0 | 116.9 | N261 C274 C276 G281 G282 | N261-C285 PolarHBondContact ND2-O 2.82Å; C274-C285 VanDerWaalsContact CB-SG 3.6Å; C276-C285 WeakPolarHBondContact CA-SG 3.43Å; C276-C285 HydrophobicContact CB-CB 3.7Å; C276-C285 WeakPolarHBondContact CB-SG 3.47Å; C276-C285 PolarHBondContact N-SG 2.77Å; C276-C285 WeakPolarHBondContact SG-CA 3.26Å; C276-C285 WeakPolarHBondContact SG-CB 3.43Å; C276-C285 CovalentContact SG-SG 2.04Å; C276-C285 PolarHBondContact SG-SG 3.46Å; G281-C285 CarbonylContact O-C 3.55Å; G282-C285 PolarHBondContact O-N 3.37Å |
| 286 | S | 67.9 | Low | 60.2 | Low | 64 Ų | 64 | 84.8 Ų | 84.8 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | trans | -90.7 | -11.4 | -175.4 | -59.1 | 0 | 0 | 0 | 0 | 116.2 | G281 N284 | G281-S286 PolarHBondContact O-N 3.01Å; N284-S286 VanDerWaalsContact C-N 3.35Å; N284-S286 PolarHBondContact ND2-OG 2.84Å; N284-S286 PolarHBondContact O-N 3.03Å; N284-S286 WeakPolarHBondContact OD1-CB 3.5Å; N284-S286 PolarHBondContact OD1-N 2.8Å; N284-S286 PolarHBondContact OD1-OG 2.92Å | ||
| 287 | I | 63.1 | Low | 59.4 | Low | 101 Ų | 101 | 89.8 Ų | 89.8 | 52% | 0.518 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.6 | -171.2 | -51.3 | 171.1 | 0 | 0 | 0 | 109.9 | F280 G281 | F280-I287 CarbonylContact C-O 3.54Å; F280-I287 WeakPolarHBondContact CA-O 3.22Å; G281-I287 PolarHBondContact N-O 2.98Å; G281-I287 VanDerWaalsContact O-CB 3.32Å; G281-I287 WeakPolarHBondContact O-CB 3.48Å; G281-I287 WeakPolarHBondContact O-CG1 3.34Å; G281-I287 PolarHBondContact O-N 3.13Å |
| 288 | S | 54.8 | Low | 59.3 | Low | 79 Ų | 79 | 92.4 Ų | 92.4 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.6 | -179.8 | -171.7 | 0 | 0 | 0 | 0 | 113.6 | G279 | G279-S288 WeakPolarHBondContact O-CA 3.07Å |
| 289 | L | 52.1 | Low | 59.2 | Low | 135 Ų | 135 | 88.3 Ų | 88.3 | 71% | 0.707 | 54% | 0.54 | S | S | * | . | trans | -131.7 | 138.9 | -175.4 | -71.9 | 159.1 | 0 | 0 | 0 | 111.8 | G279 | G279-L289 PolarHBondContact O-N 3.47Š| ||
| 290 | S | 48.9 | Very low | 59.1 | Low | 126 Ų | 126 | 94.7 Ų | 94.7 | 88% | 0.881 | 55% | 0.552 | S | S | * | * | trans | -144.8 | 159.2 | -174.9 | 68.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 291 | A | 49.5 | Very low | 58.7 | Low | 73 Ų | 73 | 96.2 Ų | 96.2 | 60% | 0.603 | 56% | 0.564 | S | S | * | * | trans | -138.7 | 86.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L307 | A291-L307 WeakPolarHBondContact O-CD1 3.02Š| ||
| 292 | C | 54.1 | Low | 58.4 | Low | 102 Ų | 102 | 98.6 Ų | 98.6 | 69% | 0.689 | 59% | 0.588 | S | S | * | * | trans | -137.4 | 38.6 | 176 | -85.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 293 | T | 51.8 | Low | 58.4 | Low | 132 Ų | 132 | 97.6 Ų | 97.6 | 81% | 0.81 | 58% | 0.578 | S | S | * | * | trans | -124.3 | 17.3 | -159.7 | 49.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 294 | T | 52.6 | Low | 58.3 | Low | 141 Ų | 141 | 96.7 Ų | 96.7 | 87% | 0.865 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -127.6 | -15.7 | -168.9 | 47.2 | 0 | 0 | 0 | 0 | 120.9 | ||
| 295 | D | 48.5 | Very low | 58 | Low | 120 Ų | 120 | 96.7 Ų | 96.7 | 64% | 0.642 | 59% | 0.586 | S | S | * | * | trans | -152.5 | 126.2 | 175.3 | -159.9 | -33.1 | 0 | 0 | 0 | 114.8 | L297 | D295-L297 PolarHBondContact OD1-N 3.28Š| ||
| 296 | P | 51.9 | Low | 57.7 | Low | 133 Ų | 133 | 100.7 Ų | 100.7 | 86% | 0.864 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -83 | 5.5 | -178.5 | -12.1 | 30 | 0 | 0 | 0 | 118.2 | ||
| 297 | L | 56.3 | Low | 57.1 | Low | 150 Ų | 150 | 101.5 Ų | 101.5 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | trans | -119.9 | 15 | -167.2 | -88.7 | 167 | 0 | 0 | 0 | 117.4 | D295 | D295-L297 PolarHBondContact OD1-N 3.28Š| ||
| 298 | L | 62.3 | Low | 56.4 | Low | 113 Ų | 113 | 98.7 Ų | 98.7 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -81 | -32.3 | -166.2 | -165.7 | 58 | 0 | 0 | 0 | 116.4 | V313 | L298-V313 HydrophobicContact CD2-CG1 3.88Š|
| 299 | C | 61.5 | Low | 56.1 | Low | 28 Ų | 28 | 106.3 Ų | 106.3 | 19% | 0.189 | 61% | 0.61 | C | S | . | * | S | Bend | trans | -101.1 | 129.8 | 175.9 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | G303 C315 | C299-G303 WeakPolarHBondContact CB-O 3.33Å; C299-C315 VanDerWaalsContact CA-SG 3.55Å; C299-C315 HydrophobicContact CB-CB 3.92Å; C299-C315 WeakPolarHBondContact CB-SG 3.48Å; C299-C315 WeakPolarHBondContact SG-CB 3.28Å; C299-C315 CovalentContact SG-SG 2.04Å; C299-C315 PolarHBondContact SG-SG 2.83Å |
| 300 | R | 60.6 | Low | 56 | Low | 173 Ų | 173 | 104.6 Ų | 104.6 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | trans | -93.3 | 167.5 | -178.7 | -67.6 | -174.3 | 175.7 | -164.1 | 0.4 | 112.3 | G302 G303 | R300-G302 PolarHBondContact O-N 2.84Å; R300-G303 PolarHBondContact O-N 2.83Å | ||
| 301 | N | 56.9 | Low | 56.1 | Low | 117 Ų | 117 | 106.9 Ų | 106.9 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55 | 20.3 | 176.8 | -57.1 | -37.5 | 0 | 0 | 0 | 115.9 | C326 | N301-C326 PolarHBondContact ND2-O 3.21Š|
| 302 | G | 61.8 | Low | 56.4 | Low | 67 Ų | 67 | 109.8 Ų | 109.8 | 69% | 0.691 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.2 | 22.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R300 | R300-G302 PolarHBondContact O-N 2.84Š|
| 303 | G | 65.7 | Low | 56.5 | Low | 18 Ų | 18 | 108.7 Ų | 108.7 | 19% | 0.186 | 59% | 0.593 | C | S | . | * | trans | -76.1 | 159.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C299 R300 I316 | C299-G303 WeakPolarHBondContact CB-O 3.33Å; R300-G303 PolarHBondContact O-N 2.83Å; G303-I316 CarbonylContact C-O 3.52Å; G303-I316 WeakPolarHBondContact CA-O 3.38Å | ||
| 304 | T | 66.1 | Low | 56.9 | Low | 93 Ų | 93 | 106.5 Ų | 106.5 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.4 | -174.5 | -43.2 | 0 | 0 | 0 | 0 | 111.6 | C315 I316 | T304-C315 CarbonylContact O-C 3.6Å; T304-C315 WeakPolarHBondContact O-CA 3.01Å; T304-I316 PolarHBondContact N-O 2.04Å; T304-I316 VanDerWaalsContact N-O 3.1Å; T304-I316 PolarHBondContact O-N 2.82Å |
| 305 | C | 63.5 | Low | 57.5 | Low | 66 Ų | 66 | 101 Ų | 101 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 141 | -175.6 | -174.7 | 0 | 0 | 0 | 0 | 113.1 | V313 Q314 | C305-V313 VanDerWaalsContact SG-CG1 3.55Å; C305-Q314 WeakPolarHBondContact CA-O 3.22Å |
| 306 | F | 62.1 | Low | 58.5 | Low | 83 Ų | 83 | 99.9 Ų | 99.9 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 165.4 | 169 | 72.2 | -71.7 | 0 | 0 | 0 | 111.8 | Q314 I316 | F306-Q314 HydrophobicContact CD1-CB 4.36Å; F306-Q314 HydrophobicContact CE1-CB 3.79Å; F306-Q314 HydrophobicContact CZ-CB 3.92Å; F306-Q314 PolarHBondContact N-O 3.36Å; F306-Q314 PolarHBondContact O-N 2.92Å; F306-I316 HydrophobicContact CD1-CD1 3.83Å; F306-I316 HydrophobicContact CD1-CG1 3.69Å; F306-I316 HydrophobicContact CE1-CD1 3.84Å; F306-I316 HydrophobicContact CE1-CG1 3.42Å; F306-I316 VanDerWaalsContact CE1-CG1 3.42Å; F306-I316 HydrophobicContact CZ-CG1 4.49Å |
| 307 | L | 55.1 | Low | 59 | Low | 82 Ų | 82 | 95.4 Ų | 95.4 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 144.1 | 178.1 | -77 | 164.2 | 0 | 0 | 0 | 110.9 | A291 V313 | A291-L307 WeakPolarHBondContact O-CD1 3.02Å; L307-V313 HydrophobicContact CD2-CG2 4.14Å |
| 308 | S | 48.7 | Very low | 59.2 | Low | 41 Ų | 41 | 90.8 Ų | 90.8 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | trans | -113.4 | 167.8 | 177.6 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | T310 E311 | S308-T310 PolarHBondContact O-N 2.84Å; S308-E311 PolarHBondContact O-N 3.41Å; S308-E311 VanDerWaalsContact O-N 3.13Å | ||
| 309 | Y | 48.6 | Very low | 58.9 | Low | 239 Ų | 239 | 93.9 Ų | 93.9 | 94% | 0.937 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 17.2 | -175.2 | -59.9 | -85.5 | 0 | 0 | 0 | 115.6 | ||
| 310 | T | 49.2 | Very low | 58.7 | Low | 99 Ų | 99 | 95.3 Ų | 95.3 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | 13.1 | 174.5 | 59.4 | 0 | 0 | 0 | 0 | 113 | S308 E312 | S308-T310 PolarHBondContact O-N 2.84Å; T310-E312 PolarHBondContact O-N 3.29Å |
| 311 | E | 52.4 | Low | 58.7 | Low | 175 Ų | 175 | 93.5 Ų | 93.5 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | S | Bend | trans | 59.6 | 21.9 | -178.4 | -59.4 | -167 | 170.3 | 0 | 0 | 115.9 | S308 | S308-E311 PolarHBondContact O-N 3.41Å; S308-E311 VanDerWaalsContact O-N 3.13Å |
| 312 | E | 54.5 | Low | 58.9 | Low | 133 Ų | 133 | 90.7 Ų | 90.7 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | trans | -104.5 | 149.5 | 171.6 | -68.4 | -171.9 | 146.3 | 0 | 0 | 112.8 | T310 | T310-E312 PolarHBondContact O-N 3.29Š| ||
| 313 | V | 55.7 | Low | 59 | Low | 79 Ų | 79 | 89.3 Ų | 89.3 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.5 | -175.9 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | L298 C305 L307 | L298-V313 HydrophobicContact CD2-CG1 3.88Å; C305-V313 VanDerWaalsContact SG-CG1 3.55Å; L307-V313 HydrophobicContact CD2-CG2 4.14Å |
| 314 | Q | 61.1 | Low | 59 | Low | 87 Ų | 87 | 91.8 Ų | 91.8 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 141.5 | 178.4 | -64.7 | -169.7 | -9.9 | 0 | 0 | 113.2 | C305 F306 | C305-Q314 WeakPolarHBondContact CA-O 3.22Å; F306-Q314 HydrophobicContact CD1-CB 4.36Å; F306-Q314 HydrophobicContact CE1-CB 3.79Å; F306-Q314 HydrophobicContact CZ-CB 3.92Å; F306-Q314 PolarHBondContact N-O 3.36Å; F306-Q314 PolarHBondContact O-N 2.92Å |
| 315 | C | 65.1 | Low | 58.9 | Low | 24 Ų | 24 | 90.5 Ų | 90.5 | 16% | 0.162 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.8 | 174.3 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | C299 T304 | C299-C315 VanDerWaalsContact CA-SG 3.55Å; C299-C315 HydrophobicContact CB-CB 3.92Å; C299-C315 WeakPolarHBondContact CB-SG 3.48Å; C299-C315 WeakPolarHBondContact SG-CB 3.28Å; C299-C315 CovalentContact SG-SG 2.04Å; C299-C315 PolarHBondContact SG-SG 2.83Å; T304-C315 CarbonylContact O-C 3.6Å; T304-C315 WeakPolarHBondContact O-CA 3.01Å |
| 316 | I | 68.8 | Low | 58.9 | Low | 98 Ų | 98 | 87.4 Ų | 87.4 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.2 | 172 | -55.7 | 177.2 | 0 | 0 | 0 | 109.5 | G303 T304 F306 | G303-I316 CarbonylContact C-O 3.52Å; G303-I316 WeakPolarHBondContact CA-O 3.38Å; T304-I316 PolarHBondContact N-O 2.04Å; T304-I316 VanDerWaalsContact N-O 3.1Å; T304-I316 PolarHBondContact O-N 2.82Å; F306-I316 HydrophobicContact CD1-CD1 3.83Å; F306-I316 HydrophobicContact CD1-CG1 3.69Å; F306-I316 HydrophobicContact CE1-CD1 3.84Å; F306-I316 HydrophobicContact CE1-CG1 3.42Å; F306-I316 VanDerWaalsContact CE1-CG1 3.42Å; F306-I316 HydrophobicContact CZ-CG1 4.49Å |
| 317 | C | 63.4 | Low | 58.8 | Low | 38 Ų | 38 | 86.9 Ų | 86.9 | 26% | 0.257 | 49% | 0.49 | S | S | . | . | trans | -106.2 | 142.7 | -170.5 | -54.8 | 0 | 0 | 0 | 0 | 114.5 | G323 C326 | C317-G323 PolarHBondContact SG-O 3.37Å; C317-G323 VanDerWaalsContact SG-O 3.39Å; C317-C326 WeakPolarHBondContact CA-SG 3.47Å; C317-C326 HydrophobicContact CB-CB 3.61Å; C317-C326 WeakPolarHBondContact CB-SG 3.45Å; C317-C326 WeakPolarHBondContact SG-CA 2.99Å; C317-C326 WeakPolarHBondContact SG-CB 3.43Å; C317-C326 CovalentContact SG-SG 2.04Å; C317-C326 PolarHBondContact SG-SG 2.88Å | ||
| 318 | P | 60.9 | Low | 59 | Low | 53 Ų | 53 | 85.8 Ų | 85.8 | 34% | 0.344 | 49% | 0.489 | S | S | . | . | trans | -64.4 | 151.4 | 173.1 | -22.5 | 34.2 | 0 | 0 | 0 | 113.9 | G320 Y321 | P318-G320 PolarHBondContact O-N 2.99Å; P318-Y321 PolarHBondContact O-N 2.85Å; P318-Y321 VanDerWaalsContact O-N 3.1Å | ||
| 319 | L | 55.7 | Low | 59.1 | Low | 179 Ų | 179 | 87.8 Ų | 87.8 | 94% | 0.937 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.1 | -177.6 | -74.3 | 169.5 | 0 | 0 | 0 | 113.1 | ||
| 320 | G | 56.7 | Low | 59.2 | Low | 57 Ų | 57 | 83.6 Ų | 83.6 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | -4.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | P318 S329 | P318-G320 PolarHBondContact O-N 2.99Å; G320-S329 WeakPolarHBondContact O-CB 3.01Å |
| 321 | Y | 60.3 | Low | 59.3 | Low | 136 Ų | 136 | 84.5 Ų | 84.5 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | trans | -127.3 | 152.7 | 176.5 | -58.9 | -89.1 | 0 | 0 | 0 | 113 | P318 S328 | P318-Y321 PolarHBondContact O-N 2.85Å; P318-Y321 VanDerWaalsContact O-N 3.1Å; Y321-S328 CarbonylContact C-O 3.31Å; Y321-S328 VanDerWaalsContact C-O 3.31Å; Y321-S328 WeakPolarHBondContact CA-O 3.43Å | ||
| 322 | S | 62.4 | Low | 59.4 | Low | 57 Ų | 57 | 84.2 Ų | 84.2 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | B | Isolated β-bridge | trans | -152.5 | 169.1 | -178.4 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | S327 S328 | S322-S327 PolarHBondContact O-N 2.72Å; S322-S327 VanDerWaalsContact O-N 3.17Å; S322-S328 PolarHBondContact N-O 3.32Å; S322-S328 PolarHBondContact O-N 2.03Å; S322-S328 PolarHBondContact O-OG 3.05Å; S322-S328 PolarHBondContact OG-O 3.06Å; S322-S328 PolarHBondContact OG-OG 3.44Å |
| 323 | G | 62 | Low | 59.4 | Low | 39 Ų | 39 | 80.3 Ų | 80.3 | 40% | 0.402 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | 153.4 | -172 | 0 | 0 | 0 | 0 | 0 | 112.1 | C317 D325 C326 | C317-G323 PolarHBondContact SG-O 3.37Å; C317-G323 VanDerWaalsContact SG-O 3.39Å; G323-D325 PolarHBondContact O-N 3.22Å; G323-C326 PolarHBondContact O-N 3.29Å |
| 324 | G | 66.5 | Low | 59.4 | Low | 70 Ų | 70 | 83.3 Ų | 83.3 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -15.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 325 | D | 64.3 | Low | 59.2 | Low | 66 Ų | 66 | 83.5 Ų | 83.5 | 35% | 0.353 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 10.5 | 174.7 | 76 | -28.5 | 0 | 0 | 0 | 113.5 | G323 S327 | G323-D325 PolarHBondContact O-N 3.22Å; D325-S327 VanDerWaalsContact OD1-CB 3.32Å; D325-S327 WeakPolarHBondContact OD1-CB 3.06Å; D325-S327 PolarHBondContact OD1-OG 2.79Å |
| 326 | C | 63.8 | Low | 58.8 | Low | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 65.1 | 178 | -49.9 | 0 | 0 | 0 | 0 | 116.2 | N301 C317 G323 | N301-C326 PolarHBondContact ND2-O 3.21Å; C317-C326 WeakPolarHBondContact CA-SG 3.47Å; C317-C326 HydrophobicContact CB-CB 3.61Å; C317-C326 WeakPolarHBondContact CB-SG 3.45Å; C317-C326 WeakPolarHBondContact SG-CA 2.99Å; C317-C326 WeakPolarHBondContact SG-CB 3.43Å; C317-C326 CovalentContact SG-SG 2.04Å; C317-C326 PolarHBondContact SG-SG 2.88Å; G323-C326 PolarHBondContact O-N 3.29Å |
| 327 | S | 59.9 | Low | 58.6 | Low | 73 Ų | 73 | 86.9 Ų | 86.9 | 51% | 0.51 | 54% | 0.537 | S | S | . | . | trans | -133.2 | -2.4 | -165.5 | 53.3 | 0 | 0 | 0 | 0 | 118.9 | S322 D325 | S322-S327 PolarHBondContact O-N 2.72Å; S322-S327 VanDerWaalsContact O-N 3.17Å; D325-S327 VanDerWaalsContact OD1-CB 3.32Å; D325-S327 WeakPolarHBondContact OD1-CB 3.06Å; D325-S327 PolarHBondContact OD1-OG 2.79Å | ||
| 328 | S | 59.1 | Low | 58.9 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | B | Isolated β-bridge | trans | -144.3 | 170.1 | -172.2 | 67 | 0 | 0 | 0 | 0 | 115.8 | Y321 S322 | Y321-S328 CarbonylContact C-O 3.31Å; Y321-S328 VanDerWaalsContact C-O 3.31Å; Y321-S328 WeakPolarHBondContact CA-O 3.43Å; S322-S328 PolarHBondContact N-O 3.32Å; S322-S328 PolarHBondContact O-N 2.03Å; S322-S328 PolarHBondContact O-OG 3.05Å; S322-S328 PolarHBondContact OG-O 3.06Å; S322-S328 PolarHBondContact OG-OG 3.44Å |
| 329 | S | 51.7 | Low | 59.2 | Low | 82 Ų | 82 | 86.4 Ų | 86.4 | 57% | 0.573 | 53% | 0.531 | S | S | * | . | trans | -154.6 | 158.5 | -175.3 | 69.5 | 0 | 0 | 0 | 0 | 114.5 | G320 | G320-S329 WeakPolarHBondContact O-CB 3.01Š| ||
| 330 | V | 50.5 | Low | 59.6 | Low | 152 Ų | 152 | 83.7 Ų | 83.7 | 92% | 0.921 | 52% | 0.524 | S | S | * | . | trans | 175.6 | 168 | 158.2 | 139.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 331 | N | 49.6 | Very low | 60 | Low | 118 Ų | 118 | 89.3 Ų | 89.3 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | trans | -103.9 | 163 | -173.7 | -175.7 | 12.9 | 0 | 0 | 0 | 113.7 | ||||
| 332 | Q | 54.9 | Low | 60.3 | Low | 169 Ų | 169 | 83 Ų | 83 | 79% | 0.79 | 51% | 0.511 | S | S | * | . | trans | -135.6 | -15.8 | -170.8 | -75.4 | -169.9 | -12.3 | 0 | 0 | 119.5 | V334 | Q332-V334 VanDerWaalsContact C-N 3.31Å; Q332-V334 PolarHBondContact O-N 2.87Å | ||
| 333 | C | 56.1 | Low | 60.6 | Low | 50 Ų | 50 | 81.4 Ų | 81.4 | 34% | 0.338 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 59.3 | -158.2 | -53.6 | 0 | 0 | 0 | 0 | 116.8 | E348 | C333-E348 HydrophobicContact CB-CG 4.18Å; C333-E348 WeakPolarHBondContact CB-OE1 3.28Å; C333-E348 PolarHBondContact SG-OE1 2.84Å |
| 334 | V | 55.4 | Low | 60.9 | Low | 143 Ų | 143 | 84.5 Ų | 84.5 | 87% | 0.867 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.9 | 4.6 | -176 | -170.5 | 0 | 0 | 0 | 0 | 112 | Q332 | Q332-V334 VanDerWaalsContact C-N 3.31Å; Q332-V334 PolarHBondContact O-N 2.87Å |
| 335 | S | 56.6 | Low | 61.2 | Low | 91 Ų | 91 | 86.6 Ų | 86.6 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -96 | -1.4 | -171.2 | 50.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 336 | N | 56.7 | Low | 61.1 | Low | 151 Ų | 151 | 86 Ų | 86 | 81% | 0.807 | 50% | 0.5 | S | S | * | . | trans | 50.6 | 63.8 | 177.3 | -143.6 | 31.5 | 0 | 0 | 0 | 116.1 | ||||
| 337 | P | 64.5 | Low | 61.4 | Low | 41 Ų | 41 | 90.3 Ų | 90.3 | 27% | 0.266 | 52% | 0.52 | S | S | . | . | trans | -94.8 | 20.6 | -164.6 | 40 | -40.7 | 0 | 0 | 0 | 116.9 | Y353 H365 | P337-Y353 HydrophobicContact CB-CE1 4.31Å; P337-Y353 HydrophobicContact CB-CE2 3.8Å; P337-Y353 HydrophobicContact CG-CD1 4.08Å; P337-Y353 HydrophobicContact CG-CD2 3.55Å; P337-Y353 HydrophobicContact CG-CE1 3.81Å; P337-Y353 HydrophobicContact CG-CE2 3.24Å; P337-Y353 HydrophobicContact CG-CG 3.97Å; P337-H365 PolarHBondContact O-ND1 2.83Å | ||
| 338 | C | 68.8 | Low | 61.2 | Low | 23 Ų | 23 | 92.5 Ų | 92.5 | 16% | 0.155 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -114 | 152.8 | 179.4 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | P340 T343 C346 C355 | C338-P340 WeakPolarHBondContact O-CD 3.47Å; C338-T343 HydrophobicContact CB-CG2 3.88Å; C338-T343 WeakPolarHBondContact CB-OG1 3.01Å; C338-C346 VanDerWaalsContact SG-SG 3.69Å; C338-C355 HydrophobicContact CB-CB 3.86Å; C338-C355 WeakPolarHBondContact CB-SG 3.41Å; C338-C355 WeakPolarHBondContact SG-CB 3.23Å; C338-C355 CovalentContact SG-SG 2.04Å; C338-C355 PolarHBondContact SG-SG 2.99Å |
| 339 | D | 68.1 | Low | 61.2 | Low | 59 Ų | 59 | 93.5 Ų | 93.5 | 32% | 0.316 | 52% | 0.522 | S | S | . | . | trans | -68.4 | 120.9 | 175.5 | -171.2 | -49.8 | 0 | 0 | 0 | 110.5 | E341 G342 T343 H365 | D339-E341 VanDerWaalsContact C-N 3.34Å; D339-E341 PolarHBondContact O-N 2.81Å; D339-E341 PolarHBondContact OD1-N 3.38Å; D339-G342 PolarHBondContact O-N 3.01Å; D339-G342 PolarHBondContact OD1-N 3.12Å; D339-T343 WeakPolarHBondContact O-CB 3.4Å; D339-T343 PolarHBondContact O-N 2.84Å; D339-T343 PolarHBondContact O-OG1 3.31Å; D339-H365 WeakPolarHBondContact CB-O 3.35Å; D339-H365 PolarHBondContact N-O 2.87Å | ||
| 340 | P | 63.9 | Low | 61.2 | Low | 122 Ų | 122 | 100.3 Ų | 100.3 | 79% | 0.792 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -16.4 | -174.7 | 30.6 | -36.2 | 0 | 0 | 0 | 115 | C338 | C338-P340 WeakPolarHBondContact O-CD 3.47Š|
| 341 | E | 65.8 | Low | 61.2 | Low | 175 Ų | 175 | 98.8 Ų | 98.8 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -27.5 | 174.4 | -64.2 | -162.5 | 174.4 | 0 | 0 | 111.9 | D339 | D339-E341 VanDerWaalsContact C-N 3.34Å; D339-E341 PolarHBondContact O-N 2.81Å; D339-E341 PolarHBondContact OD1-N 3.38Å |
| 342 | G | 65.3 | Low | 61.6 | Low | 2 Ų | 2 | 96.7 Ų | 96.7 | 2% | 0.021 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -19.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | D339 C357 H358 C366 | D339-G342 PolarHBondContact O-N 3.01Å; D339-G342 PolarHBondContact OD1-N 3.12Å; G342-C357 WeakPolarHBondContact O-CA 3.28Å; G342-H358 PolarHBondContact O-N 3.27Å; G342-C366 WeakPolarHBondContact CA-O 3.46Å; G342-C366 WeakPolarHBondContact O-CB 3.32Å |
| 343 | T | 68.9 | Low | 62.1 | Low | 24 Ų | 24 | 92.7 Ų | 92.7 | 15% | 0.147 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.4 | -167.3 | -52 | 0 | 0 | 0 | 0 | 114 | C338 D339 L345 C355 V356 H365 C366 | C338-T343 HydrophobicContact CB-CG2 3.88Å; C338-T343 WeakPolarHBondContact CB-OG1 3.01Å; D339-T343 WeakPolarHBondContact O-CB 3.4Å; D339-T343 PolarHBondContact O-N 2.84Å; D339-T343 PolarHBondContact O-OG1 3.31Å; T343-L345 WeakPolarHBondContact CG2-O 3.49Å; T343-C355 HydrophobicContact CG2-CB 3.98Å; T343-V356 CarbonylContact C-O 3.58Å; T343-V356 WeakPolarHBondContact CG2-O 3.26Å; T343-H365 PolarHBondContact OG1-O 3.39Å; T343-C366 WeakPolarHBondContact OG1-CB 3.21Å |
| 344 | I | 68.3 | Low | 63 | Low | 104 Ų | 104 | 97.3 Ų | 97.3 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -42.8 | 174.1 | -58.3 | 177.7 | 0 | 0 | 0 | 111.9 | V356 C357 | I344-V356 WeakPolarHBondContact CB-O 3.25Å; I344-V356 PolarHBondContact N-O 2.99Å; I344-C357 WeakPolarHBondContact CD1-O 3.28Å |
| 345 | L | 72.4 | Confident | 63.9 | Low | 114 Ų | 114 | 91.2 Ų | 91.2 | 60% | 0.597 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 149.4 | 179.6 | -175.1 | 62.4 | 0 | 0 | 0 | 111.7 | T343 V356 | T343-L345 WeakPolarHBondContact CG2-O 3.49Å; L345-V356 PolarHBondContact O-N 2.84Å |
| 346 | C | 63.7 | Low | 64.7 | Low | 53 Ų | 53 | 89.5 Ų | 89.5 | 36% | 0.358 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.6 | 165.2 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | C338 R354 | C338-C346 VanDerWaalsContact SG-SG 3.69Å; C346-R354 CarbonylContact C-O 3.55Å; C346-R354 WeakPolarHBondContact CA-O 3.37Å |
| 347 | E | 68.5 | Low | 65.5 | Low | 91 Ų | 91 | 84.1 Ų | 84.1 | 43% | 0.425 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.4 | -177.1 | -175.6 | 175.1 | -144 | 0 | 0 | 110.8 | Y353 R354 | E347-Y353 CarbonylContact O-C 3.5Å; E347-Y353 VanDerWaalsContact O-CA 3.29Å; E347-Y353 WeakPolarHBondContact O-CA 3.26Å; E347-R354 PolarHBondContact N-O 3.2Å; E347-R354 PolarHBondContact O-N 2.84Å |
| 348 | E | 56.6 | Low | 66 | Low | 120 Ų | 120 | 87 Ų | 87 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.3 | 178.1 | 178.4 | 169.2 | -143.2 | 0 | 0 | 111.2 | C333 | C333-E348 HydrophobicContact CB-CG 4.18Å; C333-E348 WeakPolarHBondContact CB-OE1 3.28Å; C333-E348 PolarHBondContact SG-OE1 2.84Å |
| 349 | L | 58.9 | Low | 65.6 | Low | 80 Ų | 80 | 95.9 Ų | 95.9 | 42% | 0.419 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 159.3 | 178.1 | -64.7 | 167.6 | 0 | 0 | 0 | 109.5 | S351 T352 R354 | L349-S351 PolarHBondContact O-N 2.84Å; L349-T352 CarbonylContact C-O 3.54Å; L349-T352 WeakPolarHBondContact CA-O 3.19Å; L349-T352 HydrophobicContact CB-CG2 3.89Å; L349-T352 WeakPolarHBondContact CB-O 3.4Å; L349-T352 HydrophobicContact CD1-CG2 4Å; L349-T352 PolarHBondContact N-O 2.89Å; L349-T352 PolarHBondContact O-N 3.2Å; L349-R354 HydrophobicContact CD1-CB 4.29Å |
| 350 | K | 51.4 | Low | 65.4 | Low | 225 Ų | 225 | 94.6 Ų | 94.6 | 98% | 0.978 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -4.9 | -169.5 | -76.5 | -175.4 | 175.4 | 178.6 | 0 | 117 | ||
| 351 | S | 50.9 | Low | 65.6 | Low | 120 Ų | 120 | 91.3 Ų | 91.3 | 84% | 0.839 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.4 | 18.5 | 170.9 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | L349 | L349-S351 PolarHBondContact O-N 2.84Š|
| 352 | T | 57.6 | Low | 65.7 | Low | 73 Ų | 73 | 86.6 Ų | 86.6 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 179.9 | -176 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | L349 | L349-T352 CarbonylContact C-O 3.54Å; L349-T352 WeakPolarHBondContact CA-O 3.19Å; L349-T352 HydrophobicContact CB-CG2 3.89Å; L349-T352 WeakPolarHBondContact CB-O 3.4Å; L349-T352 HydrophobicContact CD1-CG2 4Å; L349-T352 PolarHBondContact N-O 2.89Å; L349-T352 PolarHBondContact O-N 3.2Å |
| 353 | Y | 66.6 | Low | 65.6 | Low | 85 Ų | 85 | 88 Ų | 88 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 166.5 | 173.4 | 63.2 | -87.8 | 0 | 0 | 0 | 111.3 | P337 E347 H365 | P337-Y353 HydrophobicContact CB-CE1 4.31Å; P337-Y353 HydrophobicContact CB-CE2 3.8Å; P337-Y353 HydrophobicContact CG-CD1 4.08Å; P337-Y353 HydrophobicContact CG-CD2 3.55Å; P337-Y353 HydrophobicContact CG-CE1 3.81Å; P337-Y353 HydrophobicContact CG-CE2 3.24Å; P337-Y353 HydrophobicContact CG-CG 3.97Å; E347-Y353 CarbonylContact O-C 3.5Å; E347-Y353 VanDerWaalsContact O-CA 3.29Å; E347-Y353 WeakPolarHBondContact O-CA 3.26Å; Y353-H365 PolarHBondContact OH-CE1 3.37Å |
| 354 | R | 73.5 | Confident | 65.4 | Low | 148 Ų | 148 | 92 Ų | 92 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 127.9 | 177.3 | -178.4 | -174.3 | -177.3 | -160.8 | 3.4 | 111.9 | C346 E347 L349 | C346-R354 CarbonylContact C-O 3.55Å; C346-R354 WeakPolarHBondContact CA-O 3.37Å; E347-R354 PolarHBondContact N-O 3.2Å; E347-R354 PolarHBondContact O-N 2.84Å; L349-R354 HydrophobicContact CD1-CB 4.29Å |
| 355 | C | 74.4 | Confident | 65.5 | Low | 14 Ų | 14 | 90 Ų | 90 | 10% | 0.095 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 143.6 | 170.7 | -46.8 | 0 | 0 | 0 | 0 | 110.8 | C338 T343 | C338-C355 HydrophobicContact CB-CB 3.86Å; C338-C355 WeakPolarHBondContact CB-SG 3.41Å; C338-C355 WeakPolarHBondContact SG-CB 3.23Å; C338-C355 CovalentContact SG-SG 2.04Å; C338-C355 PolarHBondContact SG-SG 2.99Å; T343-C355 HydrophobicContact CG2-CB 3.98Å |
| 356 | V | 74.8 | Confident | 65.2 | Low | 56 Ų | 56 | 84.6 Ų | 84.6 | 34% | 0.339 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.5 | 176.5 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | T343 I344 L345 C366 | T343-V356 CarbonylContact C-O 3.58Å; T343-V356 WeakPolarHBondContact CG2-O 3.26Å; I344-V356 WeakPolarHBondContact CB-O 3.25Å; I344-V356 PolarHBondContact N-O 2.99Å; L345-V356 PolarHBondContact O-N 2.84Å; V356-C366 VanDerWaalsContact C-SG 3.6Å |
| 357 | C | 72.9 | Confident | 65.4 | Low | 37 Ų | 37 | 86.2 Ų | 86.2 | 25% | 0.25 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 156.9 | -163.3 | -45.8 | 0 | 0 | 0 | 0 | 115.4 | G342 I344 C366 | G342-C357 WeakPolarHBondContact O-CA 3.28Å; I344-C357 WeakPolarHBondContact CD1-O 3.28Å; C357-C366 WeakPolarHBondContact CA-SG 3.3Å; C357-C366 HydrophobicContact CB-CB 3.54Å; C357-C366 WeakPolarHBondContact CB-SG 3.49Å; C357-C366 PolarHBondContact N-SG 3.26Å; C357-C366 VanDerWaalsContact N-SG 3.42Å; C357-C366 WeakPolarHBondContact SG-CA 3.29Å; C357-C366 WeakPolarHBondContact SG-CB 3.44Å; C357-C366 CovalentContact SG-SG 2.04Å; C357-C366 PolarHBondContact SG-SG 2.03Å |
| 358 | H | 74.5 | Confident | 65.3 | Low | 102 Ų | 102 | 84.8 Ų | 84.8 | 47% | 0.472 | 45% | 0.448 | S | S | . | . | trans | -68 | 149.1 | 170.4 | -95 | -67.1 | 0 | 0 | 0 | 113 | G342 G360 N361 | G342-H358 PolarHBondContact O-N 3.27Å; H358-G360 PolarHBondContact O-N 3.39Å; H358-N361 PolarHBondContact O-N 3Å | ||
| 359 | H | 61 | Low | 65.6 | Low | 209 Ų | 209 | 84 Ų | 84 | 97% | 0.968 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 111.6 | 171.5 | -89.4 | -68.7 | 0 | 0 | 0 | 110.8 | ||
| 360 | G | 64.2 | Low | 65.7 | Low | 33 Ų | 33 | 84.3 Ų | 84.3 | 34% | 0.34 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.8 | -16.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H358 P369 I370 | H358-G360 PolarHBondContact O-N 3.39Å; G360-P369 CarbonylContact O-C 3.54Å; G360-P369 WeakPolarHBondContact O-CA 3.27Å; G360-I370 WeakPolarHBondContact O-CG1 3.35Å; G360-I370 PolarHBondContact O-N 3.12Å |
| 361 | N | 66.4 | Low | 66.2 | Low | 53 Ų | 53 | 78.1 Ų | 78.1 | 28% | 0.283 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149 | 178.8 | -63.6 | -15.3 | 0 | 0 | 0 | 112.3 | H358 T368 | H358-N361 PolarHBondContact O-N 3Å; N361-T368 CarbonylContact C-O 3.56Å; N361-T368 VanDerWaalsContact CA-O 3.23Å; N361-T368 WeakPolarHBondContact CA-O 3.07Å |
| 362 | T | 68.2 | Low | 66.9 | Low | 75 Ų | 75 | 76.8 Ų | 76.8 | 46% | 0.46 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | -178 | 178.8 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | C366 E367 T368 I370 | T362-C366 CarbonylContact O-C 3.55Å; T362-E367 PolarHBondContact O-N 3.17Å; T362-T368 VanDerWaalsContact CG2-OG1 3.23Å; T362-T368 WeakPolarHBondContact CG2-OG1 3.39Å; T362-T368 PolarHBondContact N-O 3.49Å; T362-T368 PolarHBondContact O-N 3.07Å; T362-T368 PolarHBondContact O-OG1 2.04Å; T362-I370 HydrophobicContact CG2-CG1 4.22Å |
| 363 | G | 63.6 | Low | 67.6 | Low | 31 Ų | 31 | 74.5 Ų | 74.5 | 32% | 0.32 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 102.1 | 162.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H365 C366 E367 | G363-H365 PolarHBondContact O-N 3.29Å; G363-C366 PolarHBondContact O-N 3.16Å; G363-E367 VanDerWaalsContact C-OE2 3.27Å; G363-E367 WeakPolarHBondContact CA-OE2 3.23Å |
| 364 | T | 65.6 | Low | 67.8 | Low | 110 Ų | 110 | 75 Ų | 75 | 68% | 0.675 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -16.7 | -174.4 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | E367 | T364-E367 PolarHBondContact N-OE2 3.03Š|
| 365 | H | 69.1 | Low | 67.4 | Low | 60 Ų | 60 | 76.3 Ų | 76.3 | 28% | 0.278 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 9.1 | 175.3 | -54.5 | -75.2 | 0 | 0 | 0 | 112.6 | P337 D339 T343 Y353 G363 E367 | P337-H365 PolarHBondContact O-ND1 2.83Å; D339-H365 WeakPolarHBondContact CB-O 3.35Å; D339-H365 PolarHBondContact N-O 2.87Å; T343-H365 PolarHBondContact OG1-O 3.39Å; Y353-H365 PolarHBondContact OH-CE1 3.37Å; G363-H365 PolarHBondContact O-N 3.29Å; H365-E367 VanDerWaalsContact CA-OE2 3.28Å; H365-E367 WeakPolarHBondContact CA-OE2 3.39Å; H365-E367 IonicContact CD2-OE1 3.88Å; H365-E367 PolarHBondContact N-OE2 3.22Å |
| 366 | C | 67.1 | Low | 67 | Low | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.007 | 46% | 0.455 | C | S | . | . | S | Bend | trans | 67.7 | 30.4 | -177.6 | -52.6 | 0 | 0 | 0 | 0 | 115.6 | G342 T343 V356 C357 T362 G363 | G342-C366 WeakPolarHBondContact CA-O 3.46Å; G342-C366 WeakPolarHBondContact O-CB 3.32Å; T343-C366 WeakPolarHBondContact OG1-CB 3.21Å; V356-C366 VanDerWaalsContact C-SG 3.6Å; C357-C366 WeakPolarHBondContact CA-SG 3.3Å; C357-C366 HydrophobicContact CB-CB 3.54Å; C357-C366 WeakPolarHBondContact CB-SG 3.49Å; C357-C366 PolarHBondContact N-SG 3.26Å; C357-C366 VanDerWaalsContact N-SG 3.42Å; C357-C366 WeakPolarHBondContact SG-CA 3.29Å; C357-C366 WeakPolarHBondContact SG-CB 3.44Å; C357-C366 CovalentContact SG-SG 2.04Å; C357-C366 PolarHBondContact SG-SG 2.03Å; T362-C366 CarbonylContact O-C 3.55Å; G363-C366 PolarHBondContact O-N 3.16Å |
| 367 | E | 68.4 | Low | 67.2 | Low | 87 Ų | 87 | 77.9 Ų | 77.9 | 41% | 0.407 | 45% | 0.449 | S | S | . | . | trans | -95.6 | -7.2 | -165.3 | 72.5 | -81.7 | -149.6 | 0 | 0 | 115.6 | T362 G363 T364 H365 | T362-E367 PolarHBondContact O-N 3.17Å; G363-E367 VanDerWaalsContact C-OE2 3.27Å; G363-E367 WeakPolarHBondContact CA-OE2 3.23Å; T364-E367 PolarHBondContact N-OE2 3.03Å; H365-E367 VanDerWaalsContact CA-OE2 3.28Å; H365-E367 WeakPolarHBondContact CA-OE2 3.39Å; H365-E367 IonicContact CD2-OE1 3.88Å; H365-E367 PolarHBondContact N-OE2 3.22Å | ||
| 368 | T | 66.1 | Low | 67.5 | Low | 61 Ų | 61 | 76.6 Ų | 76.6 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.1 | -175.4 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | N361 T362 | N361-T368 CarbonylContact C-O 3.56Å; N361-T368 VanDerWaalsContact CA-O 3.23Å; N361-T368 WeakPolarHBondContact CA-O 3.07Å; T362-T368 VanDerWaalsContact CG2-OG1 3.23Å; T362-T368 WeakPolarHBondContact CG2-OG1 3.39Å; T362-T368 PolarHBondContact N-O 3.49Å; T362-T368 PolarHBondContact O-N 3.07Å; T362-T368 PolarHBondContact O-OG1 2.04Å |
| 369 | P | 62.3 | Low | 67.5 | Low | 105 Ų | 105 | 76 Ų | 76 | 68% | 0.682 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 150.2 | 171.1 | -21.8 | 34.5 | 0 | 0 | 0 | 113.1 | G360 N371 | G360-P369 CarbonylContact O-C 3.54Å; G360-P369 WeakPolarHBondContact O-CA 3.27Å; P369-N371 PolarHBondContact O-N 3.3Å |
| 370 | I | 61.2 | Low | 68 | Low | 86 Ų | 86 | 70.5 Ų | 70.5 | 44% | 0.441 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 119.5 | 177.5 | -63.5 | 170.5 | 0 | 0 | 0 | 110.6 | G360 T362 | G360-I370 WeakPolarHBondContact O-CG1 3.35Å; G360-I370 PolarHBondContact O-N 3.12Å; T362-I370 HydrophobicContact CG2-CG1 4.22Å |
| 371 | N | 61 | Low | 68.3 | Low | 95 Ų | 95 | 72.2 Ų | 72.2 | 51% | 0.508 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 132.5 | 171.4 | 180 | -3.3 | 0 | 0 | 0 | 110.2 | P369 C373 D386 | P369-N371 PolarHBondContact O-N 3.3Å; N371-C373 WeakPolarHBondContact OD1-CB 3.29Å; N371-C373 PolarHBondContact OD1-N 3.36Å; N371-D386 WeakPolarHBondContact OD1-CB 3.25Å |
| 372 | H | 66.6 | Low | 68.9 | Low | 92 Ų | 92 | 70.1 Ų | 70.1 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -87.1 | -9 | 179.2 | -51.4 | 83.6 | 0 | 0 | 0 | 113.8 | D386 | H372-D386 VanDerWaalsContact CB-OD1 3.24Å; H372-D386 WeakPolarHBondContact CB-OD1 3.22Å; H372-D386 IonicContact CG-OD1 3.91Å; H372-D386 PolarHBondContact N-OD1 3.49Å; H372-D386 IonicContact ND1-OD1 2.96Å; H372-D386 PolarHBondContact ND1-OD1 2.87Å |
| 373 | C | 71.4 | Confident | 69.6 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | trans | -83.1 | 124.2 | 170.6 | -73.7 | 0 | 0 | 0 | 0 | 110.7 | N371 C384 | N371-C373 WeakPolarHBondContact OD1-CB 3.29Å; N371-C373 PolarHBondContact OD1-N 3.36Å; C373-C384 VanDerWaalsContact CA-SG 3.54Å; C373-C384 HydrophobicContact CB-CB 3.72Å; C373-C384 WeakPolarHBondContact CB-SG 3Å; C373-C384 WeakPolarHBondContact SG-CB 3.13Å; C373-C384 CovalentContact SG-SG 2.04Å; C373-C384 PolarHBondContact SG-SG 2.87Å | ||
| 374 | V | 71 | Confident | 70.4 | Confident | 96 Ų | 96 | 71 Ų | 71 | 58% | 0.582 | 42% | 0.419 | S | S | * | . | trans | -114.7 | 152 | 170.1 | -61.5 | 0 | 0 | 0 | 0 | 109.9 | G376 L377 | V374-G376 PolarHBondContact O-N 2.82Å; V374-L377 HydrophobicContact CG2-CB 3.9Å; V374-L377 HydrophobicContact CG2-CD1 4.41Å; V374-L377 HydrophobicContact CG2-CD2 4.33Å; V374-L377 HydrophobicContact CG2-CG 4.45Å; V374-L377 WeakPolarHBondContact O-CB 3.02Å; V374-L377 PolarHBondContact O-N 3.22Å; V374-L377 VanDerWaalsContact O-N 3.1Å | ||
| 375 | D | 64.9 | Low | 71 | Confident | 176 Ų | 176 | 68.3 Ų | 68.3 | 94% | 0.941 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 133.3 | -177.4 | -157.2 | 9.6 | 0 | 0 | 0 | 110.8 | ||
| 376 | G | 66.9 | Low | 71.1 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 64% | 0.639 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 5.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | V374 | V374-G376 PolarHBondContact O-N 2.82Š|
| 377 | L | 78.3 | Confident | 71.3 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 21% | 0.209 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -68.2 | -33.6 | 177.9 | -175.1 | 61.7 | 0 | 0 | 0 | 113.6 | V374 F391 F403 | V374-L377 HydrophobicContact CG2-CB 3.9Å; V374-L377 HydrophobicContact CG2-CD1 4.41Å; V374-L377 HydrophobicContact CG2-CD2 4.33Å; V374-L377 HydrophobicContact CG2-CG 4.45Å; V374-L377 WeakPolarHBondContact O-CB 3.02Å; V374-L377 PolarHBondContact O-N 3.22Å; V374-L377 VanDerWaalsContact O-N 3.1Å; L377-F391 HydrophobicContact CD1-CE2 4.35Å; L377-F391 HydrophobicContact CD1-CZ 4.15Å; L377-F391 HydrophobicContact CD2-CD1 3.84Å; L377-F391 HydrophobicContact CD2-CD2 3.62Å; L377-F391 HydrophobicContact CD2-CE1 3.92Å; L377-F391 HydrophobicContact CD2-CE2 3.7Å; L377-F391 HydrophobicContact CD2-CG 3.71Å; L377-F391 HydrophobicContact CD2-CZ 3.87Å; L377-F391 HydrophobicContact CG-CD2 4.21Å; L377-F391 HydrophobicContact CG-CE2 3.9Å; L377-F391 HydrophobicContact CG-CZ 4.15Å; L377-F403 HydrophobicContact CD1-CD1 4.5Å; L377-F403 HydrophobicContact CD1-CE1 4.36Å |
| 378 | C | 80.5 | Confident | 71.1 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 7% | 0.074 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -104.4 | 130.6 | 172.5 | -56.8 | 0 | 0 | 0 | 0 | 108.5 | S382 C384 C393 | C378-S382 VanDerWaalsContact CB-O 3.31Å; C378-S382 WeakPolarHBondContact CB-O 3.1Å; C378-C384 WeakPolarHBondContact SG-CB 3.32Å; C378-C393 VanDerWaalsContact CA-SG 3.56Å; C378-C393 HydrophobicContact CB-CB 3.76Å; C378-C393 WeakPolarHBondContact CB-SG 3.27Å; C378-C393 WeakPolarHBondContact SG-CA 3.49Å; C378-C393 WeakPolarHBondContact SG-CB 3.34Å; C378-C393 CovalentContact SG-SG 2.03Å; C378-C393 PolarHBondContact SG-SG 3.3Å |
| 379 | Q | 74.7 | Confident | 70.8 | Confident | 89 Ų | 89 | 83.4 Ų | 83.4 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -79.4 | 164 | -172.7 | -60.7 | -168.7 | 10.8 | 0 | 0 | 112.4 | G381 S382 F403 E405 | Q379-G381 PolarHBondContact O-N 3.15Å; Q379-G381 VanDerWaalsContact O-N 3.1Å; Q379-S382 VanDerWaalsContact O-CB 3.29Å; Q379-S382 WeakPolarHBondContact O-CB 3.27Å; Q379-S382 PolarHBondContact O-N 2.98Å; Q379-S382 PolarHBondContact O-OG 3.36Å; Q379-F403 PolarHBondContact N-O 3.31Å; Q379-E405 HydrophobicContact CG-CB 4.42Å |
| 380 | H | 70.3 | Confident | 71.2 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | 56.2 | 27.1 | 174.6 | -52 | 105.5 | 0 | 0 | 0 | 115 | S382 L399 C404 | H380-S382 VanDerWaalsContact C-N 3.31Å; H380-S382 PolarHBondContact O-N 3.07Å; H380-L399 HydrophobicContact CB-CD1 3.64Å; H380-C404 PolarHBondContact ND1-O 2.9Å; H380-C404 VanDerWaalsContact ND1-O 3.15Å |
| 381 | G | 70 | Confident | 71.9 | Confident | 68 Ų | 68 | 78.5 Ų | 78.5 | 70% | 0.701 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | 76.1 | 13.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q379 | Q379-G381 PolarHBondContact O-N 3.15Å; Q379-G381 VanDerWaalsContact O-N 3.1Å |
| 382 | S | 79.5 | Confident | 72.8 | Confident | 9 Ų | 9 | 79.4 Ų | 79.4 | 6% | 0.063 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 147.9 | 175.8 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | C378 Q379 H380 C384 L396 C404 | C378-S382 VanDerWaalsContact CB-O 3.31Å; C378-S382 WeakPolarHBondContact CB-O 3.1Å; Q379-S382 VanDerWaalsContact O-CB 3.29Å; Q379-S382 WeakPolarHBondContact O-CB 3.27Å; Q379-S382 PolarHBondContact O-N 2.98Å; Q379-S382 PolarHBondContact O-OG 3.36Å; H380-S382 VanDerWaalsContact C-N 3.31Å; H380-S382 PolarHBondContact O-N 3.07Å; S382-C384 PolarHBondContact O-N 2.76Å; S382-L396 PolarHBondContact OG-N 3.42Å; S382-C404 WeakPolarHBondContact OG-CB 3.46Å |
| 383 | V | 82.1 | Confident | 73.7 | Confident | 88 Ų | 88 | 75.6 Ų | 75.6 | 53% | 0.533 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 123.4 | -169 | -180 | 0 | 0 | 0 | 0 | 111 | V385 D394 | V383-V385 HydrophobicContact CG1-CG2 4.41Å; V383-D394 PolarHBondContact N-O 2.98Å; V383-D394 VanDerWaalsContact N-O 3.15Å; V383-D394 PolarHBondContact O-N 2.9Å |
| 384 | C | 80.6 | Confident | 74.2 | Confident | 36 Ų | 36 | 77.9 Ų | 77.9 | 24% | 0.243 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.9 | 171.3 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | C373 C378 S382 | C373-C384 VanDerWaalsContact CA-SG 3.54Å; C373-C384 HydrophobicContact CB-CB 3.72Å; C373-C384 WeakPolarHBondContact CB-SG 3Å; C373-C384 WeakPolarHBondContact SG-CB 3.13Å; C373-C384 CovalentContact SG-SG 2.04Å; C373-C384 PolarHBondContact SG-SG 2.87Å; C378-C384 WeakPolarHBondContact SG-CB 3.32Å; S382-C384 PolarHBondContact O-N 2.76Å |
| 385 | V | 79.9 | Confident | 74.7 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 33% | 0.327 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 114.7 | 176.8 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | V383 F391 K392 | V383-V385 HydrophobicContact CG1-CG2 4.41Å; V385-F391 CarbonylContact O-C 3.58Å; V385-F391 WeakPolarHBondContact O-CA 3.46Å; V385-K392 PolarHBondContact N-O 3.1Å; V385-K392 PolarHBondContact O-N 3.24Å |
| 386 | D | 70.3 | Confident | 75.2 | Confident | 68 Ų | 68 | 71.1 Ų | 71.1 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.5 | 176.6 | -173.1 | 45.8 | 0 | 0 | 0 | 110.8 | N371 H372 | N371-D386 WeakPolarHBondContact OD1-CB 3.25Å; H372-D386 VanDerWaalsContact CB-OD1 3.24Å; H372-D386 WeakPolarHBondContact CB-OD1 3.22Å; H372-D386 IonicContact CG-OD1 3.91Å; H372-D386 PolarHBondContact N-OD1 3.49Å; H372-D386 IonicContact ND1-OD1 2.96Å; H372-D386 PolarHBondContact ND1-OD1 2.87Å |
| 387 | L | 72.4 | Confident | 75.4 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 45% | 0.45 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.2 | -176.5 | -66.2 | 173.2 | 0 | 0 | 0 | 109.7 | R389 G390 K392 | L387-R389 PolarHBondContact O-N 3.07Å; L387-G390 CarbonylContact C-O 3.48Å; L387-G390 WeakPolarHBondContact CA-O 3.35Å; L387-G390 WeakPolarHBondContact CB-O 3.5Å; L387-G390 PolarHBondContact N-O 3.21Å; L387-G390 PolarHBondContact O-N 3.04Å; L387-K392 HydrophobicContact CD1-CB 3.86Å |
| 388 | S | 63.4 | Low | 75 | Confident | 127 Ų | 127 | 71.3 Ų | 71.3 | 89% | 0.888 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -1.7 | -175.8 | 57.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 389 | R | 60.4 | Low | 74.9 | Confident | 245 Ų | 245 | 71.6 Ų | 71.6 | 93% | 0.925 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.9 | 32.6 | 170.8 | -67.6 | -167.5 | 168.5 | 178.7 | -4.3 | 113.6 | L387 | L387-R389 PolarHBondContact O-N 3.07Š|
| 390 | G | 69.3 | Low | 75 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.2 | -152.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L387 | L387-G390 CarbonylContact C-O 3.48Å; L387-G390 WeakPolarHBondContact CA-O 3.35Å; L387-G390 WeakPolarHBondContact CB-O 3.5Å; L387-G390 PolarHBondContact N-O 3.21Å; L387-G390 PolarHBondContact O-N 3.04Å |
| 391 | F | 76.4 | Confident | 75.2 | Confident | 69 Ų | 69 | 67.6 Ų | 67.6 | 30% | 0.303 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 162.2 | 175.4 | 64.1 | -83.6 | 0 | 0 | 0 | 110.2 | L377 V385 F403 | L377-F391 HydrophobicContact CD1-CE2 4.35Å; L377-F391 HydrophobicContact CD1-CZ 4.15Å; L377-F391 HydrophobicContact CD2-CD1 3.84Å; L377-F391 HydrophobicContact CD2-CD2 3.62Å; L377-F391 HydrophobicContact CD2-CE1 3.92Å; L377-F391 HydrophobicContact CD2-CE2 3.7Å; L377-F391 HydrophobicContact CD2-CG 3.71Å; L377-F391 HydrophobicContact CD2-CZ 3.87Å; L377-F391 HydrophobicContact CG-CD2 4.21Å; L377-F391 HydrophobicContact CG-CE2 3.9Å; L377-F391 HydrophobicContact CG-CZ 4.15Å; V385-F391 CarbonylContact O-C 3.58Å; V385-F391 WeakPolarHBondContact O-CA 3.46Å; F391-F403 HydrophobicContact CE2-CD1 4.22Å; F391-F403 HydrophobicContact CE2-CE1 4.04Å; F391-F403 HydrophobicContact CZ-CD1 4.38Å; F391-F403 AromaticContact CZ-CE1 3.75Å; F391-F403 HydrophobicContact CZ-CE1 3.75Å |
| 392 | K | 80.3 | Confident | 75.7 | Confident | 113 Ų | 113 | 71.2 Ų | 71.2 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 131.3 | 169.3 | 177.2 | 175.6 | -176.4 | -96 | 0 | 108.9 | V385 L387 D394 | V385-K392 PolarHBondContact N-O 3.1Å; V385-K392 PolarHBondContact O-N 3.24Å; L387-K392 HydrophobicContact CD1-CB 3.86Å; K392-D394 IonicContact NZ-OD1 3.67Å; K392-D394 PolarHBondContact NZ-OD1 2.98Å |
| 393 | C | 84.3 | Confident | 75.8 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 8% | 0.081 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 122.6 | 166.4 | -60.2 | 0 | 0 | 0 | 0 | 109.3 | C378 C404 | C378-C393 VanDerWaalsContact CA-SG 3.56Å; C378-C393 HydrophobicContact CB-CB 3.76Å; C378-C393 WeakPolarHBondContact CB-SG 3.27Å; C378-C393 WeakPolarHBondContact SG-CA 3.49Å; C378-C393 WeakPolarHBondContact SG-CB 3.34Å; C378-C393 CovalentContact SG-SG 2.03Å; C378-C393 PolarHBondContact SG-SG 3.3Å; C393-C404 WeakPolarHBondContact CB-SG 3.33Å |
| 394 | D | 82.3 | Confident | 75.6 | Confident | 73 Ų | 73 | 70 Ų | 70 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 99.4 | 164.6 | -80.6 | -14.6 | 0 | 0 | 0 | 107.6 | V383 K392 | V383-D394 PolarHBondContact N-O 2.98Å; V383-D394 VanDerWaalsContact N-O 3.15Å; V383-D394 PolarHBondContact O-N 2.9Å; K392-D394 IonicContact NZ-OD1 3.67Å; K392-D394 PolarHBondContact NZ-OD1 2.98Å |
| 395 | C | 81.4 | Confident | 75.3 | Confident | 47 Ų | 47 | 71.6 Ų | 71.6 | 32% | 0.318 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 140.1 | -178.1 | -55 | 0 | 0 | 0 | 0 | 111.4 | L399 C404 | C395-L399 HydrophobicContact CB-CB 4.05Å; C395-C404 WeakPolarHBondContact CA-SG 3.45Å; C395-C404 HydrophobicContact CB-CB 3.77Å; C395-C404 WeakPolarHBondContact CB-SG 3.02Å; C395-C404 VanDerWaalsContact SG-CA 3.56Å; C395-C404 WeakPolarHBondContact SG-CB 3.33Å; C395-C404 CovalentContact SG-SG 2.04Å; C395-C404 PolarHBondContact SG-SG 2.71Å |
| 396 | L | 75.9 | Confident | 75 | Confident | 83 Ų | 83 | 73.2 Ų | 73.2 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 155.3 | 164.2 | -65.4 | 171 | 0 | 0 | 0 | 109.6 | S382 L399 | S382-L396 PolarHBondContact OG-N 3.42Å; L396-L399 HydrophobicContact CB-CD1 4.35Å; L396-L399 PolarHBondContact O-N 2.92Å |
| 397 | P | 71.9 | Confident | 75.1 | Confident | 91 Ų | 91 | 71.8 Ų | 71.8 | 59% | 0.591 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 147.3 | 173.3 | -26.2 | 36 | 0 | 0 | 0 | 111.4 | L399 N427 | P397-L399 VanDerWaalsContact C-N 3.27Å; P397-L399 PolarHBondContact O-N 2.03Å; P397-N427 WeakPolarHBondContact CB-OD1 3.37Å; P397-N427 WeakPolarHBondContact O-CB 3.4Å; P397-N427 PolarHBondContact O-OD1 3.2Å; P397-N427 VanDerWaalsContact O-OD1 3.12Å |
| 398 | G | 68.1 | Low | 75.3 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 14% | 0.144 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -9.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | N407 I408 N427 | G398-N407 PolarHBondContact O-OD1 2.89Å; G398-I408 WeakPolarHBondContact O-CB 3.03Å; G398-I408 WeakPolarHBondContact O-CG1 3.29Å; G398-I408 PolarHBondContact O-N 3.22Å; G398-N427 PolarHBondContact N-OD1 3.32Å |
| 399 | L | 78.4 | Confident | 75.8 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.7 | 179.8 | -66.9 | 173.5 | 0 | 0 | 0 | 112.8 | H380 C395 L396 P397 C404 L426 | H380-L399 HydrophobicContact CB-CD1 3.64Å; C395-L399 HydrophobicContact CB-CB 4.05Å; L396-L399 HydrophobicContact CB-CD1 4.35Å; L396-L399 PolarHBondContact O-N 2.92Å; P397-L399 VanDerWaalsContact C-N 3.27Å; P397-L399 PolarHBondContact O-N 2.03Å; L399-C404 HydrophobicContact CB-CB 4.26Å; L399-C404 HydrophobicContact CD1-CB 4.37Å; L399-L426 HydrophobicContact CD2-CD2 3.66Å |
| 400 | T | 77.9 | Confident | 76.6 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | -178.2 | 175.6 | -166.2 | 0 | 0 | 0 | 0 | 111 | C404 E405 I406 I408 | T400-C404 CarbonylContact O-C 3.35Å; T400-C404 WeakPolarHBondContact O-CA 3.1Å; T400-E405 PolarHBondContact O-N 2.99Å; T400-I406 HydrophobicContact CG2-CB 3.77Å; T400-I406 HydrophobicContact CG2-CG2 3.79Å; T400-I406 PolarHBondContact N-O 3.42Å; T400-I406 WeakPolarHBondContact O-CB 3.31Å; T400-I406 PolarHBondContact O-N 3.39Å; T400-I408 HydrophobicContact CG2-CG1 3.87Å |
| 401 | G | 74.7 | Confident | 77 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 96.7 | 176.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E405 | G401-E405 VanDerWaalsContact C-OE2 3.29Å; G401-E405 WeakPolarHBondContact CA-OE2 3.41Å |
| 402 | Q | 79.6 | Confident | 77.1 | Confident | 144 Ų | 144 | 65 Ų | 65 | 67% | 0.673 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -80 | -23.2 | -173.9 | -178.6 | 173.1 | -18.8 | 0 | 0 | 112.7 | E405 | Q402-E405 PolarHBondContact N-OE1 3.22Å; Q402-E405 PolarHBondContact N-OE2 2.99Å |
| 403 | F | 81.8 | Confident | 76.8 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 31% | 0.311 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -120.6 | 10.7 | -178.9 | -55.1 | -90.8 | 0 | 0 | 0 | 112 | L377 Q379 F391 E405 | L377-F403 HydrophobicContact CD1-CD1 4.5Å; L377-F403 HydrophobicContact CD1-CE1 4.36Å; Q379-F403 PolarHBondContact N-O 3.31Å; F391-F403 HydrophobicContact CE2-CD1 4.22Å; F391-F403 HydrophobicContact CE2-CE1 4.04Å; F391-F403 HydrophobicContact CZ-CD1 4.38Å; F391-F403 AromaticContact CZ-CE1 3.75Å; F391-F403 HydrophobicContact CZ-CE1 3.75Å; F403-E405 VanDerWaalsContact C-N 3.29Å; F403-E405 VanDerWaalsContact C-OE2 3.32Å; F403-E405 VanDerWaalsContact CA-OE2 3.31Å; F403-E405 WeakPolarHBondContact CA-OE2 3.34Å; F403-E405 PolarHBondContact N-OE2 2.98Å |
| 404 | C | 77.3 | Confident | 76.1 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | S | Bend | trans | 61.4 | 36.9 | -172.4 | -44.3 | 0 | 0 | 0 | 0 | 113 | H380 S382 C393 C395 L399 T400 | H380-C404 PolarHBondContact ND1-O 2.9Å; H380-C404 VanDerWaalsContact ND1-O 3.15Å; S382-C404 WeakPolarHBondContact OG-CB 3.46Å; C393-C404 WeakPolarHBondContact CB-SG 3.33Å; C395-C404 WeakPolarHBondContact CA-SG 3.45Å; C395-C404 HydrophobicContact CB-CB 3.77Å; C395-C404 WeakPolarHBondContact CB-SG 3.02Å; C395-C404 VanDerWaalsContact SG-CA 3.56Å; C395-C404 WeakPolarHBondContact SG-CB 3.33Å; C395-C404 CovalentContact SG-SG 2.04Å; C395-C404 PolarHBondContact SG-SG 2.71Å; L399-C404 HydrophobicContact CB-CB 4.26Å; L399-C404 HydrophobicContact CD1-CB 4.37Å; T400-C404 CarbonylContact O-C 3.35Å; T400-C404 WeakPolarHBondContact O-CA 3.1Å |
| 405 | E | 75.1 | Confident | 75.7 | Confident | 70 Ų | 70 | 71.5 Ų | 71.5 | 33% | 0.327 | 39% | 0.388 | S | S | . | . | trans | -91.2 | -13.4 | -174.5 | 75 | -77 | -163.3 | 0 | 0 | 114.1 | Q379 T400 G401 Q402 F403 | Q379-E405 HydrophobicContact CG-CB 4.42Å; T400-E405 PolarHBondContact O-N 2.99Å; G401-E405 VanDerWaalsContact C-OE2 3.29Å; G401-E405 WeakPolarHBondContact CA-OE2 3.41Å; Q402-E405 PolarHBondContact N-OE1 3.22Å; Q402-E405 PolarHBondContact N-OE2 2.99Å; F403-E405 VanDerWaalsContact C-N 3.29Å; F403-E405 VanDerWaalsContact C-OE2 3.32Å; F403-E405 VanDerWaalsContact CA-OE2 3.31Å; F403-E405 WeakPolarHBondContact CA-OE2 3.34Å; F403-E405 PolarHBondContact N-OE2 2.98Å | ||
| 406 | I | 74.7 | Confident | 75.6 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 45% | 0.446 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121 | -177 | -50.9 | 180 | 0 | 0 | 0 | 108.3 | T400 | T400-I406 HydrophobicContact CG2-CB 3.77Å; T400-I406 HydrophobicContact CG2-CG2 3.79Å; T400-I406 PolarHBondContact N-O 3.42Å; T400-I406 WeakPolarHBondContact O-CB 3.31Å; T400-I406 PolarHBondContact O-N 3.39Å |
| 407 | N | 72.2 | Confident | 75.3 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 141.4 | 166.7 | -159.8 | 45.9 | 0 | 0 | 0 | 109.7 | G398 D409 D424 S425 L426 | G398-N407 PolarHBondContact O-OD1 2.89Å; N407-D409 PolarHBondContact O-N 2.9Å; N407-D424 PolarHBondContact ND2-OD1 2.79Å; N407-D424 PolarHBondContact ND2-OD2 3.44Å; N407-S425 VanDerWaalsContact ND2-C 3.33Å; N407-S425 PolarHBondContact ND2-O 3.5Å; N407-L426 HydrophobicContact CB-CD2 4.4Å; N407-L426 WeakPolarHBondContact OD1-CA 3.06Å |
| 408 | I | 76.1 | Confident | 75 | Confident | 76 Ų | 76 | 70 Ų | 70 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | trans | -77.5 | 119.9 | 169.9 | -63.4 | 172.6 | 0 | 0 | 0 | 106.7 | G398 T400 D410 | G398-I408 WeakPolarHBondContact O-CB 3.03Å; G398-I408 WeakPolarHBondContact O-CG1 3.29Å; G398-I408 PolarHBondContact O-N 3.22Å; T400-I408 HydrophobicContact CG2-CG1 3.87Å; I408-D410 PolarHBondContact O-N 2.81Å | ||
| 409 | D | 73 | Confident | 74.9 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 47% | 0.471 | 41% | 0.408 | S | S | . | . | trans | -71.2 | 96.3 | 178.2 | -172.5 | -15.9 | 0 | 0 | 0 | 109.7 | N407 C411 E412 | N407-D409 PolarHBondContact O-N 2.9Å; D409-C411 PolarHBondContact O-N 3.41Å; D409-C411 VanDerWaalsContact OD1-CB 3.29Å; D409-C411 WeakPolarHBondContact OD1-CB 3.27Å; D409-C411 PolarHBondContact OD1-N 2.99Å; D409-E412 PolarHBondContact O-N 2.81Å | ||
| 410 | D | 77 | Confident | 74.7 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 28% | 0.283 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -7.1 | -178.2 | -74.8 | -60 | 0 | 0 | 0 | 112.8 | I408 D424 G428 Y429 | I408-D410 PolarHBondContact O-N 2.81Å; D410-D424 PolarHBondContact N-OD1 3.45Å; D410-G428 WeakPolarHBondContact OD2-CA 3.38Å; D410-G428 PolarHBondContact OD2-N 2.99Å; D410-Y429 HydrophobicContact CB-CD1 3.9Å; D410-Y429 HydrophobicContact CB-CG 4.41Å |
| 411 | C | 78.3 | Confident | 74.8 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 14% | 0.135 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -9.7 | 179 | -68.8 | 0 | 0 | 0 | 0 | 114.7 | D409 L413 D414 C422 K423 D424 | D409-C411 PolarHBondContact O-N 3.41Å; D409-C411 VanDerWaalsContact OD1-CB 3.29Å; D409-C411 WeakPolarHBondContact OD1-CB 3.27Å; D409-C411 PolarHBondContact OD1-N 2.99Å; C411-L413 PolarHBondContact O-N 2.88Å; C411-D414 PolarHBondContact O-N 3.42Å; C411-C422 WeakPolarHBondContact CA-SG 3.44Å; C411-C422 HydrophobicContact CB-CB 3.73Å; C411-C422 WeakPolarHBondContact CB-SG 3.01Å; C411-C422 WeakPolarHBondContact SG-CB 3.16Å; C411-C422 CovalentContact SG-SG 2.04Å; C411-C422 PolarHBondContact SG-SG 2.97Å; C411-K423 VanDerWaalsContact SG-C 3.54Å; C411-K423 PolarHBondContact SG-N 3.45Å; C411-D424 PolarHBondContact SG-N 2.83Å; C411-D424 VanDerWaalsContact SG-N 3.42Å |
| 412 | E | 78.2 | Confident | 75.2 | Confident | 169 Ų | 169 | 79.2 Ų | 79.2 | 79% | 0.79 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.6 | -176.4 | -122 | -164.4 | 177.6 | 0 | 0 | 114.7 | D409 | D409-E412 PolarHBondContact O-N 2.81Š|
| 413 | L | 74.8 | Confident | 75.2 | Confident | 160 Ų | 160 | 78.3 Ų | 78.3 | 84% | 0.838 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 13.9 | -178.3 | -64 | 177.8 | 0 | 0 | 0 | 114.2 | C411 | C411-L413 PolarHBondContact O-N 2.88Š|
| 414 | D | 69.9 | Low | 74.7 | Confident | 145 Ų | 145 | 77.3 Ų | 77.3 | 78% | 0.775 | 41% | 0.408 | S | S | * | . | trans | 47 | 55 | -174.9 | -65.7 | -44.1 | 0 | 0 | 0 | 113.1 | C411 C416 | C411-D414 PolarHBondContact O-N 3.42Å; D414-C416 PolarHBondContact O-N 3.02Å | ||
| 415 | P | 74.1 | Confident | 74.4 | Confident | 28 Ų | 28 | 79.4 Ų | 79.4 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | trans | -72.2 | -10.2 | -174.1 | 32.4 | -38.2 | 0 | 0 | 0 | 114 | Y429 N441 | P415-Y429 HydrophobicContact CB-CD1 4.38Å; P415-Y429 HydrophobicContact CB-CD2 4.08Å; P415-Y429 HydrophobicContact CB-CE1 4Å; P415-Y429 HydrophobicContact CB-CE2 3.67Å; P415-Y429 HydrophobicContact CB-CG 4.42Å; P415-Y429 HydrophobicContact CG-CD1 4.1Å; P415-Y429 HydrophobicContact CG-CD2 3.69Å; P415-Y429 HydrophobicContact CG-CE1 4.23Å; P415-Y429 HydrophobicContact CG-CE2 3.83Å; P415-Y429 HydrophobicContact CG-CG 3.83Å; P415-N441 WeakPolarHBondContact O-CB 3.46Å; P415-N441 PolarHBondContact O-ND2 3.49Å | ||
| 416 | C | 78.8 | Confident | 73.8 | Confident | 21 Ų | 21 | 81.2 Ų | 81.2 | 14% | 0.142 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -97.5 | 147.9 | -179.9 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | D414 C422 C431 N441 | D414-C416 PolarHBondContact O-N 3.02Å; C416-C422 HydrophobicContact CB-CB 4.39Å; C416-C422 VanDerWaalsContact SG-CA 3.56Å; C416-C422 WeakPolarHBondContact SG-CB 3.02Å; C416-C422 VanDerWaalsContact SG-SG 3.6Å; C416-C431 WeakPolarHBondContact CA-SG 3.46Å; C416-C431 HydrophobicContact CB-CB 3.79Å; C416-C431 WeakPolarHBondContact CB-SG 3.36Å; C416-C431 WeakPolarHBondContact SG-CA 3.48Å; C416-C431 WeakPolarHBondContact SG-CB 3.43Å; C416-C431 CovalentContact SG-SG 2.03Å; C416-C431 PolarHBondContact SG-SG 3.27Å; C416-N441 CarbonylContact C-O 3.28Å; C416-N441 WeakPolarHBondContact CA-O 3.41Å |
| 417 | G | 69.6 | Low | 73.4 | Confident | 20 Ų | 20 | 81.8 Ų | 81.8 | 21% | 0.206 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 162.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L419 S420 N441 | G417-L419 PolarHBondContact O-N 2.97Å; G417-S420 VanDerWaalsContact O-CB 3.27Å; G417-S420 WeakPolarHBondContact O-CB 3.44Å; G417-S420 PolarHBondContact O-N 2.97Å; G417-N441 PolarHBondContact N-O 3.26Å |
| 418 | L | 65.9 | Low | 73.2 | Confident | 149 Ų | 149 | 81.1 Ų | 81.1 | 78% | 0.78 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 138.2 | -174.7 | -143.7 | 85.1 | 0 | 0 | 0 | 111.2 | S420 | L418-S420 PolarHBondContact O-N 2.94Å; L418-S420 VanDerWaalsContact O-N 3.15Å |
| 419 | L | 66.6 | Low | 73.3 | Confident | 148 Ų | 148 | 81.4 Ų | 81.4 | 78% | 0.775 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | -1.8 | -178.3 | -51.7 | 169.4 | 0 | 0 | 0 | 116.2 | G417 A434 | G417-L419 PolarHBondContact O-N 2.97Å; L419-A434 HydrophobicContact CB-CB 4.22Å |
| 420 | S | 72.9 | Confident | 73.5 | Confident | 20 Ų | 20 | 81.7 Ų | 81.7 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | trans | -89.3 | 156 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | G417 L418 A434 C442 | G417-S420 VanDerWaalsContact O-CB 3.27Å; G417-S420 WeakPolarHBondContact O-CB 3.44Å; G417-S420 PolarHBondContact O-N 2.97Å; L418-S420 PolarHBondContact O-N 2.94Å; L418-S420 VanDerWaalsContact O-N 3.15Å; S420-A434 PolarHBondContact OG-N 3.09Å; S420-C442 VanDerWaalsContact OG-CB 3.27Å; S420-C442 WeakPolarHBondContact OG-CB 3.3Å | ||
| 421 | I | 81.1 | Confident | 73.8 | Confident | 119 Ų | 119 | 80 Ų | 80 | 61% | 0.61 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.1 | -174.2 | -56.7 | 173.2 | 0 | 0 | 0 | 110 | F432 | I421-F432 HydrophobicContact CB-CB 4.28Å; I421-F432 PolarHBondContact N-O 2.03Å; I421-F432 PolarHBondContact O-N 3.07Å |
| 422 | C | 81.5 | Confident | 73.8 | Confident | 37 Ų | 37 | 84.5 Ų | 84.5 | 25% | 0.25 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 136.3 | 169.5 | -164.6 | 0 | 0 | 0 | 0 | 110.9 | C411 C416 | C411-C422 WeakPolarHBondContact CA-SG 3.44Å; C411-C422 HydrophobicContact CB-CB 3.73Å; C411-C422 WeakPolarHBondContact CB-SG 3.01Å; C411-C422 WeakPolarHBondContact SG-CB 3.16Å; C411-C422 CovalentContact SG-SG 2.04Å; C411-C422 PolarHBondContact SG-SG 2.97Å; C416-C422 HydrophobicContact CB-CB 4.39Å; C416-C422 VanDerWaalsContact SG-CA 3.56Å; C416-C422 WeakPolarHBondContact SG-CB 3.02Å; C416-C422 VanDerWaalsContact SG-SG 3.6Å |
| 423 | K | 80.2 | Confident | 73.8 | Confident | 126 Ų | 126 | 78.7 Ų | 78.7 | 55% | 0.548 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 120.9 | 169.7 | -170.5 | -175.5 | 178.4 | -177 | 0 | 110.5 | C411 N430 F432 | C411-K423 VanDerWaalsContact SG-C 3.54Å; C411-K423 PolarHBondContact SG-N 3.45Å; K423-N430 PolarHBondContact N-O 2.86Å; K423-N430 PolarHBondContact O-N 2.03Å; K423-F432 HydrophobicContact CB-CD2 4.04Å; K423-F432 HydrophobicContact CB-CE2 3.65Å; K423-F432 HydrophobicContact CD-CE2 3.73Å; K423-F432 HydrophobicContact CD-CZ 4.37Å; K423-F432 HydrophobicContact CG-CE2 4.33Å |
| 424 | D | 72.5 | Confident | 73.6 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 147.6 | 174 | -176.2 | 41.1 | 0 | 0 | 0 | 112.3 | N407 D410 C411 | N407-D424 PolarHBondContact ND2-OD1 2.79Å; N407-D424 PolarHBondContact ND2-OD2 3.44Å; D410-D424 PolarHBondContact N-OD1 3.45Å; C411-D424 PolarHBondContact SG-N 2.83Å; C411-D424 VanDerWaalsContact SG-N 3.42Å |
| 425 | S | 69.1 | Low | 73.4 | Confident | 44 Ų | 44 | 69.5 Ų | 69.5 | 31% | 0.308 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 162.2 | 176.7 | -65.1 | 0 | 0 | 0 | 0 | 110.3 | N407 N427 G428 | N407-S425 VanDerWaalsContact ND2-C 3.33Å; N407-S425 PolarHBondContact ND2-O 3.5Å; S425-N427 PolarHBondContact O-N 3.39Å; S425-G428 CarbonylContact C-O 3.45Å; S425-G428 VanDerWaalsContact C-O 3.3Å; S425-G428 VanDerWaalsContact CA-O 3.26Å; S425-G428 WeakPolarHBondContact CA-O 3.36Å; S425-G428 WeakPolarHBondContact CB-O 3.31Å; S425-G428 PolarHBondContact N-O 3.35Å; S425-G428 PolarHBondContact O-N 3.1Å |
| 426 | L | 64.4 | Low | 73 | Confident | 107 Ų | 107 | 68.6 Ų | 68.6 | 56% | 0.56 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 107.7 | -178.7 | -73 | 160.5 | 0 | 0 | 0 | 110.4 | L399 N407 | L399-L426 HydrophobicContact CD2-CD2 3.66Å; N407-L426 HydrophobicContact CB-CD2 4.4Å; N407-L426 WeakPolarHBondContact OD1-CA 3.06Å |
| 427 | N | 65.8 | Low | 72.8 | Confident | 99 Ų | 99 | 69.6 Ų | 69.6 | 53% | 0.529 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 49.5 | -175.4 | -169 | 44.5 | 0 | 0 | 0 | 115.2 | P397 G398 S425 | P397-N427 WeakPolarHBondContact CB-OD1 3.37Å; P397-N427 WeakPolarHBondContact O-CB 3.4Å; P397-N427 PolarHBondContact O-OD1 3.2Å; P397-N427 VanDerWaalsContact O-OD1 3.12Å; G398-N427 PolarHBondContact N-OD1 3.32Å; S425-N427 PolarHBondContact O-N 3.39Å |
| 428 | G | 68.6 | Low | 72.8 | Confident | 25 Ų | 25 | 73 Ų | 73 | 26% | 0.258 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.2 | 162.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | D410 S425 | D410-G428 WeakPolarHBondContact OD2-CA 3.38Å; D410-G428 PolarHBondContact OD2-N 2.99Å; S425-G428 CarbonylContact C-O 3.45Å; S425-G428 VanDerWaalsContact C-O 3.3Å; S425-G428 VanDerWaalsContact CA-O 3.26Å; S425-G428 WeakPolarHBondContact CA-O 3.36Å; S425-G428 WeakPolarHBondContact CB-O 3.31Å; S425-G428 PolarHBondContact N-O 3.35Å; S425-G428 PolarHBondContact O-N 3.1Å |
| 429 | Y | 77.1 | Confident | 72.8 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 32% | 0.318 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 157 | 173.4 | 59.5 | -80.7 | 0 | 0 | 0 | 111.8 | D410 P415 C431 N441 | D410-Y429 HydrophobicContact CB-CD1 3.9Å; D410-Y429 HydrophobicContact CB-CG 4.41Å; P415-Y429 HydrophobicContact CB-CD1 4.38Å; P415-Y429 HydrophobicContact CB-CD2 4.08Å; P415-Y429 HydrophobicContact CB-CE1 4Å; P415-Y429 HydrophobicContact CB-CE2 3.67Å; P415-Y429 HydrophobicContact CB-CG 4.42Å; P415-Y429 HydrophobicContact CG-CD1 4.1Å; P415-Y429 HydrophobicContact CG-CD2 3.69Å; P415-Y429 HydrophobicContact CG-CE1 4.23Å; P415-Y429 HydrophobicContact CG-CE2 3.83Å; P415-Y429 HydrophobicContact CG-CG 3.83Å; Y429-C431 VanDerWaalsContact CD2-SG 3.6Å; Y429-N441 PolarHBondContact OH-ND2 3.3Å; Y429-N441 PolarHBondContact OH-OD1 3.31Å; Y429-N441 VanDerWaalsContact OH-OD1 3.14Å |
| 430 | N | 76.9 | Confident | 73.1 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.6 | 165 | -101.7 | -57.5 | 0 | 0 | 0 | 109.8 | K423 F432 | K423-N430 PolarHBondContact N-O 2.86Å; K423-N430 PolarHBondContact O-N 2.03Å; N430-F432 HydrophobicContact CB-CE2 4.46Å |
| 431 | C | 82.8 | Confident | 73.3 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 12% | 0.122 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118.2 | 171.9 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | C416 Y429 C442 | C416-C431 WeakPolarHBondContact CA-SG 3.46Å; C416-C431 HydrophobicContact CB-CB 3.79Å; C416-C431 WeakPolarHBondContact CB-SG 3.36Å; C416-C431 WeakPolarHBondContact SG-CA 3.48Å; C416-C431 WeakPolarHBondContact SG-CB 3.43Å; C416-C431 CovalentContact SG-SG 2.03Å; C416-C431 PolarHBondContact SG-SG 3.27Å; Y429-C431 VanDerWaalsContact CD2-SG 3.6Å; C431-C442 WeakPolarHBondContact CB-SG 3.04Å |
| 432 | F | 79.3 | Confident | 73.1 | Confident | 113 Ų | 113 | 62.9 Ų | 62.9 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 104 | 166.2 | -65.8 | -83.7 | 0 | 0 | 0 | 108.2 | I421 K423 N430 | I421-F432 HydrophobicContact CB-CB 4.28Å; I421-F432 PolarHBondContact N-O 2.03Å; I421-F432 PolarHBondContact O-N 3.07Å; K423-F432 HydrophobicContact CB-CD2 4.04Å; K423-F432 HydrophobicContact CB-CE2 3.65Å; K423-F432 HydrophobicContact CD-CE2 3.73Å; K423-F432 HydrophobicContact CD-CZ 4.37Å; K423-F432 HydrophobicContact CG-CE2 4.33Å; N430-F432 HydrophobicContact CB-CE2 4.46Å |
| 433 | C | 77.8 | Confident | 72.7 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 32% | 0.324 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -65 | 141.7 | -175.1 | -53 | 0 | 0 | 0 | 0 | 111.9 | F437 C442 | C433-F437 HydrophobicContact CB-CB 4.2Å; C433-F437 WeakPolarHBondContact CB-O 3.08Å; C433-C442 WeakPolarHBondContact CA-SG 3.04Å; C433-C442 HydrophobicContact CB-CB 3.65Å; C433-C442 WeakPolarHBondContact CB-SG 3.03Å; C433-C442 PolarHBondContact N-SG 3.21Å; C433-C442 VanDerWaalsContact SG-CA 3.53Å; C433-C442 WeakPolarHBondContact SG-CB 3.31Å; C433-C442 CovalentContact SG-SG 2.03Å; C433-C442 PolarHBondContact SG-SG 2.68Å |
| 434 | A | 70.8 | Confident | 72.4 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 147.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L419 S420 G436 F437 | L419-A434 HydrophobicContact CB-CB 4.22Å; S420-A434 PolarHBondContact OG-N 3.09Å; A434-G436 PolarHBondContact O-N 3.27Å; A434-F437 HydrophobicContact CB-CD2 4.05Å; A434-F437 PolarHBondContact O-N 3.32Å; A434-F437 VanDerWaalsContact O-N 3.07Å |
| 435 | P | 66.6 | Low | 72.2 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | 135.8 | 167 | -25.6 | 35.3 | 0 | 0 | 0 | 110 | N465 | P435-N465 VanDerWaalsContact C-CG 3.48Å; P435-N465 WeakPolarHBondContact CA-OD1 3.25Å; P435-N465 HydrophobicContact CB-CB 4.22Å; P435-N465 WeakPolarHBondContact CB-OD1 3.46Å; P435-N465 WeakPolarHBondContact O-CB 3.44Å |
| 436 | G | 65.1 | Low | 72.3 | Confident | 8 Ų | 8 | 66 Ų | 66 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 2.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A434 V446 N465 | A434-G436 PolarHBondContact O-N 3.27Å; G436-V446 PolarHBondContact O-N 2.04Å; G436-N465 PolarHBondContact N-OD1 3.38Å |
| 437 | F | 75.3 | Confident | 72.7 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.2 | 178.2 | -67.4 | -95.2 | 0 | 0 | 0 | 112.5 | C433 A434 C442 I444 E445 L464 | C433-F437 HydrophobicContact CB-CB 4.2Å; C433-F437 WeakPolarHBondContact CB-O 3.08Å; A434-F437 HydrophobicContact CB-CD2 4.05Å; A434-F437 PolarHBondContact O-N 3.32Å; A434-F437 VanDerWaalsContact O-N 3.07Å; F437-C442 HydrophobicContact CB-CB 4.35Å; F437-I444 CarbonylContact C-O 3.54Å; F437-I444 WeakPolarHBondContact CA-O 3.27Å; F437-E445 HydrophobicContact CD1-CB 4.31Å; F437-E445 HydrophobicContact CE1-CB 4.01Å; F437-L464 HydrophobicContact CE2-CD2 3.87Å; F437-L464 HydrophobicContact CZ-CD2 3.62Å |
| 438 | I | 69.6 | Low | 73.3 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -178.3 | 177.3 | 60.4 | 171.5 | 0 | 0 | 0 | 110.7 | C442 E443 I444 V446 | I438-C442 CarbonylContact O-C 3.49Å; I438-C442 VanDerWaalsContact O-CA 3.29Å; I438-C442 WeakPolarHBondContact O-CA 2.98Å; I438-E443 PolarHBondContact O-N 3.17Å; I438-I444 HydrophobicContact CG1-CB 4.09Å; I438-I444 HydrophobicContact CG1-CG2 4.26Å; I438-I444 PolarHBondContact N-O 3.23Å; I438-I444 WeakPolarHBondContact O-CB 3.48Å; I438-I444 PolarHBondContact O-N 3.33Å; I438-I444 VanDerWaalsContact O-O 3.09Å; I438-V446 HydrophobicContact CB-CG2 4.09Å; I438-V446 HydrophobicContact CD1-CG2 4.03Å; I438-V446 HydrophobicContact CG1-CG2 3.72Å; I438-V446 HydrophobicContact CG2-CG2 3.49Å; I438-V446 VanDerWaalsContact CG2-CG2 3.49Å |
| 439 | G | 65.9 | Low | 73.7 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 98.3 | 159.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | N441 C442 E443 | G439-N441 PolarHBondContact O-N 3.03Å; G439-C442 PolarHBondContact O-N 3.12Å; G439-C442 VanDerWaalsContact O-N 3.11Å; G439-E443 VanDerWaalsContact C-OE2 3.3Å; G439-E443 WeakPolarHBondContact CA-OE2 3.12Å |
| 440 | N | 72.4 | Confident | 73.6 | Confident | 147 Ų | 147 | 63.7 Ų | 63.7 | 79% | 0.786 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.7 | -175.8 | -67.2 | -20.7 | 0 | 0 | 0 | 111.9 | E443 | N440-E443 PolarHBondContact N-OE2 2.68Š|
| 441 | N | 77.3 | Confident | 73.3 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 12.3 | 177.8 | -70.6 | 35.8 | 0 | 0 | 0 | 111.2 | P415 C416 G417 Y429 G439 E443 | P415-N441 WeakPolarHBondContact O-CB 3.46Å; P415-N441 PolarHBondContact O-ND2 3.49Å; C416-N441 CarbonylContact C-O 3.28Å; C416-N441 WeakPolarHBondContact CA-O 3.41Å; G417-N441 PolarHBondContact N-O 3.26Å; Y429-N441 PolarHBondContact OH-ND2 3.3Å; Y429-N441 PolarHBondContact OH-OD1 3.31Å; Y429-N441 VanDerWaalsContact OH-OD1 3.14Å; G439-N441 PolarHBondContact O-N 3.03Å; N441-E443 VanDerWaalsContact C-OE2 3.23Å; N441-E443 VanDerWaalsContact CA-OE2 3.27Å; N441-E443 WeakPolarHBondContact CA-OE2 3.18Å; N441-E443 HydrophobicContact CB-CB 4.39Å; N441-E443 WeakPolarHBondContact CB-OE2 3.43Å; N441-E443 PolarHBondContact N-OE2 3.17Å; N441-E443 PolarHBondContact O-N 3.09Å |
| 442 | C | 76.3 | Confident | 72.9 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | S | Bend | trans | 55.3 | 32.2 | -174.1 | -46.8 | 0 | 0 | 0 | 0 | 113.2 | S420 C431 C433 F437 I438 G439 | S420-C442 VanDerWaalsContact OG-CB 3.27Å; S420-C442 WeakPolarHBondContact OG-CB 3.3Å; C431-C442 WeakPolarHBondContact CB-SG 3.04Å; C433-C442 WeakPolarHBondContact CA-SG 3.04Å; C433-C442 HydrophobicContact CB-CB 3.65Å; C433-C442 WeakPolarHBondContact CB-SG 3.03Å; C433-C442 PolarHBondContact N-SG 3.21Å; C433-C442 VanDerWaalsContact SG-CA 3.53Å; C433-C442 WeakPolarHBondContact SG-CB 3.31Å; C433-C442 CovalentContact SG-SG 2.03Å; C433-C442 PolarHBondContact SG-SG 2.68Å; F437-C442 HydrophobicContact CB-CB 4.35Å; I438-C442 CarbonylContact O-C 3.49Å; I438-C442 VanDerWaalsContact O-CA 3.29Å; I438-C442 WeakPolarHBondContact O-CA 2.98Å; G439-C442 PolarHBondContact O-N 3.12Å; G439-C442 VanDerWaalsContact O-N 3.11Å |
| 443 | E | 74.2 | Confident | 72.6 | Confident | 113 Ų | 113 | 68.9 Ų | 68.9 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | trans | -86.8 | -8 | -173.4 | 74.9 | -78.1 | -164.9 | 0 | 0 | 113.7 | I438 G439 N440 N441 | I438-E443 PolarHBondContact O-N 3.17Å; G439-E443 VanDerWaalsContact C-OE2 3.3Å; G439-E443 WeakPolarHBondContact CA-OE2 3.12Å; N440-E443 PolarHBondContact N-OE2 2.68Å; N441-E443 VanDerWaalsContact C-OE2 3.23Å; N441-E443 VanDerWaalsContact CA-OE2 3.27Å; N441-E443 WeakPolarHBondContact CA-OE2 3.18Å; N441-E443 HydrophobicContact CB-CB 4.39Å; N441-E443 WeakPolarHBondContact CB-OE2 3.43Å; N441-E443 PolarHBondContact N-OE2 3.17Å; N441-E443 PolarHBondContact O-N 3.09Å | ||
| 444 | I | 72.9 | Confident | 72.7 | Confident | 85 Ų | 85 | 67.3 Ų | 67.3 | 44% | 0.436 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.5 | -175.8 | -46.9 | 178.6 | 0 | 0 | 0 | 107.8 | F437 I438 | F437-I444 CarbonylContact C-O 3.54Å; F437-I444 WeakPolarHBondContact CA-O 3.27Å; I438-I444 HydrophobicContact CG1-CB 4.09Å; I438-I444 HydrophobicContact CG1-CG2 4.26Å; I438-I444 PolarHBondContact N-O 3.23Å; I438-I444 WeakPolarHBondContact O-CB 3.48Å; I438-I444 PolarHBondContact O-N 3.33Å; I438-I444 VanDerWaalsContact O-O 3.09Å |
| 445 | E | 67.7 | Low | 72.9 | Confident | 88 Ų | 88 | 72 Ų | 72 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 135.4 | 163.9 | 177.8 | -170.6 | -125.9 | 0 | 0 | 109.2 | F437 N447 L464 | F437-E445 HydrophobicContact CD1-CB 4.31Å; F437-E445 HydrophobicContact CE1-CB 4.01Å; E445-N447 PolarHBondContact O-N 3.04Å; E445-L464 WeakPolarHBondContact OE1-CD2 3.37Å |
| 446 | V | 71.9 | Confident | 72.9 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | trans | -73.8 | 112.4 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | G436 I438 E448 | G436-V446 PolarHBondContact O-N 2.04Å; I438-V446 HydrophobicContact CB-CG2 4.09Å; I438-V446 HydrophobicContact CD1-CG2 4.03Å; I438-V446 HydrophobicContact CG1-CG2 3.72Å; I438-V446 HydrophobicContact CG2-CG2 3.49Å; I438-V446 VanDerWaalsContact CG2-CG2 3.49Å; V446-E448 HydrophobicContact CG1-CG 4.04Å; V446-E448 PolarHBondContact O-N 3.5Å; V446-E448 VanDerWaalsContact O-N 3.09Å | ||
| 447 | N | 72 | Confident | 73.2 | Confident | 62 Ų | 62 | 73 Ų | 73 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | trans | -77.2 | 92.8 | 165.4 | -175.5 | -84.4 | 0 | 0 | 0 | 108.4 | E445 C449 L450 D462 | E445-N447 PolarHBondContact O-N 3.04Å; N447-C449 PolarHBondContact O-N 3.43Å; N447-C449 WeakPolarHBondContact OD1-CB 3.39Å; N447-C449 PolarHBondContact OD1-N 3.38Å; N447-L450 HydrophobicContact CB-CD1 4.14Å; N447-L450 HydrophobicContact CB-CG 4.1Å; N447-L450 WeakPolarHBondContact O-CB 3.19Å; N447-L450 PolarHBondContact O-N 2.81Å; N447-L450 VanDerWaalsContact O-N 3.12Å; N447-L450 WeakPolarHBondContact OD1-CG 3.47Å; N447-L450 PolarHBondContact OD1-N 2.67Å; N447-D462 WeakPolarHBondContact CA-OD1 3.47Å; N447-D462 VanDerWaalsContact CA-OD2 3.3Å; N447-D462 WeakPolarHBondContact CA-OD2 3.47Å; N447-D462 WeakPolarHBondContact CB-OD2 3.32Å; N447-D462 VanDerWaalsContact CG-CG 3.47Å; N447-D462 VanDerWaalsContact CG-OD1 3.23Å; N447-D462 VanDerWaalsContact CG-OD2 3.25Å; N447-D462 PolarHBondContact ND2-OD1 2.82Å; N447-D462 PolarHBondContact ND2-OD2 2.84Å | ||
| 448 | E | 79.7 | Confident | 73.3 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -59.6 | -26.5 | -179.7 | -77 | 90.8 | -163.8 | 0 | 0 | 111.7 | V446 L450 S451 D462 S466 F467 | V446-E448 HydrophobicContact CG1-CG 4.04Å; V446-E448 PolarHBondContact O-N 3.5Å; V446-E448 VanDerWaalsContact O-N 3.09Å; E448-L450 VanDerWaalsContact C-N 3.25Å; E448-L450 PolarHBondContact O-N 3.41Å; E448-S451 WeakPolarHBondContact O-CB 3.32Å; E448-S451 PolarHBondContact O-N 3.29Å; E448-S451 VanDerWaalsContact O-N 3.17Å; E448-S451 PolarHBondContact O-OG 2.89Å; E448-D462 PolarHBondContact N-OD1 3.36Å; E448-S466 PolarHBondContact OE2-N 2.86Å; E448-F467 HydrophobicContact CB-CB 4.17Å; E448-F467 HydrophobicContact CB-CD1 3.7Å; E448-F467 HydrophobicContact CB-CG 4.31Å; E448-F467 HydrophobicContact CG-CD1 4.41Å |
| 449 | C | 76.8 | Confident | 74 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 14% | 0.135 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -64 | -19.1 | 176 | -71.7 | 0 | 0 | 0 | 0 | 115.7 | N447 S451 R452 C460 D462 | N447-C449 PolarHBondContact O-N 3.43Å; N447-C449 WeakPolarHBondContact OD1-CB 3.39Å; N447-C449 PolarHBondContact OD1-N 3.38Å; C449-S451 PolarHBondContact O-N 3.49Å; C449-R452 PolarHBondContact O-N 2.92Å; C449-C460 WeakPolarHBondContact CA-SG 3.45Å; C449-C460 HydrophobicContact CB-CB 3.61Å; C449-C460 WeakPolarHBondContact CB-SG 3.29Å; C449-C460 WeakPolarHBondContact SG-CB 3.46Å; C449-C460 CovalentContact SG-SG 2.03Å; C449-C460 PolarHBondContact SG-SG 3.2Å; C449-D462 PolarHBondContact N-OD1 3.06Å |
| 450 | L | 74.6 | Confident | 74.8 | Confident | 146 Ų | 146 | 71.3 Ų | 71.3 | 76% | 0.764 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -62.8 | -22.5 | 172.9 | -74.5 | 175.6 | 0 | 0 | 0 | 113 | N447 E448 R452 | N447-L450 HydrophobicContact CB-CD1 4.14Å; N447-L450 HydrophobicContact CB-CG 4.1Å; N447-L450 WeakPolarHBondContact O-CB 3.19Å; N447-L450 PolarHBondContact O-N 2.81Å; N447-L450 VanDerWaalsContact O-N 3.12Å; N447-L450 WeakPolarHBondContact OD1-CG 3.47Å; N447-L450 PolarHBondContact OD1-N 2.67Å; E448-L450 VanDerWaalsContact C-N 3.25Å; E448-L450 PolarHBondContact O-N 3.41Å; L450-R452 PolarHBondContact O-N 3.24Å |
| 451 | S | 71.4 | Confident | 75.3 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 62% | 0.622 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -72.1 | -8.5 | 174.1 | 67.6 | 0 | 0 | 0 | 0 | 113.7 | E448 C449 P453 | E448-S451 WeakPolarHBondContact O-CB 3.32Å; E448-S451 PolarHBondContact O-N 3.29Å; E448-S451 VanDerWaalsContact O-N 3.17Å; E448-S451 PolarHBondContact O-OG 2.89Å; C449-S451 PolarHBondContact O-N 3.49Å; S451-P453 WeakPolarHBondContact OG-CD 3.27Å |
| 452 | R | 72.8 | Confident | 75.3 | Confident | 217 Ų | 217 | 68.1 Ų | 68.1 | 82% | 0.819 | 37% | 0.374 | S | S | * | . | trans | 53.8 | 53 | -172.6 | -49.8 | -176.9 | 73 | -171 | 1.6 | 112.7 | C449 L450 C454 | C449-R452 PolarHBondContact O-N 2.92Å; L450-R452 PolarHBondContact O-N 3.24Å; R452-C454 PolarHBondContact O-N 3.18Å | ||
| 453 | P | 74.6 | Confident | 75.3 | Confident | 29 Ų | 29 | 72.5 Ų | 72.5 | 19% | 0.188 | 39% | 0.394 | C | S | . | . | trans | -81.3 | -13.1 | -169.1 | 36.1 | -37.7 | 0 | 0 | 0 | 114.1 | S451 F467 | S451-P453 WeakPolarHBondContact OG-CD 3.27Å; P453-F467 HydrophobicContact CB-CD2 4.16Å; P453-F467 HydrophobicContact CB-CE1 4.08Å; P453-F467 HydrophobicContact CB-CE2 3.43Å; P453-F467 VanDerWaalsContact CB-CE2 3.43Å; P453-F467 HydrophobicContact CB-CZ 3.38Å; P453-F467 HydrophobicContact CG-CD1 4.15Å; P453-F467 HydrophobicContact CG-CD2 3.43Å; P453-F467 VanDerWaalsContact CG-CD2 3.43Å; P453-F467 HydrophobicContact CG-CE1 4Å; P453-F467 HydrophobicContact CG-CE2 3.24Å; P453-F467 HydrophobicContact CG-CG 3.88Å; P453-F467 HydrophobicContact CG-CZ 3.55Å | ||
| 454 | C | 78.4 | Confident | 75.2 | Confident | 15 Ų | 15 | 73 Ų | 73 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | trans | -83.7 | 116.4 | 172.7 | -52.2 | 0 | 0 | 0 | 0 | 109.3 | R452 C460 C469 | R452-C454 PolarHBondContact O-N 3.18Å; C454-C460 HydrophobicContact CB-CB 4.36Å; C454-C460 WeakPolarHBondContact SG-CA 3.4Å; C454-C460 WeakPolarHBondContact SG-CB 3.47Å; C454-C460 VanDerWaalsContact SG-SG 3.68Å; C454-C469 WeakPolarHBondContact CA-SG 3.49Å; C454-C469 HydrophobicContact CB-CB 3.76Å; C454-C469 WeakPolarHBondContact CB-SG 3.38Å; C454-C469 WeakPolarHBondContact SG-CA 3.29Å; C454-C469 WeakPolarHBondContact SG-CB 3.44Å; C454-C469 CovalentContact SG-SG 2.03Å; C454-C469 PolarHBondContact SG-SG 2.03Å | ||
| 455 | E | 76.2 | Confident | 74.9 | Confident | 115 Ų | 115 | 73 Ų | 73 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | trans | -76.1 | 173.5 | 177.9 | -59.9 | -159.9 | 167.1 | 0 | 0 | 111.1 | G457 G458 F479 | E455-G457 PolarHBondContact O-N 2.72Å; E455-G458 PolarHBondContact O-N 3.48Å; E455-F479 PolarHBondContact N-O 3.03Å | ||
| 456 | N | 67 | Low | 74.9 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 31% | 0.305 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 39.9 | 168 | -52.7 | -47.1 | 0 | 0 | 0 | 113.6 | G458 I475 C480 L502 H503 | N456-G458 PolarHBondContact O-N 2.79Å; N456-G458 VanDerWaalsContact O-N 3.16Å; N456-I475 HydrophobicContact CB-CD1 4.02Å; N456-C480 PolarHBondContact ND2-O 3.37Å; N456-L502 HydrophobicContact CB-CD2 4.03Å; N456-L502 WeakPolarHBondContact ND2-CD2 3.35Å; N456-L502 VanDerWaalsContact OD1-CD2 3.28Å; N456-L502 WeakPolarHBondContact OD1-CD2 3.02Å; N456-H503 WeakPolarHBondContact CB-NE2 3.02Å; N456-H503 PolarHBondContact O-CE1 2.04Å; N456-H503 PolarHBondContact O-NE2 3.12Å |
| 457 | G | 70.4 | Confident | 75.3 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 69% | 0.691 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 16.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E455 | E455-G457 PolarHBondContact O-N 2.72Š|
| 458 | G | 77.3 | Confident | 75.6 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 13% | 0.134 | 40% | 0.401 | C | S | . | . | trans | -55.1 | 136.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E455 N456 C460 | E455-G458 PolarHBondContact O-N 3.48Å; N456-G458 PolarHBondContact O-N 2.79Å; N456-G458 VanDerWaalsContact O-N 3.16Å; G458-C460 PolarHBondContact O-N 2.82Å | ||
| 459 | S | 83.8 | Confident | 75.7 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 52% | 0.524 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 109.7 | 173.9 | -98.8 | 0 | 0 | 0 | 0 | 109.1 | I461 D470 | S459-I461 PolarHBondContact O-N 3.3Å; S459-D470 PolarHBondContact N-O 2.82Å; S459-D470 PolarHBondContact O-N 2.85Å |
| 460 | C | 82.9 | Confident | 76 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.9 | 175.3 | -166.5 | 0 | 0 | 0 | 0 | 111 | C449 C454 G458 | C449-C460 WeakPolarHBondContact CA-SG 3.45Å; C449-C460 HydrophobicContact CB-CB 3.61Å; C449-C460 WeakPolarHBondContact CB-SG 3.29Å; C449-C460 WeakPolarHBondContact SG-CB 3.46Å; C449-C460 CovalentContact SG-SG 2.03Å; C449-C460 PolarHBondContact SG-SG 3.2Å; C454-C460 HydrophobicContact CB-CB 4.36Å; C454-C460 WeakPolarHBondContact SG-CA 3.4Å; C454-C460 WeakPolarHBondContact SG-CB 3.47Å; C454-C460 VanDerWaalsContact SG-SG 3.68Å; G458-C460 PolarHBondContact O-N 2.82Å |
| 461 | I | 82.8 | Confident | 76.2 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 44% | 0.436 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.2 | 173.5 | -56.4 | 175.9 | 0 | 0 | 0 | 107.7 | S459 F467 S468 D470 | S459-I461 PolarHBondContact O-N 3.3Å; I461-F467 WeakPolarHBondContact O-CA 3.46Å; I461-S468 WeakPolarHBondContact CB-O 3.02Å; I461-S468 PolarHBondContact N-O 3.02Å; I461-S468 PolarHBondContact O-N 3.23Å; I461-D470 HydrophobicContact CD1-CB 3.98Å; I461-D470 HydrophobicContact CG1-CB 4.49Å |
| 462 | D | 77.8 | Confident | 76.1 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 131.6 | -179.4 | -141.3 | 48.9 | 0 | 0 | 0 | 110.1 | N447 E448 C449 | N447-D462 WeakPolarHBondContact CA-OD1 3.47Å; N447-D462 VanDerWaalsContact CA-OD2 3.3Å; N447-D462 WeakPolarHBondContact CA-OD2 3.47Å; N447-D462 WeakPolarHBondContact CB-OD2 3.32Å; N447-D462 VanDerWaalsContact CG-CG 3.47Å; N447-D462 VanDerWaalsContact CG-OD1 3.23Å; N447-D462 VanDerWaalsContact CG-OD2 3.25Å; N447-D462 PolarHBondContact ND2-OD1 2.82Å; N447-D462 PolarHBondContact ND2-OD2 2.84Å; E448-D462 PolarHBondContact N-OD1 3.36Å; C449-D462 PolarHBondContact N-OD1 3.06Å |
| 463 | E | 76.8 | Confident | 75.8 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 165.5 | 174.4 | -59.4 | -171.5 | 177.6 | 0 | 0 | 109.5 | N465 S466 S468 | E463-N465 PolarHBondContact O-N 2.88Å; E463-S466 CarbonylContact C-O 3.56Å; E463-S466 VanDerWaalsContact CA-O 3.26Å; E463-S466 WeakPolarHBondContact CA-O 3.04Å; E463-S466 WeakPolarHBondContact CB-O 3.4Å; E463-S466 PolarHBondContact N-O 2.03Å; E463-S466 PolarHBondContact O-N 3.46Å; E463-S468 WeakPolarHBondContact OE1-CB 3.44Å |
| 464 | L | 71.6 | Confident | 75.2 | Confident | 123 Ų | 123 | 60.4 Ų | 60.4 | 64% | 0.644 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 110 | -177.9 | -78.8 | 157.8 | 0 | 0 | 0 | 110.9 | F437 E445 S466 | F437-L464 HydrophobicContact CE2-CD2 3.87Å; F437-L464 HydrophobicContact CZ-CD2 3.62Å; E445-L464 WeakPolarHBondContact OE1-CD2 3.37Å; L464-S466 VanDerWaalsContact C-N 3.26Å; L464-S466 PolarHBondContact O-N 2.87Å |
| 465 | N | 66.3 | Low | 74.9 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 29.8 | -176.5 | -176.2 | 71.5 | 0 | 0 | 0 | 113.4 | P435 G436 E463 | P435-N465 VanDerWaalsContact C-CG 3.48Å; P435-N465 WeakPolarHBondContact CA-OD1 3.25Å; P435-N465 HydrophobicContact CB-CB 4.22Å; P435-N465 WeakPolarHBondContact CB-OD1 3.46Å; P435-N465 WeakPolarHBondContact O-CB 3.44Å; G436-N465 PolarHBondContact N-OD1 3.38Å; E463-N465 PolarHBondContact O-N 2.88Å |
| 466 | S | 68.1 | Low | 74.7 | Confident | 56 Ų | 56 | 58 Ų | 58 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 162.6 | -178.4 | -168.7 | 0 | 0 | 0 | 0 | 109 | E448 E463 L464 | E448-S466 PolarHBondContact OE2-N 2.86Å; E463-S466 CarbonylContact C-O 3.56Å; E463-S466 VanDerWaalsContact CA-O 3.26Å; E463-S466 WeakPolarHBondContact CA-O 3.04Å; E463-S466 WeakPolarHBondContact CB-O 3.4Å; E463-S466 PolarHBondContact N-O 2.03Å; E463-S466 PolarHBondContact O-N 3.46Å; L464-S466 VanDerWaalsContact C-N 3.26Å; L464-S466 PolarHBondContact O-N 2.87Å |
| 467 | F | 79.6 | Confident | 74.7 | Confident | 51 Ų | 51 | 56.5 Ų | 56.5 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 158.8 | 167 | 61.5 | -84.5 | 0 | 0 | 0 | 109.5 | E448 P453 I461 F479 | E448-F467 HydrophobicContact CB-CB 4.17Å; E448-F467 HydrophobicContact CB-CD1 3.7Å; E448-F467 HydrophobicContact CB-CG 4.31Å; E448-F467 HydrophobicContact CG-CD1 4.41Å; P453-F467 HydrophobicContact CB-CD2 4.16Å; P453-F467 HydrophobicContact CB-CE1 4.08Å; P453-F467 HydrophobicContact CB-CE2 3.43Å; P453-F467 VanDerWaalsContact CB-CE2 3.43Å; P453-F467 HydrophobicContact CB-CZ 3.38Å; P453-F467 HydrophobicContact CG-CD1 4.15Å; P453-F467 HydrophobicContact CG-CD2 3.43Å; P453-F467 VanDerWaalsContact CG-CD2 3.43Å; P453-F467 HydrophobicContact CG-CE1 4Å; P453-F467 HydrophobicContact CG-CE2 3.24Å; P453-F467 HydrophobicContact CG-CG 3.88Å; P453-F467 HydrophobicContact CG-CZ 3.55Å; I461-F467 WeakPolarHBondContact O-CA 3.46Å; F467-F479 AromaticContact CE2-CD1 3.67Å; F467-F479 HydrophobicContact CE2-CD1 3.67Å; F467-F479 AromaticContact CE2-CE1 3.72Å; F467-F479 HydrophobicContact CE2-CE1 3.72Å; F467-F479 AromaticContact CZ-CD1 3.82Å; F467-F479 HydrophobicContact CZ-CD1 3.82Å; F467-F479 AromaticContact CZ-CE1 3.46Å; F467-F479 HydrophobicContact CZ-CE1 3.46Å; F467-F479 VanDerWaalsContact CZ-CE1 3.46Å |
| 468 | S | 77.8 | Confident | 74.9 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.3 | -179.4 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | I461 E463 | I461-S468 WeakPolarHBondContact CB-O 3.02Å; I461-S468 PolarHBondContact N-O 3.02Å; I461-S468 PolarHBondContact O-N 3.23Å; E463-S468 WeakPolarHBondContact OE1-CB 3.44Å |
| 469 | C | 82.9 | Confident | 75 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 12% | 0.122 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 114.1 | -178.3 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | C454 C471 N478 C480 | C454-C469 WeakPolarHBondContact CA-SG 3.49Å; C454-C469 HydrophobicContact CB-CB 3.76Å; C454-C469 WeakPolarHBondContact CB-SG 3.38Å; C454-C469 WeakPolarHBondContact SG-CA 3.29Å; C454-C469 WeakPolarHBondContact SG-CB 3.44Å; C454-C469 CovalentContact SG-SG 2.03Å; C454-C469 PolarHBondContact SG-SG 2.03Å; C469-C471 PolarHBondContact O-N 3.46Å; C469-N478 PolarHBondContact SG-O 3.32Å; C469-C480 VanDerWaalsContact CB-SG 3.54Å |
| 470 | D | 81.9 | Confident | 74.6 | Confident | 104 Ų | 104 | 60 Ų | 60 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 98 | 168.6 | -173.6 | 29.4 | 0 | 0 | 0 | 108.7 | S459 I461 P472 | S459-D470 PolarHBondContact N-O 2.82Å; S459-D470 PolarHBondContact O-N 2.85Å; I461-D470 HydrophobicContact CD1-CB 3.98Å; I461-D470 HydrophobicContact CG1-CB 4.49Å; D470-P472 WeakPolarHBondContact O-CD 3.21Å |
| 471 | C | 79.2 | Confident | 74 | Confident | 33 Ų | 33 | 62.1 Ų | 62.1 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | trans | -80 | 129.3 | -174.3 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | C469 I475 C480 | C469-C471 PolarHBondContact O-N 3.46Å; C471-I475 HydrophobicContact CB-CD1 4.26Å; C471-I475 HydrophobicContact CB-CG1 4.15Å; C471-C480 WeakPolarHBondContact CA-SG 3.37Å; C471-C480 HydrophobicContact CB-CB 3.94Å; C471-C480 WeakPolarHBondContact CB-SG 3.36Å; C471-C480 WeakPolarHBondContact SG-CA 2.99Å; C471-C480 WeakPolarHBondContact SG-CB 3.02Å; C471-C480 CovalentContact SG-SG 2.04Å; C471-C480 PolarHBondContact SG-SG 2.84Å | ||
| 472 | P | 70.9 | Confident | 73.2 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 28% | 0.279 | 36% | 0.355 | S | S | . | . | trans | -45.7 | 153.8 | 164.6 | -31.2 | 32 | 0 | 0 | 0 | 113.8 | D470 G474 I475 | D470-P472 WeakPolarHBondContact O-CD 3.21Å; P472-G474 PolarHBondContact O-N 3.22Å; P472-I475 HydrophobicContact CB-CD1 3.98Å; P472-I475 HydrophobicContact CB-CG1 4.18Å; P472-I475 HydrophobicContact CG-CD1 3.95Å; P472-I475 WeakPolarHBondContact O-CG1 3.45Å; P472-I475 PolarHBondContact O-N 3.17Å | ||
| 473 | A | 65.9 | Low | 72.3 | Confident | 94 Ų | 94 | 61 Ų | 61 | 78% | 0.777 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 131.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | H503 | A473-H503 CarbonylContact O-C 3.58Å; A473-H503 WeakPolarHBondContact O-CA 3.3Å; A473-H503 WeakPolarHBondContact O-CB 3.5Å |
| 474 | G | 62.4 | Low | 71.7 | Confident | 9 Ų | 9 | 60 Ų | 60 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -1.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | P472 N483 I484 E486 | P472-G474 PolarHBondContact O-N 3.22Å; G474-N483 PolarHBondContact O-OD1 2.95Å; G474-I484 WeakPolarHBondContact O-CB 3.47Å; G474-I484 PolarHBondContact O-N 2.76Å; G474-E486 WeakPolarHBondContact CA-OE1 3.39Å |
| 475 | I | 71.6 | Confident | 71.4 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.046 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.9 | 169.4 | 38 | 165.2 | 0 | 0 | 0 | 110.8 | N456 C471 P472 C480 H503 | N456-I475 HydrophobicContact CB-CD1 4.02Å; C471-I475 HydrophobicContact CB-CD1 4.26Å; C471-I475 HydrophobicContact CB-CG1 4.15Å; P472-I475 HydrophobicContact CB-CD1 3.98Å; P472-I475 HydrophobicContact CB-CG1 4.18Å; P472-I475 HydrophobicContact CG-CD1 3.95Å; P472-I475 WeakPolarHBondContact O-CG1 3.45Å; P472-I475 PolarHBondContact O-N 3.17Å; I475-C480 HydrophobicContact CD1-CB 3.79Å; I475-H503 VanDerWaalsContact CD1-CD2 3.45Å; I475-H503 WeakPolarHBondContact CD1-CD2 3.39Å; I475-H503 VanDerWaalsContact CD1-NE2 3.26Å; I475-H503 WeakPolarHBondContact CD1-NE2 3.02Å |
| 476 | T | 71.3 | Confident | 71.6 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | -171.6 | -178.1 | -162.9 | 0 | 0 | 0 | 0 | 109.5 | C480 E481 V482 I484 | T476-C480 CarbonylContact O-C 3.28Å; T476-C480 WeakPolarHBondContact O-CA 3.16Å; T476-E481 PolarHBondContact O-N 2.89Å; T476-V482 CarbonylContact C-O 3.49Å; T476-V482 HydrophobicContact CG2-CB 3.86Å; T476-V482 HydrophobicContact CG2-CG1 3.86Å; T476-V482 PolarHBondContact N-O 3.04Å; T476-V482 WeakPolarHBondContact O-CB 3.43Å; T476-V482 PolarHBondContact O-N 3.39Å; T476-V482 VanDerWaalsContact O-O 3.08Å; T476-I484 HydrophobicContact CG2-CD1 4.4Å; T476-I484 HydrophobicContact CG2-CG1 3.72Å |
| 477 | G | 68.3 | Low | 71.8 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 88.7 | 168 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F479 E481 | G477-F479 VanDerWaalsContact C-N 3.32Å; G477-E481 WeakPolarHBondContact CA-OE2 3.47Å |
| 478 | N | 73.4 | Confident | 71.4 | Confident | 131 Ų | 131 | 57.8 Ų | 57.8 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -19.1 | -170.2 | -68.1 | -14 | 0 | 0 | 0 | 112.9 | C469 E481 | C469-N478 PolarHBondContact SG-O 3.32Å; N478-E481 PolarHBondContact N-OE1 2.94Å; N478-E481 PolarHBondContact N-OE2 2.83Å |
| 479 | F | 80.4 | Confident | 71 | Confident | 99 Ų | 99 | 59.5 Ų | 59.5 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 11.5 | 178.4 | -51.2 | -52.1 | 0 | 0 | 0 | 111.9 | E455 F467 G477 E481 | E455-F479 PolarHBondContact N-O 3.03Å; F467-F479 AromaticContact CE2-CD1 3.67Å; F467-F479 HydrophobicContact CE2-CD1 3.67Å; F467-F479 AromaticContact CE2-CE1 3.72Å; F467-F479 HydrophobicContact CE2-CE1 3.72Å; F467-F479 AromaticContact CZ-CD1 3.82Å; F467-F479 HydrophobicContact CZ-CD1 3.82Å; F467-F479 AromaticContact CZ-CE1 3.46Å; F467-F479 HydrophobicContact CZ-CE1 3.46Å; F467-F479 VanDerWaalsContact CZ-CE1 3.46Å; G477-F479 VanDerWaalsContact C-N 3.32Å; F479-E481 WeakPolarHBondContact CA-OE2 3.02Å; F479-E481 HydrophobicContact CB-CB 4.49Å; F479-E481 PolarHBondContact N-OE2 2.84Å; F479-E481 PolarHBondContact O-N 2.58Å |
| 480 | C | 73.6 | Confident | 70.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 60.6 | 31.3 | -170.2 | -49 | 0 | 0 | 0 | 0 | 114.1 | N456 C469 C471 I475 T476 | N456-C480 PolarHBondContact ND2-O 3.37Å; C469-C480 VanDerWaalsContact CB-SG 3.54Å; C471-C480 WeakPolarHBondContact CA-SG 3.37Å; C471-C480 HydrophobicContact CB-CB 3.94Å; C471-C480 WeakPolarHBondContact CB-SG 3.36Å; C471-C480 WeakPolarHBondContact SG-CA 2.99Å; C471-C480 WeakPolarHBondContact SG-CB 3.02Å; C471-C480 CovalentContact SG-SG 2.04Å; C471-C480 PolarHBondContact SG-SG 2.84Å; I475-C480 HydrophobicContact CD1-CB 3.79Å; T476-C480 CarbonylContact O-C 3.28Å; T476-C480 WeakPolarHBondContact O-CA 3.16Å |
| 481 | E | 70.9 | Confident | 70 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | trans | -86.4 | -21.1 | -175.4 | 76.8 | -73.1 | -173 | 0 | 0 | 113.7 | T476 G477 N478 F479 | T476-E481 PolarHBondContact O-N 2.89Å; G477-E481 WeakPolarHBondContact CA-OE2 3.47Å; N478-E481 PolarHBondContact N-OE1 2.94Å; N478-E481 PolarHBondContact N-OE2 2.83Å; F479-E481 WeakPolarHBondContact CA-OE2 3.02Å; F479-E481 HydrophobicContact CB-CB 4.49Å; F479-E481 PolarHBondContact N-OE2 2.84Å; F479-E481 PolarHBondContact O-N 2.58Å | ||
| 482 | V | 66 | Low | 70 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 42% | 0.418 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 115.6 | -175.6 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | T476 | T476-V482 CarbonylContact C-O 3.49Å; T476-V482 HydrophobicContact CG2-CB 3.86Å; T476-V482 HydrophobicContact CG2-CG1 3.86Å; T476-V482 PolarHBondContact N-O 3.04Å; T476-V482 WeakPolarHBondContact O-CB 3.43Å; T476-V482 PolarHBondContact O-N 3.39Å; T476-V482 VanDerWaalsContact O-O 3.08Å |
| 483 | N | 58.4 | Low | 70.1 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 19% | 0.193 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 140.6 | 171.2 | -156.3 | 35.9 | 0 | 0 | 0 | 111.3 | G474 D485 D500 L501 L502 H503 | G474-N483 PolarHBondContact O-OD1 2.95Å; N483-D485 PolarHBondContact O-N 2.91Å; N483-D500 PolarHBondContact ND2-OD1 2.86Å; N483-D500 PolarHBondContact ND2-OD2 3.46Å; N483-L501 PolarHBondContact ND2-O 3.37Å; N483-L501 PolarHBondContact OD1-O 3.27Å; N483-L502 HydrophobicContact CB-CG 4.47Å; N483-L502 VanDerWaalsContact OD1-CA 3.31Å; N483-L502 WeakPolarHBondContact OD1-CA 3.43Å; N483-H503 PolarHBondContact OD1-N 2.97Å |
| 484 | I | 65.3 | Low | 70.1 | Confident | 71 Ų | 71 | 61 Ų | 61 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | trans | -87 | 107.7 | 171.5 | -57.2 | 176.6 | 0 | 0 | 0 | 107.2 | G474 T476 E486 | G474-I484 WeakPolarHBondContact O-CB 3.47Å; G474-I484 PolarHBondContact O-N 2.76Å; T476-I484 HydrophobicContact CG2-CD1 4.4Å; T476-I484 HydrophobicContact CG2-CG1 3.72Å; I484-E486 VanDerWaalsContact C-N 3.32Å; I484-E486 HydrophobicContact CG2-CG 4.09Å; I484-E486 PolarHBondContact O-N 3.45Å | ||
| 485 | D | 64.3 | Low | 70.3 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | trans | -67.9 | 89.2 | 173.5 | 179.7 | -7.8 | 0 | 0 | 0 | 110.4 | N483 C487 I488 | N483-D485 PolarHBondContact O-N 2.91Å; D485-C487 PolarHBondContact O-N 3.41Å; D485-C487 WeakPolarHBondContact OD1-CA 3.24Å; D485-C487 WeakPolarHBondContact OD1-CB 3.42Å; D485-C487 PolarHBondContact OD1-N 2.91Å; D485-I488 HydrophobicContact CB-CD1 3.92Å; D485-I488 HydrophobicContact CB-CG1 4.19Å; D485-I488 PolarHBondContact O-N 3.2Å; D485-I488 PolarHBondContact OD1-N 3.09Å | ||
| 486 | E | 71.2 | Confident | 70.2 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -75.1 | -11.4 | 177.1 | -54.8 | 102.8 | 167.8 | 0 | 0 | 112.7 | G474 I484 I488 S489 G504 Y505 | G474-E486 WeakPolarHBondContact CA-OE1 3.39Å; I484-E486 VanDerWaalsContact C-N 3.32Å; I484-E486 HydrophobicContact CG2-CG 4.09Å; I484-E486 PolarHBondContact O-N 3.45Å; E486-I488 PolarHBondContact O-N 2.7Å; E486-S489 WeakPolarHBondContact O-CB 3.42Å; E486-S489 PolarHBondContact O-N 3.03Å; E486-S489 PolarHBondContact O-OG 2.94Å; E486-G504 WeakPolarHBondContact OE2-CA 3.37Å; E486-Y505 HydrophobicContact CB-CD1 3.69Å; E486-Y505 HydrophobicContact CB-CG 4.32Å; E486-Y505 HydrophobicContact CG-CD1 4.39Å; E486-Y505 PolarHBondContact OE2-N 3.5Å |
| 487 | C | 71.5 | Confident | 70.6 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 16% | 0.155 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -66.1 | -21.1 | 174.5 | -67.1 | 0 | 0 | 0 | 0 | 112.8 | D485 S489 S490 C498 V499 D500 | D485-C487 PolarHBondContact O-N 3.41Å; D485-C487 WeakPolarHBondContact OD1-CA 3.24Å; D485-C487 WeakPolarHBondContact OD1-CB 3.42Å; D485-C487 PolarHBondContact OD1-N 2.91Å; C487-S489 PolarHBondContact O-N 2.02Å; C487-S490 PolarHBondContact O-N 3.12Å; C487-C498 WeakPolarHBondContact CA-SG 3.31Å; C487-C498 HydrophobicContact CB-CB 3.58Å; C487-C498 WeakPolarHBondContact CB-SG 3.44Å; C487-C498 WeakPolarHBondContact SG-CB 3.43Å; C487-C498 CovalentContact SG-SG 2.03Å; C487-C498 PolarHBondContact SG-SG 3.1Å; C487-V499 VanDerWaalsContact SG-C 3.56Å; C487-D500 PolarHBondContact SG-N 3.43Å |
| 488 | I | 72.9 | Confident | 71.1 | Confident | 137 Ų | 137 | 68.6 Ų | 68.6 | 70% | 0.703 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -54.3 | -31.6 | 167.8 | -65.3 | 171.3 | 0 | 0 | 0 | 111.8 | D485 E486 S490 | D485-I488 HydrophobicContact CB-CD1 3.92Å; D485-I488 HydrophobicContact CB-CG1 4.19Å; D485-I488 PolarHBondContact O-N 3.2Å; D485-I488 PolarHBondContact OD1-N 3.09Å; E486-I488 PolarHBondContact O-N 2.7Å; I488-S490 PolarHBondContact O-N 3.26Å |
| 489 | S | 67.8 | Low | 71.3 | Confident | 87 Ų | 87 | 65 Ų | 65 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -77 | -6.2 | 177.8 | 73.6 | 0 | 0 | 0 | 0 | 114.3 | E486 C487 P491 | E486-S489 WeakPolarHBondContact O-CB 3.42Å; E486-S489 PolarHBondContact O-N 3.03Å; E486-S489 PolarHBondContact O-OG 2.94Å; C487-S489 PolarHBondContact O-N 2.02Å; S489-P491 WeakPolarHBondContact OG-CD 3.29Å |
| 490 | S | 67.9 | Low | 70.6 | Confident | 102 Ų | 102 | 63 Ų | 63 | 71% | 0.713 | 36% | 0.357 | S | S | * | . | trans | 50.7 | 54.7 | -172.7 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | C487 I488 C492 | C487-S490 PolarHBondContact O-N 3.12Å; I488-S490 PolarHBondContact O-N 3.26Å; S490-C492 VanDerWaalsContact C-N 3.32Å; S490-C492 PolarHBondContact O-N 2.9Å | ||
| 491 | P | 76.4 | Confident | 70.1 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 16% | 0.156 | 38% | 0.377 | C | S | . | . | trans | -74.8 | -18.5 | -172 | 31.7 | -36 | 0 | 0 | 0 | 114 | S489 Y505 | S489-P491 WeakPolarHBondContact OG-CD 3.29Å; P491-Y505 HydrophobicContact CB-CD2 4.15Å; P491-Y505 HydrophobicContact CB-CE1 4.11Å; P491-Y505 HydrophobicContact CB-CE2 3.61Å; P491-Y505 HydrophobicContact CG-CD1 4.04Å; P491-Y505 HydrophobicContact CG-CD2 3.41Å; P491-Y505 VanDerWaalsContact CG-CD2 3.41Å; P491-Y505 HydrophobicContact CG-CE1 4.02Å; P491-Y505 HydrophobicContact CG-CE2 3.41Å; P491-Y505 VanDerWaalsContact CG-CE2 3.41Å; P491-Y505 HydrophobicContact CG-CG 3.74Å | ||
| 492 | C | 79.4 | Confident | 69.1 | Low | 17 Ų | 17 | 67.5 Ų | 67.5 | 12% | 0.115 | 38% | 0.383 | C | S | . | . | trans | -80.9 | 124.8 | -173.7 | -55.2 | 0 | 0 | 0 | 0 | 113.4 | S490 A496 C498 C507 | S490-C492 VanDerWaalsContact C-N 3.32Å; S490-C492 PolarHBondContact O-N 2.9Å; C492-A496 HydrophobicContact CB-CB 4.19Å; C492-C498 HydrophobicContact CB-CB 4.43Å; C492-C498 VanDerWaalsContact SG-CA 3.58Å; C492-C498 WeakPolarHBondContact SG-CB 3.33Å; C492-C507 WeakPolarHBondContact CA-SG 3.39Å; C492-C507 HydrophobicContact CB-CB 3.76Å; C492-C507 WeakPolarHBondContact CB-SG 3.32Å; C492-C507 WeakPolarHBondContact SG-CA 3Å; C492-C507 WeakPolarHBondContact SG-CB 3.4Å; C492-C507 CovalentContact SG-SG 2.03Å; C492-C507 PolarHBondContact SG-SG 3.44Å | ||
| 493 | L | 72.5 | Confident | 68.5 | Low | 80 Ų | 80 | 68 Ų | 68 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -76.3 | 173.5 | 177.3 | -63.7 | 170.6 | 0 | 0 | 0 | 112 | N495 A496 E517 E519 | L493-N495 PolarHBondContact O-N 3.09Å; L493-A496 VanDerWaalsContact O-CB 3.28Å; L493-A496 WeakPolarHBondContact O-CB 3.01Å; L493-A496 PolarHBondContact O-N 3.34Å; L493-E517 WeakPolarHBondContact CB-O 3.43Å; L493-E517 HydrophobicContact CD1-CB 4.45Å; L493-E517 PolarHBondContact N-O 3.26Å; L493-E519 HydrophobicContact CD1-CB 3.74Å |
| 494 | H | 66.9 | Low | 68.8 | Low | 102 Ų | 102 | 67.3 Ų | 67.3 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 23.4 | 178.7 | -56.7 | 116.5 | 0 | 0 | 0 | 115.4 | A496 F513 C518 | H494-A496 PolarHBondContact O-N 3.48Å; H494-F513 HydrophobicContact CB-CD2 4.41Å; H494-F513 HydrophobicContact CB-CE2 4.19Å; H494-F513 HydrophobicContact CB-CZ 4.4Å; H494-F513 AromaticContact CE1-CD1 3.92Å; H494-F513 AromaticContact CE1-CE1 3.54Å; H494-F513 AromaticContact CG-CE1 3.97Å; H494-F513 AromaticContact CG-CZ 3.84Å; H494-F513 AromaticContact ND1-CD1 3.6Å; H494-F513 AromaticContact ND1-CE1 3.51Å; H494-F513 AromaticContact ND1-CZ 3.88Å; H494-C518 PolarHBondContact CE1-O 2.69Å; H494-C518 PolarHBondContact ND1-O 2.04Å |
| 495 | N | 67 | Low | 69 | Low | 139 Ų | 139 | 67 Ų | 67 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 33.7 | -177.7 | -155.1 | 22 | 0 | 0 | 0 | 111.4 | L493 K510 | L493-N495 PolarHBondContact O-N 3.09Å; N495-K510 VanDerWaalsContact O-CE 3.3Å; N495-K510 WeakPolarHBondContact O-CE 3.39Å; N495-K510 PolarHBondContact O-NZ 2.95Å |
| 496 | A | 68.4 | Low | 69.6 | Low | 12 Ų | 12 | 69.6 Ų | 69.6 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | trans | -72.5 | 157.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C492 L493 H494 C498 C518 | C492-A496 HydrophobicContact CB-CB 4.19Å; L493-A496 VanDerWaalsContact O-CB 3.28Å; L493-A496 WeakPolarHBondContact O-CB 3.01Å; L493-A496 PolarHBondContact O-N 3.34Å; H494-A496 PolarHBondContact O-N 3.48Å; A496-C498 PolarHBondContact O-N 3.44Å; A496-C518 HydrophobicContact CB-CB 4.31Å | ||
| 497 | T | 80.6 | Confident | 69.9 | Low | 86 Ų | 86 | 68.2 Ų | 68.2 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 112.2 | -176.5 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | V499 V508 | T497-V499 HydrophobicContact CG2-CG2 4.25Å; T497-V508 PolarHBondContact N-O 2.94Å; T497-V508 WeakPolarHBondContact O-CA 3.36Å; T497-V508 WeakPolarHBondContact O-CB 3.26Å; T497-V508 PolarHBondContact O-N 3.16Å |
| 498 | C | 77.9 | Confident | 70.2 | Confident | 34 Ų | 34 | 70.5 Ų | 70.5 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 128.5 | 169.2 | -164 | 0 | 0 | 0 | 0 | 109.5 | C487 C492 A496 | C487-C498 WeakPolarHBondContact CA-SG 3.31Å; C487-C498 HydrophobicContact CB-CB 3.58Å; C487-C498 WeakPolarHBondContact CB-SG 3.44Å; C487-C498 WeakPolarHBondContact SG-CB 3.43Å; C487-C498 CovalentContact SG-SG 2.03Å; C487-C498 PolarHBondContact SG-SG 3.1Å; C492-C498 HydrophobicContact CB-CB 4.43Å; C492-C498 VanDerWaalsContact SG-CA 3.58Å; C492-C498 WeakPolarHBondContact SG-CB 3.33Å; A496-C498 PolarHBondContact O-N 3.44Å |
| 499 | V | 77.9 | Confident | 70 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 119.1 | 172.5 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | C487 T497 L501 K506 V508 | C487-V499 VanDerWaalsContact SG-C 3.56Å; T497-V499 HydrophobicContact CG2-CG2 4.25Å; V499-L501 HydrophobicContact CG1-CD2 4.15Å; V499-K506 PolarHBondContact N-O 3.13Å; V499-K506 PolarHBondContact O-N 2.7Å; V499-V508 HydrophobicContact CB-CG2 4.24Å; V499-V508 HydrophobicContact CG2-CB 4.47Å; V499-V508 HydrophobicContact CG2-CG2 3.57Å |
| 500 | D | 66.5 | Low | 69.7 | Low | 57 Ų | 57 | 65.3 Ų | 65.3 | 31% | 0.305 | 36% | 0.357 | S | S | . | . | trans | -64.9 | 133.4 | 173.3 | -177.1 | 42.3 | 0 | 0 | 0 | 110.4 | N483 C487 | N483-D500 PolarHBondContact ND2-OD1 2.86Å; N483-D500 PolarHBondContact ND2-OD2 3.46Å; C487-D500 PolarHBondContact SG-N 3.43Å | ||
| 501 | L | 61.6 | Low | 69.2 | Low | 80 Ų | 80 | 67.3 Ų | 67.3 | 42% | 0.419 | 35% | 0.353 | S | S | . | . | trans | -134.2 | 156.3 | 174.7 | -53.9 | 175.9 | 0 | 0 | 0 | 109.3 | N483 V499 H503 G504 K506 | N483-L501 PolarHBondContact ND2-O 3.37Å; N483-L501 PolarHBondContact OD1-O 3.27Å; V499-L501 HydrophobicContact CG1-CD2 4.15Å; L501-H503 PolarHBondContact O-N 2.89Å; L501-H503 VanDerWaalsContact O-N 3.09Å; L501-G504 WeakPolarHBondContact CB-O 3.16Å; L501-G504 PolarHBondContact O-N 3.32Å; L501-G504 VanDerWaalsContact O-N 3.1Å; L501-K506 HydrophobicContact CD1-CB 3.47Å; L501-K506 VanDerWaalsContact CD1-CB 3.47Å; L501-K506 HydrophobicContact CD1-CD 4.01Å; L501-K506 HydrophobicContact CD1-CG 4.39Å; L501-K506 HydrophobicContact CG-CB 4.03Å | ||
| 502 | L | 50 | Low | 68.2 | Low | 97 Ų | 97 | 66.3 Ų | 66.3 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 118.4 | 171.4 | -78.9 | 95.4 | 0 | 0 | 0 | 110.9 | N456 N483 | N456-L502 HydrophobicContact CB-CD2 4.03Å; N456-L502 WeakPolarHBondContact ND2-CD2 3.35Å; N456-L502 VanDerWaalsContact OD1-CD2 3.28Å; N456-L502 WeakPolarHBondContact OD1-CD2 3.02Å; N483-L502 HydrophobicContact CB-CG 4.47Å; N483-L502 VanDerWaalsContact OD1-CA 3.31Å; N483-L502 WeakPolarHBondContact OD1-CA 3.43Å |
| 503 | H | 54.4 | Low | 67.5 | Low | 80 Ų | 80 | 66.9 Ų | 66.9 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 30.6 | -177.5 | -43.7 | 179.8 | 0 | 0 | 0 | 115.1 | N456 A473 I475 N483 L501 | N456-H503 WeakPolarHBondContact CB-NE2 3.02Å; N456-H503 PolarHBondContact O-CE1 2.04Å; N456-H503 PolarHBondContact O-NE2 3.12Å; A473-H503 CarbonylContact O-C 3.58Å; A473-H503 WeakPolarHBondContact O-CA 3.3Å; A473-H503 WeakPolarHBondContact O-CB 3.5Å; I475-H503 VanDerWaalsContact CD1-CD2 3.45Å; I475-H503 WeakPolarHBondContact CD1-CD2 3.39Å; I475-H503 VanDerWaalsContact CD1-NE2 3.26Å; I475-H503 WeakPolarHBondContact CD1-NE2 3.02Å; N483-H503 PolarHBondContact OD1-N 2.97Å; L501-H503 PolarHBondContact O-N 2.89Å; L501-H503 VanDerWaalsContact O-N 3.09Å |
| 504 | G | 63.6 | Low | 67.2 | Low | 20 Ų | 20 | 66.4 Ų | 66.4 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 134.7 | 148.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E486 L501 | E486-G504 WeakPolarHBondContact OE2-CA 3.37Å; L501-G504 WeakPolarHBondContact CB-O 3.16Å; L501-G504 PolarHBondContact O-N 3.32Å; L501-G504 VanDerWaalsContact O-N 3.1Å |
| 505 | Y | 70.1 | Confident | 67 | Low | 66 Ų | 66 | 62.7 Ų | 62.7 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | trans | -59.1 | 143.6 | 171.5 | 70.9 | -79.2 | 0 | 0 | 0 | 113.2 | E486 P491 C507 E517 | E486-Y505 HydrophobicContact CB-CD1 3.69Å; E486-Y505 HydrophobicContact CB-CG 4.32Å; E486-Y505 HydrophobicContact CG-CD1 4.39Å; E486-Y505 PolarHBondContact OE2-N 3.5Å; P491-Y505 HydrophobicContact CB-CD2 4.15Å; P491-Y505 HydrophobicContact CB-CE1 4.11Å; P491-Y505 HydrophobicContact CB-CE2 3.61Å; P491-Y505 HydrophobicContact CG-CD1 4.04Å; P491-Y505 HydrophobicContact CG-CD2 3.41Å; P491-Y505 VanDerWaalsContact CG-CD2 3.41Å; P491-Y505 HydrophobicContact CG-CE1 4.02Å; P491-Y505 HydrophobicContact CG-CE2 3.41Å; P491-Y505 VanDerWaalsContact CG-CE2 3.41Å; P491-Y505 HydrophobicContact CG-CG 3.74Å; Y505-C507 VanDerWaalsContact CE2-SG 3.51Å; Y505-E517 WeakPolarHBondContact OH-CG 3.02Å | ||
| 506 | K | 76.3 | Confident | 67.3 | Low | 124 Ų | 124 | 61.2 Ų | 61.2 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.9 | 162.5 | 176.8 | 177.3 | 179.1 | -178.6 | 0 | 109.3 | V499 L501 V508 | V499-K506 PolarHBondContact N-O 3.13Å; V499-K506 PolarHBondContact O-N 2.7Å; L501-K506 HydrophobicContact CD1-CB 3.47Å; L501-K506 VanDerWaalsContact CD1-CB 3.47Å; L501-K506 HydrophobicContact CD1-CD 4.01Å; L501-K506 HydrophobicContact CD1-CG 4.39Å; L501-K506 HydrophobicContact CG-CB 4.03Å; K506-V508 PolarHBondContact O-N 3.36Å; K506-V508 VanDerWaalsContact O-N 3.12Å |
| 507 | C | 77.6 | Confident | 67.8 | Low | 10 Ų | 10 | 64.8 Ų | 64.8 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 110.7 | 162.9 | -59.6 | 0 | 0 | 0 | 0 | 109.5 | C492 Y505 C509 C518 | C492-C507 WeakPolarHBondContact CA-SG 3.39Å; C492-C507 HydrophobicContact CB-CB 3.76Å; C492-C507 WeakPolarHBondContact CB-SG 3.32Å; C492-C507 WeakPolarHBondContact SG-CA 3Å; C492-C507 WeakPolarHBondContact SG-CB 3.4Å; C492-C507 CovalentContact SG-SG 2.03Å; C492-C507 PolarHBondContact SG-SG 3.44Å; Y505-C507 VanDerWaalsContact CE2-SG 3.51Å; C507-C509 PolarHBondContact O-N 2.81Å; C507-C518 WeakPolarHBondContact CB-SG 3.09Å |
| 508 | V | 78.5 | Confident | 67.4 | Low | 70 Ų | 70 | 60.7 Ų | 60.7 | 42% | 0.424 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 88.5 | 162.5 | 179.6 | 0 | 0 | 0 | 0 | 106.2 | T497 V499 K506 K510 | T497-V508 PolarHBondContact N-O 2.94Å; T497-V508 WeakPolarHBondContact O-CA 3.36Å; T497-V508 WeakPolarHBondContact O-CB 3.26Å; T497-V508 PolarHBondContact O-N 3.16Å; V499-V508 HydrophobicContact CB-CG2 4.24Å; V499-V508 HydrophobicContact CG2-CB 4.47Å; V499-V508 HydrophobicContact CG2-CG2 3.57Å; K506-V508 PolarHBondContact O-N 3.36Å; K506-V508 VanDerWaalsContact O-N 3.12Å; V508-K510 PolarHBondContact O-N 3.04Å |
| 509 | C | 69.1 | Low | 67 | Low | 35 Ų | 35 | 62.6 Ų | 62.6 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 135.5 | 176.5 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | C507 F513 C518 | C507-C509 PolarHBondContact O-N 2.81Å; C509-F513 HydrophobicContact CB-CB 4.14Å; C509-F513 WeakPolarHBondContact CB-O 3.48Å; C509-C518 WeakPolarHBondContact CA-SG 3.45Å; C509-C518 HydrophobicContact CB-CB 3.86Å; C509-C518 WeakPolarHBondContact CB-SG 3.49Å; C509-C518 VanDerWaalsContact SG-CA 3.51Å; C509-C518 WeakPolarHBondContact SG-CB 3.3Å; C509-C518 CovalentContact SG-SG 2.03Å; C509-C518 PolarHBondContact SG-SG 2.87Å |
| 510 | K | 60.7 | Low | 66.3 | Low | 80 Ų | 80 | 64.3 Ų | 64.3 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 151.1 | 159.7 | -80.6 | 169.7 | 173.3 | 164.3 | 0 | 107.9 | N495 V508 F513 N542 | N495-K510 VanDerWaalsContact O-CE 3.3Å; N495-K510 WeakPolarHBondContact O-CE 3.39Å; N495-K510 PolarHBondContact O-NZ 2.95Å; V508-K510 PolarHBondContact O-N 3.04Å; K510-F513 PolarHBondContact O-N 2.03Å; K510-N542 HydrophobicContact CB-CB 4.44Å |
| 511 | F | 57.3 | Low | 65.9 | Low | 144 Ų | 144 | 64.5 Ų | 64.5 | 63% | 0.632 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | 150 | 179.8 | -127.2 | -87.5 | 0 | 0 | 0 | 110.3 | F513 N542 C544 | F511-F513 VanDerWaalsContact C-N 3.28Å; F511-F513 PolarHBondContact O-N 2.77Å; F511-N542 WeakPolarHBondContact CA-OD1 3.4Å; F511-N542 WeakPolarHBondContact CB-OD1 3.34Å; F511-N542 PolarHBondContact N-OD1 3.4Å; F511-N542 VanDerWaalsContact O-CA 3.26Å; F511-N542 WeakPolarHBondContact O-CA 3.26Å; F511-N542 PolarHBondContact O-OD1 3.06Å; F511-C544 WeakPolarHBondContact CD1-SG 3.49Å; F511-C544 VanDerWaalsContact CE1-SG 3.52Å |
| 512 | G | 56.7 | Low | 65.8 | Low | 4 Ų | 4 | 63.5 Ų | 63.5 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -11.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I522 E524 | G512-I522 PolarHBondContact O-N 3.42Å; G512-E524 WeakPolarHBondContact CA-OE1 3.49Å |
| 513 | F | 64.5 | Low | 66.2 | Low | 29 Ų | 29 | 63 Ų | 63 | 13% | 0.127 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 145.3 | 179.2 | -62.8 | -79 | 0 | 0 | 0 | 113.6 | H494 C509 K510 F511 C518 L520 D521 | H494-F513 HydrophobicContact CB-CD2 4.41Å; H494-F513 HydrophobicContact CB-CE2 4.19Å; H494-F513 HydrophobicContact CB-CZ 4.4Å; H494-F513 AromaticContact CE1-CD1 3.92Å; H494-F513 AromaticContact CE1-CE1 3.54Å; H494-F513 AromaticContact CG-CE1 3.97Å; H494-F513 AromaticContact CG-CZ 3.84Å; H494-F513 AromaticContact ND1-CD1 3.6Å; H494-F513 AromaticContact ND1-CE1 3.51Å; H494-F513 AromaticContact ND1-CZ 3.88Å; C509-F513 HydrophobicContact CB-CB 4.14Å; C509-F513 WeakPolarHBondContact CB-O 3.48Å; K510-F513 PolarHBondContact O-N 2.03Å; F511-F513 VanDerWaalsContact C-N 3.28Å; F511-F513 PolarHBondContact O-N 2.77Å; F513-C518 HydrophobicContact CB-CB 4.17Å; F513-L520 CarbonylContact C-O 3.4Å; F513-L520 WeakPolarHBondContact CA-O 3.49Å; F513-D521 VanDerWaalsContact CE1-OD2 3.3Å; F513-D521 WeakPolarHBondContact CE1-OD2 3.44Å |
| 514 | T | 64.7 | Low | 66.7 | Low | 69 Ų | 69 | 60.4 Ų | 60.4 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | -170 | 175.5 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | C518 E519 L520 I522 | T514-C518 CarbonylContact O-C 3.56Å; T514-C518 VanDerWaalsContact O-CA 3.32Å; T514-C518 WeakPolarHBondContact O-CA 3.31Å; T514-E519 PolarHBondContact O-N 3.32Å; T514-L520 HydrophobicContact CG2-CB 3.79Å; T514-L520 PolarHBondContact N-O 3.47Å; T514-L520 WeakPolarHBondContact O-CB 3.04Å; T514-L520 PolarHBondContact O-N 2.76Å; T514-L520 VanDerWaalsContact O-O 3.05Å; T514-I522 HydrophobicContact CG2-CD1 4.44Å; T514-I522 HydrophobicContact CG2-CG1 3.54Å |
| 515 | G | 64.4 | Low | 66.7 | Low | 25 Ų | 25 | 60.6 Ų | 60.6 | 26% | 0.258 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 86.1 | 168.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E519 | G515-E519 VanDerWaalsContact C-OE2 3.22Å; G515-E519 WeakPolarHBondContact CA-OE1 3.02Å; G515-E519 WeakPolarHBondContact CA-OE2 3.45Å |
| 516 | T | 72.7 | Confident | 66.5 | Low | 108 Ų | 108 | 61.3 Ų | 61.3 | 66% | 0.663 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -77.4 | -24.3 | -172.3 | 45 | 0 | 0 | 0 | 0 | 113.2 | E519 | T516-E519 PolarHBondContact N-OE1 2.88Å; T516-E519 PolarHBondContact N-OE2 2.84Å; T516-E519 VanDerWaalsContact N-OE2 3.07Å |
| 517 | E | 79 | Confident | 65.6 | Low | 86 Ų | 86 | 59.6 Ų | 59.6 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -110.3 | 7.6 | 177.7 | -66.4 | 176.5 | -174.5 | 0 | 0 | 111.8 | L493 Y505 E519 | L493-E517 WeakPolarHBondContact CB-O 3.43Å; L493-E517 HydrophobicContact CD1-CB 4.45Å; L493-E517 PolarHBondContact N-O 3.26Å; Y505-E517 WeakPolarHBondContact OH-CG 3.02Å; E517-E519 VanDerWaalsContact C-N 3.27Å; E517-E519 WeakPolarHBondContact CA-OE2 3.26Å; E517-E519 HydrophobicContact CB-CB 4.49Å; E517-E519 PolarHBondContact N-OE2 3.47Å |
| 518 | C | 71.9 | Confident | 64.9 | Low | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 61.5 | 34.2 | -167.7 | -48.9 | 0 | 0 | 0 | 0 | 113.4 | H494 A496 C507 C509 F513 T514 | H494-C518 PolarHBondContact CE1-O 2.69Å; H494-C518 PolarHBondContact ND1-O 2.04Å; A496-C518 HydrophobicContact CB-CB 4.31Å; C507-C518 WeakPolarHBondContact CB-SG 3.09Å; C509-C518 WeakPolarHBondContact CA-SG 3.45Å; C509-C518 HydrophobicContact CB-CB 3.86Å; C509-C518 WeakPolarHBondContact CB-SG 3.49Å; C509-C518 VanDerWaalsContact SG-CA 3.51Å; C509-C518 WeakPolarHBondContact SG-CB 3.3Å; C509-C518 CovalentContact SG-SG 2.03Å; C509-C518 PolarHBondContact SG-SG 2.87Å; F513-C518 HydrophobicContact CB-CB 4.17Å; T514-C518 CarbonylContact O-C 3.56Å; T514-C518 VanDerWaalsContact O-CA 3.32Å; T514-C518 WeakPolarHBondContact O-CA 3.31Å |
| 519 | E | 70 | Confident | 64.2 | Low | 75 Ų | 75 | 60.6 Ų | 60.6 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | trans | -84.2 | -19.2 | -177.5 | 78 | -71 | 176.7 | 0 | 0 | 113.9 | L493 T514 G515 T516 E517 | L493-E519 HydrophobicContact CD1-CB 3.74Å; T514-E519 PolarHBondContact O-N 3.32Å; G515-E519 VanDerWaalsContact C-OE2 3.22Å; G515-E519 WeakPolarHBondContact CA-OE1 3.02Å; G515-E519 WeakPolarHBondContact CA-OE2 3.45Å; T516-E519 PolarHBondContact N-OE1 2.88Å; T516-E519 PolarHBondContact N-OE2 2.84Å; T516-E519 VanDerWaalsContact N-OE2 3.07Å; E517-E519 VanDerWaalsContact C-N 3.27Å; E517-E519 WeakPolarHBondContact CA-OE2 3.26Å; E517-E519 HydrophobicContact CB-CB 4.49Å; E517-E519 PolarHBondContact N-OE2 3.47Å | ||
| 520 | L | 63.8 | Low | 64.4 | Low | 91 Ų | 91 | 59.8 Ų | 59.8 | 48% | 0.476 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.4 | -178.4 | -55.3 | 177 | 0 | 0 | 0 | 110.3 | F513 T514 | F513-L520 CarbonylContact C-O 3.4Å; F513-L520 WeakPolarHBondContact CA-O 3.49Å; T514-L520 HydrophobicContact CG2-CB 3.79Å; T514-L520 PolarHBondContact N-O 3.47Å; T514-L520 WeakPolarHBondContact O-CB 3.04Å; T514-L520 PolarHBondContact O-N 2.76Å; T514-L520 VanDerWaalsContact O-O 3.05Å |
| 521 | D | 57.2 | Low | 65 | Low | 61 Ų | 61 | 61.5 Ų | 61.5 | 33% | 0.326 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 137.2 | 168.6 | -151.2 | -130.9 | 0 | 0 | 0 | 108.4 | F513 P540 G541 | F513-D521 VanDerWaalsContact CE1-OD2 3.3Å; F513-D521 WeakPolarHBondContact CE1-OD2 3.44Å; D521-P540 WeakPolarHBondContact OD1-CA 3.43Å; D521-P540 WeakPolarHBondContact OD1-CB 3.07Å; D521-P540 VanDerWaalsContact OD2-CA 3.28Å; D521-P540 WeakPolarHBondContact OD2-CA 3.48Å; D521-G541 PolarHBondContact OD2-N 3.5Å |
| 522 | I | 59.6 | Low | 65.5 | Low | 60 Ų | 60 | 58.5 Ų | 58.5 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | trans | -85.8 | 112.4 | 178.1 | -55.9 | 172.5 | 0 | 0 | 0 | 108.8 | G512 T514 E524 | G512-I522 PolarHBondContact O-N 3.42Å; T514-I522 HydrophobicContact CG2-CD1 4.44Å; T514-I522 HydrophobicContact CG2-CG1 3.54Å; I522-E524 HydrophobicContact CB-CG 4.17Å; I522-E524 HydrophobicContact CG2-CG 3.77Å; I522-E524 PolarHBondContact O-N 3.29Å | ||
| 523 | D | 59.1 | Low | 66.1 | Low | 87 Ų | 87 | 60.3 Ų | 60.3 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | trans | -66.6 | 88.1 | 163.6 | 178.2 | -8.8 | 0 | 0 | 0 | 109.2 | C525 A526 D538 | D523-C525 PolarHBondContact O-N 2.81Å; D523-C525 WeakPolarHBondContact OD1-CA 3.17Å; D523-C525 WeakPolarHBondContact OD1-CB 3.38Å; D523-C525 PolarHBondContact OD1-N 2.78Å; D523-A526 WeakPolarHBondContact O-CB 3.4Å; D523-A526 PolarHBondContact O-N 2.84Å; D523-A526 PolarHBondContact OD1-N 3.31Å; D523-D538 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 524 | E | 63.8 | Low | 66.4 | Low | 24 Ų | 24 | 59.6 Ų | 59.6 | 11% | 0.112 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -72.1 | -21.7 | -179.7 | -74.6 | 138 | 173.7 | 0 | 0 | 111.2 | G512 I522 A526 S527 P529 D538 C544 F545 | G512-E524 WeakPolarHBondContact CA-OE1 3.49Å; I522-E524 HydrophobicContact CB-CG 4.17Å; I522-E524 HydrophobicContact CG2-CG 3.77Å; I522-E524 PolarHBondContact O-N 3.29Å; E524-A526 VanDerWaalsContact C-N 3.3Å; E524-A526 PolarHBondContact O-N 2.94Å; E524-S527 PolarHBondContact O-N 2.93Å; E524-S527 PolarHBondContact O-OG 3.07Å; E524-P529 WeakPolarHBondContact O-CD 3.39Å; E524-P529 WeakPolarHBondContact O-CG 3.03Å; E524-D538 PolarHBondContact N-OD1 2.03Å; E524-C544 WeakPolarHBondContact OE2-CA 3.08Å; E524-F545 HydrophobicContact CB-CB 3.88Å; E524-F545 HydrophobicContact CB-CD1 3.33Å; E524-F545 HydrophobicContact CB-CE1 4.21Å; E524-F545 HydrophobicContact CB-CG 3.79Å; E524-F545 HydrophobicContact CG-CD1 3.93Å; E524-F545 WeakPolarHBondContact OE2-CD1 3.28Å; E524-F545 PolarHBondContact OE2-N 3.04Å |
| 525 | C | 64.6 | Low | 67.1 | Low | 25 Ų | 25 | 60.6 Ų | 60.6 | 17% | 0.169 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -69.4 | -24.6 | 177.3 | -70.5 | 0 | 0 | 0 | 0 | 113.7 | D523 S527 S528 C536 I537 D538 | D523-C525 PolarHBondContact O-N 2.81Å; D523-C525 WeakPolarHBondContact OD1-CA 3.17Å; D523-C525 WeakPolarHBondContact OD1-CB 3.38Å; D523-C525 PolarHBondContact OD1-N 2.78Å; C525-S527 PolarHBondContact O-N 3.37Å; C525-S527 VanDerWaalsContact O-N 3.09Å; C525-S528 PolarHBondContact O-N 3.14Å; C525-C536 WeakPolarHBondContact CA-SG 3.44Å; C525-C536 HydrophobicContact CB-CB 3.67Å; C525-C536 WeakPolarHBondContact CB-SG 3.04Å; C525-C536 WeakPolarHBondContact SG-CB 3Å; C525-C536 CovalentContact SG-SG 2.03Å; C525-C536 PolarHBondContact SG-SG 3.29Å; C525-I537 VanDerWaalsContact SG-C 3.5Å; C525-I537 PolarHBondContact SG-N 3.36Å; C525-I537 VanDerWaalsContact SG-N 3.45Å; C525-D538 HydrophobicContact CB-CB 4.45Å; C525-D538 PolarHBondContact SG-N 3.01Å; C525-D538 VanDerWaalsContact SG-N 3.36Å |
| 526 | A | 64.8 | Low | 67.5 | Low | 80 Ų | 80 | 61 Ų | 61 | 66% | 0.661 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -53.9 | -27.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | D523 E524 S528 | D523-A526 WeakPolarHBondContact O-CB 3.4Å; D523-A526 PolarHBondContact O-N 2.84Å; D523-A526 PolarHBondContact OD1-N 3.31Å; E524-A526 VanDerWaalsContact C-N 3.3Å; E524-A526 PolarHBondContact O-N 2.94Å; A526-S528 VanDerWaalsContact C-N 3.32Å; A526-S528 PolarHBondContact O-N 3.3Å |
| 527 | S | 58.8 | Low | 67.5 | Low | 88 Ų | 88 | 59 Ų | 59 | 62% | 0.615 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -81.2 | -3.3 | 178.5 | 72.9 | 0 | 0 | 0 | 0 | 115 | E524 C525 P529 | E524-S527 PolarHBondContact O-N 2.93Å; E524-S527 PolarHBondContact O-OG 3.07Å; C525-S527 PolarHBondContact O-N 3.37Å; C525-S527 VanDerWaalsContact O-N 3.09Å; S527-P529 WeakPolarHBondContact OG-CD 3.02Å |
| 528 | S | 61.5 | Low | 66.6 | Low | 96 Ų | 96 | 57.8 Ų | 57.8 | 67% | 0.671 | 35% | 0.345 | S | S | * | . | trans | 48.7 | 55.8 | -167.3 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | C525 A526 C530 | C525-S528 PolarHBondContact O-N 3.14Å; A526-S528 VanDerWaalsContact C-N 3.32Å; A526-S528 PolarHBondContact O-N 3.3Å; S528-C530 VanDerWaalsContact C-N 3.31Å; S528-C530 PolarHBondContact O-N 3.29Å | ||
| 529 | P | 65.2 | Low | 65.8 | Low | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.039 | 36% | 0.362 | C | S | . | . | trans | -72.7 | -22.9 | -169.1 | 30.1 | -35.9 | 0 | 0 | 0 | 113.7 | E524 S527 F545 R557 | E524-P529 WeakPolarHBondContact O-CD 3.39Å; E524-P529 WeakPolarHBondContact O-CG 3.03Å; S527-P529 WeakPolarHBondContact OG-CD 3.02Å; P529-F545 HydrophobicContact CB-CD2 4.07Å; P529-F545 HydrophobicContact CB-CE1 4.48Å; P529-F545 HydrophobicContact CB-CE2 3.56Å; P529-F545 HydrophobicContact CB-CZ 3.82Å; P529-F545 HydrophobicContact CG-CD2 3.41Å; P529-F545 VanDerWaalsContact CG-CD2 3.41Å; P529-F545 HydrophobicContact CG-CE2 3.46Å; P529-F545 VanDerWaalsContact CG-CE2 3.46Å; P529-F545 HydrophobicContact CG-CG 4.01Å; P529-F545 HydrophobicContact CG-CZ 4.08Å; P529-R557 VanDerWaalsContact CB-NH1 3.28Å | ||
| 530 | C | 72 | Confident | 64.9 | Low | 17 Ų | 17 | 62.6 Ų | 62.6 | 12% | 0.115 | 38% | 0.378 | C | S | . | . | trans | -76.8 | 133.1 | -178 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | S528 A534 C536 C547 R557 | S528-C530 VanDerWaalsContact C-N 3.31Å; S528-C530 PolarHBondContact O-N 3.29Å; C530-A534 HydrophobicContact CB-CB 4.02Å; C530-C536 WeakPolarHBondContact SG-CA 3.09Å; C530-C536 WeakPolarHBondContact SG-CB 3.47Å; C530-C547 WeakPolarHBondContact CA-SG 3.36Å; C530-C547 HydrophobicContact CB-CB 3.76Å; C530-C547 WeakPolarHBondContact CB-SG 3.34Å; C530-C547 WeakPolarHBondContact SG-CA 3.46Å; C530-C547 WeakPolarHBondContact SG-CB 3.35Å; C530-C547 CovalentContact SG-SG 2.02Å; C530-C547 PolarHBondContact SG-SG 3.43Å; C530-R557 WeakPolarHBondContact CA-O 3.46Å | ||
| 531 | K | 73.3 | Confident | 64.3 | Low | 117 Ų | 117 | 59 Ų | 59 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | trans | -91 | 174.2 | 178.6 | -58 | -53.9 | -178 | -173.6 | 0 | 111.4 | G533 A534 R557 E559 | K531-G533 PolarHBondContact O-N 2.92Å; K531-A534 VanDerWaalsContact O-CB 3.3Å; K531-A534 WeakPolarHBondContact O-CB 3.45Å; K531-A534 PolarHBondContact O-N 3.06Å; K531-R557 PolarHBondContact N-O 3.44Å; K531-E559 HydrophobicContact CB-CB 4.47Å; K531-E559 HydrophobicContact CG-CB 4.21Å | ||
| 532 | N | 67.8 | Low | 63.7 | Low | 80 Ų | 80 | 59.5 Ų | 59.5 | 43% | 0.428 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 28.1 | 171.6 | -56.1 | -41.3 | 0 | 0 | 0 | 115.7 | A534 F553 C558 | N532-A534 VanDerWaalsContact C-N 3.27Å; N532-A534 PolarHBondContact O-N 3.38Å; N532-F553 HydrophobicContact CB-CD1 3.98Å; N532-F553 HydrophobicContact CB-CD2 3.82Å; N532-F553 HydrophobicContact CB-CE1 3.77Å; N532-F553 HydrophobicContact CB-CE2 3.57Å; N532-F553 HydrophobicContact CB-CG 4Å; N532-F553 HydrophobicContact CB-CZ 3.54Å; N532-F553 VanDerWaalsContact CG-CE1 3.41Å; N532-F553 VanDerWaalsContact ND2-CD1 3.3Å; N532-F553 WeakPolarHBondContact ND2-CD1 3.46Å; N532-F553 WeakPolarHBondContact ND2-CE1 3.37Å; N532-C558 PolarHBondContact ND2-O 3.41Å |
| 533 | G | 68.8 | Low | 63.1 | Low | 42 Ų | 42 | 66.2 Ų | 66.2 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 17.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K531 R550 | K531-G533 PolarHBondContact O-N 2.92Å; G533-R550 VanDerWaalsContact O-CZ 3.3Å; G533-R550 PolarHBondContact O-NE 2.8Å; G533-R550 PolarHBondContact O-NH2 3.5Å |
| 534 | A | 71.5 | Confident | 63.1 | Low | 15 Ų | 15 | 64.1 Ų | 64.1 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -67 | 151 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | C530 K531 N532 H548 C558 | C530-A534 HydrophobicContact CB-CB 4.02Å; K531-A534 VanDerWaalsContact O-CB 3.3Å; K531-A534 WeakPolarHBondContact O-CB 3.45Å; K531-A534 PolarHBondContact O-N 3.06Å; N532-A534 VanDerWaalsContact C-N 3.27Å; N532-A534 PolarHBondContact O-N 3.38Å; A534-H548 WeakPolarHBondContact CB-O 3.46Å; A534-C558 HydrophobicContact CB-CB 3.66Å; A534-C558 VanDerWaalsContact CB-SG 3.51Å |
| 535 | T | 80.3 | Confident | 62.7 | Low | 89 Ų | 89 | 63.6 Ų | 63.6 | 55% | 0.546 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121 | -176.1 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | H548 | T535-H548 PolarHBondContact N-O 3.49Å; T535-H548 PolarHBondContact O-N 3.02Å |
| 536 | C | 72.3 | Confident | 62.8 | Low | 35 Ų | 35 | 69.5 Ų | 69.5 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.3 | 174.7 | -162.5 | 0 | 0 | 0 | 0 | 111.4 | C525 C530 | C525-C536 WeakPolarHBondContact CA-SG 3.44Å; C525-C536 HydrophobicContact CB-CB 3.67Å; C525-C536 WeakPolarHBondContact CB-SG 3.04Å; C525-C536 WeakPolarHBondContact SG-CB 3Å; C525-C536 CovalentContact SG-SG 2.03Å; C525-C536 PolarHBondContact SG-SG 3.29Å; C530-C536 WeakPolarHBondContact SG-CA 3.09Å; C530-C536 WeakPolarHBondContact SG-CB 3.47Å |
| 537 | I | 72.2 | Confident | 62.9 | Low | 65 Ų | 65 | 66.2 Ų | 66.2 | 33% | 0.333 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 115 | 173.5 | -54.5 | 175.3 | 0 | 0 | 0 | 107.8 | C525 L539 F545 R546 H548 | C525-I537 VanDerWaalsContact SG-C 3.5Å; C525-I537 PolarHBondContact SG-N 3.36Å; C525-I537 VanDerWaalsContact SG-N 3.45Å; I537-L539 HydrophobicContact CG2-CD2 4.43Å; I537-F545 CarbonylContact O-C 3.41Å; I537-F545 WeakPolarHBondContact O-CA 3.46Å; I537-R546 WeakPolarHBondContact CB-O 3.32Å; I537-R546 PolarHBondContact N-O 2.89Å; I537-R546 PolarHBondContact O-N 3.37Å; I537-H548 HydrophobicContact CD1-CB 4.14Å |
| 538 | D | 60.1 | Low | 63.6 | Low | 60 Ų | 60 | 67.6 Ų | 67.6 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | trans | -72.8 | 138.9 | 178.7 | -160.1 | 41 | 0 | 0 | 0 | 110.6 | D523 E524 C525 | D523-D538 WeakPolarHBondContact CA-OD1 3.49Å; E524-D538 PolarHBondContact N-OD1 2.03Å; C525-D538 HydrophobicContact CB-CB 4.45Å; C525-D538 PolarHBondContact SG-N 3.01Å; C525-D538 VanDerWaalsContact SG-N 3.36Å | ||
| 539 | L | 55.8 | Low | 63.9 | Low | 68 Ų | 68 | 64.4 Ų | 64.4 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | trans | -142.9 | 123.8 | -172.4 | -71.1 | 178.4 | 0 | 0 | 0 | 111.1 | I537 G541 R546 | I537-L539 HydrophobicContact CG2-CD2 4.43Å; L539-G541 PolarHBondContact O-N 2.04Å; L539-R546 HydrophobicContact CD1-CB 3.72Å | ||
| 540 | P | 50.1 | Low | 64.3 | Low | 108 Ų | 108 | 71.7 Ų | 71.7 | 70% | 0.701 | 37% | 0.37 | S | S | * | . | trans | -74.5 | 127.1 | -175.6 | 28.2 | -34.4 | 0 | 0 | 0 | 112.7 | D521 | D521-P540 WeakPolarHBondContact OD1-CA 3.43Å; D521-P540 WeakPolarHBondContact OD1-CB 3.07Å; D521-P540 VanDerWaalsContact OD2-CA 3.28Å; D521-P540 WeakPolarHBondContact OD2-CA 3.48Å | ||
| 541 | G | 51.1 | Low | 64.2 | Low | 16 Ų | 16 | 77.9 Ų | 77.9 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 127.8 | -177.8 | 176 | 0 | 0 | 0 | 0 | 0 | 116.5 | D521 L539 Y543 | D521-G541 PolarHBondContact OD2-N 3.5Å; L539-G541 PolarHBondContact O-N 2.04Å; G541-Y543 PolarHBondContact O-N 2.94Å |
| 542 | N | 44.6 | Very low | 63.8 | Low | 71 Ų | 71 | 72.6 Ų | 72.6 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -69.5 | 21 | -177.1 | -161.4 | 33.6 | 0 | 0 | 0 | 115.4 | K510 F511 | K510-N542 HydrophobicContact CB-CB 4.44Å; F511-N542 WeakPolarHBondContact CA-OD1 3.4Å; F511-N542 WeakPolarHBondContact CB-OD1 3.34Å; F511-N542 PolarHBondContact N-OD1 3.4Å; F511-N542 VanDerWaalsContact O-CA 3.26Å; F511-N542 WeakPolarHBondContact O-CA 3.26Å; F511-N542 PolarHBondContact O-OD1 3.06Å |
| 543 | Y | 47.7 | Very low | 64 | Low | 201 Ų | 201 | 70.3 Ų | 70.3 | 79% | 0.788 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -140.8 | 87.4 | 178.4 | -68.6 | -76.9 | 0 | 0 | 0 | 108.6 | G541 | G541-Y543 PolarHBondContact O-N 2.94Š|
| 544 | C | 57.9 | Low | 63.9 | Low | 44 Ų | 44 | 70.5 Ų | 70.5 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | trans | -11.3 | 148.7 | 169.6 | -63.1 | 0 | 0 | 0 | 0 | 117.5 | F511 E524 R546 | F511-C544 WeakPolarHBondContact CD1-SG 3.49Å; F511-C544 VanDerWaalsContact CE1-SG 3.52Å; E524-C544 WeakPolarHBondContact OE2-CA 3.08Å; C544-R546 PolarHBondContact O-N 3.26Å | ||
| 545 | F | 57.3 | Low | 63 | Low | 12 Ų | 12 | 71.1 Ų | 71.1 | 5% | 0.053 | 37% | 0.365 | C | S | . | . | trans | -22.2 | 127.2 | 157.2 | 66.9 | -74.6 | 0 | 0 | 0 | 114.1 | E524 P529 I537 C547 R557 | E524-F545 HydrophobicContact CB-CB 3.88Å; E524-F545 HydrophobicContact CB-CD1 3.33Å; E524-F545 HydrophobicContact CB-CE1 4.21Å; E524-F545 HydrophobicContact CB-CG 3.79Å; E524-F545 HydrophobicContact CG-CD1 3.93Å; E524-F545 WeakPolarHBondContact OE2-CD1 3.28Å; E524-F545 PolarHBondContact OE2-N 3.04Å; P529-F545 HydrophobicContact CB-CD2 4.07Å; P529-F545 HydrophobicContact CB-CE1 4.48Å; P529-F545 HydrophobicContact CB-CE2 3.56Å; P529-F545 HydrophobicContact CB-CZ 3.82Å; P529-F545 HydrophobicContact CG-CD2 3.41Å; P529-F545 VanDerWaalsContact CG-CD2 3.41Å; P529-F545 HydrophobicContact CG-CE2 3.46Å; P529-F545 VanDerWaalsContact CG-CE2 3.46Å; P529-F545 HydrophobicContact CG-CG 4.01Å; P529-F545 HydrophobicContact CG-CZ 4.08Å; I537-F545 CarbonylContact O-C 3.41Å; I537-F545 WeakPolarHBondContact O-CA 3.46Å; F545-C547 VanDerWaalsContact CE2-SG 3.53Å; F545-R557 HydrophobicContact CE2-CG 4.1Å; F545-R557 HydrophobicContact CZ-CG 3.98Å; F545-R557 VanDerWaalsContact CZ-CZ 3.49Å | ||
| 546 | R | 64.9 | Low | 62 | Low | 149 Ų | 149 | 71.6 Ų | 71.6 | 56% | 0.562 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 110.3 | 175.7 | -169.7 | 179.5 | 70.4 | -175.8 | 2.1 | 110.1 | I537 L539 C544 H548 | I537-R546 WeakPolarHBondContact CB-O 3.32Å; I537-R546 PolarHBondContact N-O 2.89Å; I537-R546 PolarHBondContact O-N 3.37Å; L539-R546 HydrophobicContact CD1-CB 3.72Å; C544-R546 PolarHBondContact O-N 3.26Å; R546-H548 PolarHBondContact O-N 2.04Å |
| 547 | C | 67.6 | Low | 61.9 | Low | 11 Ų | 11 | 74.8 Ų | 74.8 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 117.2 | 165.7 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | C530 F545 C549 C558 | C530-C547 WeakPolarHBondContact CA-SG 3.36Å; C530-C547 HydrophobicContact CB-CB 3.76Å; C530-C547 WeakPolarHBondContact CB-SG 3.34Å; C530-C547 WeakPolarHBondContact SG-CA 3.46Å; C530-C547 WeakPolarHBondContact SG-CB 3.35Å; C530-C547 CovalentContact SG-SG 2.02Å; C530-C547 PolarHBondContact SG-SG 3.43Å; F545-C547 VanDerWaalsContact CE2-SG 3.53Å; C547-C549 PolarHBondContact O-N 3.47Å; C547-C558 WeakPolarHBondContact CB-SG 3.35Å |
| 548 | H | 73.8 | Confident | 61.6 | Low | 117 Ų | 117 | 71.7 Ų | 71.7 | 54% | 0.542 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 97.8 | 166.3 | -176 | 48.8 | 0 | 0 | 0 | 108.4 | A534 T535 I537 R546 | A534-H548 WeakPolarHBondContact CB-O 3.46Å; T535-H548 PolarHBondContact N-O 3.49Å; T535-H548 PolarHBondContact O-N 3.02Å; I537-H548 HydrophobicContact CD1-CB 4.14Å; R546-H548 PolarHBondContact O-N 2.04Å |
| 549 | C | 68.5 | Low | 62 | Low | 30 Ų | 30 | 72.8 Ų | 72.8 | 20% | 0.203 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 142.7 | 179.6 | -51.9 | 0 | 0 | 0 | 0 | 111 | C547 F553 C558 | C547-C549 PolarHBondContact O-N 3.47Å; C549-F553 HydrophobicContact CB-CB 4.22Å; C549-F553 WeakPolarHBondContact CB-O 3.39Å; C549-C558 WeakPolarHBondContact CA-SG 3.49Å; C549-C558 HydrophobicContact CB-CB 3.75Å; C549-C558 WeakPolarHBondContact CB-SG 3.44Å; C549-C558 PolarHBondContact N-SG 3.39Å; C549-C558 VanDerWaalsContact SG-CA 3.54Å; C549-C558 WeakPolarHBondContact SG-CB 3.26Å; C549-C558 CovalentContact SG-SG 2.03Å; C549-C558 PolarHBondContact SG-SG 3.41Å |
| 550 | R | 72.6 | Confident | 62.6 | Low | 159 Ų | 159 | 73.8 Ų | 73.8 | 60% | 0.6 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 154.8 | 156.8 | -60.6 | -174.8 | -173.8 | -158.4 | 3.1 | 107.4 | G533 F553 | G533-R550 VanDerWaalsContact O-CZ 3.3Å; G533-R550 PolarHBondContact O-NE 2.8Å; G533-R550 PolarHBondContact O-NH2 3.5Å; R550-F553 PolarHBondContact O-N 2.86Å |
| 551 | Q | 70.8 | Confident | 63.3 | Low | 146 Ų | 146 | 70.5 Ų | 70.5 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 151.4 | 173.9 | -51.7 | -176.6 | 138.2 | 0 | 0 | 110 | F553 D580 | Q551-F553 VanDerWaalsContact C-N 3.31Å; Q551-F553 PolarHBondContact O-N 2.75Å; Q551-D580 VanDerWaalsContact CB-CG 3.41Å; Q551-D580 WeakPolarHBondContact CB-OD1 3.39Å; Q551-D580 WeakPolarHBondContact CB-OD2 3.34Å; Q551-D580 PolarHBondContact NE2-OD2 3.1Å |
| 552 | G | 64 | Low | 64.1 | Low | 7 Ų | 7 | 72 Ų | 72 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -9.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | N561 V562 D580 | G552-N561 PolarHBondContact O-OD1 3.08Å; G552-V562 PolarHBondContact O-N 3.34Å; G552-D580 VanDerWaalsContact CA-CA 3.47Å; G552-D580 PolarHBondContact N-OD1 2.84Å |
| 553 | F | 73.1 | Confident | 65.3 | Low | 31 Ų | 31 | 72.3 Ų | 72.3 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.3 | 179 | -63.9 | -74.1 | 0 | 0 | 0 | 112.9 | N532 C549 R550 Q551 C558 I560 N561 V579 | N532-F553 HydrophobicContact CB-CD1 3.98Å; N532-F553 HydrophobicContact CB-CD2 3.82Å; N532-F553 HydrophobicContact CB-CE1 3.77Å; N532-F553 HydrophobicContact CB-CE2 3.57Å; N532-F553 HydrophobicContact CB-CG 4Å; N532-F553 HydrophobicContact CB-CZ 3.54Å; N532-F553 VanDerWaalsContact CG-CE1 3.41Å; N532-F553 VanDerWaalsContact ND2-CD1 3.3Å; N532-F553 WeakPolarHBondContact ND2-CD1 3.46Å; N532-F553 WeakPolarHBondContact ND2-CE1 3.37Å; C549-F553 HydrophobicContact CB-CB 4.22Å; C549-F553 WeakPolarHBondContact CB-O 3.39Å; R550-F553 PolarHBondContact O-N 2.86Å; Q551-F553 VanDerWaalsContact C-N 3.31Å; Q551-F553 PolarHBondContact O-N 2.75Å; F553-C558 HydrophobicContact CB-CB 4.14Å; F553-I560 WeakPolarHBondContact CA-O 3.49Å; F553-N561 WeakPolarHBondContact CE1-OD1 3.31Å; F553-V579 HydrophobicContact CD2-CG1 4.27Å; F553-V579 HydrophobicContact CE1-CG1 4.3Å; F553-V579 HydrophobicContact CE1-CG2 4.17Å; F553-V579 HydrophobicContact CE2-CG1 3.28Å; F553-V579 HydrophobicContact CZ-CB 4.12Å; F553-V579 HydrophobicContact CZ-CG1 3.3Å; F553-V579 HydrophobicContact CZ-CG2 3.67Å |
| 554 | S | 64.9 | Low | 66.7 | Low | 46 Ų | 46 | 64.8 Ų | 64.8 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | -169.9 | 176.7 | 69.4 | 0 | 0 | 0 | 0 | 111.2 | C558 E559 I560 V562 | S554-C558 CarbonylContact O-C 3.28Å; S554-C558 VanDerWaalsContact O-CA 3.23Å; S554-C558 WeakPolarHBondContact O-CA 3.16Å; S554-E559 PolarHBondContact O-N 2.98Å; S554-I560 PolarHBondContact N-O 3.33Å; S554-I560 WeakPolarHBondContact O-CB 3.31Å; S554-I560 PolarHBondContact O-N 2.89Å; S554-V562 VanDerWaalsContact CB-CG2 3.45Å; S554-V562 WeakPolarHBondContact OG-CG2 3.01Å |
| 555 | G | 53.8 | Low | 67.3 | Low | 28 Ų | 28 | 63.7 Ų | 63.7 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 82.8 | 163.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R557 C558 E559 | G555-R557 PolarHBondContact O-N 3.12Å; G555-C558 PolarHBondContact O-N 3.44Å; G555-E559 VanDerWaalsContact C-OE2 3.24Å; G555-E559 WeakPolarHBondContact CA-OE2 3.45Å |
| 556 | P | 59.7 | Low | 68.1 | Low | 99 Ų | 99 | 67.5 Ų | 67.5 | 64% | 0.643 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.9 | -173.1 | 27.5 | -34.9 | 0 | 0 | 0 | 113.6 | ||
| 557 | R | 68.9 | Low | 68.3 | Low | 103 Ų | 103 | 64.7 Ų | 64.7 | 39% | 0.389 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 10.4 | 177.8 | -56.8 | 178.9 | 174.8 | -104.9 | -3.9 | 113.1 | P529 C530 K531 F545 G555 E559 | P529-R557 VanDerWaalsContact CB-NH1 3.28Å; C530-R557 WeakPolarHBondContact CA-O 3.46Å; K531-R557 PolarHBondContact N-O 3.44Å; F545-R557 HydrophobicContact CE2-CG 4.1Å; F545-R557 HydrophobicContact CZ-CG 3.98Å; F545-R557 VanDerWaalsContact CZ-CZ 3.49Å; G555-R557 PolarHBondContact O-N 3.12Å; R557-E559 WeakPolarHBondContact CA-OE2 3.01Å; R557-E559 HydrophobicContact CB-CB 4.46Å; R557-E559 WeakPolarHBondContact CB-OE1 3.05Å; R557-E559 PolarHBondContact N-OE1 3.19Å; R557-E559 PolarHBondContact N-OE2 2.96Å; R557-E559 PolarHBondContact O-N 2.75Å |
| 558 | C | 65.5 | Low | 68.3 | Low | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 57.8 | 32.6 | -171.6 | -46.6 | 0 | 0 | 0 | 0 | 112.7 | N532 A534 C547 C549 F553 S554 G555 | N532-C558 PolarHBondContact ND2-O 3.41Å; A534-C558 HydrophobicContact CB-CB 3.66Å; A534-C558 VanDerWaalsContact CB-SG 3.51Å; C547-C558 WeakPolarHBondContact CB-SG 3.35Å; C549-C558 WeakPolarHBondContact CA-SG 3.49Å; C549-C558 HydrophobicContact CB-CB 3.75Å; C549-C558 WeakPolarHBondContact CB-SG 3.44Å; C549-C558 PolarHBondContact N-SG 3.39Å; C549-C558 VanDerWaalsContact SG-CA 3.54Å; C549-C558 WeakPolarHBondContact SG-CB 3.26Å; C549-C558 CovalentContact SG-SG 2.03Å; C549-C558 PolarHBondContact SG-SG 3.41Å; F553-C558 HydrophobicContact CB-CB 4.14Å; S554-C558 CarbonylContact O-C 3.28Å; S554-C558 VanDerWaalsContact O-CA 3.23Å; S554-C558 WeakPolarHBondContact O-CA 3.16Å; G555-C558 PolarHBondContact O-N 3.44Å |
| 559 | E | 68.7 | Low | 68.5 | Low | 82 Ų | 82 | 64.2 Ų | 64.2 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | trans | -87.7 | -20 | -177.3 | 70.2 | -83.9 | -117.7 | 0 | 0 | 113.1 | K531 S554 G555 R557 | K531-E559 HydrophobicContact CB-CB 4.47Å; K531-E559 HydrophobicContact CG-CB 4.21Å; S554-E559 PolarHBondContact O-N 2.98Å; G555-E559 VanDerWaalsContact C-OE2 3.24Å; G555-E559 WeakPolarHBondContact CA-OE2 3.45Å; R557-E559 WeakPolarHBondContact CA-OE2 3.01Å; R557-E559 HydrophobicContact CB-CB 4.46Å; R557-E559 WeakPolarHBondContact CB-OE1 3.05Å; R557-E559 PolarHBondContact N-OE1 3.19Å; R557-E559 PolarHBondContact N-OE2 2.96Å; R557-E559 PolarHBondContact O-N 2.75Å | ||
| 560 | I | 68.7 | Low | 69.2 | Low | 90 Ų | 90 | 63.6 Ų | 63.6 | 46% | 0.462 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.7 | -177.7 | -46.1 | -178.8 | 0 | 0 | 0 | 107.7 | F553 S554 V562 | F553-I560 WeakPolarHBondContact CA-O 3.49Å; S554-I560 PolarHBondContact N-O 3.33Å; S554-I560 WeakPolarHBondContact O-CB 3.31Å; S554-I560 PolarHBondContact O-N 2.89Å; I560-V562 PolarHBondContact O-N 2.69Å |
| 561 | N | 65 | Low | 69.5 | Low | 38 Ų | 38 | 62.1 Ų | 62.1 | 20% | 0.203 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.5 | 164.3 | -157.5 | 56.8 | 0 | 0 | 0 | 107.4 | G552 F553 D563 D577 V578 V579 | G552-N561 PolarHBondContact O-OD1 3.08Å; F553-N561 WeakPolarHBondContact CE1-OD1 3.31Å; N561-D563 PolarHBondContact O-N 3.2Å; N561-D563 VanDerWaalsContact O-N 3.07Å; N561-D577 VanDerWaalsContact ND2-CG 3.26Å; N561-D577 PolarHBondContact ND2-OD1 3.4Å; N561-D577 VanDerWaalsContact ND2-OD1 3.15Å; N561-D577 PolarHBondContact ND2-OD2 3.14Å; N561-V578 PolarHBondContact ND2-O 3.18Å; N561-V579 WeakPolarHBondContact OD1-CG2 3.34Å |
| 562 | V | 68.7 | Low | 69.6 | Low | 48 Ų | 48 | 59.2 Ų | 59.2 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | trans | -69.4 | 108.8 | 172.6 | 174.1 | 0 | 0 | 0 | 0 | 106.3 | G552 S554 I560 E564 | G552-V562 PolarHBondContact O-N 3.34Å; S554-V562 VanDerWaalsContact CB-CG2 3.45Å; S554-V562 WeakPolarHBondContact OG-CG2 3.01Å; I560-V562 PolarHBondContact O-N 2.69Å; V562-E564 VanDerWaalsContact C-N 3.25Å; V562-E564 WeakPolarHBondContact CB-OE1 3.5Å; V562-E564 HydrophobicContact CG1-CG 4.03Å; V562-E564 VanDerWaalsContact CG1-OE1 3.26Å; V562-E564 WeakPolarHBondContact CG1-OE1 3.39Å; V562-E564 VanDerWaalsContact O-CD 3.26Å; V562-E564 PolarHBondContact O-N 3.31Å | ||
| 563 | D | 70.1 | Confident | 70.2 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | trans | -67.7 | 89.8 | 171.7 | -178.7 | -22.3 | 0 | 0 | 0 | 108.5 | N561 C565 S566 D577 | N561-D563 PolarHBondContact O-N 3.2Å; N561-D563 VanDerWaalsContact O-N 3.07Å; D563-C565 PolarHBondContact O-N 2.93Å; D563-C565 VanDerWaalsContact OD1-CA 3.23Å; D563-C565 WeakPolarHBondContact OD1-CA 3.4Å; D563-C565 WeakPolarHBondContact OD1-CB 3.2Å; D563-C565 PolarHBondContact OD1-N 3.5Å; D563-S566 WeakPolarHBondContact CB-OG 3.01Å; D563-S566 WeakPolarHBondContact O-CB 3.25Å; D563-S566 PolarHBondContact O-N 3.22Å; D563-S566 PolarHBondContact O-OG 3.32Å; D563-S566 PolarHBondContact OD1-N 3.36Å; D563-S566 PolarHBondContact OD1-OG 3.21Å; D563-D577 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 564 | E | 75.6 | Confident | 70.4 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 20% | 0.201 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -67.6 | -18 | 177.6 | -81.1 | 103.3 | -159.8 | 0 | 0 | 112.1 | V562 S566 S567 G581 F582 | V562-E564 VanDerWaalsContact C-N 3.25Å; V562-E564 WeakPolarHBondContact CB-OE1 3.5Å; V562-E564 HydrophobicContact CG1-CG 4.03Å; V562-E564 VanDerWaalsContact CG1-OE1 3.26Å; V562-E564 WeakPolarHBondContact CG1-OE1 3.39Å; V562-E564 VanDerWaalsContact O-CD 3.26Å; V562-E564 PolarHBondContact O-N 3.31Å; E564-S566 VanDerWaalsContact C-N 3.29Å; E564-S566 PolarHBondContact O-N 3.08Å; E564-S567 PolarHBondContact O-N 3.31Å; E564-S567 PolarHBondContact O-OG 3.45Å; E564-G581 VanDerWaalsContact OE2-C 3.23Å; E564-G581 WeakPolarHBondContact OE2-CA 3.39Å; E564-G581 PolarHBondContact OE2-N 3Å; E564-F582 HydrophobicContact CB-CB 4.2Å; E564-F582 HydrophobicContact CB-CD1 3.88Å; E564-F582 HydrophobicContact CB-CG 4.49Å |
| 565 | C | 71.9 | Confident | 71.1 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 14% | 0.135 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -70.5 | -19.6 | 172.5 | -66.3 | 0 | 0 | 0 | 0 | 113.9 | D563 S567 S568 C575 D577 | D563-C565 PolarHBondContact O-N 2.93Å; D563-C565 VanDerWaalsContact OD1-CA 3.23Å; D563-C565 WeakPolarHBondContact OD1-CA 3.4Å; D563-C565 WeakPolarHBondContact OD1-CB 3.2Å; D563-C565 PolarHBondContact OD1-N 3.5Å; C565-S567 PolarHBondContact O-N 2.7Å; C565-S568 PolarHBondContact O-N 3.01Å; C565-C575 WeakPolarHBondContact CA-SG 3.34Å; C565-C575 HydrophobicContact CB-CB 3.57Å; C565-C575 WeakPolarHBondContact CB-SG 3.37Å; C565-C575 WeakPolarHBondContact SG-CB 3.45Å; C565-C575 CovalentContact SG-SG 2.02Å; C565-C575 PolarHBondContact SG-SG 3.2Å; C565-D577 PolarHBondContact SG-N 2.78Å; C565-D577 VanDerWaalsContact SG-N 3.42Å |
| 566 | S | 72.7 | Confident | 72.3 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -51.6 | -24 | 171.3 | -54.5 | 0 | 0 | 0 | 0 | 114.1 | D563 E564 S568 | D563-S566 WeakPolarHBondContact CB-OG 3.01Å; D563-S566 WeakPolarHBondContact O-CB 3.25Å; D563-S566 PolarHBondContact O-N 3.22Å; D563-S566 PolarHBondContact O-OG 3.32Å; D563-S566 PolarHBondContact OD1-N 3.36Å; D563-S566 PolarHBondContact OD1-OG 3.21Å; E564-S566 VanDerWaalsContact C-N 3.29Å; E564-S566 PolarHBondContact O-N 3.08Å; S566-S568 VanDerWaalsContact C-N 3.32Å |
| 567 | S | 70.7 | Confident | 73 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 63% | 0.629 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -86.7 | 2.2 | 178.9 | 66.9 | 0 | 0 | 0 | 0 | 114.3 | E564 C565 | E564-S567 PolarHBondContact O-N 3.31Å; E564-S567 PolarHBondContact O-OG 3.45Å; C565-S567 PolarHBondContact O-N 2.7Å |
| 568 | S | 67.8 | Low | 73.1 | Confident | 101 Ų | 101 | 65 Ų | 65 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | trans | 45.8 | 55.5 | -168.6 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | C565 S566 C570 | C565-S568 PolarHBondContact O-N 3.01Å; S566-S568 VanDerWaalsContact C-N 3.32Å; S568-C570 VanDerWaalsContact C-N 3.28Å; S568-C570 PolarHBondContact O-N 2.88Å | ||
| 569 | P | 77.5 | Confident | 73.3 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 11% | 0.11 | 38% | 0.382 | C | S | . | . | trans | -74.6 | -16.5 | -170.5 | 32.7 | -36.9 | 0 | 0 | 0 | 113.5 | F582 R594 | P569-F582 HydrophobicContact CB-CD1 4.23Å; P569-F582 HydrophobicContact CB-CD2 4.2Å; P569-F582 HydrophobicContact CB-CE1 3.82Å; P569-F582 HydrophobicContact CB-CE2 3.81Å; P569-F582 HydrophobicContact CB-CG 4.42Å; P569-F582 HydrophobicContact CB-CZ 3.61Å; P569-F582 HydrophobicContact CG-CD1 3.84Å; P569-F582 HydrophobicContact CG-CD2 3.65Å; P569-F582 HydrophobicContact CG-CE1 3.96Å; P569-F582 HydrophobicContact CG-CE2 3.8Å; P569-F582 HydrophobicContact CG-CG 3.7Å; P569-F582 HydrophobicContact CG-CZ 3.95Å; P569-R594 VanDerWaalsContact O-CB 3.24Å; P569-R594 WeakPolarHBondContact O-CB 3.5Å; P569-R594 VanDerWaalsContact O-CD 3.26Å; P569-R594 WeakPolarHBondContact O-CD 3.31Å; P569-R594 WeakPolarHBondContact O-CG 3.44Å | ||
| 570 | C | 81.8 | Confident | 73.2 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | trans | -86.6 | 122.7 | 176.2 | -50 | 0 | 0 | 0 | 0 | 110.6 | S568 G573 C575 C584 R594 | S568-C570 VanDerWaalsContact C-N 3.28Å; S568-C570 PolarHBondContact O-N 2.88Å; C570-G573 WeakPolarHBondContact CB-O 3.02Å; C570-C575 HydrophobicContact CB-CB 4.36Å; C570-C575 WeakPolarHBondContact SG-CA 3.4Å; C570-C575 WeakPolarHBondContact SG-CB 3.47Å; C570-C584 VanDerWaalsContact CA-SG 3.51Å; C570-C584 HydrophobicContact CB-CB 3.78Å; C570-C584 WeakPolarHBondContact CB-SG 3.45Å; C570-C584 VanDerWaalsContact SG-CA 3.55Å; C570-C584 WeakPolarHBondContact SG-CB 3.24Å; C570-C584 CovalentContact SG-SG 2.01Å; C570-C584 PolarHBondContact SG-SG 3.26Å; C570-R594 CarbonylContact C-O 3.42Å; C570-R594 WeakPolarHBondContact CA-O 3.42Å | ||
| 571 | F | 79.1 | Confident | 73.3 | Confident | 128 Ų | 128 | 66.1 Ų | 66.1 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -74 | -50.4 | 179.2 | -68.6 | -88.2 | 0 | 0 | 0 | 111.8 | R594 E596 | F571-R594 HydrophobicContact CD2-CB 4.01Å; F571-R594 HydrophobicContact CE2-CB 4.25Å; F571-R594 PolarHBondContact N-O 2.9Å; F571-E596 HydrophobicContact CD2-CB 3.71Å; F571-E596 HydrophobicContact CE2-CB 4.03Å |
| 572 | H | 73.7 | Confident | 73.8 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 39% | 0.389 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -132 | 57.8 | -175.4 | -50.5 | 125.2 | 0 | 0 | 0 | 112.1 | S587 Y590 C595 | H572-S587 WeakPolarHBondContact O-CB 3.48Å; H572-S587 PolarHBondContact O-N 2.82Å; H572-S587 PolarHBondContact O-OG 2.82Å; H572-Y590 HydrophobicContact CB-CD1 4.19Å; H572-Y590 HydrophobicContact CB-CD2 3.15Å; H572-Y590 HydrophobicContact CB-CE1 4.46Å; H572-Y590 HydrophobicContact CB-CE2 3.43Å; H572-Y590 VanDerWaalsContact CB-CE2 3.43Å; H572-Y590 HydrophobicContact CB-CG 3.58Å; H572-Y590 AromaticContact CE1-CE1 3.97Å; H572-Y590 AromaticContact CE1-CZ 3.98Å; H572-Y590 AromaticContact CG-CD2 3.76Å; H572-Y590 AromaticContact CG-CE2 3.56Å; H572-Y590 AromaticContact CG-CZ 3.81Å; H572-Y590 AromaticContact ND1-CD1 3.59Å; H572-Y590 AromaticContact ND1-CD2 3.99Å; H572-Y590 AromaticContact ND1-CE1 3.41Å; H572-Y590 WeakPolarHBondContact ND1-CE1 3.45Å; H572-Y590 AromaticContact ND1-CE2 3.76Å; H572-Y590 AromaticContact ND1-CG 3.92Å; H572-Y590 AromaticContact ND1-CZ 3.53Å; H572-C595 HydrophobicContact CB-CB 4.35Å; H572-C595 PolarHBondContact ND1-O 2.88Å; H572-C595 WeakPolarHBondContact O-CB 3.33Å |
| 573 | G | 75.6 | Confident | 74.3 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.2 | 171.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C570 L585 | C570-G573 WeakPolarHBondContact CB-O 3.02Å; G573-L585 CarbonylContact C-O 3.58Å; G573-L585 VanDerWaalsContact CA-O 3.3Å; G573-L585 WeakPolarHBondContact CA-O 3.45Å |
| 574 | F | 78.1 | Confident | 74.9 | Confident | 144 Ų | 144 | 67.7 Ų | 67.7 | 63% | 0.632 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.1 | 175.1 | -69 | -83.5 | 0 | 0 | 0 | 110 | Y576 L585 | F574-Y576 HydrophobicContact CB-CE2 3.98Å; F574-L585 PolarHBondContact N-O 2.95Å; F574-L585 PolarHBondContact O-N 3.05Å |
| 575 | C | 79.5 | Confident | 75 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.6 | 177.4 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | C565 C570 | C565-C575 WeakPolarHBondContact CA-SG 3.34Å; C565-C575 HydrophobicContact CB-CB 3.57Å; C565-C575 WeakPolarHBondContact CB-SG 3.37Å; C565-C575 WeakPolarHBondContact SG-CB 3.45Å; C565-C575 CovalentContact SG-SG 2.02Å; C565-C575 PolarHBondContact SG-SG 3.2Å; C570-C575 HydrophobicContact CB-CB 4.36Å; C570-C575 WeakPolarHBondContact SG-CA 3.4Å; C570-C575 WeakPolarHBondContact SG-CB 3.47Å |
| 576 | Y | 78.9 | Confident | 75.4 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 42% | 0.416 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.8 | 170.9 | -71.6 | -87.2 | 0 | 0 | 0 | 109.7 | F574 F582 Y583 L585 | F574-Y576 HydrophobicContact CB-CE2 3.98Å; Y576-F582 WeakPolarHBondContact O-CA 3.37Å; Y576-Y583 VanDerWaalsContact CB-CZ 3.47Å; Y576-Y583 HydrophobicContact CD2-CE2 4.08Å; Y576-Y583 HydrophobicContact CG-CE1 4.17Å; Y576-Y583 HydrophobicContact CG-CE2 4.29Å; Y576-Y583 AromaticContact CG-CZ 3.8Å; Y576-Y583 PolarHBondContact N-O 3.33Å; Y576-Y583 PolarHBondContact O-N 2.04Å; Y576-L585 HydrophobicContact CD2-CB 3.8Å; Y576-L585 HydrophobicContact CE2-CB 3.54Å; Y576-L585 HydrophobicContact CE2-CD2 3.83Å; Y576-L585 HydrophobicContact CE2-CG 4.33Å |
| 577 | D | 75.3 | Confident | 75.4 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 34% | 0.337 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 132.8 | 174 | -177.9 | 45.8 | 0 | 0 | 0 | 110.7 | N561 D563 C565 | N561-D577 VanDerWaalsContact ND2-CG 3.26Å; N561-D577 PolarHBondContact ND2-OD1 3.4Å; N561-D577 VanDerWaalsContact ND2-OD1 3.15Å; N561-D577 PolarHBondContact ND2-OD2 3.14Å; D563-D577 WeakPolarHBondContact CA-OD1 3.44Å; C565-D577 PolarHBondContact SG-N 2.78Å; C565-D577 VanDerWaalsContact SG-N 3.42Å |
| 578 | V | 71.1 | Confident | 75.1 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 38% | 0.376 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 177.2 | 170.4 | -74.3 | 0 | 0 | 0 | 0 | 109.5 | N561 D580 G581 Y583 | N561-V578 PolarHBondContact ND2-O 3.18Å; V578-D580 PolarHBondContact O-N 2.88Å; V578-G581 CarbonylContact C-O 3.41Å; V578-G581 VanDerWaalsContact C-O 3.23Å; V578-G581 WeakPolarHBondContact CA-O 3.08Å; V578-G581 WeakPolarHBondContact CG2-O 3.37Å; V578-G581 PolarHBondContact N-O 2.96Å; V578-G581 VanDerWaalsContact N-O 3.09Å; V578-Y583 HydrophobicContact CG1-CD1 3.72Å; V578-Y583 HydrophobicContact CG1-CE1 3.84Å; V578-Y583 HydrophobicContact CG2-CD1 4.2Å |
| 579 | V | 68.8 | Low | 74.9 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 121.2 | -179.4 | 172.2 | 0 | 0 | 0 | 0 | 109.6 | F553 N561 | F553-V579 HydrophobicContact CD2-CG1 4.27Å; F553-V579 HydrophobicContact CE1-CG1 4.3Å; F553-V579 HydrophobicContact CE1-CG2 4.17Å; F553-V579 HydrophobicContact CE2-CG1 3.28Å; F553-V579 HydrophobicContact CZ-CB 4.12Å; F553-V579 HydrophobicContact CZ-CG1 3.3Å; F553-V579 HydrophobicContact CZ-CG2 3.67Å; N561-V579 WeakPolarHBondContact OD1-CG2 3.34Å |
| 580 | D | 67.1 | Low | 74.8 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 45.4 | -179.4 | -160.8 | 17.4 | 0 | 0 | 0 | 113.2 | Q551 G552 V578 | Q551-D580 VanDerWaalsContact CB-CG 3.41Å; Q551-D580 WeakPolarHBondContact CB-OD1 3.39Å; Q551-D580 WeakPolarHBondContact CB-OD2 3.34Å; Q551-D580 PolarHBondContact NE2-OD2 3.1Å; G552-D580 VanDerWaalsContact CA-CA 3.47Å; G552-D580 PolarHBondContact N-OD1 2.84Å; V578-D580 PolarHBondContact O-N 2.88Å |
| 581 | G | 69.7 | Low | 74.2 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.5 | 173.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | E564 V578 | E564-G581 VanDerWaalsContact OE2-C 3.23Å; E564-G581 WeakPolarHBondContact OE2-CA 3.39Å; E564-G581 PolarHBondContact OE2-N 3Å; V578-G581 CarbonylContact C-O 3.41Å; V578-G581 VanDerWaalsContact C-O 3.23Å; V578-G581 WeakPolarHBondContact CA-O 3.08Å; V578-G581 WeakPolarHBondContact CG2-O 3.37Å; V578-G581 PolarHBondContact N-O 2.96Å; V578-G581 VanDerWaalsContact N-O 3.09Å |
| 582 | F | 77.2 | Confident | 73.9 | Confident | 63 Ų | 63 | 60.8 Ų | 60.8 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 159.4 | 170.6 | 61.3 | -82.6 | 0 | 0 | 0 | 109.2 | E564 P569 Y576 R594 | E564-F582 HydrophobicContact CB-CB 4.2Å; E564-F582 HydrophobicContact CB-CD1 3.88Å; E564-F582 HydrophobicContact CB-CG 4.49Å; P569-F582 HydrophobicContact CB-CD1 4.23Å; P569-F582 HydrophobicContact CB-CD2 4.2Å; P569-F582 HydrophobicContact CB-CE1 3.82Å; P569-F582 HydrophobicContact CB-CE2 3.81Å; P569-F582 HydrophobicContact CB-CG 4.42Å; P569-F582 HydrophobicContact CB-CZ 3.61Å; P569-F582 HydrophobicContact CG-CD1 3.84Å; P569-F582 HydrophobicContact CG-CD2 3.65Å; P569-F582 HydrophobicContact CG-CE1 3.96Å; P569-F582 HydrophobicContact CG-CE2 3.8Å; P569-F582 HydrophobicContact CG-CG 3.7Å; P569-F582 HydrophobicContact CG-CZ 3.95Å; Y576-F582 WeakPolarHBondContact O-CA 3.37Å; F582-R594 HydrophobicContact CE2-CG 3.63Å; F582-R594 HydrophobicContact CZ-CG 3.63Å |
| 583 | Y | 78.5 | Confident | 74 | Confident | 117 Ų | 117 | 64.2 Ų | 64.2 | 46% | 0.459 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137 | 160.4 | 80 | -85.8 | 0 | 0 | 0 | 110.2 | Y576 V578 | Y576-Y583 VanDerWaalsContact CB-CZ 3.47Å; Y576-Y583 HydrophobicContact CD2-CE2 4.08Å; Y576-Y583 HydrophobicContact CG-CE1 4.17Å; Y576-Y583 HydrophobicContact CG-CE2 4.29Å; Y576-Y583 AromaticContact CG-CZ 3.8Å; Y576-Y583 PolarHBondContact N-O 3.33Å; Y576-Y583 PolarHBondContact O-N 2.04Å; V578-Y583 HydrophobicContact CG1-CD1 3.72Å; V578-Y583 HydrophobicContact CG1-CE1 3.84Å; V578-Y583 HydrophobicContact CG2-CD1 4.2Å |
| 584 | C | 82.4 | Confident | 74.3 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123 | 176.7 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | C570 C586 L593 R594 C595 | C570-C584 VanDerWaalsContact CA-SG 3.51Å; C570-C584 HydrophobicContact CB-CB 3.78Å; C570-C584 WeakPolarHBondContact CB-SG 3.45Å; C570-C584 VanDerWaalsContact SG-CA 3.55Å; C570-C584 WeakPolarHBondContact SG-CB 3.24Å; C570-C584 CovalentContact SG-SG 2.01Å; C570-C584 PolarHBondContact SG-SG 3.26Å; C584-C586 PolarHBondContact O-N 3.01Å; C584-L593 PolarHBondContact SG-O 3.17Å; C584-R594 VanDerWaalsContact SG-CA 3.57Å; C584-C595 WeakPolarHBondContact CB-SG 3.49Å |
| 585 | L | 78.3 | Confident | 74.3 | Confident | 95 Ų | 95 | 61.4 Ų | 61.4 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 98.6 | 162 | -174.2 | 72 | 0 | 0 | 0 | 107.1 | G573 F574 Y576 | G573-L585 CarbonylContact C-O 3.58Å; G573-L585 VanDerWaalsContact CA-O 3.3Å; G573-L585 WeakPolarHBondContact CA-O 3.45Å; F574-L585 PolarHBondContact N-O 2.95Å; F574-L585 PolarHBondContact O-N 3.05Å; Y576-L585 HydrophobicContact CD2-CB 3.8Å; Y576-L585 HydrophobicContact CE2-CB 3.54Å; Y576-L585 HydrophobicContact CE2-CD2 3.83Å; Y576-L585 HydrophobicContact CE2-CG 4.33Å |
| 586 | C | 80.1 | Confident | 74.2 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 140.1 | -177.6 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | C584 Y590 C595 | C584-C586 PolarHBondContact O-N 3.01Å; C586-Y590 WeakPolarHBondContact CB-O 3.47Å; C586-C595 WeakPolarHBondContact CA-SG 3.5Å; C586-C595 HydrophobicContact CB-CB 3.77Å; C586-C595 WeakPolarHBondContact CB-SG 3.33Å; C586-C595 PolarHBondContact N-SG 2.04Å; C586-C595 WeakPolarHBondContact SG-CA 3.45Å; C586-C595 WeakPolarHBondContact SG-CB 3.47Å; C586-C595 CovalentContact SG-SG 2.03Å; C586-C595 PolarHBondContact SG-SG 3.13Å |
| 587 | S | 72.8 | Confident | 74 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 144 | 160.2 | -65.1 | 0 | 0 | 0 | 0 | 107.7 | H572 G589 Y590 | H572-S587 WeakPolarHBondContact O-CB 3.48Å; H572-S587 PolarHBondContact O-N 2.82Å; H572-S587 PolarHBondContact O-OG 2.82Å; S587-G589 PolarHBondContact O-N 2.94Å; S587-Y590 PolarHBondContact O-N 2.81Å; S587-Y590 VanDerWaalsContact O-N 3.13Å |
| 588 | P | 64 | Low | 73.5 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 56% | 0.558 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 145.3 | -177.2 | -14.8 | 25.8 | 0 | 0 | 0 | 109.6 | H617 Q618 | P588-H617 PolarHBondContact O-CE1 3.38Å; P588-Q618 VanDerWaalsContact C-CG 3.4Å; P588-Q618 HydrophobicContact CB-CG 4.04Å; P588-Q618 VanDerWaalsContact O-CD 3.26Å; P588-Q618 WeakPolarHBondContact O-CG 3.39Å; P588-Q618 PolarHBondContact O-NE2 3.43Å |
| 589 | G | 63 | Low | 73.4 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -9.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S587 I599 | S587-G589 PolarHBondContact O-N 2.94Å; G589-I599 WeakPolarHBondContact O-CB 3.31Å; G589-I599 PolarHBondContact O-N 3.33Å |
| 590 | Y | 76.5 | Confident | 73.1 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 15% | 0.153 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 149.5 | 172.4 | -68 | -68.5 | 0 | 0 | 0 | 112.9 | H572 C586 S587 E597 D598 I599 H617 | H572-Y590 HydrophobicContact CB-CD1 4.19Å; H572-Y590 HydrophobicContact CB-CD2 3.15Å; H572-Y590 HydrophobicContact CB-CE1 4.46Å; H572-Y590 HydrophobicContact CB-CE2 3.43Å; H572-Y590 VanDerWaalsContact CB-CE2 3.43Å; H572-Y590 HydrophobicContact CB-CG 3.58Å; H572-Y590 AromaticContact CE1-CE1 3.97Å; H572-Y590 AromaticContact CE1-CZ 3.98Å; H572-Y590 AromaticContact CG-CD2 3.76Å; H572-Y590 AromaticContact CG-CE2 3.56Å; H572-Y590 AromaticContact CG-CZ 3.81Å; H572-Y590 AromaticContact ND1-CD1 3.59Å; H572-Y590 AromaticContact ND1-CD2 3.99Å; H572-Y590 AromaticContact ND1-CE1 3.41Å; H572-Y590 WeakPolarHBondContact ND1-CE1 3.45Å; H572-Y590 AromaticContact ND1-CE2 3.76Å; H572-Y590 AromaticContact ND1-CG 3.92Å; H572-Y590 AromaticContact ND1-CZ 3.53Å; C586-Y590 WeakPolarHBondContact CB-O 3.47Å; S587-Y590 PolarHBondContact O-N 2.81Å; S587-Y590 VanDerWaalsContact O-N 3.13Å; Y590-E597 WeakPolarHBondContact CA-O 3.26Å; Y590-D598 HydrophobicContact CD1-CB 4.47Å; Y590-D598 HydrophobicContact CE1-CB 4.26Å; Y590-D598 VanDerWaalsContact CE1-CG 3.47Å; Y590-D598 WeakPolarHBondContact CE1-OD1 3.05Å; Y590-I599 WeakPolarHBondContact O-CD1 3.47Å; Y590-H617 AromaticContact CD2-CE1 3.34Å; Y590-H617 WeakPolarHBondContact CD2-CE1 3.08Å; Y590-H617 AromaticContact CD2-ND1 3.64Å; Y590-H617 AromaticContact CE2-CE1 3.03Å; Y590-H617 WeakPolarHBondContact CE2-CE1 3.46Å; Y590-H617 AromaticContact CE2-CG 3.97Å; Y590-H617 AromaticContact CE2-ND1 3.09Å; Y590-H617 WeakPolarHBondContact CE2-ND1 3.42Å; Y590-H617 AromaticContact CE2-NE2 3.88Å; Y590-H617 AromaticContact CZ-CE1 3.9Å; Y590-H617 AromaticContact CZ-ND1 3.46Å |
| 591 | A | 68.6 | Low | 73.2 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | -173.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | C595 E596 E597 I599 | A591-C595 CarbonylContact O-C 3.52Å; A591-C595 VanDerWaalsContact O-C 3.31Å; A591-C595 WeakPolarHBondContact O-CA 3.36Å; A591-E596 PolarHBondContact O-N 2.84Å; A591-E597 PolarHBondContact N-O 2.03Å; A591-E597 WeakPolarHBondContact O-CB 3.19Å; A591-E597 PolarHBondContact O-N 2.89Å; A591-I599 HydrophobicContact CB-CD1 3.94Å; A591-I599 HydrophobicContact CB-CG1 3.47Å; A591-I599 VanDerWaalsContact CB-CG1 3.47Å |
| 592 | G | 72.4 | Confident | 73.2 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 88.8 | 166.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R594 C595 | G592-R594 PolarHBondContact O-N 3.06Å; G592-C595 PolarHBondContact O-N 2.97Å |
| 593 | L | 75.6 | Confident | 72.8 | Confident | 156 Ų | 156 | 64.7 Ų | 64.7 | 82% | 0.817 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.5 | -174 | -67 | 171.3 | 0 | 0 | 0 | 113.1 | C584 E596 | C584-L593 PolarHBondContact SG-O 3.17Å; L593-E596 PolarHBondContact N-OE2 3.33Å |
| 594 | R | 81.9 | Confident | 71.9 | Confident | 107 Ų | 107 | 66.6 Ų | 66.6 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 13.8 | 175.9 | -70.7 | 176.5 | -59.1 | -177.9 | 8.2 | 113.4 | P569 C570 F571 F582 C584 G592 E596 | P569-R594 VanDerWaalsContact O-CB 3.24Å; P569-R594 WeakPolarHBondContact O-CB 3.5Å; P569-R594 VanDerWaalsContact O-CD 3.26Å; P569-R594 WeakPolarHBondContact O-CD 3.31Å; P569-R594 WeakPolarHBondContact O-CG 3.44Å; C570-R594 CarbonylContact C-O 3.42Å; C570-R594 WeakPolarHBondContact CA-O 3.42Å; F571-R594 HydrophobicContact CD2-CB 4.01Å; F571-R594 HydrophobicContact CE2-CB 4.25Å; F571-R594 PolarHBondContact N-O 2.9Å; F582-R594 HydrophobicContact CE2-CG 3.63Å; F582-R594 HydrophobicContact CZ-CG 3.63Å; C584-R594 VanDerWaalsContact SG-CA 3.57Å; G592-R594 PolarHBondContact O-N 3.06Å; R594-E596 WeakPolarHBondContact CA-OE2 3.08Å; R594-E596 WeakPolarHBondContact CB-OE2 3.35Å; R594-E596 IonicContact CZ-OE1 2.92Å; R594-E596 PolarHBondContact N-OE2 3.3Å; R594-E596 IonicContact NE-OE1 2.91Å; R594-E596 PolarHBondContact NE-OE1 3.47Å; R594-E596 IonicContact NH2-OE1 2.68Å; R594-E596 PolarHBondContact NH2-OE1 3.09Å; R594-E596 PolarHBondContact O-N 3.47Å |
| 595 | C | 78.6 | Confident | 71 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 57.4 | 34.2 | -171.5 | -45.6 | 0 | 0 | 0 | 0 | 111.9 | H572 C584 C586 A591 G592 | H572-C595 HydrophobicContact CB-CB 4.35Å; H572-C595 PolarHBondContact ND1-O 2.88Å; H572-C595 WeakPolarHBondContact O-CB 3.33Å; C584-C595 WeakPolarHBondContact CB-SG 3.49Å; C586-C595 WeakPolarHBondContact CA-SG 3.5Å; C586-C595 HydrophobicContact CB-CB 3.77Å; C586-C595 WeakPolarHBondContact CB-SG 3.33Å; C586-C595 PolarHBondContact N-SG 2.04Å; C586-C595 WeakPolarHBondContact SG-CA 3.45Å; C586-C595 WeakPolarHBondContact SG-CB 3.47Å; C586-C595 CovalentContact SG-SG 2.03Å; C586-C595 PolarHBondContact SG-SG 3.13Å; A591-C595 CarbonylContact O-C 3.52Å; A591-C595 VanDerWaalsContact O-C 3.31Å; A591-C595 WeakPolarHBondContact O-CA 3.36Å; G592-C595 PolarHBondContact O-N 2.97Å |
| 596 | E | 77.5 | Confident | 70.7 | Confident | 73 Ų | 73 | 68.7 Ų | 68.7 | 34% | 0.341 | 38% | 0.38 | S | S | . | . | trans | -88.7 | -13.5 | 179 | 70.8 | -96.7 | -100.3 | 0 | 0 | 113.5 | F571 A591 L593 R594 | F571-E596 HydrophobicContact CD2-CB 3.71Å; F571-E596 HydrophobicContact CE2-CB 4.03Å; A591-E596 PolarHBondContact O-N 2.84Å; L593-E596 PolarHBondContact N-OE2 3.33Å; R594-E596 WeakPolarHBondContact CA-OE2 3.08Å; R594-E596 WeakPolarHBondContact CB-OE2 3.35Å; R594-E596 IonicContact CZ-OE1 2.92Å; R594-E596 PolarHBondContact N-OE2 3.3Å; R594-E596 IonicContact NE-OE1 2.91Å; R594-E596 PolarHBondContact NE-OE1 3.47Å; R594-E596 IonicContact NH2-OE1 2.68Å; R594-E596 PolarHBondContact NH2-OE1 3.09Å; R594-E596 PolarHBondContact O-N 3.47Å | ||
| 597 | E | 75.3 | Confident | 70.3 | Confident | 119 Ų | 119 | 68.2 Ų | 68.2 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.8 | 178.6 | -51.8 | -177.5 | 152.4 | 0 | 0 | 108.2 | Y590 A591 | Y590-E597 WeakPolarHBondContact CA-O 3.26Å; A591-E597 PolarHBondContact N-O 2.03Å; A591-E597 WeakPolarHBondContact O-CB 3.19Å; A591-E597 PolarHBondContact O-N 2.89Å |
| 598 | D | 64.3 | Low | 70.2 | Confident | 78 Ų | 78 | 67.4 Ų | 67.4 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 133.4 | 162.5 | -122 | -31.1 | 0 | 0 | 0 | 107.6 | Y590 D600 | Y590-D598 HydrophobicContact CD1-CB 4.47Å; Y590-D598 HydrophobicContact CE1-CB 4.26Å; Y590-D598 VanDerWaalsContact CE1-CG 3.47Å; Y590-D598 WeakPolarHBondContact CE1-OD1 3.05Å; D598-D600 PolarHBondContact O-N 3.1Å; D598-D600 VanDerWaalsContact O-N 3.16Å |
| 599 | I | 67.9 | Low | 70.6 | Confident | 72 Ų | 72 | 69 Ų | 69 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | trans | -75.3 | 105.3 | 168 | -63.3 | 174 | 0 | 0 | 0 | 105.5 | G589 Y590 A591 D601 | G589-I599 WeakPolarHBondContact O-CB 3.31Å; G589-I599 PolarHBondContact O-N 3.33Å; Y590-I599 WeakPolarHBondContact O-CD1 3.47Å; A591-I599 HydrophobicContact CB-CD1 3.94Å; A591-I599 HydrophobicContact CB-CG1 3.47Å; A591-I599 VanDerWaalsContact CB-CG1 3.47Å; I599-D601 VanDerWaalsContact C-N 3.31Å; I599-D601 PolarHBondContact O-N 3.46Å | ||
| 600 | D | 64.1 | Low | 71 | Confident | 78 Ų | 78 | 71.2 Ų | 71.2 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | trans | -56.3 | 95.3 | 174.1 | -179.8 | -0.4 | 0 | 0 | 0 | 109.7 | D598 C602 V603 | D598-D600 PolarHBondContact O-N 3.1Å; D598-D600 VanDerWaalsContact O-N 3.16Å; D600-C602 PolarHBondContact O-N 3.25Å; D600-C602 WeakPolarHBondContact OD1-CB 3.25Å; D600-C602 PolarHBondContact OD1-N 2.77Å; D600-V603 HydrophobicContact CB-CG2 3.99Å; D600-V603 WeakPolarHBondContact O-CG2 3.02Å; D600-V603 PolarHBondContact O-N 3.09Å | ||
| 601 | D | 69 | Low | 70.9 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 24% | 0.235 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -5.8 | -176 | -90.3 | -43.2 | 0 | 0 | 0 | 110.4 | I599 D615 Q618 S619 Y620 | I599-D601 VanDerWaalsContact C-N 3.31Å; I599-D601 PolarHBondContact O-N 3.46Å; D601-D615 PolarHBondContact N-OD1 2.97Å; D601-Q618 WeakPolarHBondContact OD2-CA 3.27Å; D601-Q618 PolarHBondContact OD2-N 3Å; D601-S619 PolarHBondContact OD2-N 2.89Å; D601-Y620 HydrophobicContact CB-CD1 4.2Å; D601-Y620 WeakPolarHBondContact O-CD1 3.05Å |
| 602 | C | 70.1 | Confident | 71.4 | Confident | 23 Ų | 23 | 73.1 Ų | 73.1 | 16% | 0.155 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -18.1 | 174.4 | -63.9 | 0 | 0 | 0 | 0 | 115.3 | D600 D604 S605 C613 | D600-C602 PolarHBondContact O-N 3.25Å; D600-C602 WeakPolarHBondContact OD1-CB 3.25Å; D600-C602 PolarHBondContact OD1-N 2.77Å; C602-D604 VanDerWaalsContact C-N 3.3Å; C602-D604 PolarHBondContact O-N 2.87Å; C602-S605 WeakPolarHBondContact O-CB 3.48Å; C602-S605 PolarHBondContact O-N 3.49Å; C602-S605 VanDerWaalsContact O-N 3.1Å; C602-S605 PolarHBondContact O-OG 3.42Å; C602-C613 WeakPolarHBondContact CA-SG 3.02Å; C602-C613 HydrophobicContact CB-CB 3.65Å; C602-C613 WeakPolarHBondContact CB-SG 3.41Å; C602-C613 WeakPolarHBondContact SG-CB 3.35Å; C602-C613 CovalentContact SG-SG 2.03Å; C602-C613 PolarHBondContact SG-SG 2.83Å |
| 603 | V | 68.3 | Low | 71.5 | Confident | 110 Ų | 110 | 73.4 Ų | 73.4 | 67% | 0.667 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -32.5 | -172.1 | 178.6 | 0 | 0 | 0 | 0 | 113.5 | D600 | D600-V603 HydrophobicContact CB-CG2 3.99Å; D600-V603 WeakPolarHBondContact O-CG2 3.02Å; D600-V603 PolarHBondContact O-N 3.09Å |
| 604 | D | 59.9 | Low | 71.6 | Confident | 157 Ų | 157 | 71.3 Ų | 71.3 | 84% | 0.84 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 29.5 | 172.4 | -86 | -40.7 | 0 | 0 | 0 | 111.8 | C602 | C602-D604 VanDerWaalsContact C-N 3.3Å; C602-D604 PolarHBondContact O-N 2.87Å |
| 605 | S | 63.2 | Low | 70.7 | Confident | 36 Ų | 36 | 68.6 Ų | 68.6 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | trans | -65.1 | 144.4 | -176.6 | 56.2 | 0 | 0 | 0 | 0 | 114 | C602 C607 | C602-S605 WeakPolarHBondContact O-CB 3.48Å; C602-S605 PolarHBondContact O-N 3.49Å; C602-S605 VanDerWaalsContact O-N 3.1Å; C602-S605 PolarHBondContact O-OG 3.42Å; S605-C607 PolarHBondContact O-N 3.44Å | ||
| 606 | L | 71.5 | Confident | 69.9 | Low | 121 Ų | 121 | 71.8 Ų | 71.8 | 63% | 0.634 | 40% | 0.395 | S | S | * | . | trans | -83.5 | 9.8 | 172.8 | -62.4 | 171.2 | 0 | 0 | 0 | 112.7 | S608 Y620 Y632 | L606-S608 PolarHBondContact O-N 2.63Å; L606-Y620 WeakPolarHBondContact CB-OH 3.28Å; L606-Y620 WeakPolarHBondContact CG-OH 3.32Å; L606-Y620 PolarHBondContact N-OH 3.44Å; L606-Y632 HydrophobicContact CB-CD1 3.98Å; L606-Y632 HydrophobicContact CB-CE1 4.22Å; L606-Y632 HydrophobicContact CB-CG 4.35Å | ||
| 607 | C | 72.7 | Confident | 68.7 | Low | 23 Ų | 23 | 72 Ų | 72 | 16% | 0.155 | 40% | 0.396 | C | S | . | . | trans | -61 | 132.3 | -179.9 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | S605 S611 C613 Y620 C622 | S605-C607 PolarHBondContact O-N 3.44Å; C607-S611 WeakPolarHBondContact CB-OG 3.49Å; C607-C613 HydrophobicContact CB-CB 4.41Å; C607-Y620 VanDerWaalsContact SG-CD2 3.53Å; C607-C622 WeakPolarHBondContact CA-SG 3.03Å; C607-C622 HydrophobicContact CB-CB 3.91Å; C607-C622 WeakPolarHBondContact CB-SG 3.03Å; C607-C622 WeakPolarHBondContact SG-CB 3.05Å; C607-C622 CovalentContact SG-SG 2.04Å; C607-C622 PolarHBondContact SG-SG 3.39Å | ||
| 608 | S | 69.6 | Low | 67.8 | Low | 23 Ų | 23 | 71.2 Ų | 71.2 | 16% | 0.161 | 39% | 0.392 | C | S | . | . | trans | -59 | 144.8 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | L606 N610 S611 Y632 C633 | L606-S608 PolarHBondContact O-N 2.63Å; S608-N610 PolarHBondContact O-N 3.38Å; S608-S611 PolarHBondContact O-N 3.21Å; S608-S611 PolarHBondContact O-OG 2.94Å; S608-Y632 VanDerWaalsContact CB-O 3.3Å; S608-Y632 WeakPolarHBondContact CB-O 3.13Å; S608-Y632 PolarHBondContact N-O 3.08Å; S608-C633 WeakPolarHBondContact CB-O 3.43Å; S608-C633 PolarHBondContact OG-O 2.88Å | ||
| 609 | P | 73.4 | Confident | 67.6 | Low | 119 Ų | 119 | 70.3 Ų | 70.3 | 77% | 0.773 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -10.8 | 179.7 | 23.6 | -34.8 | 0 | 0 | 0 | 114.9 | S611 | P609-S611 VanDerWaalsContact C-N 3.29Å; P609-S611 PolarHBondContact O-N 3.32Å |
| 610 | N | 70.3 | Confident | 67.7 | Low | 57 Ų | 57 | 69.4 Ų | 69.4 | 31% | 0.305 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 33.4 | 173.1 | -58.4 | -22.3 | 0 | 0 | 0 | 112.2 | S608 Q625 W628 | S608-N610 PolarHBondContact O-N 3.38Å; N610-Q625 VanDerWaalsContact O-CB 3.27Å; N610-Q625 WeakPolarHBondContact O-CB 3.13Å; N610-Q625 VanDerWaalsContact O-CG 3.32Å; N610-Q625 WeakPolarHBondContact O-CG 3.47Å; N610-Q625 PolarHBondContact O-N 2.03Å; N610-Q625 VanDerWaalsContact O-N 3.08Å; N610-W628 HydrophobicContact CB-CD2 4.22Å; N610-W628 HydrophobicContact CB-CG 4.3Å; N610-W628 VanDerWaalsContact ND2-CE2 3.3Å; N610-W628 WeakPolarHBondContact ND2-CZ2 3.39Å |
| 611 | S | 73.9 | Confident | 68.3 | Low | 18 Ų | 18 | 69.4 Ų | 69.4 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 162.2 | 179 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | C607 S608 P609 V623 C633 | C607-S611 WeakPolarHBondContact CB-OG 3.49Å; S608-S611 PolarHBondContact O-N 3.21Å; S608-S611 PolarHBondContact O-OG 2.94Å; P609-S611 VanDerWaalsContact C-N 3.29Å; P609-S611 PolarHBondContact O-N 3.32Å; S611-V623 WeakPolarHBondContact CA-O 3.39Å; S611-V623 WeakPolarHBondContact CB-O 3.16Å; S611-C633 WeakPolarHBondContact CB-SG 3.48Å |
| 612 | V | 79.6 | Confident | 68.8 | Low | 93 Ų | 93 | 67.7 Ų | 67.7 | 56% | 0.564 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 111.7 | 171.9 | -179.2 | 0 | 0 | 0 | 0 | 107.1 | K614 V623 | V612-K614 PolarHBondContact O-N 3.36Å; V612-V623 PolarHBondContact N-O 3.27Å; V612-V623 WeakPolarHBondContact O-CB 3.31Å; V612-V623 PolarHBondContact O-N 2.04Å |
| 613 | C | 75 | Confident | 69.2 | Low | 34 Ų | 34 | 70 Ų | 70 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 129.4 | 172 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | C602 C607 Y620 | C602-C613 WeakPolarHBondContact CA-SG 3.02Å; C602-C613 HydrophobicContact CB-CB 3.65Å; C602-C613 WeakPolarHBondContact CB-SG 3.41Å; C602-C613 WeakPolarHBondContact SG-CB 3.35Å; C602-C613 CovalentContact SG-SG 2.03Å; C602-C613 PolarHBondContact SG-SG 2.83Å; C607-C613 HydrophobicContact CB-CB 4.41Å; C613-Y620 VanDerWaalsContact SG-CB 3.51Å |
| 614 | K | 76.8 | Confident | 69.6 | Low | 113 Ų | 113 | 66.7 Ų | 66.7 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.6 | 174 | -176.4 | -168.5 | 172.3 | -165.2 | 0 | 108.3 | V612 L616 D621 V623 | V612-K614 PolarHBondContact O-N 3.36Å; K614-L616 HydrophobicContact CD-CD2 4.49Å; K614-D621 PolarHBondContact N-O 2.85Å; K614-D621 PolarHBondContact O-N 2.96Å; K614-V623 HydrophobicContact CB-CG2 3.99Å |
| 615 | D | 64.1 | Low | 70.4 | Confident | 49 Ų | 49 | 64 Ų | 64 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 137.1 | 175.7 | -162.2 | 28.7 | 0 | 0 | 0 | 111.3 | D601 | D601-D615 PolarHBondContact N-OD1 2.97Å |
| 616 | L | 61 | Low | 70.8 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 157.5 | 170 | -49.8 | 167 | 0 | 0 | 0 | 108.2 | K614 Q618 S619 D621 | K614-L616 HydrophobicContact CD-CD2 4.49Å; L616-Q618 PolarHBondContact O-N 3.46Å; L616-S619 CarbonylContact C-O 3.19Å; L616-S619 VanDerWaalsContact C-O 3.28Å; L616-S619 VanDerWaalsContact CA-O 3.29Å; L616-S619 WeakPolarHBondContact CA-O 3.47Å; L616-S619 WeakPolarHBondContact CB-O 3.4Å; L616-S619 PolarHBondContact N-O 3.08Å; L616-S619 CarbonylContact O-C 3.56Å; L616-S619 PolarHBondContact O-N 3.08Å; L616-S619 VanDerWaalsContact O-N 3.12Å; L616-D621 HydrophobicContact CD1-CB 3.75Å; L616-D621 HydrophobicContact CG-CB 4.39Å |
| 617 | H | 52.2 | Low | 70.6 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 114.2 | 180 | -178.6 | 52.8 | 0 | 0 | 0 | 112.5 | P588 Y590 S619 | P588-H617 PolarHBondContact O-CE1 3.38Å; Y590-H617 AromaticContact CD2-CE1 3.34Å; Y590-H617 WeakPolarHBondContact CD2-CE1 3.08Å; Y590-H617 AromaticContact CD2-ND1 3.64Å; Y590-H617 AromaticContact CE2-CE1 3.03Å; Y590-H617 WeakPolarHBondContact CE2-CE1 3.46Å; Y590-H617 AromaticContact CE2-CG 3.97Å; Y590-H617 AromaticContact CE2-ND1 3.09Å; Y590-H617 WeakPolarHBondContact CE2-ND1 3.42Å; Y590-H617 AromaticContact CE2-NE2 3.88Å; Y590-H617 AromaticContact CZ-CE1 3.9Å; Y590-H617 AromaticContact CZ-ND1 3.46Å; H617-S619 VanDerWaalsContact C-N 3.29Å; H617-S619 PolarHBondContact O-N 2.8Å |
| 618 | Q | 57.2 | Low | 70.8 | Confident | 103 Ų | 103 | 62.3 Ų | 62.3 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 13 | -178.3 | -58.9 | 175 | 64.1 | 0 | 0 | 116 | P588 D601 L616 | P588-Q618 VanDerWaalsContact C-CG 3.4Å; P588-Q618 HydrophobicContact CB-CG 4.04Å; P588-Q618 VanDerWaalsContact O-CD 3.26Å; P588-Q618 WeakPolarHBondContact O-CG 3.39Å; P588-Q618 PolarHBondContact O-NE2 3.43Å; D601-Q618 WeakPolarHBondContact OD2-CA 3.27Å; D601-Q618 PolarHBondContact OD2-N 3Å; L616-Q618 PolarHBondContact O-N 3.46Å |
| 619 | S | 60.6 | Low | 70.8 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 42% | 0.42 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 150.3 | 176.5 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | D601 L616 H617 | D601-S619 PolarHBondContact OD2-N 2.89Å; L616-S619 CarbonylContact C-O 3.19Å; L616-S619 VanDerWaalsContact C-O 3.28Å; L616-S619 VanDerWaalsContact CA-O 3.29Å; L616-S619 WeakPolarHBondContact CA-O 3.47Å; L616-S619 WeakPolarHBondContact CB-O 3.4Å; L616-S619 PolarHBondContact N-O 3.08Å; L616-S619 CarbonylContact O-C 3.56Å; L616-S619 PolarHBondContact O-N 3.08Å; L616-S619 VanDerWaalsContact O-N 3.12Å; H617-S619 VanDerWaalsContact C-N 3.29Å; H617-S619 PolarHBondContact O-N 2.8Å |
| 620 | Y | 69.8 | Low | 70.5 | Confident | 52 Ų | 52 | 60.3 Ų | 60.3 | 20% | 0.204 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 144.3 | 168.5 | 56.4 | -89.2 | 0 | 0 | 0 | 112 | D601 L606 C607 C613 Y632 | D601-Y620 HydrophobicContact CB-CD1 4.2Å; D601-Y620 WeakPolarHBondContact O-CD1 3.05Å; L606-Y620 WeakPolarHBondContact CB-OH 3.28Å; L606-Y620 WeakPolarHBondContact CG-OH 3.32Å; L606-Y620 PolarHBondContact N-OH 3.44Å; C607-Y620 VanDerWaalsContact SG-CD2 3.53Å; C613-Y620 VanDerWaalsContact SG-CB 3.51Å; Y620-Y632 AromaticContact CE2-CD1 3.89Å; Y620-Y632 HydrophobicContact CE2-CD1 3.89Å; Y620-Y632 AromaticContact CE2-CE1 3.79Å; Y620-Y632 HydrophobicContact CE2-CE1 3.79Å; Y620-Y632 AromaticContact CZ-CE1 3.94Å; Y620-Y632 WeakPolarHBondContact OH-CE1 3.02Å |
| 621 | D | 76.8 | Confident | 70.6 | Confident | 79 Ų | 79 | 65 Ų | 65 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 118.1 | 170.5 | -175.7 | 32 | 0 | 0 | 0 | 109.7 | K614 L616 V623 | K614-D621 PolarHBondContact N-O 2.85Å; K614-D621 PolarHBondContact O-N 2.96Å; L616-D621 HydrophobicContact CD1-CB 3.75Å; L616-D621 HydrophobicContact CG-CB 4.39Å; D621-V623 PolarHBondContact O-N 3.06Å |
| 622 | C | 78.9 | Confident | 70.8 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 98.9 | 176.3 | -54.3 | 0 | 0 | 0 | 0 | 108.7 | C607 C624 C633 | C607-C622 WeakPolarHBondContact CA-SG 3.03Å; C607-C622 HydrophobicContact CB-CB 3.91Å; C607-C622 WeakPolarHBondContact CB-SG 3.03Å; C607-C622 WeakPolarHBondContact SG-CB 3.05Å; C607-C622 CovalentContact SG-SG 2.04Å; C607-C622 PolarHBondContact SG-SG 3.39Å; C622-C624 PolarHBondContact O-N 2.86Å; C622-C633 PolarHBondContact O-SG 3.44Å |
| 623 | V | 79 | Confident | 70.6 | Confident | 71 Ų | 71 | 62.9 Ų | 62.9 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 101.6 | 175 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | S611 V612 K614 D621 | S611-V623 WeakPolarHBondContact CA-O 3.39Å; S611-V623 WeakPolarHBondContact CB-O 3.16Å; V612-V623 PolarHBondContact N-O 3.27Å; V612-V623 WeakPolarHBondContact O-CB 3.31Å; V612-V623 PolarHBondContact O-N 2.04Å; K614-V623 HydrophobicContact CB-CG2 3.99Å; D621-V623 PolarHBondContact O-N 3.06Å |
| 624 | C | 76.8 | Confident | 70.5 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 28% | 0.284 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 140.7 | -176.5 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | C622 W628 C633 | C622-C624 PolarHBondContact O-N 2.86Å; C624-W628 HydrophobicContact CB-CB 4.08Å; C624-W628 WeakPolarHBondContact CB-O 3.43Å; C624-C633 WeakPolarHBondContact CA-SG 3.49Å; C624-C633 HydrophobicContact CB-CB 3.78Å; C624-C633 WeakPolarHBondContact CB-SG 3.39Å; C624-C633 PolarHBondContact N-SG 2.05Å; C624-C633 VanDerWaalsContact SG-CA 3.5Å; C624-C633 WeakPolarHBondContact SG-CB 3.37Å; C624-C633 CovalentContact SG-SG 2.03Å; C624-C633 PolarHBondContact SG-SG 3.38Å |
| 625 | Q | 75.4 | Confident | 70.3 | Confident | 99 Ų | 99 | 68.4 Ų | 68.4 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 156.5 | 163.4 | -64.3 | 174.1 | 12.5 | 0 | 0 | 109 | N610 G627 W628 | N610-Q625 VanDerWaalsContact O-CB 3.27Å; N610-Q625 WeakPolarHBondContact O-CB 3.13Å; N610-Q625 VanDerWaalsContact O-CG 3.32Å; N610-Q625 WeakPolarHBondContact O-CG 3.47Å; N610-Q625 PolarHBondContact O-N 2.03Å; N610-Q625 VanDerWaalsContact O-N 3.08Å; Q625-G627 PolarHBondContact O-N 3.41Å; Q625-W628 PolarHBondContact O-N 3.21Å |
| 626 | S | 72.6 | Confident | 70.5 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 139.1 | 179.7 | -42.5 | 0 | 0 | 0 | 0 | 111.7 | D656 | S626-D656 VanDerWaalsContact CB-CG 3.47Å; S626-D656 WeakPolarHBondContact CB-OD1 3.4Å |
| 627 | G | 66.6 | Low | 71 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 6.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q625 E636 I637 D656 | Q625-G627 PolarHBondContact O-N 3.41Å; G627-E636 WeakPolarHBondContact O-CA 3.45Å; G627-I637 PolarHBondContact O-N 3.25Å; G627-D656 PolarHBondContact N-OD1 2.84Å |
| 628 | W | 76.7 | Confident | 72.1 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.2 | 179.2 | -63.7 | 80.1 | 0 | 0 | 0 | 113.6 | N610 C624 Q625 C633 R635 L655 | N610-W628 HydrophobicContact CB-CD2 4.22Å; N610-W628 HydrophobicContact CB-CG 4.3Å; N610-W628 VanDerWaalsContact ND2-CE2 3.3Å; N610-W628 WeakPolarHBondContact ND2-CZ2 3.39Å; C624-W628 HydrophobicContact CB-CB 4.08Å; C624-W628 WeakPolarHBondContact CB-O 3.43Å; Q625-W628 PolarHBondContact O-N 3.21Å; W628-C633 HydrophobicContact CB-CB 4.37Å; W628-R635 CarbonylContact C-O 3.39Å; W628-R635 WeakPolarHBondContact CA-O 3.47Å; W628-L655 HydrophobicContact CZ2-CD1 3.72Å |
| 629 | E | 70.9 | Confident | 73.1 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 175.1 | -178.8 | 60.7 | 161.3 | -162.6 | 0 | 0 | 113.5 | C633 Q634 R635 I637 | E629-C633 WeakPolarHBondContact O-CA 3.01Å; E629-Q634 PolarHBondContact O-N 2.95Å; E629-R635 HydrophobicContact CG-CB 4.35Å; E629-R635 PolarHBondContact N-O 2.93Å; E629-R635 PolarHBondContact O-N 3.1Å; E629-R635 IonicContact OE1-CZ 2.66Å; E629-R635 IonicContact OE1-NE 2.86Å; E629-R635 PolarHBondContact OE1-NE 3.31Å; E629-R635 IonicContact OE1-NH2 3.2Å; E629-R635 PolarHBondContact OE1-NH2 2.03Å; E629-R635 IonicContact OE2-NH2 3.19Å; E629-I637 HydrophobicContact CB-CD1 4.33Å; E629-I637 HydrophobicContact CB-CG1 3.65Å; E629-I637 HydrophobicContact CG-CB 4.47Å; E629-I637 HydrophobicContact CG-CG1 3.64Å |
| 630 | G | 66.1 | Low | 73.8 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 92.1 | 159.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y632 C633 | G630-Y632 PolarHBondContact O-N 3.21Å; G630-C633 PolarHBondContact O-N 3.17Å |
| 631 | K | 72.9 | Confident | 74.2 | Confident | 156 Ų | 156 | 66.9 Ų | 66.9 | 68% | 0.678 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -23.7 | -171.6 | -172.8 | 176.6 | 179.2 | -173.3 | 0 | 114.9 | ||
| 632 | Y | 78.4 | Confident | 73.9 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 26% | 0.259 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 16.6 | -179.6 | -54 | -66.8 | 0 | 0 | 0 | 112.4 | L606 S608 Y620 G630 Q634 | L606-Y632 HydrophobicContact CB-CD1 3.98Å; L606-Y632 HydrophobicContact CB-CE1 4.22Å; L606-Y632 HydrophobicContact CB-CG 4.35Å; S608-Y632 VanDerWaalsContact CB-O 3.3Å; S608-Y632 WeakPolarHBondContact CB-O 3.13Å; S608-Y632 PolarHBondContact N-O 3.08Å; Y620-Y632 AromaticContact CE2-CD1 3.89Å; Y620-Y632 HydrophobicContact CE2-CD1 3.89Å; Y620-Y632 AromaticContact CE2-CE1 3.79Å; Y620-Y632 HydrophobicContact CE2-CE1 3.79Å; Y620-Y632 AromaticContact CZ-CE1 3.94Å; Y620-Y632 WeakPolarHBondContact OH-CE1 3.02Å; G630-Y632 PolarHBondContact O-N 3.21Å; Y632-Q634 PolarHBondContact O-N 2.99Å |
| 633 | C | 74.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 53 | 35.5 | -174.3 | -48.9 | 0 | 0 | 0 | 0 | 113 | S608 S611 C622 C624 W628 E629 G630 | S608-C633 WeakPolarHBondContact CB-O 3.43Å; S608-C633 PolarHBondContact OG-O 2.88Å; S611-C633 WeakPolarHBondContact CB-SG 3.48Å; C622-C633 PolarHBondContact O-SG 3.44Å; C624-C633 WeakPolarHBondContact CA-SG 3.49Å; C624-C633 HydrophobicContact CB-CB 3.78Å; C624-C633 WeakPolarHBondContact CB-SG 3.39Å; C624-C633 PolarHBondContact N-SG 2.05Å; C624-C633 VanDerWaalsContact SG-CA 3.5Å; C624-C633 WeakPolarHBondContact SG-CB 3.37Å; C624-C633 CovalentContact SG-SG 2.03Å; C624-C633 PolarHBondContact SG-SG 3.38Å; W628-C633 HydrophobicContact CB-CB 4.37Å; E629-C633 WeakPolarHBondContact O-CA 3.01Å; G630-C633 PolarHBondContact O-N 3.17Å |
| 634 | Q | 73.2 | Confident | 73.4 | Confident | 112 Ų | 112 | 70.3 Ų | 70.3 | 52% | 0.523 | 36% | 0.362 | S | S | . | . | trans | -88.9 | -4.8 | -173 | 74.4 | -85.8 | 33.8 | 0 | 0 | 113.7 | E629 Y632 | E629-Q634 PolarHBondContact O-N 2.95Å; Y632-Q634 PolarHBondContact O-N 2.99Å | ||
| 635 | R | 71.9 | Confident | 73.5 | Confident | 151 Ų | 151 | 69.2 Ų | 69.2 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.1 | -178.1 | -163.4 | 168.4 | 73.2 | -162.7 | 6 | 109.2 | W628 E629 | W628-R635 CarbonylContact C-O 3.39Å; W628-R635 WeakPolarHBondContact CA-O 3.47Å; E629-R635 HydrophobicContact CG-CB 4.35Å; E629-R635 PolarHBondContact N-O 2.93Å; E629-R635 PolarHBondContact O-N 3.1Å; E629-R635 IonicContact OE1-CZ 2.66Å; E629-R635 IonicContact OE1-NE 2.86Å; E629-R635 PolarHBondContact OE1-NE 3.31Å; E629-R635 IonicContact OE1-NH2 3.2Å; E629-R635 PolarHBondContact OE1-NH2 2.03Å; E629-R635 IonicContact OE2-NH2 3.19Å |
| 636 | E | 70.1 | Confident | 73.5 | Confident | 77 Ų | 77 | 69 Ų | 69 | 36% | 0.36 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 144.8 | 166.5 | -179.9 | 173.2 | -138.5 | 0 | 0 | 109 | G627 D638 L655 | G627-E636 WeakPolarHBondContact O-CA 3.45Å; E636-D638 PolarHBondContact O-N 3.07Å; E636-L655 HydrophobicContact CG-CD1 4.21Å; E636-L655 VanDerWaalsContact OE1-CD1 3.29Å; E636-L655 WeakPolarHBondContact OE1-CD1 3.47Å |
| 637 | I | 71.8 | Confident | 73.4 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 28% | 0.277 | 34% | 0.339 | S | S | . | . | trans | -76.1 | 111.3 | 169.3 | -65.2 | 169.6 | 0 | 0 | 0 | 107 | G627 E629 E639 | G627-I637 PolarHBondContact O-N 3.25Å; E629-I637 HydrophobicContact CB-CD1 4.33Å; E629-I637 HydrophobicContact CB-CG1 3.65Å; E629-I637 HydrophobicContact CG-CB 4.47Å; E629-I637 HydrophobicContact CG-CG1 3.64Å; I637-E639 VanDerWaalsContact C-N 3.33Å; I637-E639 HydrophobicContact CG2-CG 3.89Å; I637-E639 PolarHBondContact O-N 2.82Å | ||
| 638 | D | 74.3 | Confident | 73.5 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 34% | 0.342 | 38% | 0.378 | S | S | . | . | trans | -72.4 | 93.1 | 165.9 | 178.5 | -28 | 0 | 0 | 0 | 107.6 | E636 C640 L641 D653 | E636-D638 PolarHBondContact O-N 3.07Å; D638-C640 PolarHBondContact O-N 3.44Å; D638-C640 WeakPolarHBondContact OD1-CA 3.17Å; D638-C640 WeakPolarHBondContact OD1-CB 2.96Å; D638-C640 PolarHBondContact OD1-N 2.89Å; D638-L641 HydrophobicContact CB-CD1 3.89Å; D638-L641 HydrophobicContact CB-CG 3.9Å; D638-L641 WeakPolarHBondContact O-CB 3.09Å; D638-L641 PolarHBondContact O-N 2.74Å; D638-L641 VanDerWaalsContact O-N 3.14Å; D638-L641 PolarHBondContact OD1-N 3.12Å; D638-D653 WeakPolarHBondContact CA-OD1 3.04Å | ||
| 639 | E | 77.7 | Confident | 73.4 | Confident | 31 Ų | 31 | 73.1 Ų | 73.1 | 15% | 0.145 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -65.9 | -19.7 | -177.8 | -80.5 | 103.9 | -157.5 | 0 | 0 | 111.6 | I637 L641 S642 P644 D653 G657 Y658 | I637-E639 VanDerWaalsContact C-N 3.33Å; I637-E639 HydrophobicContact CG2-CG 3.89Å; I637-E639 PolarHBondContact O-N 2.82Å; E639-L641 VanDerWaalsContact C-N 3.33Å; E639-L641 PolarHBondContact O-N 2.83Å; E639-S642 WeakPolarHBondContact O-CB 3.14Å; E639-S642 PolarHBondContact O-N 3.29Å; E639-S642 PolarHBondContact O-OG 3.48Å; E639-P644 WeakPolarHBondContact O-CD 3.15Å; E639-D653 PolarHBondContact N-OD1 3.47Å; E639-G657 VanDerWaalsContact OE2-C 3.32Å; E639-G657 WeakPolarHBondContact OE2-CA 3.39Å; E639-G657 PolarHBondContact OE2-N 2.03Å; E639-Y658 HydrophobicContact CB-CD1 4.17Å |
| 640 | C | 76.8 | Confident | 73.9 | Confident | 21 Ų | 21 | 74.7 Ų | 74.7 | 14% | 0.142 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -70.5 | -23.7 | 174.7 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | D638 S642 L643 C651 D653 | D638-C640 PolarHBondContact O-N 3.44Å; D638-C640 WeakPolarHBondContact OD1-CA 3.17Å; D638-C640 WeakPolarHBondContact OD1-CB 2.96Å; D638-C640 PolarHBondContact OD1-N 2.89Å; C640-S642 PolarHBondContact O-N 3.48Å; C640-L643 PolarHBondContact O-N 3.37Å; C640-C651 WeakPolarHBondContact CA-SG 3.04Å; C640-C651 HydrophobicContact CB-CB 3.6Å; C640-C651 WeakPolarHBondContact CB-SG 3.35Å; C640-C651 VanDerWaalsContact SG-C 3.51Å; C640-C651 WeakPolarHBondContact SG-CB 3.06Å; C640-C651 CovalentContact SG-SG 2.03Å; C640-C651 PolarHBondContact SG-SG 2.96Å; C640-D653 PolarHBondContact SG-N 3.39Å; C640-D653 VanDerWaalsContact SG-N 3.43Å |
| 641 | L | 76.3 | Confident | 74.6 | Confident | 129 Ų | 129 | 74.9 Ų | 74.9 | 68% | 0.675 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -60.7 | -25.1 | 171.3 | -69.6 | 176.4 | 0 | 0 | 0 | 113.1 | D638 E639 L643 | D638-L641 HydrophobicContact CB-CD1 3.89Å; D638-L641 HydrophobicContact CB-CG 3.9Å; D638-L641 WeakPolarHBondContact O-CB 3.09Å; D638-L641 PolarHBondContact O-N 2.74Å; D638-L641 VanDerWaalsContact O-N 3.14Å; D638-L641 PolarHBondContact OD1-N 3.12Å; E639-L641 VanDerWaalsContact C-N 3.33Å; E639-L641 PolarHBondContact O-N 2.83Å; L641-L643 PolarHBondContact O-N 3.38Å |
| 642 | S | 70.4 | Confident | 74.8 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -71.9 | -2.8 | 175.4 | 75.4 | 0 | 0 | 0 | 0 | 114 | E639 C640 P644 | E639-S642 WeakPolarHBondContact O-CB 3.14Å; E639-S642 PolarHBondContact O-N 3.29Å; E639-S642 PolarHBondContact O-OG 3.48Å; C640-S642 PolarHBondContact O-N 3.48Å; S642-P644 WeakPolarHBondContact OG-CD 3Å |
| 643 | L | 72.6 | Confident | 74.6 | Confident | 130 Ų | 130 | 68.5 Ų | 68.5 | 68% | 0.681 | 37% | 0.365 | S | S | * | . | trans | 48.9 | 54.1 | -171.8 | -57.8 | 175.3 | 0 | 0 | 0 | 112.2 | C640 L641 K646 | C640-L643 PolarHBondContact O-N 3.37Å; L641-L643 PolarHBondContact O-N 3.38Å; L643-K646 PolarHBondContact O-NZ 3.49Å | ||
| 644 | P | 75 | Confident | 74.5 | Confident | 14 Ų | 14 | 73 Ų | 73 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | trans | -70.7 | -39.5 | -174.3 | 29.8 | -32.6 | 0 | 0 | 0 | 110.8 | E639 S642 K646 Y658 | E639-P644 WeakPolarHBondContact O-CD 3.15Å; S642-P644 WeakPolarHBondContact OG-CD 3Å; P644-K646 WeakPolarHBondContact O-CE 3.31Å; P644-K646 PolarHBondContact O-N 3.36Å; P644-K646 PolarHBondContact O-NZ 3.39Å; P644-Y658 HydrophobicContact CB-CD1 4.01Å; P644-Y658 HydrophobicContact CB-CD2 3.93Å; P644-Y658 HydrophobicContact CB-CE1 3.74Å; P644-Y658 HydrophobicContact CB-CE2 3.66Å; P644-Y658 HydrophobicContact CB-CG 4.11Å; P644-Y658 HydrophobicContact CG-CD1 3.88Å; P644-Y658 HydrophobicContact CG-CD2 3.62Å; P644-Y658 HydrophobicContact CG-CE1 4.14Å; P644-Y658 HydrophobicContact CG-CE2 3.91Å; P644-Y658 HydrophobicContact CG-CG 3.61Å | ||
| 645 | C | 79.4 | Confident | 74.1 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 12% | 0.122 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -68 | 126.1 | 177.5 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | A649 C651 C660 | C645-A649 HydrophobicContact CB-CB 4.06Å; C645-C651 HydrophobicContact CB-CB 4.28Å; C645-C651 VanDerWaalsContact SG-CA 3.6Å; C645-C651 WeakPolarHBondContact SG-CB 3.33Å; C645-C660 WeakPolarHBondContact CA-SG 3.2Å; C645-C660 HydrophobicContact CB-CB 3.75Å; C645-C660 WeakPolarHBondContact CB-SG 3.38Å; C645-C660 WeakPolarHBondContact SG-CA 3.36Å; C645-C660 WeakPolarHBondContact SG-CB 3.48Å; C645-C660 CovalentContact SG-SG 2.02Å; C645-C660 PolarHBondContact SG-SG 3.3Å |
| 646 | K | 75.1 | Confident | 73.8 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | trans | -94.3 | 169.5 | -179.7 | -53.8 | -50.6 | 173.1 | -159.7 | 0 | 111.6 | L643 P644 N648 A649 D670 A672 | L643-K646 PolarHBondContact O-NZ 3.49Å; P644-K646 WeakPolarHBondContact O-CE 3.31Å; P644-K646 PolarHBondContact O-N 3.36Å; P644-K646 PolarHBondContact O-NZ 3.39Å; K646-N648 PolarHBondContact O-N 2.03Å; K646-A649 WeakPolarHBondContact O-CB 3.28Å; K646-A649 PolarHBondContact O-N 2.91Å; K646-D670 PolarHBondContact N-O 3.37Å; K646-A672 HydrophobicContact CG-CB 4.35Å | ||
| 647 | N | 70.1 | Confident | 73.7 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 45.9 | 167 | -49.5 | -49.7 | 0 | 0 | 0 | 115.1 | A649 W666 C671 | N647-A649 PolarHBondContact O-N 3.1Å; N647-A649 VanDerWaalsContact O-N 3.09Å; N647-W666 HydrophobicContact CB-CD2 3.59Å; N647-W666 HydrophobicContact CB-CE3 4.16Å; N647-W666 HydrophobicContact CB-CG 3.95Å; N647-W666 HydrophobicContact CB-CH2 4.06Å; N647-W666 HydrophobicContact CB-CZ2 3.52Å; N647-W666 HydrophobicContact CB-CZ3 4.39Å; N647-W666 VanDerWaalsContact CG-CZ3 3.5Å; N647-W666 WeakPolarHBondContact ND2-CH2 3.01Å; N647-W666 WeakPolarHBondContact ND2-CZ3 3.48Å; N647-W666 VanDerWaalsContact OD1-CH2 3.23Å; N647-W666 WeakPolarHBondContact OD1-CH2 3.37Å; N647-W666 VanDerWaalsContact OD1-CZ2 3.29Å; N647-W666 WeakPolarHBondContact OD1-CZ2 3.43Å; N647-C671 PolarHBondContact ND2-O 3.43Å |
| 648 | N | 70.4 | Confident | 74 | Confident | 156 Ų | 156 | 69.9 Ų | 69.9 | 83% | 0.834 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 22.1 | 178.1 | -153.7 | 44.5 | 0 | 0 | 0 | 113.8 | K646 S663 | K646-N648 PolarHBondContact O-N 2.03Å; N648-S663 PolarHBondContact O-OG 2.77Å |
| 649 | A | 73.6 | Confident | 74.2 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 12% | 0.116 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 141.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C645 K646 N647 F661 C671 | C645-A649 HydrophobicContact CB-CB 4.06Å; K646-A649 WeakPolarHBondContact O-CB 3.28Å; K646-A649 PolarHBondContact O-N 2.91Å; N647-A649 PolarHBondContact O-N 3.1Å; N647-A649 VanDerWaalsContact O-N 3.09Å; A649-F661 WeakPolarHBondContact CA-O 3.5Å; A649-F661 VanDerWaalsContact CB-O 3.32Å; A649-F661 WeakPolarHBondContact CB-O 3.16Å; A649-C671 HydrophobicContact CB-CB 3.76Å; A649-C671 VanDerWaalsContact CB-SG 3.6Å |
| 650 | T | 81.1 | Confident | 74.3 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 60% | 0.595 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.2 | 176 | 38.9 | 0 | 0 | 0 | 0 | 110.6 | F661 | T650-F661 PolarHBondContact N-O 2.91Å; T650-F661 PolarHBondContact O-N 3.3Å |
| 651 | C | 80.3 | Confident | 74.5 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 28% | 0.277 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 140.1 | 173.5 | -166 | 0 | 0 | 0 | 0 | 110.3 | C640 C645 | C640-C651 WeakPolarHBondContact CA-SG 3.04Å; C640-C651 HydrophobicContact CB-CB 3.6Å; C640-C651 WeakPolarHBondContact CB-SG 3.35Å; C640-C651 VanDerWaalsContact SG-C 3.51Å; C640-C651 WeakPolarHBondContact SG-CB 3.06Å; C640-C651 CovalentContact SG-SG 2.03Å; C640-C651 PolarHBondContact SG-SG 2.96Å; C645-C651 HydrophobicContact CB-CB 4.28Å; C645-C651 VanDerWaalsContact SG-CA 3.6Å; C645-C651 WeakPolarHBondContact SG-CB 3.33Å |
| 652 | A | 77.1 | Confident | 74.5 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | K659 F661 | A652-K659 PolarHBondContact N-O 2.74Å; A652-K659 PolarHBondContact O-N 2.93Å; A652-F661 HydrophobicContact CB-CD2 4.3Å; A652-F661 HydrophobicContact CB-CE2 3.69Å |
| 653 | D | 76.2 | Confident | 74.6 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 28% | 0.283 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 143.1 | -177.2 | -158.1 | 42.4 | 0 | 0 | 0 | 111 | D638 E639 C640 | D638-D653 WeakPolarHBondContact CA-OD1 3.04Å; E639-D653 PolarHBondContact N-OD1 3.47Å; C640-D653 PolarHBondContact SG-N 3.39Å; C640-D653 VanDerWaalsContact SG-N 3.43Å |
| 654 | L | 70.6 | Confident | 74.4 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 154.4 | 173.8 | -46.9 | 157.6 | 0 | 0 | 0 | 108.5 | D656 G657 K659 | L654-D656 PolarHBondContact O-N 2.62Å; L654-D656 VanDerWaalsContact O-N 3.08Å; L654-G657 CarbonylContact C-O 3.22Å; L654-G657 WeakPolarHBondContact CA-O 3.05Å; L654-G657 WeakPolarHBondContact CB-O 3.35Å; L654-G657 PolarHBondContact N-O 2.99Å; L654-G657 VanDerWaalsContact N-O 3.11Å; L654-G657 PolarHBondContact O-N 3.4Å; L654-G657 VanDerWaalsContact O-N 3.11Å; L654-K659 HydrophobicContact CD1-CB 3.91Å |
| 655 | L | 66.3 | Low | 74.1 | Confident | 109 Ų | 109 | 69.3 Ų | 69.3 | 57% | 0.571 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 114.1 | 179.6 | -167.7 | 73.8 | 0 | 0 | 0 | 111.5 | W628 E636 | W628-L655 HydrophobicContact CZ2-CD1 3.72Å; E636-L655 HydrophobicContact CG-CD1 4.21Å; E636-L655 VanDerWaalsContact OE1-CD1 3.29Å; E636-L655 WeakPolarHBondContact OE1-CD1 3.47Å |
| 656 | D | 64.4 | Low | 73.8 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 41.1 | -175.5 | -163 | 34.6 | 0 | 0 | 0 | 113.8 | S626 G627 L654 | S626-D656 VanDerWaalsContact CB-CG 3.47Å; S626-D656 WeakPolarHBondContact CB-OD1 3.4Å; G627-D656 PolarHBondContact N-OD1 2.84Å; L654-D656 PolarHBondContact O-N 2.62Å; L654-D656 VanDerWaalsContact O-N 3.08Å |
| 657 | G | 68.3 | Low | 73.7 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 26% | 0.258 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | 155.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E639 L654 | E639-G657 VanDerWaalsContact OE2-C 3.32Å; E639-G657 WeakPolarHBondContact OE2-CA 3.39Å; E639-G657 PolarHBondContact OE2-N 2.03Å; L654-G657 CarbonylContact C-O 3.22Å; L654-G657 WeakPolarHBondContact CA-O 3.05Å; L654-G657 WeakPolarHBondContact CB-O 3.35Å; L654-G657 PolarHBondContact N-O 2.99Å; L654-G657 VanDerWaalsContact N-O 3.11Å; L654-G657 PolarHBondContact O-N 3.4Å; L654-G657 VanDerWaalsContact O-N 3.11Å |
| 658 | Y | 77.6 | Confident | 73.7 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 160.7 | 179.1 | 64 | -86.4 | 0 | 0 | 0 | 113.4 | E639 P644 C660 | E639-Y658 HydrophobicContact CB-CD1 4.17Å; P644-Y658 HydrophobicContact CB-CD1 4.01Å; P644-Y658 HydrophobicContact CB-CD2 3.93Å; P644-Y658 HydrophobicContact CB-CE1 3.74Å; P644-Y658 HydrophobicContact CB-CE2 3.66Å; P644-Y658 HydrophobicContact CB-CG 4.11Å; P644-Y658 HydrophobicContact CG-CD1 3.88Å; P644-Y658 HydrophobicContact CG-CD2 3.62Å; P644-Y658 HydrophobicContact CG-CE1 4.14Å; P644-Y658 HydrophobicContact CG-CE2 3.91Å; P644-Y658 HydrophobicContact CG-CG 3.61Å; Y658-C660 VanDerWaalsContact CE2-SG 3.58Å |
| 659 | K | 78.8 | Confident | 73.7 | Confident | 115 Ų | 115 | 66.7 Ų | 66.7 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.2 | 168.7 | -177.5 | 171.1 | -177.8 | 171.6 | 0 | 112.2 | A652 L654 F661 | A652-K659 PolarHBondContact N-O 2.74Å; A652-K659 PolarHBondContact O-N 2.93Å; L654-K659 HydrophobicContact CD1-CB 3.91Å; K659-F661 HydrophobicContact CD-CZ 4.39Å |
| 660 | C | 80.6 | Confident | 73.9 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 10% | 0.101 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 135.1 | 175 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | C645 Y658 C671 | C645-C660 WeakPolarHBondContact CA-SG 3.2Å; C645-C660 HydrophobicContact CB-CB 3.75Å; C645-C660 WeakPolarHBondContact CB-SG 3.38Å; C645-C660 WeakPolarHBondContact SG-CA 3.36Å; C645-C660 WeakPolarHBondContact SG-CB 3.48Å; C645-C660 CovalentContact SG-SG 2.02Å; C645-C660 PolarHBondContact SG-SG 3.3Å; Y658-C660 VanDerWaalsContact CE2-SG 3.58Å; C660-C671 WeakPolarHBondContact CB-SG 2.99Å |
| 661 | F | 80.1 | Confident | 73.5 | Confident | 108 Ų | 108 | 63.7 Ų | 63.7 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 102.2 | 167.7 | -66.6 | -81 | 0 | 0 | 0 | 109 | A649 T650 A652 K659 | A649-F661 WeakPolarHBondContact CA-O 3.5Å; A649-F661 VanDerWaalsContact CB-O 3.32Å; A649-F661 WeakPolarHBondContact CB-O 3.16Å; T650-F661 PolarHBondContact N-O 2.91Å; T650-F661 PolarHBondContact O-N 3.3Å; A652-F661 HydrophobicContact CB-CD2 4.3Å; A652-F661 HydrophobicContact CB-CE2 3.69Å; K659-F661 HydrophobicContact CD-CZ 4.39Å |
| 662 | C | 76.6 | Confident | 73 | Confident | 49 Ų | 49 | 64 Ų | 64 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 139.6 | -171.9 | -51.1 | 0 | 0 | 0 | 0 | 113.2 | W666 C671 | C662-W666 HydrophobicContact CB-CB 4.27Å; C662-W666 VanDerWaalsContact CB-O 3.31Å; C662-W666 WeakPolarHBondContact CB-O 3.28Å; C662-C671 WeakPolarHBondContact CA-SG 3.37Å; C662-C671 HydrophobicContact CB-CB 3.71Å; C662-C671 WeakPolarHBondContact CB-SG 3.41Å; C662-C671 PolarHBondContact N-SG 2.97Å; C662-C671 VanDerWaalsContact N-SG 3.38Å; C662-C671 VanDerWaalsContact SG-CA 3.51Å; C662-C671 WeakPolarHBondContact SG-CB 3.35Å; C662-C671 CovalentContact SG-SG 2.03Å; C662-C671 PolarHBondContact SG-SG 3.4Å |
| 663 | S | 72.7 | Confident | 72.6 | Confident | 37 Ų | 37 | 68 Ų | 68 | 26% | 0.259 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 153.7 | 166.9 | -72.8 | 0 | 0 | 0 | 0 | 110.3 | N648 G665 W666 | N648-S663 PolarHBondContact O-OG 2.77Å; S663-G665 PolarHBondContact O-N 2.03Å; S663-W666 PolarHBondContact O-N 2.9Å; S663-W666 VanDerWaalsContact O-N 3.17Å |
| 664 | P | 69.1 | Low | 72 | Confident | 123 Ų | 123 | 68.8 Ų | 68.8 | 80% | 0.799 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 139.7 | 177.7 | -24.7 | 34.1 | 0 | 0 | 0 | 112.1 | ||
| 665 | G | 67.4 | Low | 71.9 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -9.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S663 V675 | S663-G665 PolarHBondContact O-N 2.03Å; G665-V675 WeakPolarHBondContact O-CB 3.33Å; G665-V675 WeakPolarHBondContact O-CG2 3.33Å; G665-V675 PolarHBondContact O-N 2.95Å; G665-V675 VanDerWaalsContact O-N 3.08Å |
| 666 | W | 73.4 | Confident | 71.8 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 21% | 0.212 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149 | -176.4 | -60.1 | 90.9 | 0 | 0 | 0 | 113.7 | N647 C662 S663 C671 Q673 P695 | N647-W666 HydrophobicContact CB-CD2 3.59Å; N647-W666 HydrophobicContact CB-CE3 4.16Å; N647-W666 HydrophobicContact CB-CG 3.95Å; N647-W666 HydrophobicContact CB-CH2 4.06Å; N647-W666 HydrophobicContact CB-CZ2 3.52Å; N647-W666 HydrophobicContact CB-CZ3 4.39Å; N647-W666 VanDerWaalsContact CG-CZ3 3.5Å; N647-W666 WeakPolarHBondContact ND2-CH2 3.01Å; N647-W666 WeakPolarHBondContact ND2-CZ3 3.48Å; N647-W666 VanDerWaalsContact OD1-CH2 3.23Å; N647-W666 WeakPolarHBondContact OD1-CH2 3.37Å; N647-W666 VanDerWaalsContact OD1-CZ2 3.29Å; N647-W666 WeakPolarHBondContact OD1-CZ2 3.43Å; C662-W666 HydrophobicContact CB-CB 4.27Å; C662-W666 VanDerWaalsContact CB-O 3.31Å; C662-W666 WeakPolarHBondContact CB-O 3.28Å; S663-W666 PolarHBondContact O-N 2.9Å; S663-W666 VanDerWaalsContact O-N 3.17Å; W666-C671 HydrophobicContact CB-CB 4.46Å; W666-Q673 CarbonylContact C-O 3.58Å; W666-Q673 WeakPolarHBondContact CA-O 3.45Å; W666-P695 HydrophobicContact CD2-CB 3.75Å; W666-P695 HydrophobicContact CD2-CG 4.18Å; W666-P695 HydrophobicContact CE3-CB 4.11Å; W666-P695 HydrophobicContact CE3-CG 4.11Å; W666-P695 HydrophobicContact CG-CB 4.39Å; W666-P695 HydrophobicContact CH2-CB 3.98Å; W666-P695 HydrophobicContact CH2-CG 3.35Å; W666-P695 HydrophobicContact CZ2-CB 3.54Å; W666-P695 VanDerWaalsContact CZ2-CD 3.47Å; W666-P695 HydrophobicContact CZ2-CG 3.35Å; W666-P695 HydrophobicContact CZ3-CB 4.2Å; W666-P695 HydrophobicContact CZ3-CG 3.7Å |
| 667 | T | 73.1 | Confident | 72 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | -178.7 | 180 | -166.7 | 0 | 0 | 0 | 0 | 111.5 | C671 Q673 V675 | T667-C671 CarbonylContact O-C 3.42Å; T667-C671 WeakPolarHBondContact O-CA 3Å; T667-Q673 HydrophobicContact CG2-CB 3.82Å; T667-Q673 PolarHBondContact N-O 3.45Å; T667-Q673 WeakPolarHBondContact O-CB 3.47Å; T667-Q673 PolarHBondContact O-N 3.06Å; T667-V675 HydrophobicContact CG2-CG2 4.06Å |
| 668 | G | 69.6 | Low | 72 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 92.1 | 171.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D670 C671 | G668-D670 VanDerWaalsContact C-N 3.33Å; G668-D670 PolarHBondContact O-N 3.03Å; G668-C671 PolarHBondContact O-N 3.41Å |
| 669 | V | 71.9 | Confident | 71.5 | Confident | 126 Ų | 126 | 64.6 Ų | 64.6 | 76% | 0.764 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -26.9 | -172.9 | -66.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 670 | D | 76.4 | Confident | 70.6 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 4.9 | 178.4 | 63.4 | -13.9 | 0 | 0 | 0 | 112.6 | K646 G668 A672 | K646-D670 PolarHBondContact N-O 3.37Å; G668-D670 VanDerWaalsContact C-N 3.33Å; G668-D670 PolarHBondContact O-N 3.03Å; D670-A672 PolarHBondContact O-N 2.9Å; D670-A672 VanDerWaalsContact OD1-CB 3.3Å; D670-A672 WeakPolarHBondContact OD1-CB 3.33Å; D670-A672 PolarHBondContact OD1-N 3.22Å; D670-A672 WeakPolarHBondContact OD2-CB 2.98Å |
| 671 | C | 73.4 | Confident | 69.8 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 60 | 25.1 | -173.4 | -51.8 | 0 | 0 | 0 | 0 | 115.2 | N647 A649 C660 C662 W666 T667 G668 | N647-C671 PolarHBondContact ND2-O 3.43Å; A649-C671 HydrophobicContact CB-CB 3.76Å; A649-C671 VanDerWaalsContact CB-SG 3.6Å; C660-C671 WeakPolarHBondContact CB-SG 2.99Å; C662-C671 WeakPolarHBondContact CA-SG 3.37Å; C662-C671 HydrophobicContact CB-CB 3.71Å; C662-C671 WeakPolarHBondContact CB-SG 3.41Å; C662-C671 PolarHBondContact N-SG 2.97Å; C662-C671 VanDerWaalsContact N-SG 3.38Å; C662-C671 VanDerWaalsContact SG-CA 3.51Å; C662-C671 WeakPolarHBondContact SG-CB 3.35Å; C662-C671 CovalentContact SG-SG 2.03Å; C662-C671 PolarHBondContact SG-SG 3.4Å; W666-C671 HydrophobicContact CB-CB 4.46Å; T667-C671 CarbonylContact O-C 3.42Å; T667-C671 WeakPolarHBondContact O-CA 3Å; G668-C671 PolarHBondContact O-N 3.41Å |
| 672 | A | 69.4 | Low | 69.2 | Low | 46 Ų | 46 | 62.4 Ų | 62.4 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | trans | -85.7 | -7.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | K646 D670 | K646-A672 HydrophobicContact CG-CB 4.35Å; D670-A672 PolarHBondContact O-N 2.9Å; D670-A672 VanDerWaalsContact OD1-CB 3.3Å; D670-A672 WeakPolarHBondContact OD1-CB 3.33Å; D670-A672 PolarHBondContact OD1-N 3.22Å; D670-A672 WeakPolarHBondContact OD2-CB 2.98Å | ||
| 673 | Q | 69.1 | Low | 68.9 | Low | 121 Ų | 121 | 61.3 Ų | 61.3 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.3 | -176.8 | -56.8 | -179.5 | 5.1 | 0 | 0 | 111.1 | W666 T667 | W666-Q673 CarbonylContact C-O 3.58Å; W666-Q673 WeakPolarHBondContact CA-O 3.45Å; T667-Q673 HydrophobicContact CG2-CB 3.82Å; T667-Q673 PolarHBondContact N-O 3.45Å; T667-Q673 WeakPolarHBondContact O-CB 3.47Å; T667-Q673 PolarHBondContact O-N 3.06Å |
| 674 | D | 63.6 | Low | 68.4 | Low | 68 Ų | 68 | 64.3 Ų | 64.3 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 150.3 | 172.6 | 179 | 30.3 | 0 | 0 | 0 | 111.8 | P695 | D674-P695 HydrophobicContact CB-CB 4.18Å; D674-P695 HydrophobicContact CB-CG 3.71Å; D674-P695 VanDerWaalsContact CG-CG 3.44Å; D674-P695 WeakPolarHBondContact OD1-CA 3.29Å; D674-P695 WeakPolarHBondContact OD1-CB 3.23Å; D674-P695 VanDerWaalsContact OD1-CG 3.22Å; D674-P695 WeakPolarHBondContact OD1-CG 3.26Å |
| 675 | V | 67.3 | Low | 67.9 | Low | 60 Ų | 60 | 64.9 Ų | 64.9 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -102.5 | 131.7 | 173.4 | 175.5 | 0 | 0 | 0 | 0 | 108.4 | G665 T667 E677 Q691 | G665-V675 WeakPolarHBondContact O-CB 3.33Å; G665-V675 WeakPolarHBondContact O-CG2 3.33Å; G665-V675 PolarHBondContact O-N 2.95Å; G665-V675 VanDerWaalsContact O-N 3.08Å; T667-V675 HydrophobicContact CG2-CG2 4.06Å; V675-E677 PolarHBondContact O-N 3Å; V675-E677 VanDerWaalsContact O-OE1 3.1Å; V675-Q691 PolarHBondContact O-NE2 2.79Å; V675-Q691 VanDerWaalsContact O-NE2 3.12Å |
| 676 | N | 64.7 | Low | 67.6 | Low | 75 Ų | 75 | 68.1 Ų | 68.1 | 40% | 0.401 | 42% | 0.424 | S | S | . | . | trans | -84.2 | 103.9 | -179.9 | 179 | 10 | 0 | 0 | 0 | 112 | C678 D679 Q691 | N676-C678 PolarHBondContact OD1-N 3.36Å; N676-D679 PolarHBondContact ND2-OD1 2.03Å; N676-D679 PolarHBondContact ND2-OD2 2.66Å; N676-Q691 PolarHBondContact OD1-OE1 3.44Å | ||
| 677 | E | 69.7 | Low | 67.2 | Low | 34 Ų | 34 | 66.4 Ų | 66.4 | 16% | 0.159 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -77.6 | -29.1 | -179.4 | -67.4 | 77.2 | -161.2 | 0 | 0 | 114.4 | V675 D679 S680 Q691 G696 F698 | V675-E677 PolarHBondContact O-N 3Å; V675-E677 VanDerWaalsContact O-OE1 3.1Å; E677-D679 PolarHBondContact O-N 3.04Å; E677-D679 VanDerWaalsContact O-N 3.14Å; E677-S680 PolarHBondContact O-N 3.28Å; E677-S680 PolarHBondContact O-OG 3.03Å; E677-Q691 PolarHBondContact OE2-NE2 3.31Å; E677-G696 WeakPolarHBondContact OE1-CA 3.09Å; E677-G696 PolarHBondContact OE1-N 3.36Å; E677-F698 HydrophobicContact CB-CB 4.23Å; E677-F698 HydrophobicContact CB-CD1 3.89Å; E677-F698 HydrophobicContact CB-CG 4.42Å; E677-F698 HydrophobicContact CG-CD1 4.45Å |
| 678 | C | 68.4 | Low | 67.3 | Low | 29 Ų | 29 | 72.1 Ų | 72.1 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -65 | -17.6 | -177 | -82 | 0 | 0 | 0 | 0 | 113.4 | N676 S680 G681 C689 | N676-C678 PolarHBondContact OD1-N 3.36Å; C678-S680 PolarHBondContact O-N 2.94Å; C678-S680 VanDerWaalsContact O-N 3.08Å; C678-G681 PolarHBondContact O-N 3.18Å; C678-G681 VanDerWaalsContact O-N 3.15Å; C678-C689 HydrophobicContact CB-CB 4.19Å; C678-C689 WeakPolarHBondContact CB-SG 2.99Å; C678-C689 WeakPolarHBondContact SG-CB 3.49Å; C678-C689 CovalentContact SG-SG 2.06Å; C678-C689 PolarHBondContact SG-SG 3.25Å |
| 679 | D | 65.8 | Low | 67.4 | Low | 136 Ų | 136 | 72.6 Ų | 72.6 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -62.6 | -12.9 | 175.7 | -75.2 | -16.9 | 0 | 0 | 0 | 113.5 | N676 E677 | N676-D679 PolarHBondContact ND2-OD1 2.03Å; N676-D679 PolarHBondContact ND2-OD2 2.66Å; E677-D679 PolarHBondContact O-N 3.04Å; E677-D679 VanDerWaalsContact O-N 3.14Å |
| 680 | S | 59.8 | Low | 67.4 | Low | 98 Ų | 98 | 69.1 Ų | 69.1 | 69% | 0.685 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -92.2 | -10.8 | 177.3 | 67.5 | 0 | 0 | 0 | 0 | 115.4 | E677 C678 | E677-S680 PolarHBondContact O-N 3.28Å; E677-S680 PolarHBondContact O-OG 3.03Å; C678-S680 PolarHBondContact O-N 2.94Å; C678-S680 VanDerWaalsContact O-N 3.08Å |
| 681 | G | 64.4 | Low | 66.8 | Low | 63 Ų | 63 | 69.6 Ų | 69.6 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | trans | 70.8 | 56.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 118 | C678 | C678-G681 PolarHBondContact O-N 3.18Å; C678-G681 VanDerWaalsContact O-N 3.15Å | ||
| 682 | P | 67.2 | Low | 66.2 | Low | 31 Ų | 31 | 70.9 Ų | 70.9 | 20% | 0.201 | 42% | 0.423 | C | S | . | . | trans | -87.7 | -20.8 | -168.5 | 33.2 | -37.7 | 0 | 0 | 0 | 118.3 | F698 | P682-F698 HydrophobicContact CB-CD2 4.22Å; P682-F698 HydrophobicContact CB-CE1 4.39Å; P682-F698 HydrophobicContact CB-CE2 3.51Å; P682-F698 HydrophobicContact CB-CZ 3.61Å; P682-F698 HydrophobicContact CG-CD1 4.39Å; P682-F698 HydrophobicContact CG-CD2 3.45Å; P682-F698 VanDerWaalsContact CG-CD2 3.45Å; P682-F698 HydrophobicContact CG-CE1 4.23Å; P682-F698 HydrophobicContact CG-CE2 3.27Å; P682-F698 HydrophobicContact CG-CG 4.04Å; P682-F698 HydrophobicContact CG-CZ 3.7Å | ||
| 683 | C | 71.1 | Confident | 65.9 | Low | 27 Ų | 27 | 76.9 Ų | 76.9 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | trans | -80.5 | 144.7 | -171.5 | -60.1 | 0 | 0 | 0 | 0 | 114.6 | A687 C689 C700 | C683-A687 HydrophobicContact CB-CB 4.36Å; C683-C689 VanDerWaalsContact SG-CA 3.52Å; C683-C700 WeakPolarHBondContact CA-SG 3.32Å; C683-C700 HydrophobicContact CB-CB 3.85Å; C683-C700 WeakPolarHBondContact CB-SG 3.43Å; C683-C700 VanDerWaalsContact SG-CA 3.52Å; C683-C700 WeakPolarHBondContact SG-CB 3.33Å; C683-C700 CovalentContact SG-SG 2.04Å; C683-C700 PolarHBondContact SG-SG 2.71Å | ||
| 684 | L | 62.1 | Low | 65.4 | Low | 100 Ų | 100 | 76.2 Ų | 76.2 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | trans | -113.4 | 175.5 | -176.4 | -61.5 | 177.7 | 0 | 0 | 0 | 113.6 | G686 A687 | L684-G686 PolarHBondContact O-N 3.18Å; L684-A687 VanDerWaalsContact O-CB 3.27Å; L684-A687 WeakPolarHBondContact O-CB 3.41Å; L684-A687 PolarHBondContact O-N 2.87Å | ||
| 685 | N | 57.4 | Low | 64.9 | Low | 135 Ų | 135 | 74 Ų | 74 | 72% | 0.722 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 25.2 | 175.2 | -61.9 | -39.3 | 0 | 0 | 0 | 116.5 | A687 C711 | N685-A687 VanDerWaalsContact C-N 3.3Å; N685-C711 PolarHBondContact ND2-O 3.38Å |
| 686 | G | 62.5 | Low | 64.6 | Low | 83 Ų | 83 | 73.1 Ų | 73.1 | 86% | 0.856 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 11.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L684 | L684-G686 PolarHBondContact O-N 3.18Š|
| 687 | A | 64.6 | Low | 64.5 | Low | 19 Ų | 19 | 73.8 Ų | 73.8 | 16% | 0.157 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 152.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C683 L684 N685 C700 T701 C711 | C683-A687 HydrophobicContact CB-CB 4.36Å; L684-A687 VanDerWaalsContact O-CB 3.27Å; L684-A687 WeakPolarHBondContact O-CB 3.41Å; L684-A687 PolarHBondContact O-N 2.87Å; N685-A687 VanDerWaalsContact C-N 3.3Å; A687-C700 HydrophobicContact CB-CB 4.31Å; A687-T701 WeakPolarHBondContact CB-O 3.33Å; A687-C711 HydrophobicContact CB-CB 3.84Å; A687-C711 WeakPolarHBondContact CB-SG 3.45Å |
| 688 | R | 74.3 | Confident | 64.5 | Low | 189 Ų | 189 | 75 Ų | 75 | 71% | 0.713 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.5 | 179.8 | 177.4 | 178.7 | -177.3 | 168.4 | 0.6 | 110.1 | T701 | R688-T701 PolarHBondContact O-N 3.07Å; R688-T701 PolarHBondContact O-OG1 3.17Å |
| 689 | C | 72.6 | Confident | 64.2 | Low | 37 Ų | 37 | 76.4 Ų | 76.4 | 25% | 0.25 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 131 | 168.1 | -158 | 0 | 0 | 0 | 0 | 109 | C678 C683 | C678-C689 HydrophobicContact CB-CB 4.19Å; C678-C689 WeakPolarHBondContact CB-SG 2.99Å; C678-C689 WeakPolarHBondContact SG-CB 3.49Å; C678-C689 CovalentContact SG-SG 2.06Å; C678-C689 PolarHBondContact SG-SG 3.25Å; C683-C689 VanDerWaalsContact SG-CA 3.52Å |
| 690 | T | 71.9 | Confident | 64.4 | Low | 53 Ų | 53 | 70.4 Ų | 70.4 | 33% | 0.325 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.4 | 168.4 | 46.4 | 0 | 0 | 0 | 0 | 107.2 | S692 S699 | T690-S692 PolarHBondContact O-N 3.47Å; T690-S699 PolarHBondContact N-O 3.09Å; T690-S699 PolarHBondContact O-N 3.27Å; T690-S699 PolarHBondContact OG1-O 3.32Å |
| 691 | Q | 64.1 | Low | 64.8 | Low | 57 Ų | 57 | 69.2 Ų | 69.2 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 133.6 | 169 | -166.7 | 64.2 | 13.9 | 0 | 0 | 108.1 | V675 N676 E677 | V675-Q691 PolarHBondContact O-NE2 2.79Å; V675-Q691 VanDerWaalsContact O-NE2 3.12Å; N676-Q691 PolarHBondContact OD1-OE1 3.44Å; E677-Q691 PolarHBondContact OE2-NE2 3.31Å |
| 692 | S | 61.1 | Low | 64.8 | Low | 27 Ų | 27 | 68.5 Ų | 68.5 | 19% | 0.189 | 40% | 0.397 | C | S | . | . | trans | -77.8 | 156.7 | 175.2 | -164.4 | 0 | 0 | 0 | 0 | 109.6 | T690 I694 E697 | T690-S692 PolarHBondContact O-N 3.47Å; S692-I694 PolarHBondContact O-N 3.03Å; S692-I694 PolarHBondContact OG-N 3.23Å; S692-E697 WeakPolarHBondContact CB-O 3.19Å; S692-E697 PolarHBondContact N-O 2.98Å; S692-E697 PolarHBondContact OG-OE2 3.47Å | ||
| 693 | D | 62.7 | Low | 64.6 | Low | 172 Ų | 172 | 70.7 Ų | 70.7 | 92% | 0.92 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -75.3 | 2.3 | 165 | -58.9 | -52.7 | 0 | 0 | 0 | 111.4 | ||
| 694 | I | 57.4 | Low | 64 | Low | 107 Ų | 107 | 74.5 Ų | 74.5 | 55% | 0.549 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -111.2 | 109 | 175.9 | -53.5 | 175.6 | 0 | 0 | 0 | 108.6 | S692 E697 | S692-I694 PolarHBondContact O-N 3.03Å; S692-I694 PolarHBondContact OG-N 3.23Å; I694-E697 VanDerWaalsContact O-CB 3.28Å; I694-E697 WeakPolarHBondContact O-CB 3.3Å; I694-E697 PolarHBondContact O-N 2.82Å |
| 695 | P | 53.5 | Low | 63.9 | Low | 23 Ų | 23 | 77.5 Ų | 77.5 | 15% | 0.149 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 145.9 | -177.1 | -39.4 | 48.8 | 0 | 0 | 0 | 116.2 | W666 D674 | W666-P695 HydrophobicContact CD2-CB 3.75Å; W666-P695 HydrophobicContact CD2-CG 4.18Å; W666-P695 HydrophobicContact CE3-CB 4.11Å; W666-P695 HydrophobicContact CE3-CG 4.11Å; W666-P695 HydrophobicContact CG-CB 4.39Å; W666-P695 HydrophobicContact CH2-CB 3.98Å; W666-P695 HydrophobicContact CH2-CG 3.35Å; W666-P695 HydrophobicContact CZ2-CB 3.54Å; W666-P695 VanDerWaalsContact CZ2-CD 3.47Å; W666-P695 HydrophobicContact CZ2-CG 3.35Å; W666-P695 HydrophobicContact CZ3-CB 4.2Å; W666-P695 HydrophobicContact CZ3-CG 3.7Å; D674-P695 HydrophobicContact CB-CB 4.18Å; D674-P695 HydrophobicContact CB-CG 3.71Å; D674-P695 VanDerWaalsContact CG-CG 3.44Å; D674-P695 WeakPolarHBondContact OD1-CA 3.29Å; D674-P695 WeakPolarHBondContact OD1-CB 3.23Å; D674-P695 VanDerWaalsContact OD1-CG 3.22Å; D674-P695 WeakPolarHBondContact OD1-CG 3.26Å |
| 696 | G | 60.4 | Low | 64.2 | Low | 40 Ų | 40 | 76.9 Ų | 76.9 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -3.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114 | E677 | E677-G696 WeakPolarHBondContact OE1-CA 3.09Å; E677-G696 PolarHBondContact OE1-N 3.36Å |
| 697 | E | 64.5 | Low | 64.2 | Low | 89 Ų | 89 | 75.7 Ų | 75.7 | 42% | 0.416 | 41% | 0.414 | S | S | . | . | trans | -122 | 129.8 | -176.7 | -164.2 | -179.1 | -141.4 | 0 | 0 | 111.8 | S692 I694 | S692-E697 WeakPolarHBondContact CB-O 3.19Å; S692-E697 PolarHBondContact N-O 2.98Å; S692-E697 PolarHBondContact OG-OE2 3.47Å; I694-E697 VanDerWaalsContact O-CB 3.28Å; I694-E697 WeakPolarHBondContact O-CB 3.3Å; I694-E697 PolarHBondContact O-N 2.82Å | ||
| 698 | F | 68.1 | Low | 64.1 | Low | 61 Ų | 61 | 75.9 Ų | 75.9 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.4 | 169.2 | 65.5 | -87.5 | 0 | 0 | 0 | 109.1 | E677 P682 L710 | E677-F698 HydrophobicContact CB-CB 4.23Å; E677-F698 HydrophobicContact CB-CD1 3.89Å; E677-F698 HydrophobicContact CB-CG 4.42Å; E677-F698 HydrophobicContact CG-CD1 4.45Å; P682-F698 HydrophobicContact CB-CD2 4.22Å; P682-F698 HydrophobicContact CB-CE1 4.39Å; P682-F698 HydrophobicContact CB-CE2 3.51Å; P682-F698 HydrophobicContact CB-CZ 3.61Å; P682-F698 HydrophobicContact CG-CD1 4.39Å; P682-F698 HydrophobicContact CG-CD2 3.45Å; P682-F698 VanDerWaalsContact CG-CD2 3.45Å; P682-F698 HydrophobicContact CG-CE1 4.23Å; P682-F698 HydrophobicContact CG-CE2 3.27Å; P682-F698 HydrophobicContact CG-CG 4.04Å; P682-F698 HydrophobicContact CG-CZ 3.7Å; F698-L710 HydrophobicContact CE2-CD2 3.84Å; F698-L710 HydrophobicContact CZ-CD2 4.13Å |
| 699 | S | 63.8 | Low | 63.6 | Low | 58 Ų | 58 | 73.9 Ų | 73.9 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.4 | -179 | -172 | 0 | 0 | 0 | 0 | 111.4 | T690 | T690-S699 PolarHBondContact N-O 3.09Å; T690-S699 PolarHBondContact O-N 3.27Å; T690-S699 PolarHBondContact OG1-O 3.32Å |
| 700 | C | 69.4 | Low | 63.4 | Low | 10 Ų | 10 | 75.2 Ų | 75.2 | 7% | 0.068 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 116.5 | 172.6 | -59.7 | 0 | 0 | 0 | 0 | 109.3 | C683 A687 C702 L709 C711 | C683-C700 WeakPolarHBondContact CA-SG 3.32Å; C683-C700 HydrophobicContact CB-CB 3.85Å; C683-C700 WeakPolarHBondContact CB-SG 3.43Å; C683-C700 VanDerWaalsContact SG-CA 3.52Å; C683-C700 WeakPolarHBondContact SG-CB 3.33Å; C683-C700 CovalentContact SG-SG 2.04Å; C683-C700 PolarHBondContact SG-SG 2.71Å; A687-C700 HydrophobicContact CB-CB 4.31Å; C700-C702 PolarHBondContact O-N 2.8Å; C700-L709 WeakPolarHBondContact CB-O 3.42Å; C700-L709 PolarHBondContact SG-O 3.37Å; C700-C711 PolarHBondContact O-SG 2.8Å; C700-C711 VanDerWaalsContact O-SG 3.35Å |
| 701 | T | 68.6 | Low | 63.1 | Low | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 111.5 | 178.9 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | A687 R688 | A687-T701 WeakPolarHBondContact CB-O 3.33Å; R688-T701 PolarHBondContact O-N 3.07Å; R688-T701 PolarHBondContact O-OG1 3.17Å |
| 702 | C | 63.5 | Low | 63.1 | Low | 47 Ų | 47 | 74.8 Ų | 74.8 | 32% | 0.318 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 154.5 | -172.4 | -47.9 | 0 | 0 | 0 | 0 | 113.7 | C700 C711 | C700-C702 PolarHBondContact O-N 2.8Å; C702-C711 WeakPolarHBondContact CA-SG 3.35Å; C702-C711 HydrophobicContact CB-CB 3.75Å; C702-C711 WeakPolarHBondContact CB-SG 3.41Å; C702-C711 PolarHBondContact N-SG 3.5Å; C702-C711 VanDerWaalsContact N-SG 3.44Å; C702-C711 WeakPolarHBondContact SG-CA 3.49Å; C702-C711 WeakPolarHBondContact SG-CB 3.35Å; C702-C711 CovalentContact SG-SG 2.04Å; C702-C711 PolarHBondContact SG-SG 3.34Å |
| 703 | S | 63.3 | Low | 63 | Low | 78 Ų | 78 | 77.9 Ų | 77.9 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 151.9 | 171.2 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | F706 | S703-F706 WeakPolarHBondContact O-CB 3.32Å; S703-F706 PolarHBondContact O-N 3.46Å; S703-F706 VanDerWaalsContact O-N 3.09Å |
| 704 | P | 58.9 | Low | 62.8 | Low | 107 Ų | 107 | 74.6 Ų | 74.6 | 70% | 0.695 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 145.3 | -174.1 | 21.2 | -33 | 0 | 0 | 0 | 113.3 | F706 | P704-F706 PolarHBondContact O-N 2.76Š|
| 705 | F | 59 | Low | 62.9 | Low | 162 Ų | 162 | 75.1 Ų | 75.1 | 71% | 0.711 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 0.6 | -168.3 | -50.4 | -75.6 | 0 | 0 | 0 | 116.2 | P714 Y715 | F705-P714 VanDerWaalsContact O-CA 3.3Å; F705-P714 WeakPolarHBondContact O-CA 3.36Å; F705-Y715 PolarHBondContact O-N 2.03Å |
| 706 | F | 64.9 | Low | 63.4 | Low | 122 Ų | 122 | 79.1 Ų | 79.1 | 54% | 0.535 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 151.6 | 171.2 | -60.4 | -90 | 0 | 0 | 0 | 112.5 | S703 P704 L713 | S703-F706 WeakPolarHBondContact O-CB 3.32Å; S703-F706 PolarHBondContact O-N 3.46Å; S703-F706 VanDerWaalsContact O-N 3.09Å; P704-F706 PolarHBondContact O-N 2.76Å; F706-L713 CarbonylContact C-O 3.56Å; F706-L713 WeakPolarHBondContact CA-O 3.32Å; F706-L713 WeakPolarHBondContact CB-O 3.19Å |
| 707 | T | 62.5 | Low | 63.3 | Low | 58 Ų | 58 | 78 Ų | 78 | 36% | 0.356 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | -175 | -175.1 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | D712 L713 P714 | T707-D712 PolarHBondContact O-N 3.28Å; T707-L713 HydrophobicContact CG2-CB 3.95Å; T707-L713 PolarHBondContact N-O 2.78Å; T707-L713 PolarHBondContact O-N 3.37Å; T707-P714 WeakPolarHBondContact CG2-O 3.06Å |
| 708 | G | 61.7 | Low | 63.3 | Low | 23 Ų | 23 | 75.7 Ų | 75.7 | 24% | 0.237 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 149 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | L710 C711 | G708-L710 PolarHBondContact O-N 3.07Å; G708-L710 VanDerWaalsContact O-N 3.08Å; G708-C711 PolarHBondContact O-N 3.34Å |
| 709 | L | 63.6 | Low | 63.2 | Low | 147 Ų | 147 | 77 Ų | 77 | 77% | 0.77 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.7 | -170 | -86.1 | 100.6 | 0 | 0 | 0 | 114.4 | C700 | C700-L709 WeakPolarHBondContact CB-O 3.42Å; C700-L709 PolarHBondContact SG-O 3.37Å |
| 710 | L | 68.1 | Low | 62.9 | Low | 65 Ų | 65 | 79.7 Ų | 79.7 | 34% | 0.34 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 13 | 177 | -58 | 178.2 | 0 | 0 | 0 | 113 | F698 G708 | F698-L710 HydrophobicContact CE2-CD2 3.84Å; F698-L710 HydrophobicContact CZ-CD2 4.13Å; G708-L710 PolarHBondContact O-N 3.07Å; G708-L710 VanDerWaalsContact O-N 3.08Å |
| 711 | C | 65.2 | Low | 62.1 | Low | 6 Ų | 6 | 86 Ų | 86 | 4% | 0.041 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 58.8 | -178.1 | -55.8 | 0 | 0 | 0 | 0 | 115.1 | N685 A687 C700 C702 G708 | N685-C711 PolarHBondContact ND2-O 3.38Å; A687-C711 HydrophobicContact CB-CB 3.84Å; A687-C711 WeakPolarHBondContact CB-SG 3.45Å; C700-C711 PolarHBondContact O-SG 2.8Å; C700-C711 VanDerWaalsContact O-SG 3.35Å; C702-C711 WeakPolarHBondContact CA-SG 3.35Å; C702-C711 HydrophobicContact CB-CB 3.75Å; C702-C711 WeakPolarHBondContact CB-SG 3.41Å; C702-C711 PolarHBondContact N-SG 3.5Å; C702-C711 VanDerWaalsContact N-SG 3.44Å; C702-C711 WeakPolarHBondContact SG-CA 3.49Å; C702-C711 WeakPolarHBondContact SG-CB 3.35Å; C702-C711 CovalentContact SG-SG 2.04Å; C702-C711 PolarHBondContact SG-SG 3.34Å; G708-C711 PolarHBondContact O-N 3.34Å |
| 712 | D | 65.9 | Low | 61.6 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | trans | -123.5 | -6.9 | -172.2 | 62.9 | -40.6 | 0 | 0 | 0 | 115.8 | T707 | T707-D712 PolarHBondContact O-N 3.28Š| ||
| 713 | L | 58.9 | Low | 61.4 | Low | 91 Ų | 91 | 88.9 Ų | 88.9 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 166.3 | -172.6 | -61.1 | 171.8 | 0 | 0 | 0 | 113.7 | F706 T707 | F706-L713 CarbonylContact C-O 3.56Å; F706-L713 WeakPolarHBondContact CA-O 3.32Å; F706-L713 WeakPolarHBondContact CB-O 3.19Å; T707-L713 HydrophobicContact CG2-CB 3.95Å; T707-L713 PolarHBondContact N-O 2.78Å; T707-L713 PolarHBondContact O-N 3.37Å |
| 714 | P | 57.8 | Low | 61.5 | Low | 103 Ų | 103 | 87.7 Ų | 87.7 | 67% | 0.669 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 161.2 | 176.8 | 1 | 21.8 | 0 | 0 | 0 | 115.6 | F705 T707 | F705-P714 VanDerWaalsContact O-CA 3.3Å; F705-P714 WeakPolarHBondContact O-CA 3.36Å; T707-P714 WeakPolarHBondContact CG2-O 3.06Å |
| 715 | Y | 60.1 | Low | 61.8 | Low | 118 Ų | 118 | 83.5 Ų | 83.5 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | trans | -145.9 | 149.3 | -171.2 | -178.4 | -113.5 | 0 | 0 | 0 | 118.4 | F705 P717 | F705-Y715 PolarHBondContact O-N 2.03Å; Y715-P717 HydrophobicContact CE1-CB 3.91Å | ||
| 716 | D | 63.4 | Low | 61.8 | Low | 107 Ų | 107 | 80 Ų | 80 | 57% | 0.572 | 44% | 0.438 | S | S | * | . | trans | -143.5 | 129.7 | 173.5 | -173.5 | -26.6 | 0 | 0 | 0 | 111.8 | ||||
| 717 | P | 57.9 | Low | 61.5 | Low | 18 Ų | 18 | 80 Ų | 80 | 12% | 0.117 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 4.6 | -164.5 | 38.7 | -42.5 | 0 | 0 | 0 | 119.7 | Y715 | Y715-P717 HydrophobicContact CE1-CB 3.91Š|
| 718 | C | 65.4 | Low | 61.4 | Low | 39 Ų | 39 | 80.9 Ų | 80.9 | 26% | 0.264 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 23.4 | 175.4 | -77.3 | 0 | 0 | 0 | 0 | 114.7 | T733 A739 | C718-T733 HydrophobicContact CB-CG2 3.32Å; C718-T733 WeakPolarHBondContact SG-CG2 3.27Å; C718-A739 VanDerWaalsContact SG-CB 3.56Å |
| 719 | D | 65 | Low | 61.4 | Low | 90 Ų | 90 | 80.5 Ų | 80.5 | 48% | 0.481 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -62.6 | 154.2 | 167.4 | -170.9 | 11.3 | 0 | 0 | 0 | 110.7 | L721 H722 N723 | D719-L721 PolarHBondContact O-N 3.37Å; D719-H722 PolarHBondContact O-N 2.87Å; D719-N723 PolarHBondContact O-N 2.86Å |
| 720 | S | 58.5 | Low | 61.6 | Low | 114 Ų | 114 | 78.5 Ų | 78.5 | 80% | 0.797 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | -22.6 | 175.3 | 55.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 721 | L | 51.7 | Low | 61.4 | Low | 141 Ų | 141 | 76.8 Ų | 76.8 | 74% | 0.738 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -17.4 | 177.9 | -155.2 | 73 | 0 | 0 | 0 | 114.4 | D719 | D719-L721 PolarHBondContact O-N 3.37Š|
| 722 | H | 58.8 | Low | 61.3 | Low | 102 Ų | 102 | 82.4 Ų | 82.4 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | trans | -128.3 | 16.2 | -168.9 | -63.1 | 109.3 | 0 | 0 | 0 | 114.4 | D719 P724 | D719-H722 PolarHBondContact O-N 2.87Å; H722-P724 VanDerWaalsContact O-CD 3.3Å; H722-P724 WeakPolarHBondContact O-CD 3.31Å | ||
| 723 | N | 59.3 | Low | 61.1 | Low | 80 Ų | 80 | 82.3 Ų | 82.3 | 43% | 0.428 | 47% | 0.473 | S | S | . | . | trans | -67.8 | 116.5 | 176.7 | 176.4 | 7 | 0 | 0 | 0 | 111.7 | D719 C725 C731 | D719-N723 PolarHBondContact O-N 2.86Å; N723-C725 PolarHBondContact O-N 2.98Å; N723-C725 PolarHBondContact OD1-N 3.04Å; N723-C731 WeakPolarHBondContact OD1-CB 3.01Å; N723-C731 PolarHBondContact OD1-SG 3.39Å | ||
| 724 | P | 65.1 | Low | 61.1 | Low | 53 Ų | 53 | 85.1 Ų | 85.1 | 34% | 0.344 | 48% | 0.478 | S | S | . | . | trans | -90.6 | 9.5 | -170.4 | 36.6 | -36.4 | 0 | 0 | 0 | 115.3 | H722 A739 L771 | H722-P724 VanDerWaalsContact O-CD 3.3Å; H722-P724 WeakPolarHBondContact O-CD 3.31Å; P724-A739 HydrophobicContact CG-CB 3.88Å; P724-L771 HydrophobicContact CB-CD2 4.48Å; P724-L771 HydrophobicContact CG-CD2 4.44Å | ||
| 725 | C | 64.8 | Low | 60.9 | Low | 18 Ų | 18 | 86.9 Ų | 86.9 | 12% | 0.122 | 49% | 0.492 | C | S | . | . | trans | -85 | 123.2 | -174.9 | -62.1 | 0 | 0 | 0 | 0 | 113 | N723 S729 C731 C741 | N723-C725 PolarHBondContact O-N 2.98Å; N723-C725 PolarHBondContact OD1-N 3.04Å; C725-S729 WeakPolarHBondContact CB-OG 3.35Å; C725-C731 HydrophobicContact CB-CB 4.41Å; C725-C731 WeakPolarHBondContact SG-CB 3.18Å; C725-C741 WeakPolarHBondContact CA-SG 3.17Å; C725-C741 HydrophobicContact CB-CB 3.79Å; C725-C741 WeakPolarHBondContact CB-SG 3.4Å; C725-C741 VanDerWaalsContact SG-CA 3.55Å; C725-C741 WeakPolarHBondContact SG-CB 3.42Å; C725-C741 CovalentContact SG-SG 2.03Å; C725-C741 PolarHBondContact SG-SG 2.7Å | ||
| 726 | L | 59.1 | Low | 60.8 | Low | 89 Ų | 89 | 87 Ų | 87 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | trans | -96.9 | 167.1 | -174 | -63.1 | 172.6 | 0 | 0 | 0 | 113.6 | G728 S729 L771 | L726-G728 VanDerWaalsContact C-N 3.32Å; L726-G728 PolarHBondContact O-N 2.96Å; L726-S729 PolarHBondContact N-OG 2.98Å; L726-S729 WeakPolarHBondContact O-CB 3.28Å; L726-S729 PolarHBondContact O-N 2.91Å; L726-S729 PolarHBondContact O-OG 3.34Å; L726-L771 PolarHBondContact N-O 3.33Å | ||
| 727 | H | 58.5 | Low | 60.6 | Low | 121 Ų | 121 | 83.7 Ų | 83.7 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.9 | 173.5 | -54.2 | 131.1 | 0 | 0 | 0 | 115.6 | C772 | H727-C772 PolarHBondContact ND1-O 3.36Š|
| 728 | G | 61.6 | Low | 60.7 | Low | 78 Ų | 78 | 85.7 Ų | 85.7 | 80% | 0.804 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 18.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L726 | L726-G728 VanDerWaalsContact C-N 3.32Å; L726-G728 PolarHBondContact O-N 2.96Å |
| 729 | S | 60.6 | Low | 60.3 | Low | 14 Ų | 14 | 85.2 Ų | 85.2 | 10% | 0.098 | 50% | 0.502 | C | S | . | . | trans | -82.5 | 164 | -178.8 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | C725 L726 R742 | C725-S729 WeakPolarHBondContact CB-OG 3.35Å; L726-S729 PolarHBondContact N-OG 2.98Å; L726-S729 WeakPolarHBondContact O-CB 3.28Å; L726-S729 PolarHBondContact O-N 2.91Å; L726-S729 PolarHBondContact O-OG 3.34Å; S729-R742 WeakPolarHBondContact CA-O 3.26Å; S729-R742 WeakPolarHBondContact CB-O 3.3Å | ||
| 730 | T | 68.2 | Low | 60.3 | Low | 105 Ų | 105 | 82.7 Ų | 82.7 | 64% | 0.644 | 49% | 0.492 | S | S | * | . | trans | -106.3 | 139.8 | -172.2 | -31.4 | 0 | 0 | 0 | 0 | 113.1 | C741 R742 | T730-C741 WeakPolarHBondContact O-CA 3.39Å; T730-R742 PolarHBondContact O-N 3.07Å | ||
| 731 | C | 64 | Low | 60.8 | Low | 29 Ų | 29 | 78.5 Ų | 78.5 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | trans | -113.9 | 150.8 | -167 | -165.9 | 0 | 0 | 0 | 0 | 116.1 | N723 C725 S740 | N723-C731 WeakPolarHBondContact OD1-CB 3.01Å; N723-C731 PolarHBondContact OD1-SG 3.39Å; C725-C731 HydrophobicContact CB-CB 4.41Å; C725-C731 WeakPolarHBondContact SG-CB 3.18Å; C731-S740 CarbonylContact C-O 3.54Å; C731-S740 WeakPolarHBondContact CA-O 3.09Å | ||
| 732 | L | 63.3 | Low | 61.4 | Low | 125 Ų | 125 | 81.5 Ų | 81.5 | 65% | 0.654 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 140.1 | -178.1 | -60.4 | 170.3 | 0 | 0 | 0 | 113.5 | A739 S740 | L732-A739 CarbonylContact O-C 3.31Å; L732-A739 VanDerWaalsContact O-CA 3.32Å; L732-A739 WeakPolarHBondContact O-CA 3.3Å; L732-S740 PolarHBondContact N-O 3.03Å; L732-S740 PolarHBondContact O-N 2.82Å |
| 733 | T | 60.8 | Low | 61.7 | Low | 94 Ų | 94 | 79.9 Ų | 79.9 | 58% | 0.577 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 154.6 | 177.2 | 43 | 0 | 0 | 0 | 0 | 115.3 | C718 T738 | C718-T733 HydrophobicContact CB-CG2 3.32Å; C718-T733 WeakPolarHBondContact SG-CG2 3.27Å; T733-T738 CarbonylContact C-O 3.57Å |
| 734 | R | 60 | Low | 61.6 | Low | 149 Ų | 149 | 81 Ų | 81 | 56% | 0.562 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 153 | 174.4 | -60.6 | -174.5 | -177.2 | -172.4 | 6.2 | 113 | N736 G737 T738 S740 | R734-N736 PolarHBondContact O-N 2.83Å; R734-G737 PolarHBondContact O-N 3.17Å; R734-T738 PolarHBondContact N-O 2.88Å; R734-S740 PolarHBondContact NH2-OG 3.04Å |
| 735 | S | 54 | Low | 61 | Low | 140 Ų | 140 | 83.3 Ų | 83.3 | 98% | 0.979 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 3.8 | -171.6 | 61.5 | 0 | 0 | 0 | 0 | 116.6 | ||
| 736 | N | 56.9 | Low | 60.3 | Low | 122 Ų | 122 | 86.3 Ų | 86.3 | 65% | 0.652 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 2.8 | 169.7 | 71.7 | -32.5 | 0 | 0 | 0 | 112.9 | R734 T738 | R734-N736 PolarHBondContact O-N 2.83Å; N736-T738 PolarHBondContact OD1-OG1 3.28Å; N736-T738 VanDerWaalsContact OD1-OG1 3.07Å |
| 737 | G | 58.6 | Low | 59.3 | Low | 36 Ų | 36 | 91.9 Ų | 91.9 | 37% | 0.371 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 90.4 | 35.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R734 | R734-G737 PolarHBondContact O-N 3.17Š|
| 738 | T | 60.6 | Low | 58.5 | Low | 61 Ų | 61 | 96.6 Ų | 96.6 | 37% | 0.374 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135 | 169.7 | 177.1 | 69 | 0 | 0 | 0 | 0 | 114.4 | T733 R734 N736 | T733-T738 CarbonylContact C-O 3.57Å; R734-T738 PolarHBondContact N-O 2.88Å; N736-T738 PolarHBondContact OD1-OG1 3.28Å; N736-T738 VanDerWaalsContact OD1-OG1 3.07Å |
| 739 | A | 57.1 | Low | 57.2 | Low | 28 Ų | 28 | 100.1 Ų | 100.1 | 23% | 0.231 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.5 | 170.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | C718 P724 L732 | C718-A739 VanDerWaalsContact SG-CB 3.56Å; P724-A739 HydrophobicContact CG-CB 3.88Å; L732-A739 CarbonylContact O-C 3.31Å; L732-A739 VanDerWaalsContact O-CA 3.32Å; L732-A739 WeakPolarHBondContact O-CA 3.3Å |
| 740 | S | 65.9 | Low | 56 | Low | 37 Ų | 37 | 105.7 Ų | 105.7 | 26% | 0.259 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -158.5 | 138.3 | -173.6 | -166.8 | 0 | 0 | 0 | 0 | 114.2 | C731 L732 R734 | C731-S740 CarbonylContact C-O 3.54Å; C731-S740 WeakPolarHBondContact CA-O 3.09Å; L732-S740 PolarHBondContact N-O 3.03Å; L732-S740 PolarHBondContact O-N 2.82Å; R734-S740 PolarHBondContact NH2-OG 3.04Å |
| 741 | C | 68.5 | Low | 54.1 | Low | 27 Ų | 27 | 106.7 Ų | 106.7 | 18% | 0.182 | 61% | 0.613 | C | S | . | * | trans | -121.6 | 172 | -165.6 | -52.3 | 0 | 0 | 0 | 0 | 117 | C725 T730 L771 | C725-C741 WeakPolarHBondContact CA-SG 3.17Å; C725-C741 HydrophobicContact CB-CB 3.79Å; C725-C741 WeakPolarHBondContact CB-SG 3.4Å; C725-C741 VanDerWaalsContact SG-CA 3.55Å; C725-C741 WeakPolarHBondContact SG-CB 3.42Å; C725-C741 CovalentContact SG-SG 2.03Å; C725-C741 PolarHBondContact SG-SG 2.7Å; T730-C741 WeakPolarHBondContact O-CA 3.39Å; C741-L771 VanDerWaalsContact SG-CD2 3.51Å | ||
| 742 | R | 64.9 | Low | 52.6 | Low | 204 Ų | 204 | 110 Ų | 110 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | trans | -152.6 | 122 | 177.4 | -174.9 | 177.4 | -175.6 | 159.7 | 3.3 | 115.3 | S729 T730 | S729-R742 WeakPolarHBondContact CA-O 3.26Å; S729-R742 WeakPolarHBondContact CB-O 3.3Å; T730-R742 PolarHBondContact O-N 3.07Å | ||
| 743 | C | 63.8 | Low | 51.3 | Low | 68 Ų | 68 | 108.9 Ų | 108.9 | 46% | 0.459 | 64% | 0.639 | S | S | . | * | trans | -96.4 | 156.5 | -168.4 | -32.6 | 0 | 0 | 0 | 0 | 116.8 | C772 | C743-C772 HydrophobicContact CB-CB 3.99Å; C743-C772 WeakPolarHBondContact CB-SG 3.49Å; C743-C772 WeakPolarHBondContact SG-CB 3.39Å; C743-C772 CovalentContact SG-SG 2.03Å; C743-C772 PolarHBondContact SG-SG 3.39Å | ||
| 744 | P | 57.1 | Low | 50 | Low | 103 Ų | 103 | 111.5 Ų | 111.5 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | trans | -100.7 | 175.6 | 174.4 | 38.7 | -34.1 | 0 | 0 | 0 | 115.4 | ||||
| 745 | A | 53.2 | Low | 48.7 | Very low | 102 Ų | 102 | 111.3 Ų | 111.3 | 84% | 0.843 | 66% | 0.657 | S | S | * | * | trans | -125.8 | 150.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 746 | G | 49.3 | Very low | 47.9 | Very low | 80 Ų | 80 | 110.7 Ų | 110.7 | 83% | 0.825 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 159.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 747 | E | 39.6 | Very low | 46.8 | Very low | 206 Ų | 206 | 109.7 Ų | 109.7 | 96% | 0.963 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 160.4 | -175.3 | -65.6 | -173.8 | 132 | 0 | 0 | 114.4 | ||
| 748 | R | 40.7 | Very low | 45.6 | Very low | 221 Ų | 221 | 117.6 Ų | 117.6 | 83% | 0.834 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -101 | 148.8 | -179 | -69.8 | -177.2 | 172 | -156.8 | -4.1 | 112.9 | ||
| 749 | T | 33.7 | Very low | 44.3 | Very low | 151 Ų | 151 | 121.9 Ų | 121.9 | 93% | 0.926 | 69% | 0.694 | S | S | * | * | trans | -129.6 | 144.3 | 154.2 | -40.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 750 | L | 35.9 | Very low | 43 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | trans | -135.8 | 139.2 | -164.7 | -114 | 159.1 | 0 | 0 | 0 | 111.1 | ||||
| 751 | C | 29.4 | Very low | 41.9 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 86% | 0.858 | 74% | 0.741 | S | S | * | * | trans | -167.4 | 101.6 | 148.3 | -98.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 752 | S | 32.3 | Very low | 40.4 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | 84 | 96.3 | 90.1 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 753 | S | 34.4 | Very low | 39.4 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | -170.7 | 163.1 | 80.3 | -67 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 754 | L | 33.7 | Very low | 38.3 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | cis | -158.9 | 153.7 | -8.3 | -111.8 | 164.9 | 0 | 0 | 0 | 109.1 | ||||
| 755 | I | 34.3 | Very low | 37.8 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 56 | 80.7 | 160.1 | -45.6 | 177.5 | 0 | 0 | 0 | 119.8 | ||||
| 756 | V | 36.5 | Very low | 37.9 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | 37.9 | 119.8 | 115.9 | -174.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 757 | S | 33.4 | Very low | 38.2 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | -169.5 | 124.3 | 119.7 | -83.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 758 | F | 34.2 | Very low | 39 | Very low | 203 Ų | 203 | 136.8 Ų | 136.8 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | trans | 62.4 | 85.1 | 167.7 | -60.8 | -72.3 | 0 | 0 | 0 | 120.5 | ||||
| 759 | L | 32.8 | Very low | 39.8 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 144.5 | 154.4 | -90.9 | 78 | 0 | 0 | 0 | 111.8 | L761 | L759-L761 HydrophobicContact CD2-CG 4.22Š|
| 760 | H | 30.2 | Very low | 40.9 | Very low | 186 Ų | 186 | 125.4 Ų | 125.4 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 126.6 | 134.7 | -140.3 | -76.2 | 0 | 0 | 0 | 107.1 | I762 | H760-I762 PolarHBondContact O-N 2.99Š|
| 761 | L | 42.7 | Very low | 42 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 62% | 0.623 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 131.9 | -176.8 | -74.8 | 90.5 | 0 | 0 | 0 | 111.3 | L759 Y763 | L759-L761 HydrophobicContact CD2-CG 4.22Å; L761-Y763 HydrophobicContact CD2-CE2 4.25Å |
| 762 | I | 36.3 | Very low | 43.4 | Very low | 140 Ų | 140 | 116 Ų | 116 | 72% | 0.718 | 64% | 0.637 | S | S | * | * | trans | -126.2 | 123 | 155.9 | -58.8 | -178.6 | 0 | 0 | 0 | 107.4 | H760 L764 | H760-I762 PolarHBondContact O-N 2.99Å; I762-L764 HydrophobicContact CG2-CD1 3.92Å; I762-L764 HydrophobicContact CG2-CG 4.13Å | ||
| 763 | Y | 44.6 | Very low | 44.6 | Very low | 216 Ų | 216 | 115 Ų | 115 | 85% | 0.847 | 62% | 0.622 | S | S | * | * | trans | -79.5 | 126.1 | 167.4 | -83.3 | -110.4 | 0 | 0 | 0 | 108 | L761 | L761-Y763 HydrophobicContact CD2-CE2 4.25Š| ||
| 764 | L | 39.2 | Very low | 45.8 | Very low | 152 Ų | 152 | 114.3 Ų | 114.3 | 80% | 0.796 | 61% | 0.61 | S | S | * | * | trans | -123.3 | 127.2 | 170.4 | -84.7 | 142.9 | 0 | 0 | 0 | 109.3 | I762 | I762-L764 HydrophobicContact CG2-CD1 3.92Å; I762-L764 HydrophobicContact CG2-CG 4.13Å | ||
| 765 | S | 47.8 | Very low | 46.7 | Very low | 80 Ų | 80 | 109.6 Ų | 109.6 | 56% | 0.559 | 59% | 0.585 | S | S | * | * | trans | -86.3 | 138.3 | 175.6 | 45.1 | 0 | 0 | 0 | 0 | 110 | F767 | S765-F767 PolarHBondContact O-N 2.9Å; S765-F767 VanDerWaalsContact O-N 3.09Å | ||
| 766 | G | 54.9 | Low | 47.9 | Very low | 48 Ų | 48 | 106.1 Ų | 106.1 | 50% | 0.495 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -64.6 | -12.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 767 | F | 56.1 | Low | 48.9 | Very low | 94 Ų | 94 | 104.4 Ų | 104.4 | 41% | 0.412 | 56% | 0.557 | S | S | . | * | trans | -140.1 | 143.2 | 173.5 | -65.2 | -81.5 | 0 | 0 | 0 | 110.9 | S765 I774 D775 | S765-F767 PolarHBondContact O-N 2.9Å; S765-F767 VanDerWaalsContact O-N 3.09Å; F767-I774 VanDerWaalsContact CA-O 3.31Å; F767-I774 WeakPolarHBondContact CA-O 3.4Å; F767-D775 HydrophobicContact CD1-CB 4.41Å; F767-D775 HydrophobicContact CE1-CB 3.98Å | ||
| 768 | Q | 56.7 | Low | 50.4 | Low | 133 Ų | 133 | 102.7 Ų | 102.7 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | B | Isolated β-bridge | trans | -131.3 | 167.8 | 170.2 | 71.5 | 170 | -1.1 | 0 | 0 | 112.2 | E773 I774 | Q768-E773 PolarHBondContact O-N 3.05Å; Q768-I774 HydrophobicContact CG-CB 4.41Å; Q768-I774 PolarHBondContact N-O 3.44Å; Q768-I774 VanDerWaalsContact O-CB 3.28Å; Q768-I774 WeakPolarHBondContact O-CB 3.42Å; Q768-I774 WeakPolarHBondContact O-CG1 3.21Å; Q768-I774 PolarHBondContact O-N 2.03Å |
| 769 | G | 56.3 | Low | 52 | Low | 42 Ų | 42 | 93.9 Ų | 93.9 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | S | Bend | trans | 130.8 | -178.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E773 | G769-E773 WeakPolarHBondContact CA-OE2 3.41Š|
| 770 | S | 57 | Low | 53.4 | Low | 91 Ų | 91 | 90 Ų | 90 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -87.7 | -18.1 | -173.8 | 67.6 | 0 | 0 | 0 | 0 | 114 | E773 | S770-E773 PolarHBondContact N-OE1 3.44Å; S770-E773 PolarHBondContact N-OE2 2.02Å; S770-E773 PolarHBondContact OG-OE1 3.04Å |
| 771 | L | 60 | Low | 54.9 | Low | 57 Ų | 57 | 85.4 Ų | 85.4 | 30% | 0.298 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -121.3 | 4.2 | 178.5 | -58.1 | 175.1 | 0 | 0 | 0 | 112.4 | P724 L726 C741 E773 | P724-L771 HydrophobicContact CB-CD2 4.48Å; P724-L771 HydrophobicContact CG-CD2 4.44Å; L726-L771 PolarHBondContact N-O 3.33Å; C741-L771 VanDerWaalsContact SG-CD2 3.51Å; L771-E773 VanDerWaalsContact C-OE2 3.28Å; L771-E773 WeakPolarHBondContact CA-OE2 3.34Å; L771-E773 PolarHBondContact N-OE1 2.86Å; L771-E773 PolarHBondContact N-OE2 2.86Å |
| 772 | C | 58.4 | Low | 55.8 | Low | 3 Ų | 3 | 86.5 Ų | 86.5 | 2% | 0.02 | 49% | 0.493 | C | S | . | . | S | Bend | trans | 73.2 | 48.4 | -175.1 | -40.5 | 0 | 0 | 0 | 0 | 113.9 | H727 C743 | H727-C772 PolarHBondContact ND1-O 3.36Å; C743-C772 HydrophobicContact CB-CB 3.99Å; C743-C772 WeakPolarHBondContact CB-SG 3.49Å; C743-C772 WeakPolarHBondContact SG-CB 3.39Å; C743-C772 CovalentContact SG-SG 2.03Å; C743-C772 PolarHBondContact SG-SG 3.39Å |
| 773 | E | 58 | Low | 57.4 | Low | 79 Ų | 79 | 81.1 Ų | 81.1 | 37% | 0.369 | 47% | 0.467 | S | S | . | . | trans | -117.9 | -9.3 | -155.3 | 71.7 | -80.1 | -151.3 | 0 | 0 | 118 | Q768 G769 S770 L771 | Q768-E773 PolarHBondContact O-N 3.05Å; G769-E773 WeakPolarHBondContact CA-OE2 3.41Å; S770-E773 PolarHBondContact N-OE1 3.44Å; S770-E773 PolarHBondContact N-OE2 2.02Å; S770-E773 PolarHBondContact OG-OE1 3.04Å; L771-E773 VanDerWaalsContact C-OE2 3.28Å; L771-E773 WeakPolarHBondContact CA-OE2 3.34Å; L771-E773 PolarHBondContact N-OE1 2.86Å; L771-E773 PolarHBondContact N-OE2 2.86Å | ||
| 774 | I | 57.8 | Low | 58.9 | Low | 86 Ų | 86 | 72 Ų | 72 | 44% | 0.441 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | -114.3 | 124.2 | -172.6 | -48.1 | -179.9 | 0 | 0 | 0 | 112 | F767 Q768 | F767-I774 VanDerWaalsContact CA-O 3.31Å; F767-I774 WeakPolarHBondContact CA-O 3.4Å; Q768-I774 HydrophobicContact CG-CB 4.41Å; Q768-I774 PolarHBondContact N-O 3.44Å; Q768-I774 VanDerWaalsContact O-CB 3.28Å; Q768-I774 WeakPolarHBondContact O-CB 3.42Å; Q768-I774 WeakPolarHBondContact O-CG1 3.21Å; Q768-I774 PolarHBondContact O-N 2.03Å |
| 775 | D | 54.2 | Low | 60.5 | Low | 51 Ų | 51 | 69.7 Ų | 69.7 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 159.2 | 171.6 | -158.1 | 25.7 | 0 | 0 | 0 | 111.1 | F767 V794 N795 | F767-D775 HydrophobicContact CD1-CB 4.41Å; F767-D775 HydrophobicContact CE1-CB 3.98Å; D775-V794 WeakPolarHBondContact OD2-CG1 3.47Å; D775-N795 PolarHBondContact OD1-ND2 2.97Å; D775-N795 VanDerWaalsContact OD1-ND2 3.08Å; D775-N795 PolarHBondContact OD2-N 3.24Å; D775-N795 PolarHBondContact OD2-ND2 3.37Å |
| 776 | T | 58.6 | Low | 61.4 | Low | 70 Ų | 70 | 69.1 Ų | 69.1 | 43% | 0.429 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -96.2 | 153 | -178.2 | -47.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 777 | N | 58.4 | Low | 62.1 | Low | 93 Ų | 93 | 75 Ų | 75 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 126.2 | -179.2 | 175.1 | -73.4 | 0 | 0 | 0 | 110.5 | C779 G780 D792 | N777-C779 PolarHBondContact OD1-N 2.86Å; N777-G780 PolarHBondContact OD1-N 2.95Å; N777-D792 PolarHBondContact ND2-OD1 2.84Å; N777-D792 PolarHBondContact ND2-OD2 2.03Å |
| 778 | E | 64.9 | Low | 62.8 | Low | 64 Ų | 64 | 71.1 Ų | 71.1 | 30% | 0.299 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -96.5 | -25.1 | -173.5 | -82.4 | 75.7 | -120.2 | 0 | 0 | 113.8 | G780 S781 D792 G796 F797 | E778-G780 PolarHBondContact O-N 3.42Å; E778-G780 VanDerWaalsContact O-N 3.13Å; E778-S781 PolarHBondContact O-N 2.81Å; E778-S781 PolarHBondContact O-OG 3.47Å; E778-D792 PolarHBondContact N-OD1 3.4Å; E778-G796 PolarHBondContact OE2-N 3.38Å; E778-F797 HydrophobicContact CB-CD1 4.29Å |
| 779 | C | 67.4 | Low | 63.9 | Low | 18 Ų | 18 | 72 Ų | 72 | 12% | 0.122 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -62.8 | -16.8 | 177.2 | -89.2 | 0 | 0 | 0 | 0 | 114.1 | N777 S781 N782 C790 V791 D792 | N777-C779 PolarHBondContact OD1-N 2.86Å; C779-S781 PolarHBondContact O-N 2.97Å; C779-N782 PolarHBondContact O-N 3.09Å; C779-N782 VanDerWaalsContact O-N 3.1Å; C779-C790 HydrophobicContact CB-CB 4.09Å; C779-C790 WeakPolarHBondContact CB-SG 3.3Å; C779-C790 WeakPolarHBondContact SG-CB 3.3Å; C779-C790 CovalentContact SG-SG 2.05Å; C779-C790 PolarHBondContact SG-SG 2.94Å; C779-V791 VanDerWaalsContact SG-C 3.53Å; C779-D792 HydrophobicContact CB-CB 4.21Å; C779-D792 PolarHBondContact N-OD1 3.32Å; C779-D792 PolarHBondContact SG-N 2.83Å; C779-D792 VanDerWaalsContact SG-N 3.37Å |
| 780 | G | 61.9 | Low | 64.8 | Low | 67 Ų | 67 | 71.8 Ų | 71.8 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -59.9 | -6.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | N777 E778 | N777-G780 PolarHBondContact OD1-N 2.95Å; E778-G780 PolarHBondContact O-N 3.42Å; E778-G780 VanDerWaalsContact O-N 3.13Å |
| 781 | S | 61.9 | Low | 65.7 | Low | 90 Ų | 90 | 69.4 Ų | 69.4 | 63% | 0.629 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -93.9 | -2.9 | 176.4 | 59.7 | 0 | 0 | 0 | 0 | 115.1 | E778 C779 | E778-S781 PolarHBondContact O-N 2.81Å; E778-S781 PolarHBondContact O-OG 3.47Å; C779-S781 PolarHBondContact O-N 2.97Å |
| 782 | N | 61.6 | Low | 65.9 | Low | 142 Ų | 142 | 69.5 Ų | 69.5 | 76% | 0.759 | 39% | 0.387 | S | S | * | . | trans | 52.1 | 61.9 | -174.3 | -63.1 | -39.3 | 0 | 0 | 0 | 114.8 | C779 | C779-N782 PolarHBondContact O-N 3.09Å; C779-N782 VanDerWaalsContact O-N 3.1Å | ||
| 783 | P | 70.3 | Confident | 66.2 | Low | 27 Ų | 27 | 73.9 Ų | 73.9 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | trans | -82.2 | -13.7 | -171.8 | 32.6 | -37.6 | 0 | 0 | 0 | 116.4 | F797 | P783-F797 HydrophobicContact CB-CD2 4.27Å; P783-F797 HydrophobicContact CB-CE1 4.11Å; P783-F797 HydrophobicContact CB-CE2 3.49Å; P783-F797 VanDerWaalsContact CB-CE2 3.49Å; P783-F797 HydrophobicContact CB-CZ 3.4Å; P783-F797 HydrophobicContact CG-CD1 4.21Å; P783-F797 HydrophobicContact CG-CD2 3.5Å; P783-F797 HydrophobicContact CG-CE1 3.98Å; P783-F797 HydrophobicContact CG-CE2 3.24Å; P783-F797 HydrophobicContact CG-CG 4.01Å; P783-F797 HydrophobicContact CG-CZ 3.51Å | ||
| 784 | C | 75.6 | Confident | 66 | Low | 26 Ų | 26 | 76.3 Ų | 76.3 | 18% | 0.176 | 43% | 0.427 | C | S | . | . | trans | -84.4 | 141.4 | -177.9 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | G788 C790 C799 | C784-G788 WeakPolarHBondContact CB-O 3Å; C784-C790 WeakPolarHBondContact SG-CA 3.4Å; C784-C790 VanDerWaalsContact SG-CB 3.57Å; C784-C799 WeakPolarHBondContact CA-SG 3.03Å; C784-C799 HydrophobicContact CB-CB 3.81Å; C784-C799 WeakPolarHBondContact CB-SG 3.3Å; C784-C799 VanDerWaalsContact SG-CA 3.59Å; C784-C799 WeakPolarHBondContact SG-CB 3.44Å; C784-C799 CovalentContact SG-SG 2.03Å; C784-C799 PolarHBondContact SG-SG 3.49Å | ||
| 785 | Q | 71.9 | Confident | 65.7 | Low | 102 Ų | 102 | 77.6 Ų | 77.6 | 48% | 0.477 | 44% | 0.435 | S | S | . | . | trans | -102 | 175.5 | -179.1 | -57.9 | -172.8 | 43.3 | 0 | 0 | 111.5 | H787 G788 L809 | Q785-H787 VanDerWaalsContact C-N 3.26Å; Q785-H787 PolarHBondContact O-N 3.15Å; Q785-G788 PolarHBondContact O-N 3.17Å; Q785-L809 PolarHBondContact N-O 2.83Å | ||
| 786 | N | 67.8 | Low | 66 | Low | 68 Ų | 68 | 76.2 Ų | 76.2 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 41.8 | 173.9 | -61.3 | -33.3 | 0 | 0 | 0 | 115.3 | G788 F805 C810 | N786-G788 PolarHBondContact O-N 3.46Å; N786-G788 VanDerWaalsContact O-N 3.17Å; N786-F805 HydrophobicContact CB-CD1 4.31Å; N786-F805 HydrophobicContact CB-CD2 4.21Å; N786-F805 HydrophobicContact CB-CE1 4.42Å; N786-F805 HydrophobicContact CB-CE2 4.3Å; N786-F805 HydrophobicContact CB-CG 4.2Å; N786-F805 HydrophobicContact CB-CZ 4.41Å; N786-C810 WeakPolarHBondContact CB-O 3.44Å; N786-C810 PolarHBondContact ND2-O 3.5Å |
| 787 | H | 68.9 | Low | 66.4 | Low | 171 Ų | 171 | 76.6 Ų | 76.6 | 79% | 0.792 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 21.8 | -178.4 | -59.8 | -112.6 | 0 | 0 | 0 | 114.8 | Q785 Q802 | Q785-H787 VanDerWaalsContact C-N 3.26Å; Q785-H787 PolarHBondContact O-N 3.15Å; H787-Q802 PolarHBondContact O-NE2 3.42Å |
| 788 | G | 70.8 | Confident | 67.1 | Low | 14 Ų | 14 | 76.9 Ų | 76.9 | 14% | 0.144 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 148.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C784 Q785 N786 D800 | C784-G788 WeakPolarHBondContact CB-O 3Å; Q785-G788 PolarHBondContact O-N 3.17Å; N786-G788 PolarHBondContact O-N 3.46Å; N786-G788 VanDerWaalsContact O-N 3.17Å; G788-D800 CarbonylContact C-O 3.46Å; G788-D800 WeakPolarHBondContact CA-O 3.33Å |
| 789 | K | 79.5 | Confident | 67.8 | Low | 151 Ų | 151 | 74.6 Ų | 74.6 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.7 | -172 | -173.6 | -179.9 | 178.1 | -175.9 | 0 | 111.5 | C799 D800 | K789-C799 WeakPolarHBondContact O-CA 3.48Å; K789-D800 PolarHBondContact N-O 2.84Å; K789-D800 PolarHBondContact O-N 2.87Å |
| 790 | C | 75.1 | Confident | 68.3 | Low | 38 Ų | 38 | 77.2 Ų | 77.2 | 26% | 0.257 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 134.3 | 175.7 | -160.4 | 0 | 0 | 0 | 0 | 111.4 | C779 C784 | C779-C790 HydrophobicContact CB-CB 4.09Å; C779-C790 WeakPolarHBondContact CB-SG 3.3Å; C779-C790 WeakPolarHBondContact SG-CB 3.3Å; C779-C790 CovalentContact SG-SG 2.05Å; C779-C790 PolarHBondContact SG-SG 2.94Å; C784-C790 WeakPolarHBondContact SG-CA 3.4Å; C784-C790 VanDerWaalsContact SG-CB 3.57Å |
| 791 | V | 75.9 | Confident | 69 | Low | 41 Ų | 41 | 76.4 Ų | 76.4 | 25% | 0.248 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 115.7 | 173 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | C779 F797 R798 | C779-V791 VanDerWaalsContact SG-C 3.53Å; V791-F797 WeakPolarHBondContact O-CA 3.42Å; V791-R798 HydrophobicContact CB-CG 4.2Å; V791-R798 PolarHBondContact N-O 3.45Å; V791-R798 PolarHBondContact O-N 3.13Å |
| 792 | D | 65.3 | Low | 69.4 | Low | 59 Ų | 59 | 77.7 Ų | 77.7 | 32% | 0.316 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 147.1 | -177.8 | -159.8 | 61.7 | 0 | 0 | 0 | 111.5 | N777 E778 C779 | N777-D792 PolarHBondContact ND2-OD1 2.84Å; N777-D792 PolarHBondContact ND2-OD2 2.03Å; E778-D792 PolarHBondContact N-OD1 3.4Å; C779-D792 HydrophobicContact CB-CB 4.21Å; C779-D792 PolarHBondContact N-OD1 3.32Å; C779-D792 PolarHBondContact SG-N 2.83Å; C779-D792 VanDerWaalsContact SG-N 3.37Å |
| 793 | Q | 64.3 | Low | 69.5 | Low | 94 Ų | 94 | 78.7 Ų | 78.7 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 161.4 | -179.5 | -60.2 | -169.5 | -46.7 | 0 | 0 | 109.8 | N795 G796 | Q793-N795 PolarHBondContact O-N 3.22Å; Q793-N795 VanDerWaalsContact O-N 3.08Å; Q793-G796 CarbonylContact C-O 3.34Å; Q793-G796 WeakPolarHBondContact CA-O 3.01Å; Q793-G796 PolarHBondContact N-O 2.89Å; Q793-G796 PolarHBondContact O-N 3.5Å; Q793-G796 VanDerWaalsContact O-N 3.08Å |
| 794 | V | 53.7 | Low | 69.4 | Low | 130 Ų | 130 | 77.5 Ų | 77.5 | 79% | 0.788 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 114 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | D775 | D775-V794 WeakPolarHBondContact OD2-CG1 3.47Š|
| 795 | N | 52 | Low | 69.2 | Low | 114 Ų | 114 | 78.3 Ų | 78.3 | 61% | 0.61 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 41.1 | -170.7 | -78.1 | -115.2 | 0 | 0 | 0 | 114.5 | D775 Q793 | D775-N795 PolarHBondContact OD1-ND2 2.97Å; D775-N795 VanDerWaalsContact OD1-ND2 3.08Å; D775-N795 PolarHBondContact OD2-N 3.24Å; D775-N795 PolarHBondContact OD2-ND2 3.37Å; Q793-N795 PolarHBondContact O-N 3.22Å; Q793-N795 VanDerWaalsContact O-N 3.08Å |
| 796 | G | 60.7 | Low | 69.2 | Low | 22 Ų | 22 | 75.6 Ų | 75.6 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.1 | -174.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E778 Q793 | E778-G796 PolarHBondContact OE2-N 3.38Å; Q793-G796 CarbonylContact C-O 3.34Å; Q793-G796 WeakPolarHBondContact CA-O 3.01Å; Q793-G796 PolarHBondContact N-O 2.89Å; Q793-G796 PolarHBondContact O-N 3.5Å; Q793-G796 VanDerWaalsContact O-N 3.08Å |
| 797 | F | 66.7 | Low | 69.2 | Low | 77 Ų | 77 | 73.8 Ų | 73.8 | 34% | 0.338 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 163.8 | 175.5 | 69.7 | -88.3 | 0 | 0 | 0 | 111 | E778 P783 V791 L809 | E778-F797 HydrophobicContact CB-CD1 4.29Å; P783-F797 HydrophobicContact CB-CD2 4.27Å; P783-F797 HydrophobicContact CB-CE1 4.11Å; P783-F797 HydrophobicContact CB-CE2 3.49Å; P783-F797 VanDerWaalsContact CB-CE2 3.49Å; P783-F797 HydrophobicContact CB-CZ 3.4Å; P783-F797 HydrophobicContact CG-CD1 4.21Å; P783-F797 HydrophobicContact CG-CD2 3.5Å; P783-F797 HydrophobicContact CG-CE1 3.98Å; P783-F797 HydrophobicContact CG-CE2 3.24Å; P783-F797 HydrophobicContact CG-CG 4.01Å; P783-F797 HydrophobicContact CG-CZ 3.51Å; V791-F797 WeakPolarHBondContact O-CA 3.42Å; F797-L809 HydrophobicContact CE2-CD2 3.61Å; F797-L809 HydrophobicContact CZ-CD2 3.97Å |
| 798 | R | 74 | Confident | 69.2 | Low | 99 Ų | 99 | 72.9 Ų | 72.9 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 164.3 | 168.9 | 72.3 | 170.2 | -158.4 | -74.5 | -7.6 | 111.8 | V791 D800 | V791-R798 HydrophobicContact CB-CG 4.2Å; V791-R798 PolarHBondContact N-O 3.45Å; V791-R798 PolarHBondContact O-N 3.13Å; R798-D800 IonicContact CZ-OD1 2.78Å; R798-D800 IonicContact NE-OD1 3.59Å; R798-D800 PolarHBondContact NE-OD1 2.97Å; R798-D800 IonicContact NH2-OD1 2.64Å; R798-D800 IonicContact NH2-OD2 3.37Å; R798-D800 PolarHBondContact NH2-OD2 2.9Å |
| 799 | C | 79.5 | Confident | 69.3 | Low | 16 Ų | 16 | 74.7 Ų | 74.7 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.1 | 177.4 | -59 | 0 | 0 | 0 | 0 | 111 | C784 K789 | C784-C799 WeakPolarHBondContact CA-SG 3.03Å; C784-C799 HydrophobicContact CB-CB 3.81Å; C784-C799 WeakPolarHBondContact CB-SG 3.3Å; C784-C799 VanDerWaalsContact SG-CA 3.59Å; C784-C799 WeakPolarHBondContact SG-CB 3.44Å; C784-C799 CovalentContact SG-SG 2.03Å; C784-C799 PolarHBondContact SG-SG 3.49Å; K789-C799 WeakPolarHBondContact O-CA 3.48Å |
| 800 | D | 77.9 | Confident | 69 | Low | 74 Ų | 74 | 67.5 Ų | 67.5 | 40% | 0.396 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 119.9 | 170.4 | -61.7 | -23.1 | 0 | 0 | 0 | 108.7 | G788 K789 R798 | G788-D800 CarbonylContact C-O 3.46Å; G788-D800 WeakPolarHBondContact CA-O 3.33Å; K789-D800 PolarHBondContact N-O 2.84Å; K789-D800 PolarHBondContact O-N 2.87Å; R798-D800 IonicContact CZ-OD1 2.78Å; R798-D800 IonicContact NE-OD1 3.59Å; R798-D800 PolarHBondContact NE-OD1 2.97Å; R798-D800 IonicContact NH2-OD1 2.64Å; R798-D800 IonicContact NH2-OD2 3.37Å; R798-D800 PolarHBondContact NH2-OD2 2.9Å |
| 801 | C | 76.7 | Confident | 68.8 | Low | 50 Ų | 50 | 69.5 Ų | 69.5 | 34% | 0.338 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 153.7 | -168.9 | -51 | 0 | 0 | 0 | 0 | 114.3 | C810 | C801-C810 WeakPolarHBondContact CA-SG 3.49Å; C801-C810 HydrophobicContact CB-CB 3.75Å; C801-C810 WeakPolarHBondContact CB-SG 3.42Å; C801-C810 WeakPolarHBondContact SG-CA 3.48Å; C801-C810 WeakPolarHBondContact SG-CB 3Å; C801-C810 CovalentContact SG-SG 2.04Å; C801-C810 PolarHBondContact SG-SG 2.92Å |
| 802 | Q | 69.9 | Low | 68.5 | Low | 116 Ų | 116 | 73 Ų | 73 | 54% | 0.542 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 157.3 | 172.3 | -60 | -166.3 | 21.3 | 0 | 0 | 111.2 | H787 G804 F805 | H787-Q802 PolarHBondContact O-NE2 3.42Å; Q802-G804 PolarHBondContact O-N 2.02Å; Q802-F805 PolarHBondContact O-N 3.3Å; Q802-F805 VanDerWaalsContact O-N 3.1Å |
| 803 | M | 64.2 | Low | 68.5 | Low | 163 Ų | 163 | 73.7 Ų | 73.7 | 80% | 0.803 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 133.3 | -179.5 | -61.4 | -172.7 | -173 | 0 | 0 | 111.1 | ||
| 804 | G | 66.9 | Low | 68.8 | Low | 3 Ų | 3 | 72.5 Ų | 72.5 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | -19.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q802 I814 N833 | Q802-G804 PolarHBondContact O-N 2.02Å; G804-I814 WeakPolarHBondContact O-CB 3.45Å; G804-I814 WeakPolarHBondContact O-CG1 3.35Å; G804-I814 PolarHBondContact O-N 3.49Å; G804-N833 PolarHBondContact N-OD1 3.47Å |
| 805 | F | 71.3 | Confident | 69.6 | Low | 43 Ų | 43 | 70.3 Ų | 70.3 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.5 | -178.6 | -62.6 | -76.8 | 0 | 0 | 0 | 113.8 | N786 Q802 E812 D813 V832 | N786-F805 HydrophobicContact CB-CD1 4.31Å; N786-F805 HydrophobicContact CB-CD2 4.21Å; N786-F805 HydrophobicContact CB-CE1 4.42Å; N786-F805 HydrophobicContact CB-CE2 4.3Å; N786-F805 HydrophobicContact CB-CG 4.2Å; N786-F805 HydrophobicContact CB-CZ 4.41Å; Q802-F805 PolarHBondContact O-N 3.3Å; Q802-F805 VanDerWaalsContact O-N 3.1Å; F805-E812 CarbonylContact C-O 3.42Å; F805-E812 WeakPolarHBondContact CA-O 3.23Å; F805-D813 HydrophobicContact CD1-CB 4.23Å; F805-D813 HydrophobicContact CE1-CB 4.06Å; F805-V832 HydrophobicContact CD2-CG1 4.21Å; F805-V832 HydrophobicContact CE1-CG1 4.46Å; F805-V832 HydrophobicContact CE1-CG2 4.36Å; F805-V832 HydrophobicContact CE2-CG1 3.39Å; F805-V832 HydrophobicContact CE2-CG2 4.39Å; F805-V832 HydrophobicContact CZ-CB 4.3Å; F805-V832 HydrophobicContact CZ-CG1 3.54Å; F805-V832 HydrophobicContact CZ-CG2 3.69Å |
| 806 | S | 71.8 | Confident | 70.9 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | -169 | 179.2 | 66.7 | 0 | 0 | 0 | 0 | 111 | C810 E811 E812 | S806-C810 CarbonylContact O-C 3.54Å; S806-C810 VanDerWaalsContact O-C 3.24Å; S806-C810 VanDerWaalsContact O-CA 3.25Å; S806-C810 WeakPolarHBondContact O-CA 3.46Å; S806-E811 PolarHBondContact O-N 3.07Å; S806-E812 PolarHBondContact N-O 2.93Å; S806-E812 PolarHBondContact O-N 3.4Å |
| 807 | G | 67.3 | Low | 71.6 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 92 | 173.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E811 | G807-E811 VanDerWaalsContact C-OE2 3.22Å; G807-E811 WeakPolarHBondContact CA-OE2 3.41Å |
| 808 | L | 68.9 | Low | 72.1 | Confident | 152 Ų | 152 | 66.4 Ų | 66.4 | 80% | 0.796 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -79.1 | -23.9 | -173.9 | -84.7 | 161.1 | 0 | 0 | 0 | 113.5 | E811 | L808-E811 PolarHBondContact N-OE2 2.92Š|
| 809 | L | 73.7 | Confident | 72.2 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -117.1 | 12 | 176.6 | -58.4 | 178.7 | 0 | 0 | 0 | 112 | Q785 F797 E811 | Q785-L809 PolarHBondContact N-O 2.83Å; F797-L809 HydrophobicContact CE2-CD2 3.61Å; F797-L809 HydrophobicContact CZ-CD2 3.97Å; L809-E811 VanDerWaalsContact C-N 3.34Å; L809-E811 WeakPolarHBondContact CA-OE2 3.04Å; L809-E811 PolarHBondContact N-OE2 2.81Å |
| 810 | C | 72.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 64.9 | 33.5 | -171.4 | -46.6 | 0 | 0 | 0 | 0 | 113.6 | N786 C801 S806 | N786-C810 WeakPolarHBondContact CB-O 3.44Å; N786-C810 PolarHBondContact ND2-O 3.5Å; C801-C810 WeakPolarHBondContact CA-SG 3.49Å; C801-C810 HydrophobicContact CB-CB 3.75Å; C801-C810 WeakPolarHBondContact CB-SG 3.42Å; C801-C810 WeakPolarHBondContact SG-CA 3.48Å; C801-C810 WeakPolarHBondContact SG-CB 3Å; C801-C810 CovalentContact SG-SG 2.04Å; C801-C810 PolarHBondContact SG-SG 2.92Å; S806-C810 CarbonylContact O-C 3.54Å; S806-C810 VanDerWaalsContact O-C 3.24Å; S806-C810 VanDerWaalsContact O-CA 3.25Å; S806-C810 WeakPolarHBondContact O-CA 3.46Å |
| 811 | E | 71.8 | Confident | 71.9 | Confident | 81 Ų | 81 | 69.7 Ų | 69.7 | 38% | 0.379 | 39% | 0.389 | S | S | . | . | trans | -88.7 | -14.2 | -173.7 | 72.8 | -83.9 | -139.9 | 0 | 0 | 115 | S806 G807 L808 L809 | S806-E811 PolarHBondContact O-N 3.07Å; G807-E811 VanDerWaalsContact C-OE2 3.22Å; G807-E811 WeakPolarHBondContact CA-OE2 3.41Å; L808-E811 PolarHBondContact N-OE2 2.92Å; L809-E811 VanDerWaalsContact C-N 3.34Å; L809-E811 WeakPolarHBondContact CA-OE2 3.04Å; L809-E811 PolarHBondContact N-OE2 2.81Å | ||
| 812 | E | 68.7 | Low | 72.2 | Confident | 114 Ų | 114 | 68.4 Ų | 68.4 | 53% | 0.533 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.7 | -175.7 | -55 | -172.2 | 143.4 | 0 | 0 | 111.1 | F805 S806 | F805-E812 CarbonylContact C-O 3.42Å; F805-E812 WeakPolarHBondContact CA-O 3.23Å; S806-E812 PolarHBondContact N-O 2.93Å; S806-E812 PolarHBondContact O-N 3.4Å |
| 813 | D | 66.4 | Low | 72.7 | Confident | 73 Ų | 73 | 65.3 Ų | 65.3 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 139.7 | 172.3 | -154.8 | 2.1 | 0 | 0 | 0 | 109.9 | F805 N815 | F805-D813 HydrophobicContact CD1-CB 4.23Å; F805-D813 HydrophobicContact CE1-CB 4.06Å; D813-N815 PolarHBondContact O-N 2.89Å |
| 814 | I | 70.1 | Confident | 73.3 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 36% | 0.359 | 35% | 0.353 | S | S | . | . | trans | -84.1 | 112.4 | -177.6 | -64.7 | 173.5 | 0 | 0 | 0 | 109 | G804 E816 | G804-I814 WeakPolarHBondContact O-CB 3.45Å; G804-I814 WeakPolarHBondContact O-CG1 3.35Å; G804-I814 PolarHBondContact O-N 3.49Å; I814-E816 PolarHBondContact O-N 3.45Å | ||
| 815 | N | 70.5 | Confident | 73.7 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | trans | -77.8 | 93.4 | -179.1 | -169.4 | -83.2 | 0 | 0 | 0 | 112 | D813 C817 A818 D830 | D813-N815 PolarHBondContact O-N 2.89Å; N815-C817 PolarHBondContact O-N 2.99Å; N815-C817 PolarHBondContact OD1-N 3.17Å; N815-A818 WeakPolarHBondContact O-CB 3.37Å; N815-A818 PolarHBondContact O-N 2.8Å; N815-A818 PolarHBondContact OD1-N 3.32Å; N815-D830 VanDerWaalsContact CA-OD1 3.25Å; N815-D830 WeakPolarHBondContact CA-OD1 3.47Å; N815-D830 VanDerWaalsContact CA-OD2 3.31Å; N815-D830 WeakPolarHBondContact CA-OD2 3.01Å; N815-D830 WeakPolarHBondContact CB-OD2 3.14Å; N815-D830 VanDerWaalsContact CG-OD2 3.27Å; N815-D830 PolarHBondContact ND2-OD1 3.49Å; N815-D830 PolarHBondContact ND2-OD2 2.75Å | ||
| 816 | E | 79.1 | Confident | 74.1 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 19% | 0.192 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -66.5 | -25.5 | 177.3 | -74.6 | 101.2 | -156.9 | 0 | 0 | 112.7 | I814 A818 S819 D830 L831 N833 K834 F835 | I814-E816 PolarHBondContact O-N 3.45Å; E816-A818 VanDerWaalsContact C-N 3.26Å; E816-A818 PolarHBondContact O-N 2.04Å; E816-S819 PolarHBondContact O-OG 3.39Å; E816-D830 PolarHBondContact N-OD1 3.33Å; E816-L831 VanDerWaalsContact OE2-O 3.05Å; E816-N833 WeakPolarHBondContact OE1-CA 3.37Å; E816-K834 PolarHBondContact OE2-N 3.4Å; E816-F835 HydrophobicContact CB-CB 4.17Å; E816-F835 HydrophobicContact CB-CD1 4.2Å |
| 817 | C | 76.1 | Confident | 74.7 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 11% | 0.108 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -67.4 | -17.4 | 176.8 | -78.5 | 0 | 0 | 0 | 0 | 115.2 | N815 S819 N820 C828 Q829 D830 | N815-C817 PolarHBondContact O-N 2.99Å; N815-C817 PolarHBondContact OD1-N 3.17Å; C817-S819 PolarHBondContact O-N 3.33Å; C817-N820 PolarHBondContact O-N 3.25Å; C817-C828 WeakPolarHBondContact CA-SG 2.97Å; C817-C828 HydrophobicContact CB-CB 3.74Å; C817-C828 WeakPolarHBondContact CB-SG 3.39Å; C817-C828 WeakPolarHBondContact SG-CB 3Å; C817-C828 CovalentContact SG-SG 2.04Å; C817-C828 PolarHBondContact SG-SG 3.45Å; C817-Q829 PolarHBondContact SG-O 3.04Å; C817-D830 HydrophobicContact CB-CB 4.48Å; C817-D830 PolarHBondContact N-OD1 2.8Å; C817-D830 PolarHBondContact SG-N 3.18Å |
| 818 | A | 76.9 | Confident | 75.4 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 62% | 0.62 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -60.2 | -17.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N815 E816 N820 | N815-A818 WeakPolarHBondContact O-CB 3.37Å; N815-A818 PolarHBondContact O-N 2.8Å; N815-A818 PolarHBondContact OD1-N 3.32Å; E816-A818 VanDerWaalsContact C-N 3.26Å; E816-A818 PolarHBondContact O-N 2.04Å; A818-N820 VanDerWaalsContact C-N 3.33Å |
| 819 | S | 75.5 | Confident | 76 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -78.7 | -8.9 | 176.4 | 61.9 | 0 | 0 | 0 | 0 | 114.8 | E816 C817 P821 | E816-S819 PolarHBondContact O-OG 3.39Å; C817-S819 PolarHBondContact O-N 3.33Å; S819-P821 WeakPolarHBondContact OG-CD 3.36Å |
| 820 | N | 71.9 | Confident | 76 | Confident | 140 Ų | 140 | 65 Ų | 65 | 75% | 0.749 | 38% | 0.379 | S | S | * | . | trans | 52.8 | 58.3 | -170.1 | -55.2 | -82.1 | 0 | 0 | 0 | 113.6 | C817 A818 C822 | C817-N820 PolarHBondContact O-N 3.25Å; A818-N820 VanDerWaalsContact C-N 3.33Å; N820-C822 VanDerWaalsContact C-N 3.34Å; N820-C822 PolarHBondContact O-N 2.83Å | ||
| 821 | P | 80 | Confident | 75.9 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | trans | -76 | -17.1 | -173.3 | 31.7 | -35.4 | 0 | 0 | 0 | 114.3 | S819 F835 L847 | S819-P821 WeakPolarHBondContact OG-CD 3.36Å; P821-F835 HydrophobicContact CB-CD2 4.15Å; P821-F835 HydrophobicContact CB-CE1 4.3Å; P821-F835 HydrophobicContact CB-CE2 3.62Å; P821-F835 HydrophobicContact CB-CZ 3.7Å; P821-F835 HydrophobicContact CG-CD1 4.32Å; P821-F835 HydrophobicContact CG-CD2 3.53Å; P821-F835 HydrophobicContact CG-CE1 4.33Å; P821-F835 HydrophobicContact CG-CE2 3.54Å; P821-F835 HydrophobicContact CG-CG 3.94Å; P821-F835 HydrophobicContact CG-CZ 3.96Å; P821-L847 HydrophobicContact CB-CD2 4.48Å | ||
| 822 | C | 82.3 | Confident | 75.7 | Confident | 23 Ų | 23 | 67.8 Ų | 67.8 | 16% | 0.155 | 40% | 0.398 | C | S | . | . | trans | -85.6 | 130.4 | -175.1 | -48.9 | 0 | 0 | 0 | 0 | 112.6 | N820 G826 C828 C837 | N820-C822 VanDerWaalsContact C-N 3.34Å; N820-C822 PolarHBondContact O-N 2.83Å; C822-G826 WeakPolarHBondContact CB-O 3.3Å; C822-C828 VanDerWaalsContact SG-CA 3.52Å; C822-C828 WeakPolarHBondContact SG-CB 3.41Å; C822-C837 WeakPolarHBondContact CA-SG 3.42Å; C822-C837 HydrophobicContact CB-CB 3.79Å; C822-C837 WeakPolarHBondContact CB-SG 3.5Å; C822-C837 WeakPolarHBondContact SG-CA 3.28Å; C822-C837 WeakPolarHBondContact SG-CB 3.32Å; C822-C837 CovalentContact SG-SG 2.03Å; C822-C837 PolarHBondContact SG-SG 2.89Å | ||
| 823 | S | 81.7 | Confident | 75.6 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | trans | -87.3 | 172.9 | 176.2 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | A825 G826 L847 | S823-A825 PolarHBondContact O-N 2.82Å; S823-G826 PolarHBondContact O-N 2.92Å; S823-L847 WeakPolarHBondContact CB-O 3.17Å; S823-L847 PolarHBondContact N-O 2.9Å | ||
| 824 | N | 75.9 | Confident | 75.7 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 40% | 0.401 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 33.3 | 173.4 | -61.5 | -43.4 | 0 | 0 | 0 | 115.6 | G826 P840 Y843 C848 | N824-G826 VanDerWaalsContact C-N 3.27Å; N824-G826 PolarHBondContact O-N 2.97Å; N824-P840 WeakPolarHBondContact O-CG 3.3Å; N824-Y843 HydrophobicContact CB-CD1 3.99Å; N824-Y843 HydrophobicContact CB-CD2 4.05Å; N824-Y843 HydrophobicContact CB-CE1 4.03Å; N824-Y843 HydrophobicContact CB-CE2 4.1Å; N824-Y843 HydrophobicContact CB-CG 3.98Å; N824-Y843 VanDerWaalsContact ND2-CD1 3.31Å; N824-Y843 WeakPolarHBondContact ND2-CD1 3.14Å; N824-Y843 WeakPolarHBondContact ND2-CE1 3.3Å; N824-C848 PolarHBondContact ND2-O 2.64Å |
| 825 | A | 76.2 | Confident | 76.1 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 75% | 0.752 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 24.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S823 | S823-A825 PolarHBondContact O-N 2.82Š|
| 826 | G | 79.2 | Confident | 76.6 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 13% | 0.134 | 40% | 0.403 | C | S | . | . | trans | -60.7 | 144.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.9 | C822 S823 N824 V838 | C822-G826 WeakPolarHBondContact CB-O 3.3Å; S823-G826 PolarHBondContact O-N 2.92Å; N824-G826 VanDerWaalsContact C-N 3.27Å; N824-G826 PolarHBondContact O-N 2.97Å; G826-V838 CarbonylContact C-O 3.41Å; G826-V838 WeakPolarHBondContact CA-O 3.2Å | ||
| 827 | I | 83.6 | Confident | 76.8 | Confident | 118 Ų | 118 | 68.7 Ų | 68.7 | 61% | 0.605 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 112.8 | -176.9 | -58.3 | 174.1 | 0 | 0 | 0 | 108.5 | Q829 V838 | I827-Q829 PolarHBondContact O-N 2.79Å; I827-V838 HydrophobicContact CB-CB 4.41Å; I827-V838 PolarHBondContact N-O 3.06Å; I827-V838 PolarHBondContact O-N 3.03Å |
| 828 | C | 82.4 | Confident | 77 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 24% | 0.243 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 125.4 | 175.3 | -162.6 | 0 | 0 | 0 | 0 | 110.9 | C817 C822 | C817-C828 WeakPolarHBondContact CA-SG 2.97Å; C817-C828 HydrophobicContact CB-CB 3.74Å; C817-C828 WeakPolarHBondContact CB-SG 3.39Å; C817-C828 WeakPolarHBondContact SG-CB 3Å; C817-C828 CovalentContact SG-SG 2.04Å; C817-C828 PolarHBondContact SG-SG 3.45Å; C822-C828 VanDerWaalsContact SG-CA 3.52Å; C822-C828 WeakPolarHBondContact SG-CB 3.41Å |
| 829 | Q | 82.2 | Confident | 77.2 | Confident | 93 Ų | 93 | 68.8 Ų | 68.8 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.3 | 169.5 | -67 | -177.7 | -24.2 | 0 | 0 | 109.7 | C817 I827 F835 H836 V838 | C817-Q829 PolarHBondContact SG-O 3.04Å; I827-Q829 PolarHBondContact O-N 2.79Å; Q829-F835 WeakPolarHBondContact O-CA 3.15Å; Q829-H836 HydrophobicContact CB-CB 4.46Å; Q829-H836 WeakPolarHBondContact CB-O 3.43Å; Q829-H836 PolarHBondContact N-O 3.44Å; Q829-H836 PolarHBondContact O-N 2.8Å; Q829-H836 PolarHBondContact OE1-ND1 3.36Å; Q829-V838 HydrophobicContact CG-CG2 3.91Å |
| 830 | D | 73.1 | Confident | 77.1 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 130.2 | -179.4 | -152.1 | 49.1 | 0 | 0 | 0 | 109.2 | N815 E816 C817 | N815-D830 VanDerWaalsContact CA-OD1 3.25Å; N815-D830 WeakPolarHBondContact CA-OD1 3.47Å; N815-D830 VanDerWaalsContact CA-OD2 3.31Å; N815-D830 WeakPolarHBondContact CA-OD2 3.01Å; N815-D830 WeakPolarHBondContact CB-OD2 3.14Å; N815-D830 VanDerWaalsContact CG-OD2 3.27Å; N815-D830 PolarHBondContact ND2-OD1 3.49Å; N815-D830 PolarHBondContact ND2-OD2 2.75Å; E816-D830 PolarHBondContact N-OD1 3.33Å; C817-D830 HydrophobicContact CB-CB 4.48Å; C817-D830 PolarHBondContact N-OD1 2.8Å; C817-D830 PolarHBondContact SG-N 3.18Å |
| 831 | L | 71.4 | Confident | 77.3 | Confident | 72 Ų | 72 | 66 Ų | 66 | 38% | 0.377 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.1 | 174.2 | -45.4 | 162.8 | 0 | 0 | 0 | 107.9 | E816 N833 K834 H836 | E816-L831 VanDerWaalsContact OE2-O 3.05Å; L831-N833 PolarHBondContact O-N 3.27Å; L831-K834 CarbonylContact C-O 3.55Å; L831-K834 WeakPolarHBondContact CA-O 3.23Å; L831-K834 HydrophobicContact CB-CG 4.02Å; L831-K834 WeakPolarHBondContact CB-O 3.44Å; L831-K834 HydrophobicContact CD1-CG 4.28Å; L831-K834 PolarHBondContact N-O 3.48Å; L831-K834 VanDerWaalsContact N-O 3.12Å; L831-K834 CarbonylContact O-C 3.58Å; L831-K834 PolarHBondContact O-N 3.23Å; L831-H836 HydrophobicContact CD1-CB 3.91Å |
| 832 | V | 67.6 | Low | 76.9 | Confident | 68 Ų | 68 | 65 Ų | 65 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 114.5 | -178 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | F805 K834 | F805-V832 HydrophobicContact CD2-CG1 4.21Å; F805-V832 HydrophobicContact CE1-CG1 4.46Å; F805-V832 HydrophobicContact CE1-CG2 4.36Å; F805-V832 HydrophobicContact CE2-CG1 3.39Å; F805-V832 HydrophobicContact CE2-CG2 4.39Å; F805-V832 HydrophobicContact CZ-CB 4.3Å; F805-V832 HydrophobicContact CZ-CG1 3.54Å; F805-V832 HydrophobicContact CZ-CG2 3.69Å; V832-K834 VanDerWaalsContact C-N 3.26Å; V832-K834 PolarHBondContact O-N 3.25Å |
| 833 | N | 65.6 | Low | 76.9 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 20.9 | 177.8 | -163.3 | 58.3 | 0 | 0 | 0 | 114.9 | G804 E816 L831 | G804-N833 PolarHBondContact N-OD1 3.47Å; E816-N833 WeakPolarHBondContact OE1-CA 3.37Å; L831-N833 PolarHBondContact O-N 3.27Å |
| 834 | K | 69.1 | Low | 76.7 | Confident | 133 Ų | 133 | 68.9 Ų | 68.9 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 139.7 | 175.7 | 65.1 | -172.2 | -176.5 | 174.6 | 0 | 112.2 | E816 L831 V832 | E816-K834 PolarHBondContact OE2-N 3.4Å; L831-K834 CarbonylContact C-O 3.55Å; L831-K834 WeakPolarHBondContact CA-O 3.23Å; L831-K834 HydrophobicContact CB-CG 4.02Å; L831-K834 WeakPolarHBondContact CB-O 3.44Å; L831-K834 HydrophobicContact CD1-CG 4.28Å; L831-K834 PolarHBondContact N-O 3.48Å; L831-K834 VanDerWaalsContact N-O 3.12Å; L831-K834 CarbonylContact O-C 3.58Å; L831-K834 PolarHBondContact O-N 3.23Å; V832-K834 VanDerWaalsContact C-N 3.26Å; V832-K834 PolarHBondContact O-N 3.25Å |
| 835 | F | 77.4 | Confident | 76.6 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 33% | 0.329 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 158.2 | 169.7 | 67.1 | -84.3 | 0 | 0 | 0 | 112.4 | E816 P821 Q829 L847 | E816-F835 HydrophobicContact CB-CB 4.17Å; E816-F835 HydrophobicContact CB-CD1 4.2Å; P821-F835 HydrophobicContact CB-CD2 4.15Å; P821-F835 HydrophobicContact CB-CE1 4.3Å; P821-F835 HydrophobicContact CB-CE2 3.62Å; P821-F835 HydrophobicContact CB-CZ 3.7Å; P821-F835 HydrophobicContact CG-CD1 4.32Å; P821-F835 HydrophobicContact CG-CD2 3.53Å; P821-F835 HydrophobicContact CG-CE1 4.33Å; P821-F835 HydrophobicContact CG-CE2 3.54Å; P821-F835 HydrophobicContact CG-CG 3.94Å; P821-F835 HydrophobicContact CG-CZ 3.96Å; Q829-F835 WeakPolarHBondContact O-CA 3.15Å; F835-L847 HydrophobicContact CE2-CD2 3.68Å; F835-L847 HydrophobicContact CZ-CD2 3.73Å |
| 836 | H | 80.9 | Confident | 76.7 | Confident | 96 Ų | 96 | 68.4 Ų | 68.4 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 117.1 | 173.4 | 174.9 | -106.7 | 0 | 0 | 0 | 110.2 | Q829 L831 V838 | Q829-H836 HydrophobicContact CB-CB 4.46Å; Q829-H836 WeakPolarHBondContact CB-O 3.43Å; Q829-H836 PolarHBondContact N-O 3.44Å; Q829-H836 PolarHBondContact O-N 2.8Å; Q829-H836 PolarHBondContact OE1-ND1 3.36Å; L831-H836 HydrophobicContact CD1-CB 3.91Å; H836-V838 PolarHBondContact O-N 3.04Å |
| 837 | C | 83.3 | Confident | 76.8 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.9 | 175.2 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | C822 C839 C848 | C822-C837 WeakPolarHBondContact CA-SG 3.42Å; C822-C837 HydrophobicContact CB-CB 3.79Å; C822-C837 WeakPolarHBondContact CB-SG 3.5Å; C822-C837 WeakPolarHBondContact SG-CA 3.28Å; C822-C837 WeakPolarHBondContact SG-CB 3.32Å; C822-C837 CovalentContact SG-SG 2.03Å; C822-C837 PolarHBondContact SG-SG 2.89Å; C837-C839 PolarHBondContact O-N 3.4Å; C837-C848 WeakPolarHBondContact CB-SG 2.92Å |
| 838 | V | 80.3 | Confident | 76.6 | Confident | 54 Ų | 54 | 65 Ų | 65 | 33% | 0.327 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 106.6 | 169 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | G826 I827 Q829 H836 | G826-V838 CarbonylContact C-O 3.41Å; G826-V838 WeakPolarHBondContact CA-O 3.2Å; I827-V838 HydrophobicContact CB-CB 4.41Å; I827-V838 PolarHBondContact N-O 3.06Å; I827-V838 PolarHBondContact O-N 3.03Å; Q829-V838 HydrophobicContact CG-CG2 3.91Å; H836-V838 PolarHBondContact O-N 3.04Å |
| 839 | C | 81.3 | Confident | 76.5 | Confident | 39 Ų | 39 | 67 Ų | 67 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 143.3 | -176.6 | -52 | 0 | 0 | 0 | 0 | 112.2 | C837 Y843 C848 | C837-C839 PolarHBondContact O-N 3.4Å; C839-Y843 WeakPolarHBondContact CB-O 3.28Å; C839-C848 WeakPolarHBondContact CA-SG 3.47Å; C839-C848 HydrophobicContact CB-CB 3.67Å; C839-C848 WeakPolarHBondContact CB-SG 2.93Å; C839-C848 PolarHBondContact N-SG 2.78Å; C839-C848 VanDerWaalsContact N-SG 3.4Å; C839-C848 WeakPolarHBondContact SG-CA 3.42Å; C839-C848 WeakPolarHBondContact SG-CB 3.1Å; C839-C848 CovalentContact SG-SG 2.04Å; C839-C848 PolarHBondContact SG-SG 2.94Å |
| 840 | P | 73.7 | Confident | 76.2 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 31% | 0.312 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 154.1 | 167.5 | -12.1 | 29.8 | 0 | 0 | 0 | 109.6 | N824 G842 Y843 | N824-P840 WeakPolarHBondContact O-CG 3.3Å; P840-G842 PolarHBondContact O-N 2.86Å; P840-Y843 PolarHBondContact O-N 2.8Å; P840-Y843 VanDerWaalsContact O-N 3.09Å |
| 841 | S | 77.1 | Confident | 76.3 | Confident | 122 Ų | 122 | 66.4 Ų | 66.4 | 85% | 0.853 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 132.1 | 172.6 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 842 | G | 70.3 | Confident | 76.7 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -9.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P840 V852 E854 | P840-G842 PolarHBondContact O-N 2.86Å; G842-V852 PolarHBondContact O-N 3.38Å; G842-E854 WeakPolarHBondContact CA-OE1 3.02Å |
| 843 | Y | 82.1 | Confident | 77.1 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 19% | 0.192 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.1 | 177 | -62.9 | -83.3 | 0 | 0 | 0 | 112.4 | N824 C839 P840 L850 P870 G871 | N824-Y843 HydrophobicContact CB-CD1 3.99Å; N824-Y843 HydrophobicContact CB-CD2 4.05Å; N824-Y843 HydrophobicContact CB-CE1 4.03Å; N824-Y843 HydrophobicContact CB-CE2 4.1Å; N824-Y843 HydrophobicContact CB-CG 3.98Å; N824-Y843 VanDerWaalsContact ND2-CD1 3.31Å; N824-Y843 WeakPolarHBondContact ND2-CD1 3.14Å; N824-Y843 WeakPolarHBondContact ND2-CE1 3.3Å; C839-Y843 WeakPolarHBondContact CB-O 3.28Å; P840-Y843 PolarHBondContact O-N 2.8Å; P840-Y843 VanDerWaalsContact O-N 3.09Å; Y843-L850 CarbonylContact C-O 3.52Å; Y843-L850 VanDerWaalsContact CA-O 3.31Å; Y843-L850 WeakPolarHBondContact CA-O 3.49Å; Y843-P870 PolarHBondContact OH-O 2.03Å; Y843-G871 WeakPolarHBondContact OH-CA 3.02Å; Y843-G871 PolarHBondContact OH-N 3.32Å |
| 844 | F | 78.9 | Confident | 77.8 | Confident | 106 Ų | 106 | 63 Ų | 63 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | -175.3 | 178.2 | 81.3 | -70.7 | 0 | 0 | 0 | 111.8 | C848 L850 D851 V852 | F844-C848 CarbonylContact O-C 3.52Å; F844-C848 WeakPolarHBondContact O-CA 3.03Å; F844-L850 HydrophobicContact CD1-CB 3.74Å; F844-L850 HydrophobicContact CE1-CB 3.55Å; F844-L850 HydrophobicContact CE2-CB 4.45Å; F844-L850 HydrophobicContact CE2-CD1 4.08Å; F844-L850 HydrophobicContact CG-CB 4.28Å; F844-L850 HydrophobicContact CZ-CB 3.94Å; F844-L850 HydrophobicContact CZ-CD1 4.06Å; F844-L850 PolarHBondContact N-O 3.12Å; F844-L850 WeakPolarHBondContact O-CB 3.14Å; F844-L850 PolarHBondContact O-N 3.43Å; F844-L850 VanDerWaalsContact O-N 3.14Å; F844-D851 WeakPolarHBondContact CE1-O 3.22Å; F844-V852 HydrophobicContact CB-CG2 3.94Å; F844-V852 HydrophobicContact CD1-CB 4.44Å; F844-V852 HydrophobicContact CD1-CG2 3.61Å; F844-V852 HydrophobicContact CG-CG2 4.12Å |
| 845 | G | 72.4 | Confident | 78.3 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 89.3 | 163.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L847 C848 | G845-L847 PolarHBondContact O-N 3.46Å; G845-C848 PolarHBondContact O-N 2.01Å |
| 846 | V | 78.4 | Confident | 78.2 | Confident | 128 Ų | 128 | 62 Ų | 62 | 78% | 0.776 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.7 | -170.8 | -66.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 847 | L | 81.6 | Confident | 77.8 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 8.1 | 173.9 | -54.1 | -177.6 | 0 | 0 | 0 | 112.9 | P821 S823 F835 G845 D849 | P821-L847 HydrophobicContact CB-CD2 4.48Å; S823-L847 WeakPolarHBondContact CB-O 3.17Å; S823-L847 PolarHBondContact N-O 2.9Å; F835-L847 HydrophobicContact CE2-CD2 3.68Å; F835-L847 HydrophobicContact CZ-CD2 3.73Å; G845-L847 PolarHBondContact O-N 3.46Å; L847-D849 HydrophobicContact CB-CB 4.4Å; L847-D849 PolarHBondContact O-N 3.05Å |
| 848 | C | 79.4 | Confident | 77 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 57 | 30.3 | -173.7 | -49.3 | 0 | 0 | 0 | 0 | 114.3 | N824 C837 C839 F844 G845 | N824-C848 PolarHBondContact ND2-O 2.64Å; C837-C848 WeakPolarHBondContact CB-SG 2.92Å; C839-C848 WeakPolarHBondContact CA-SG 3.47Å; C839-C848 HydrophobicContact CB-CB 3.67Å; C839-C848 WeakPolarHBondContact CB-SG 2.93Å; C839-C848 PolarHBondContact N-SG 2.78Å; C839-C848 VanDerWaalsContact N-SG 3.4Å; C839-C848 WeakPolarHBondContact SG-CA 3.42Å; C839-C848 WeakPolarHBondContact SG-CB 3.1Å; C839-C848 CovalentContact SG-SG 2.04Å; C839-C848 PolarHBondContact SG-SG 2.94Å; F844-C848 CarbonylContact O-C 3.52Å; F844-C848 WeakPolarHBondContact O-CA 3.03Å; G845-C848 PolarHBondContact O-N 2.01Å |
| 849 | D | 80.1 | Confident | 76.9 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 43% | 0.428 | 38% | 0.376 | S | S | . | . | trans | -94.1 | -14.2 | -177.1 | 58.4 | -42 | 0 | 0 | 0 | 113.4 | L847 | L847-D849 HydrophobicContact CB-CB 4.4Å; L847-D849 PolarHBondContact O-N 3.05Å | ||
| 850 | L | 75.8 | Confident | 76.9 | Confident | 84 Ų | 84 | 63.9 Ų | 63.9 | 44% | 0.44 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.5 | 178.5 | -54.8 | 177 | 0 | 0 | 0 | 111.1 | Y843 F844 | Y843-L850 CarbonylContact C-O 3.52Å; Y843-L850 VanDerWaalsContact CA-O 3.31Å; Y843-L850 WeakPolarHBondContact CA-O 3.49Å; F844-L850 HydrophobicContact CD1-CB 3.74Å; F844-L850 HydrophobicContact CE1-CB 3.55Å; F844-L850 HydrophobicContact CE2-CB 4.45Å; F844-L850 HydrophobicContact CE2-CD1 4.08Å; F844-L850 HydrophobicContact CG-CB 4.28Å; F844-L850 HydrophobicContact CZ-CB 3.94Å; F844-L850 HydrophobicContact CZ-CD1 4.06Å; F844-L850 PolarHBondContact N-O 3.12Å; F844-L850 WeakPolarHBondContact O-CB 3.14Å; F844-L850 PolarHBondContact O-N 3.43Å; F844-L850 VanDerWaalsContact O-N 3.14Å |
| 851 | D | 76.3 | Confident | 77 | Confident | 49 Ų | 49 | 66 Ų | 66 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 128.2 | -179.9 | -175.8 | 52.5 | 0 | 0 | 0 | 111 | F844 N853 N868 P870 G871 | F844-D851 WeakPolarHBondContact CE1-O 3.22Å; D851-N853 PolarHBondContact O-N 2.85Å; D851-N868 PolarHBondContact OD2-ND2 3.03Å; D851-P870 VanDerWaalsContact OD1-CA 3.3Å; D851-P870 WeakPolarHBondContact OD1-CA 3.46Å; D851-G871 PolarHBondContact OD1-N 3.2Å |
| 852 | V | 78.6 | Confident | 76.8 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 29% | 0.291 | 36% | 0.355 | S | S | . | . | trans | -75.1 | 114.9 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | G842 F844 E854 N868 | G842-V852 PolarHBondContact O-N 3.38Å; F844-V852 HydrophobicContact CB-CG2 3.94Å; F844-V852 HydrophobicContact CD1-CB 4.44Å; F844-V852 HydrophobicContact CD1-CG2 3.61Å; F844-V852 HydrophobicContact CG-CG2 4.12Å; V852-E854 VanDerWaalsContact C-N 3.35Å; V852-E854 HydrophobicContact CG1-CG 4.05Å; V852-E854 VanDerWaalsContact O-CD 3.29Å; V852-E854 PolarHBondContact O-N 3.31Å; V852-N868 PolarHBondContact O-OD1 3.37Å | ||
| 853 | N | 75.8 | Confident | 76.9 | Confident | 70 Ų | 70 | 70.5 Ų | 70.5 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | trans | -75.1 | 84.3 | 174.2 | -178.2 | 12.7 | 0 | 0 | 0 | 110.9 | D851 C855 E856 N868 | D851-N853 PolarHBondContact O-N 2.85Å; N853-C855 PolarHBondContact O-N 3.33Å; N853-C855 VanDerWaalsContact O-N 3.07Å; N853-C855 WeakPolarHBondContact OD1-CB 3.13Å; N853-C855 PolarHBondContact OD1-N 3.04Å; N853-E856 HydrophobicContact CB-CG 4.37Å; N853-E856 VanDerWaalsContact ND2-CG 3.33Å; N853-E856 WeakPolarHBondContact ND2-CG 3.41Å; N853-E856 PolarHBondContact O-N 2.84Å; N853-N868 WeakPolarHBondContact CA-OD1 3.31Å; N853-N868 WeakPolarHBondContact OD1-CB 2.99Å | ||
| 854 | E | 81.8 | Confident | 76.6 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 18% | 0.178 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -67.3 | -10.6 | -178.6 | -60.1 | 98.5 | 176.1 | 0 | 0 | 113.3 | G842 V852 E856 V857 P859 N868 G872 F873 | G842-E854 WeakPolarHBondContact CA-OE1 3.02Å; V852-E854 VanDerWaalsContact C-N 3.35Å; V852-E854 HydrophobicContact CG1-CG 4.05Å; V852-E854 VanDerWaalsContact O-CD 3.29Å; V852-E854 PolarHBondContact O-N 3.31Å; E854-E856 VanDerWaalsContact C-N 3.32Å; E854-E856 PolarHBondContact O-N 3.2Å; E854-V857 VanDerWaalsContact O-CG2 3.26Å; E854-V857 WeakPolarHBondContact O-CG2 3.44Å; E854-P859 WeakPolarHBondContact O-CD 3.36Å; E854-P859 VanDerWaalsContact O-CG 3.26Å; E854-P859 WeakPolarHBondContact O-CG 3.18Å; E854-N868 PolarHBondContact N-OD1 3.1Å; E854-G872 WeakPolarHBondContact OE2-CA 3.13Å; E854-F873 HydrophobicContact CB-CB 4.2Å; E854-F873 HydrophobicContact CB-CD1 3.59Å; E854-F873 HydrophobicContact CB-CE1 4.43Å; E854-F873 HydrophobicContact CB-CG 4.11Å; E854-F873 HydrophobicContact CG-CD1 4.01Å; E854-F873 PolarHBondContact OE2-N 3.05Å; E854-F873 VanDerWaalsContact OE2-N 3.1Å |
| 855 | C | 78.2 | Confident | 76.7 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -73.1 | -16.3 | 178.5 | -65.8 | 0 | 0 | 0 | 0 | 114.7 | N853 V857 S858 C866 N868 | N853-C855 PolarHBondContact O-N 3.33Å; N853-C855 VanDerWaalsContact O-N 3.07Å; N853-C855 WeakPolarHBondContact OD1-CB 3.13Å; N853-C855 PolarHBondContact OD1-N 3.04Å; C855-V857 PolarHBondContact O-N 3.24Å; C855-S858 PolarHBondContact O-N 3.3Å; C855-S858 VanDerWaalsContact O-N 3.14Å; C855-C866 WeakPolarHBondContact CA-SG 3.37Å; C855-C866 HydrophobicContact CB-CB 3.76Å; C855-C866 WeakPolarHBondContact CB-SG 3.05Å; C855-C866 WeakPolarHBondContact SG-CB 3.33Å; C855-C866 CovalentContact SG-SG 2.04Å; C855-C866 PolarHBondContact SG-SG 3.5Å; C855-N868 PolarHBondContact SG-N 3.25Å |
| 856 | E | 76.3 | Confident | 77.1 | Confident | 160 Ų | 160 | 69.1 Ų | 69.1 | 75% | 0.748 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -64.5 | -28.3 | 177.6 | -60.7 | -152.1 | 149.2 | 0 | 0 | 112.7 | N853 E854 S858 | N853-E856 HydrophobicContact CB-CG 4.37Å; N853-E856 VanDerWaalsContact ND2-CG 3.33Å; N853-E856 WeakPolarHBondContact ND2-CG 3.41Å; N853-E856 PolarHBondContact O-N 2.84Å; E854-E856 VanDerWaalsContact C-N 3.32Å; E854-E856 PolarHBondContact O-N 3.2Å; E856-S858 VanDerWaalsContact C-N 3.34Å |
| 857 | V | 71.4 | Confident | 77.2 | Confident | 120 Ų | 120 | 66.7 Ų | 66.7 | 73% | 0.727 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -93.5 | 16.4 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | E854 C855 | E854-V857 VanDerWaalsContact O-CG2 3.26Å; E854-V857 WeakPolarHBondContact O-CG2 3.44Å; C855-V857 PolarHBondContact O-N 3.24Å |
| 858 | S | 68.4 | Low | 77 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 67% | 0.671 | 36% | 0.359 | S | S | * | . | trans | 45.4 | 62.6 | 179.5 | -65.1 | 0 | 0 | 0 | 0 | 114.4 | C855 E856 C860 | C855-S858 PolarHBondContact O-N 3.3Å; C855-S858 VanDerWaalsContact O-N 3.14Å; E856-S858 VanDerWaalsContact C-N 3.34Å; S858-C860 PolarHBondContact O-N 3.14Å; S858-C860 VanDerWaalsContact O-N 3.12Å | ||
| 859 | P | 77.1 | Confident | 76.9 | Confident | 8 Ų | 8 | 69 Ų | 69 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | trans | -74.5 | -4.7 | -167.7 | 32.5 | -38.3 | 0 | 0 | 0 | 114.6 | E854 C866 F873 R885 | E854-P859 WeakPolarHBondContact O-CD 3.36Å; E854-P859 VanDerWaalsContact O-CG 3.26Å; E854-P859 WeakPolarHBondContact O-CG 3.18Å; P859-C866 HydrophobicContact CG-CB 4.39Å; P859-C866 WeakPolarHBondContact CG-SG 3.46Å; P859-F873 HydrophobicContact CB-CD1 4.47Å; P859-F873 HydrophobicContact CB-CD2 4.06Å; P859-F873 HydrophobicContact CB-CE1 4.29Å; P859-F873 HydrophobicContact CB-CE2 3.86Å; P859-F873 HydrophobicContact CB-CG 4.4Å; P859-F873 HydrophobicContact CB-CZ 4Å; P859-F873 HydrophobicContact CG-CD1 4.31Å; P859-F873 HydrophobicContact CG-CD2 3.58Å; P859-F873 HydrophobicContact CG-CE2 3.9Å; P859-F873 HydrophobicContact CG-CG 3.85Å; P859-F873 HydrophobicContact CG-CZ 4.42Å; P859-R885 WeakPolarHBondContact O-CG 3.24Å; P859-R885 PolarHBondContact O-NH1 2.03Å | ||
| 860 | C | 81.6 | Confident | 76.6 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | trans | -96.7 | 124.3 | 180 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | S858 G864 C866 C875 | S858-C860 PolarHBondContact O-N 3.14Å; S858-C860 VanDerWaalsContact O-N 3.12Å; C860-G864 VanDerWaalsContact CB-O 3.31Å; C860-G864 WeakPolarHBondContact CB-O 3.21Å; C860-C866 WeakPolarHBondContact SG-CA 3.47Å; C860-C866 WeakPolarHBondContact SG-CB 3.47Å; C860-C875 WeakPolarHBondContact CA-SG 3Å; C860-C875 HydrophobicContact CB-CB 3.84Å; C860-C875 WeakPolarHBondContact CB-SG 3.26Å; C860-C875 VanDerWaalsContact SG-CA 3.5Å; C860-C875 WeakPolarHBondContact SG-CB 3.03Å; C860-C875 CovalentContact SG-SG 2.02Å; C860-C875 PolarHBondContact SG-SG 3.19Å | ||
| 861 | L | 75.2 | Confident | 76.3 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -78.1 | 166.1 | 177.8 | -59.1 | 176.5 | 0 | 0 | 0 | 111.1 | E863 G864 R885 E887 | L861-E863 VanDerWaalsContact C-N 3.3Å; L861-E863 PolarHBondContact O-N 2.86Å; L861-G864 PolarHBondContact O-N 3.39Å; L861-G864 VanDerWaalsContact O-N 3.09Å; L861-R885 PolarHBondContact N-O 3.35Å; L861-E887 HydrophobicContact CD1-CB 3.94Å |
| 862 | H | 73.5 | Confident | 76.3 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 40.3 | 174.5 | -49.4 | 110.6 | 0 | 0 | 0 | 114.4 | G864 Y881 C886 | H862-G864 PolarHBondContact O-N 3.22Å; H862-Y881 HydrophobicContact CB-CD1 4.22Å; H862-Y881 HydrophobicContact CB-CD2 4.14Å; H862-Y881 HydrophobicContact CB-CE1 3.99Å; H862-Y881 HydrophobicContact CB-CE2 3.89Å; H862-Y881 HydrophobicContact CB-CG 4.28Å; H862-Y881 AromaticContact CD2-CE1 3.62Å; H862-Y881 AromaticContact CD2-CZ 3.63Å; H862-Y881 PolarHBondContact CD2-OH 2.94Å; H862-Y881 AromaticContact CE1-CD1 3.91Å; H862-Y881 AromaticContact CE1-CE1 3.43Å; H862-Y881 VanDerWaalsContact CE1-CE1 3.43Å; H862-Y881 WeakPolarHBondContact CE1-CE1 3.06Å; H862-Y881 AromaticContact CG-CD1 3.82Å; H862-Y881 AromaticContact CG-CE1 3.36Å; H862-Y881 AromaticContact CG-CZ 3.5Å; H862-Y881 AromaticContact ND1-CD1 3.42Å; H862-Y881 WeakPolarHBondContact ND1-CD1 3.09Å; H862-Y881 AromaticContact ND1-CE1 3.24Å; H862-Y881 WeakPolarHBondContact ND1-CE1 3.41Å; H862-Y881 AromaticContact ND1-CZ 3.91Å; H862-Y881 AromaticContact NE2-CE1 3.66Å; H862-C886 PolarHBondContact ND1-O 3.14Å |
| 863 | E | 72.5 | Confident | 76.5 | Confident | 135 Ų | 135 | 66.1 Ų | 66.1 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 31.1 | -177.3 | -53.1 | 179.6 | -163.6 | 0 | 0 | 114.3 | L861 R878 | L861-E863 VanDerWaalsContact C-N 3.3Å; L861-E863 PolarHBondContact O-N 2.86Å; E863-R878 VanDerWaalsContact CB-NH2 3.26Å; E863-R878 PolarHBondContact O-NE 2.77Å; E863-R878 PolarHBondContact O-NH2 2.93Å; E863-R878 IonicContact OE2-CZ 2.6Å; E863-R878 IonicContact OE2-NH1 2.56Å; E863-R878 PolarHBondContact OE2-NH1 3.27Å; E863-R878 IonicContact OE2-NH2 3.56Å; E863-R878 PolarHBondContact OE2-NH2 2.96Å |
| 864 | G | 75.8 | Confident | 76.7 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | trans | -65.2 | 144.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C860 L861 H862 C866 | C860-G864 VanDerWaalsContact CB-O 3.31Å; C860-G864 WeakPolarHBondContact CB-O 3.21Å; L861-G864 PolarHBondContact O-N 3.39Å; L861-G864 VanDerWaalsContact O-N 3.09Å; H862-G864 PolarHBondContact O-N 3.22Å; G864-C866 PolarHBondContact O-N 3.09Å | ||
| 865 | I | 80.6 | Confident | 76.8 | Confident | 110 Ų | 110 | 68 Ų | 68 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.8 | -177.4 | -59.8 | 173.4 | 0 | 0 | 0 | 109 | C875 I876 | I865-C875 WeakPolarHBondContact O-CA 3.37Å; I865-I876 HydrophobicContact CB-CB 4.38Å; I865-I876 PolarHBondContact N-O 3.2Å; I865-I876 PolarHBondContact O-N 3.16Å |
| 866 | C | 81.9 | Confident | 76.8 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 22% | 0.223 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133.6 | 174.4 | -166.8 | 0 | 0 | 0 | 0 | 111.5 | C855 P859 C860 G864 | C855-C866 WeakPolarHBondContact CA-SG 3.37Å; C855-C866 HydrophobicContact CB-CB 3.76Å; C855-C866 WeakPolarHBondContact CB-SG 3.05Å; C855-C866 WeakPolarHBondContact SG-CB 3.33Å; C855-C866 CovalentContact SG-SG 2.04Å; C855-C866 PolarHBondContact SG-SG 3.5Å; P859-C866 HydrophobicContact CG-CB 4.39Å; P859-C866 WeakPolarHBondContact CG-SG 3.46Å; C860-C866 WeakPolarHBondContact SG-CA 3.47Å; C860-C866 WeakPolarHBondContact SG-CB 3.47Å; G864-C866 PolarHBondContact O-N 3.09Å |
| 867 | I | 80.2 | Confident | 76.9 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 40% | 0.395 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 118.1 | 169.8 | -59 | -178.9 | 0 | 0 | 0 | 107.8 | K874 I876 | I867-K874 PolarHBondContact N-O 2.77Å; I867-K874 PolarHBondContact O-N 2.91Å; I867-I876 HydrophobicContact CD1-CD1 3.52Å; I867-I876 HydrophobicContact CD1-CG1 4.07Å |
| 868 | N | 76.9 | Confident | 77 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 140.7 | 176.1 | -168.4 | 53.2 | 0 | 0 | 0 | 110.6 | D851 V852 N853 E854 C855 | D851-N868 PolarHBondContact OD2-ND2 3.03Å; V852-N868 PolarHBondContact O-OD1 3.37Å; N853-N868 WeakPolarHBondContact CA-OD1 3.31Å; N853-N868 WeakPolarHBondContact OD1-CB 2.99Å; E854-N868 PolarHBondContact N-OD1 3.1Å; C855-N868 PolarHBondContact SG-N 3.25Å |
| 869 | T | 77.9 | Confident | 76.9 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 156.5 | 177.9 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | G871 G872 | T869-G871 PolarHBondContact O-N 2.92Å; T869-G872 CarbonylContact C-O 3.23Å; T869-G872 VanDerWaalsContact C-O 3.26Å; T869-G872 VanDerWaalsContact CA-O 3.26Å; T869-G872 WeakPolarHBondContact CA-O 3.03Å; T869-G872 WeakPolarHBondContact CB-O 3.48Å; T869-G872 PolarHBondContact N-O 3.46Å; T869-G872 CarbonylContact O-C 3.59Å; T869-G872 PolarHBondContact O-N 3.27Å; T869-G872 PolarHBondContact OG1-O 3.03Å |
| 870 | P | 73.9 | Confident | 76.3 | Confident | 109 Ų | 109 | 64.6 Ų | 64.6 | 71% | 0.708 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 110.4 | -179.3 | -28.1 | 37 | 0 | 0 | 0 | 112.9 | Y843 D851 | Y843-P870 PolarHBondContact OH-O 2.03Å; D851-P870 VanDerWaalsContact OD1-CA 3.3Å; D851-P870 WeakPolarHBondContact OD1-CA 3.46Å |
| 871 | G | 67.9 | Low | 76.1 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 21 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y843 D851 T869 | Y843-G871 WeakPolarHBondContact OH-CA 3.02Å; Y843-G871 PolarHBondContact OH-N 3.32Å; D851-G871 PolarHBondContact OD1-N 3.2Å; T869-G871 PolarHBondContact O-N 2.92Å |
| 872 | G | 77 | Confident | 76.2 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.1 | 177.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E854 T869 | E854-G872 WeakPolarHBondContact OE2-CA 3.13Å; T869-G872 CarbonylContact C-O 3.23Å; T869-G872 VanDerWaalsContact C-O 3.26Å; T869-G872 VanDerWaalsContact CA-O 3.26Å; T869-G872 WeakPolarHBondContact CA-O 3.03Å; T869-G872 WeakPolarHBondContact CB-O 3.48Å; T869-G872 PolarHBondContact N-O 3.46Å; T869-G872 CarbonylContact O-C 3.59Å; T869-G872 PolarHBondContact O-N 3.27Å; T869-G872 PolarHBondContact OG1-O 3.03Å |
| 873 | F | 83.3 | Confident | 76.1 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 20% | 0.202 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 158.9 | -179.7 | 67.6 | -76.4 | 0 | 0 | 0 | 112.4 | E854 P859 C875 R885 | E854-F873 HydrophobicContact CB-CB 4.2Å; E854-F873 HydrophobicContact CB-CD1 3.59Å; E854-F873 HydrophobicContact CB-CE1 4.43Å; E854-F873 HydrophobicContact CB-CG 4.11Å; E854-F873 HydrophobicContact CG-CD1 4.01Å; E854-F873 PolarHBondContact OE2-N 3.05Å; E854-F873 VanDerWaalsContact OE2-N 3.1Å; P859-F873 HydrophobicContact CB-CD1 4.47Å; P859-F873 HydrophobicContact CB-CD2 4.06Å; P859-F873 HydrophobicContact CB-CE1 4.29Å; P859-F873 HydrophobicContact CB-CE2 3.86Å; P859-F873 HydrophobicContact CB-CG 4.4Å; P859-F873 HydrophobicContact CB-CZ 4Å; P859-F873 HydrophobicContact CG-CD1 4.31Å; P859-F873 HydrophobicContact CG-CD2 3.58Å; P859-F873 HydrophobicContact CG-CE2 3.9Å; P859-F873 HydrophobicContact CG-CG 3.85Å; P859-F873 HydrophobicContact CG-CZ 4.42Å; F873-C875 VanDerWaalsContact CE2-SG 3.58Å; F873-R885 HydrophobicContact CE2-CG 3.87Å; F873-R885 HydrophobicContact CZ-CG 3.76Å |
| 874 | K | 78.9 | Confident | 76.3 | Confident | 134 Ų | 134 | 62.6 Ų | 62.6 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.8 | 171.4 | -178.2 | -179.2 | 178.4 | -177.1 | 0 | 110.5 | I867 | I867-K874 PolarHBondContact N-O 2.77Å; I867-K874 PolarHBondContact O-N 2.91Å |
| 875 | C | 83.5 | Confident | 76.5 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 8% | 0.081 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.3 | 168.9 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | C860 I865 F873 C886 | C860-C875 WeakPolarHBondContact CA-SG 3Å; C860-C875 HydrophobicContact CB-CB 3.84Å; C860-C875 WeakPolarHBondContact CB-SG 3.26Å; C860-C875 VanDerWaalsContact SG-CA 3.5Å; C860-C875 WeakPolarHBondContact SG-CB 3.03Å; C860-C875 CovalentContact SG-SG 2.02Å; C860-C875 PolarHBondContact SG-SG 3.19Å; I865-C875 WeakPolarHBondContact O-CA 3.37Å; F873-C875 VanDerWaalsContact CE2-SG 3.58Å; C875-C886 VanDerWaalsContact CB-SG 3.55Å |
| 876 | I | 79.3 | Confident | 76.4 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 110.3 | 160.8 | -60.2 | -176.2 | 0 | 0 | 0 | 107.1 | I865 I867 | I865-I876 HydrophobicContact CB-CB 4.38Å; I865-I876 PolarHBondContact N-O 3.2Å; I865-I876 PolarHBondContact O-N 3.16Å; I867-I876 HydrophobicContact CD1-CD1 3.52Å; I867-I876 HydrophobicContact CD1-CG1 4.07Å |
| 877 | C | 78.4 | Confident | 76.1 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 144.5 | -178.4 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | Y881 C886 | C877-Y881 VanDerWaalsContact CB-O 3.25Å; C877-Y881 WeakPolarHBondContact CB-O 3.34Å; C877-C886 WeakPolarHBondContact CA-SG 3.42Å; C877-C886 HydrophobicContact CB-CB 3.76Å; C877-C886 WeakPolarHBondContact CB-SG 3.47Å; C877-C886 PolarHBondContact N-SG 2.93Å; C877-C886 WeakPolarHBondContact SG-CA 3.14Å; C877-C886 WeakPolarHBondContact SG-CB 3.29Å; C877-C886 CovalentContact SG-SG 2.04Å; C877-C886 PolarHBondContact SG-SG 2.04Å |
| 878 | R | 73.4 | Confident | 75.8 | Confident | 123 Ų | 123 | 64.2 Ų | 64.2 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 156.1 | 164.6 | -64.9 | -171.4 | 177.7 | -166.2 | 3.8 | 109.2 | E863 Y881 | E863-R878 VanDerWaalsContact CB-NH2 3.26Å; E863-R878 PolarHBondContact O-NE 2.77Å; E863-R878 PolarHBondContact O-NH2 2.93Å; E863-R878 IonicContact OE2-CZ 2.6Å; E863-R878 IonicContact OE2-NH1 2.56Å; E863-R878 PolarHBondContact OE2-NH1 3.27Å; E863-R878 IonicContact OE2-NH2 3.56Å; E863-R878 PolarHBondContact OE2-NH2 2.96Å; R878-Y881 PolarHBondContact O-N 3.34Å |
| 879 | P | 65.7 | Low | 75.4 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 62% | 0.623 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | 145.4 | 170.7 | -27.3 | 36.4 | 0 | 0 | 0 | 111.2 | Y881 N909 | P879-Y881 VanDerWaalsContact C-N 3.32Å; P879-Y881 PolarHBondContact O-N 2.8Å; P879-N909 HydrophobicContact CB-CB 4.36Å; P879-N909 VanDerWaalsContact CB-CG 3.49Å; P879-N909 WeakPolarHBondContact CB-OD1 3.43Å; P879-N909 WeakPolarHBondContact O-CB 3.45Å |
| 880 | G | 64.6 | Low | 75.1 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -3.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | I890 N909 | G880-I890 PolarHBondContact O-N 3.26Å; G880-N909 VanDerWaalsContact CA-CA 3.49Å; G880-N909 PolarHBondContact N-OD1 3.24Å |
| 881 | Y | 78.1 | Confident | 74.8 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 147.9 | 177.5 | -65.1 | -85.9 | 0 | 0 | 0 | 112.5 | H862 C877 R878 P879 V888 N889 P908 | H862-Y881 HydrophobicContact CB-CD1 4.22Å; H862-Y881 HydrophobicContact CB-CD2 4.14Å; H862-Y881 HydrophobicContact CB-CE1 3.99Å; H862-Y881 HydrophobicContact CB-CE2 3.89Å; H862-Y881 HydrophobicContact CB-CG 4.28Å; H862-Y881 AromaticContact CD2-CE1 3.62Å; H862-Y881 AromaticContact CD2-CZ 3.63Å; H862-Y881 PolarHBondContact CD2-OH 2.94Å; H862-Y881 AromaticContact CE1-CD1 3.91Å; H862-Y881 AromaticContact CE1-CE1 3.43Å; H862-Y881 VanDerWaalsContact CE1-CE1 3.43Å; H862-Y881 WeakPolarHBondContact CE1-CE1 3.06Å; H862-Y881 AromaticContact CG-CD1 3.82Å; H862-Y881 AromaticContact CG-CE1 3.36Å; H862-Y881 AromaticContact CG-CZ 3.5Å; H862-Y881 AromaticContact ND1-CD1 3.42Å; H862-Y881 WeakPolarHBondContact ND1-CD1 3.09Å; H862-Y881 AromaticContact ND1-CE1 3.24Å; H862-Y881 WeakPolarHBondContact ND1-CE1 3.41Å; H862-Y881 AromaticContact ND1-CZ 3.91Å; H862-Y881 AromaticContact NE2-CE1 3.66Å; C877-Y881 VanDerWaalsContact CB-O 3.25Å; C877-Y881 WeakPolarHBondContact CB-O 3.34Å; R878-Y881 PolarHBondContact O-N 3.34Å; P879-Y881 VanDerWaalsContact C-N 3.32Å; P879-Y881 PolarHBondContact O-N 2.8Å; Y881-V888 CarbonylContact C-O 3.34Å; Y881-V888 WeakPolarHBondContact CA-O 3.03Å; Y881-N889 HydrophobicContact CD1-CB 4.22Å; Y881-N889 HydrophobicContact CE1-CB 4.09Å; Y881-P908 HydrophobicContact CE2-CB 3.88Å; Y881-P908 WeakPolarHBondContact OH-CB 3.41Å; Y881-P908 WeakPolarHBondContact OH-CG 3.35Å |
| 882 | T | 76.9 | Confident | 75.2 | Confident | 71 Ų | 71 | 63 Ų | 63 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | -174.5 | 179.8 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | C886 E887 V888 I890 | T882-C886 CarbonylContact O-C 3.6Å; T882-C886 VanDerWaalsContact O-CA 3.31Å; T882-C886 WeakPolarHBondContact O-CA 3.26Å; T882-E887 PolarHBondContact O-N 3.45Å; T882-V888 HydrophobicContact CG2-CB 3.78Å; T882-V888 HydrophobicContact CG2-CG1 3.78Å; T882-V888 PolarHBondContact N-O 3.18Å; T882-V888 WeakPolarHBondContact O-CB 3.41Å; T882-V888 PolarHBondContact O-N 2.03Å; T882-V888 VanDerWaalsContact O-O 3.11Å; T882-I890 HydrophobicContact CG2-CG1 3.72Å |
| 883 | G | 71.3 | Confident | 74.9 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 32% | 0.32 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 92.1 | 178.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E887 | G883-E887 VanDerWaalsContact C-OE2 3.26Å; G883-E887 WeakPolarHBondContact CA-OE1 3.03Å; G883-E887 WeakPolarHBondContact CA-OE2 3.33Å |
| 884 | L | 76.1 | Confident | 74.4 | Confident | 149 Ų | 149 | 67.6 Ų | 67.6 | 78% | 0.78 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -81.5 | -23.3 | -171.4 | -65.2 | 173.5 | 0 | 0 | 0 | 113.1 | E887 | L884-E887 PolarHBondContact N-OE1 3.21Å; L884-E887 VanDerWaalsContact N-OE1 3.1Å; L884-E887 PolarHBondContact N-OE2 2.03Å |
| 885 | R | 80.7 | Confident | 74 | Confident | 111 Ų | 111 | 65.5 Ų | 65.5 | 42% | 0.419 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -118.7 | 10.4 | 177.2 | -71.3 | 178.3 | 176.4 | -97.2 | 0 | 112.8 | P859 L861 F873 E887 | P859-R885 WeakPolarHBondContact O-CG 3.24Å; P859-R885 PolarHBondContact O-NH1 2.03Å; L861-R885 PolarHBondContact N-O 3.35Å; F873-R885 HydrophobicContact CE2-CG 3.87Å; F873-R885 HydrophobicContact CZ-CG 3.76Å; R885-E887 VanDerWaalsContact CA-OE2 3.3Å; R885-E887 WeakPolarHBondContact CA-OE2 3.07Å; R885-E887 HydrophobicContact CB-CB 4.49Å; R885-E887 PolarHBondContact N-OE2 2.87Å; R885-E887 PolarHBondContact O-N 2.81Å |
| 886 | C | 78.3 | Confident | 73.1 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 62.7 | 29.2 | -170.5 | -45.7 | 0 | 0 | 0 | 0 | 113.2 | H862 C875 C877 T882 | H862-C886 PolarHBondContact ND1-O 3.14Å; C875-C886 VanDerWaalsContact CB-SG 3.55Å; C877-C886 WeakPolarHBondContact CA-SG 3.42Å; C877-C886 HydrophobicContact CB-CB 3.76Å; C877-C886 WeakPolarHBondContact CB-SG 3.47Å; C877-C886 PolarHBondContact N-SG 2.93Å; C877-C886 WeakPolarHBondContact SG-CA 3.14Å; C877-C886 WeakPolarHBondContact SG-CB 3.29Å; C877-C886 CovalentContact SG-SG 2.04Å; C877-C886 PolarHBondContact SG-SG 2.04Å; T882-C886 CarbonylContact O-C 3.6Å; T882-C886 VanDerWaalsContact O-CA 3.31Å; T882-C886 WeakPolarHBondContact O-CA 3.26Å |
| 887 | E | 76.3 | Confident | 72.9 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | trans | -78.6 | -23.1 | -179 | 75 | -74.4 | -170.7 | 0 | 0 | 113.3 | L861 T882 G883 L884 R885 | L861-E887 HydrophobicContact CD1-CB 3.94Å; T882-E887 PolarHBondContact O-N 3.45Å; G883-E887 VanDerWaalsContact C-OE2 3.26Å; G883-E887 WeakPolarHBondContact CA-OE1 3.03Å; G883-E887 WeakPolarHBondContact CA-OE2 3.33Å; L884-E887 PolarHBondContact N-OE1 3.21Å; L884-E887 VanDerWaalsContact N-OE1 3.1Å; L884-E887 PolarHBondContact N-OE2 2.03Å; R885-E887 VanDerWaalsContact CA-OE2 3.3Å; R885-E887 WeakPolarHBondContact CA-OE2 3.07Å; R885-E887 HydrophobicContact CB-CB 4.49Å; R885-E887 PolarHBondContact N-OE2 2.87Å; R885-E887 PolarHBondContact O-N 2.81Å | ||
| 888 | V | 73.8 | Confident | 72.8 | Confident | 70 Ų | 70 | 66.1 Ų | 66.1 | 42% | 0.424 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 111.6 | -178 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | Y881 T882 | Y881-V888 CarbonylContact C-O 3.34Å; Y881-V888 WeakPolarHBondContact CA-O 3.03Å; T882-V888 HydrophobicContact CG2-CB 3.78Å; T882-V888 HydrophobicContact CG2-CG1 3.78Å; T882-V888 PolarHBondContact N-O 3.18Å; T882-V888 WeakPolarHBondContact O-CB 3.41Å; T882-V888 PolarHBondContact O-N 2.03Å; T882-V888 VanDerWaalsContact O-O 3.11Å |
| 889 | N | 68.9 | Low | 72.8 | Confident | 44 Ų | 44 | 65 Ų | 65 | 24% | 0.235 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 138.1 | 165.2 | 176.8 | -77.9 | 0 | 0 | 0 | 109.6 | Y881 N891 D906 G907 | Y881-N889 HydrophobicContact CD1-CB 4.22Å; Y881-N889 HydrophobicContact CE1-CB 4.09Å; N889-N891 PolarHBondContact O-N 2.92Å; N889-D906 PolarHBondContact OD1-OD2 2.86Å; N889-D906 VanDerWaalsContact OD1-OD2 3.12Å; N889-G907 PolarHBondContact ND2-O 2.59Å |
| 890 | I | 72 | Confident | 72.9 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | trans | -79.4 | 107.6 | 178.6 | -64.2 | 174.4 | 0 | 0 | 0 | 108 | G880 T882 E892 | G880-I890 PolarHBondContact O-N 3.26Å; T882-I890 HydrophobicContact CG2-CG1 3.72Å; I890-E892 PolarHBondContact O-N 3.43Å | ||
| 891 | N | 66.8 | Low | 73.1 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 36% | 0.358 | 40% | 0.395 | S | S | . | . | trans | -69.3 | 97.3 | -176.1 | -169.9 | -71.5 | 0 | 0 | 0 | 112.6 | N889 C893 I894 D906 | N889-N891 PolarHBondContact O-N 2.92Å; N891-C893 PolarHBondContact O-N 3.03Å; N891-C893 WeakPolarHBondContact OD1-CB 3.35Å; N891-C893 PolarHBondContact OD1-N 2.99Å; N891-I894 HydrophobicContact CB-CD1 3.91Å; N891-I894 HydrophobicContact CB-CG1 4.11Å; N891-I894 PolarHBondContact O-N 2.95Å; N891-I894 WeakPolarHBondContact OD1-CG1 3.32Å; N891-I894 PolarHBondContact OD1-N 3.14Å; N891-I894 VanDerWaalsContact OD1-N 3.13Å; N891-D906 WeakPolarHBondContact CA-OD1 3.43Å; N891-D906 VanDerWaalsContact CA-OD2 3.25Å; N891-D906 WeakPolarHBondContact CA-OD2 3.15Å; N891-D906 VanDerWaalsContact CB-OD2 3.32Å; N891-D906 WeakPolarHBondContact CB-OD2 3.38Å; N891-D906 PolarHBondContact ND2-OD2 2.91Å | ||
| 892 | E | 75.6 | Confident | 72.9 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 17% | 0.173 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -75.8 | -17.1 | -176.2 | -75.8 | 117.7 | -165 | 0 | 0 | 112.1 | I890 I894 S895 D906 N909 Q910 Y911 | I890-E892 PolarHBondContact O-N 3.43Å; E892-I894 VanDerWaalsContact C-N 3.28Å; E892-I894 PolarHBondContact O-N 3.21Å; E892-S895 PolarHBondContact O-OG 3.2Å; E892-D906 PolarHBondContact N-OD1 2.03Å; E892-N909 VanDerWaalsContact OE2-C 3.25Å; E892-N909 WeakPolarHBondContact OE2-CA 3.48Å; E892-Q910 PolarHBondContact OE2-N 3.03Å; E892-Y911 HydrophobicContact CB-CD1 3.91Å |
| 893 | C | 71 | Confident | 73 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 14% | 0.142 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -68.4 | -16.5 | 172.4 | -69.3 | 0 | 0 | 0 | 0 | 115.1 | N891 S895 S896 C904 I905 | N891-C893 PolarHBondContact O-N 3.03Å; N891-C893 WeakPolarHBondContact OD1-CB 3.35Å; N891-C893 PolarHBondContact OD1-N 2.99Å; C893-S895 PolarHBondContact O-N 3.07Å; C893-S895 VanDerWaalsContact O-N 3.13Å; C893-S896 PolarHBondContact O-N 2.67Å; C893-C904 WeakPolarHBondContact CA-SG 3.49Å; C893-C904 HydrophobicContact CB-CB 3.63Å; C893-C904 WeakPolarHBondContact CB-SG 3.1Å; C893-C904 WeakPolarHBondContact SG-CB 3.47Å; C893-C904 CovalentContact SG-SG 2.03Å; C893-C904 PolarHBondContact SG-SG 3.47Å; C893-I905 VanDerWaalsContact SG-C 3.53Å |
| 894 | I | 73.9 | Confident | 73.3 | Confident | 139 Ų | 139 | 72.6 Ų | 72.6 | 71% | 0.713 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -58.1 | -26.8 | 176.1 | -71.2 | 170.6 | 0 | 0 | 0 | 112.1 | N891 E892 S896 | N891-I894 HydrophobicContact CB-CD1 3.91Å; N891-I894 HydrophobicContact CB-CG1 4.11Å; N891-I894 PolarHBondContact O-N 2.95Å; N891-I894 WeakPolarHBondContact OD1-CG1 3.32Å; N891-I894 PolarHBondContact OD1-N 3.14Å; N891-I894 VanDerWaalsContact OD1-N 3.13Å; E892-I894 VanDerWaalsContact C-N 3.28Å; E892-I894 PolarHBondContact O-N 3.21Å; I894-S896 PolarHBondContact O-N 2.87Å |
| 895 | S | 68.6 | Low | 73.4 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 63% | 0.629 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -75.5 | -1 | 177 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | E892 C893 | E892-S895 PolarHBondContact O-OG 3.2Å; C893-S895 PolarHBondContact O-N 3.07Å; C893-S895 VanDerWaalsContact O-N 3.13Å |
| 896 | S | 65.6 | Low | 72.7 | Confident | 102 Ų | 102 | 66.1 Ų | 66.1 | 71% | 0.713 | 38% | 0.375 | S | S | * | . | trans | 48.9 | 54.4 | -173.9 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | C893 I894 C898 | C893-S896 PolarHBondContact O-N 2.67Å; I894-S896 PolarHBondContact O-N 2.87Å; S896-C898 PolarHBondContact O-N 3.49Å | ||
| 897 | P | 74.9 | Confident | 72 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 13% | 0.13 | 38% | 0.381 | C | S | . | . | trans | -77.8 | -19.5 | -170.5 | 32.5 | -36.7 | 0 | 0 | 0 | 114.4 | Y911 | P897-Y911 HydrophobicContact CB-CD2 4.03Å; P897-Y911 HydrophobicContact CB-CE1 4.16Å; P897-Y911 HydrophobicContact CB-CE2 3.38Å; P897-Y911 VanDerWaalsContact CB-CZ 3.44Å; P897-Y911 HydrophobicContact CG-CD1 4.17Å; P897-Y911 HydrophobicContact CG-CD2 3.41Å; P897-Y911 VanDerWaalsContact CG-CD2 3.41Å; P897-Y911 HydrophobicContact CG-CE1 4.1Å; P897-Y911 HydrophobicContact CG-CE2 3.33Å; P897-Y911 HydrophobicContact CG-CG 3.83Å | ||
| 898 | C | 76.4 | Confident | 71.2 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | trans | -81.8 | 135 | -178.8 | -50.4 | 0 | 0 | 0 | 0 | 112.1 | S896 G902 C904 C913 | S896-C898 PolarHBondContact O-N 3.49Å; C898-G902 WeakPolarHBondContact CB-O 3.3Å; C898-C904 HydrophobicContact CB-CB 4.42Å; C898-C904 WeakPolarHBondContact SG-CA 3.45Å; C898-C904 WeakPolarHBondContact SG-CB 3.48Å; C898-C913 WeakPolarHBondContact CA-SG 3.4Å; C898-C913 HydrophobicContact CB-CB 3.74Å; C898-C913 WeakPolarHBondContact CB-SG 3.5Å; C898-C913 WeakPolarHBondContact SG-CA 3.35Å; C898-C913 WeakPolarHBondContact SG-CB 3.2Å; C898-C913 CovalentContact SG-SG 2.03Å; C898-C913 PolarHBondContact SG-SG 2.74Å | ||
| 899 | Q | 73.5 | Confident | 70.5 | Confident | 100 Ų | 100 | 67.1 Ų | 67.1 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | trans | -100.3 | 174.1 | -177.4 | -55.4 | -178.1 | 34.4 | 0 | 0 | 110.8 | G901 G902 H923 | Q899-G901 PolarHBondContact O-N 3.09Å; Q899-G902 PolarHBondContact O-N 3.19Å; Q899-H923 WeakPolarHBondContact CB-O 2.93Å; Q899-H923 HydrophobicContact CG-CB 4.44Å; Q899-H923 PolarHBondContact N-O 3.19Å | ||
| 900 | N | 67.1 | Low | 70.3 | Confident | 101 Ų | 101 | 71.2 Ų | 71.2 | 54% | 0.54 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 27.9 | 172.5 | -59.9 | -38.4 | 0 | 0 | 0 | 116.3 | G902 L919 C924 | N900-G902 VanDerWaalsContact C-N 3.34Å; N900-L919 HydrophobicContact CB-CD1 3.99Å; N900-C924 PolarHBondContact ND2-O 3.26Å |
| 901 | G | 69.8 | Low | 70.3 | Confident | 73 Ų | 73 | 71 Ų | 71 | 75% | 0.753 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 8.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q899 | Q899-G901 PolarHBondContact O-N 3.09Š|
| 902 | G | 72.8 | Confident | 70.7 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 13% | 0.134 | 41% | 0.411 | C | S | . | . | trans | -58.6 | 135.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C898 Q899 N900 C904 W914 | C898-G902 WeakPolarHBondContact CB-O 3.3Å; Q899-G902 PolarHBondContact O-N 3.19Å; N900-G902 VanDerWaalsContact C-N 3.34Å; G902-C904 PolarHBondContact O-N 3.33Å; G902-W914 CarbonylContact C-O 3.57Å; G902-W914 WeakPolarHBondContact CA-O 3.3Å | ||
| 903 | R | 80.3 | Confident | 70.7 | Confident | 174 Ų | 174 | 72.2 Ų | 72.2 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 107.5 | 179 | -179.9 | 177.9 | 179.4 | 176.4 | -0.8 | 108.8 | I905 W914 | R903-I905 PolarHBondContact O-N 3.46Å; R903-W914 HydrophobicContact CB-CB 4.43Å; R903-W914 PolarHBondContact N-O 2.85Å; R903-W914 PolarHBondContact O-N 2.91Å |
| 904 | C | 77.4 | Confident | 70.8 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 24% | 0.236 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 124.8 | 172.3 | -162.1 | 0 | 0 | 0 | 0 | 110.4 | C893 C898 G902 | C893-C904 WeakPolarHBondContact CA-SG 3.49Å; C893-C904 HydrophobicContact CB-CB 3.63Å; C893-C904 WeakPolarHBondContact CB-SG 3.1Å; C893-C904 WeakPolarHBondContact SG-CB 3.47Å; C893-C904 CovalentContact SG-SG 2.03Å; C893-C904 PolarHBondContact SG-SG 3.47Å; C898-C904 HydrophobicContact CB-CB 4.42Å; C898-C904 WeakPolarHBondContact SG-CA 3.45Å; C898-C904 WeakPolarHBondContact SG-CB 3.48Å; G902-C904 PolarHBondContact O-N 3.33Å |
| 905 | I | 77.4 | Confident | 70.8 | Confident | 69 Ų | 69 | 72.7 Ų | 72.7 | 35% | 0.354 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.7 | 171 | -54 | -179.8 | 0 | 0 | 0 | 107.4 | C893 R903 H912 W914 | C893-I905 VanDerWaalsContact SG-C 3.53Å; R903-I905 PolarHBondContact O-N 3.46Å; I905-H912 PolarHBondContact N-O 2.81Å; I905-H912 PolarHBondContact O-N 3.44Å; I905-W914 HydrophobicContact CD1-CB 3.84Å; I905-W914 HydrophobicContact CD1-CD2 4.42Å; I905-W914 HydrophobicContact CD1-CE3 3.9Å; I905-W914 HydrophobicContact CD1-CG 4.48Å; I905-W914 HydrophobicContact CG1-CB 4.24Å |
| 906 | D | 65.6 | Low | 70.7 | Confident | 55 Ų | 55 | 70.9 Ų | 70.9 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | trans | -76.8 | 148.5 | -179.1 | -153.2 | 29.8 | 0 | 0 | 0 | 111.3 | N889 N891 E892 | N889-D906 PolarHBondContact OD1-OD2 2.86Å; N889-D906 VanDerWaalsContact OD1-OD2 3.12Å; N891-D906 WeakPolarHBondContact CA-OD1 3.43Å; N891-D906 VanDerWaalsContact CA-OD2 3.25Å; N891-D906 WeakPolarHBondContact CA-OD2 3.15Å; N891-D906 VanDerWaalsContact CB-OD2 3.32Å; N891-D906 WeakPolarHBondContact CB-OD2 3.38Å; N891-D906 PolarHBondContact ND2-OD2 2.91Å; E892-D906 PolarHBondContact N-OD1 2.03Å | ||
| 907 | G | 65.3 | Low | 70.7 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | trans | -156 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N889 N909 Q910 | N889-G907 PolarHBondContact ND2-O 2.59Å; G907-N909 PolarHBondContact O-N 3.34Å; G907-Q910 CarbonylContact C-O 3.28Å; G907-Q910 WeakPolarHBondContact CA-O 3.46Å; G907-Q910 PolarHBondContact N-O 3.33Å | ||
| 908 | P | 58.8 | Low | 70 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 47% | 0.474 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 101 | -178.1 | -22.6 | 36.5 | 0 | 0 | 0 | 112.4 | Y881 Q910 | Y881-P908 HydrophobicContact CE2-CB 3.88Å; Y881-P908 WeakPolarHBondContact OH-CB 3.41Å; Y881-P908 WeakPolarHBondContact OH-CG 3.35Å; P908-Q910 PolarHBondContact O-N 3.29Å |
| 909 | N | 58.9 | Low | 69.7 | Low | 91 Ų | 91 | 70.7 Ų | 70.7 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 21.1 | -179.9 | -164.9 | 66.5 | 0 | 0 | 0 | 114 | P879 G880 E892 G907 | P879-N909 HydrophobicContact CB-CB 4.36Å; P879-N909 VanDerWaalsContact CB-CG 3.49Å; P879-N909 WeakPolarHBondContact CB-OD1 3.43Å; P879-N909 WeakPolarHBondContact O-CB 3.45Å; G880-N909 VanDerWaalsContact CA-CA 3.49Å; G880-N909 PolarHBondContact N-OD1 3.24Å; E892-N909 VanDerWaalsContact OE2-C 3.25Å; E892-N909 WeakPolarHBondContact OE2-CA 3.48Å; G907-N909 PolarHBondContact O-N 3.34Å |
| 910 | Q | 63.8 | Low | 69.3 | Low | 130 Ų | 130 | 70.3 Ų | 70.3 | 61% | 0.607 | 37% | 0.374 | S | S | * | . | trans | -159.8 | 139 | -178.3 | 67.1 | -176.8 | 26.7 | 0 | 0 | 108.8 | E892 G907 P908 | E892-Q910 PolarHBondContact OE2-N 3.03Å; G907-Q910 CarbonylContact C-O 3.28Å; G907-Q910 WeakPolarHBondContact CA-O 3.46Å; G907-Q910 PolarHBondContact N-O 3.33Å; P908-Q910 PolarHBondContact O-N 3.29Å | ||
| 911 | Y | 72 | Confident | 69 | Low | 65 Ų | 65 | 67.3 Ų | 67.3 | 26% | 0.255 | 37% | 0.366 | S | S | . | . | trans | -98.4 | 146.5 | 165.7 | 58.8 | -84.3 | 0 | 0 | 0 | 109.6 | E892 P897 H923 | E892-Y911 HydrophobicContact CB-CD1 3.91Å; P897-Y911 HydrophobicContact CB-CD2 4.03Å; P897-Y911 HydrophobicContact CB-CE1 4.16Å; P897-Y911 HydrophobicContact CB-CE2 3.38Å; P897-Y911 VanDerWaalsContact CB-CZ 3.44Å; P897-Y911 HydrophobicContact CG-CD1 4.17Å; P897-Y911 HydrophobicContact CG-CD2 3.41Å; P897-Y911 VanDerWaalsContact CG-CD2 3.41Å; P897-Y911 HydrophobicContact CG-CE1 4.1Å; P897-Y911 HydrophobicContact CG-CE2 3.33Å; P897-Y911 HydrophobicContact CG-CG 3.83Å; Y911-H923 AromaticContact CE2-CE1 3.85Å; Y911-H923 AromaticContact CE2-ND1 3.58Å; Y911-H923 AromaticContact CZ-CE1 3.75Å; Y911-H923 AromaticContact CZ-ND1 3.94Å; Y911-H923 PolarHBondContact OH-CE1 2.95Å; Y911-H923 PolarHBondContact OH-ND1 2.83Å | ||
| 912 | H | 75.6 | Confident | 69 | Low | 126 Ų | 126 | 70.1 Ų | 70.1 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.6 | 170.9 | -173.9 | 70.6 | 0 | 0 | 0 | 109.3 | I905 W914 | I905-H912 PolarHBondContact N-O 2.81Å; I905-H912 PolarHBondContact O-N 3.44Å; H912-W914 PolarHBondContact O-N 3.24Å |
| 913 | C | 76.5 | Confident | 69.2 | Low | 5 Ų | 5 | 72.1 Ų | 72.1 | 3% | 0.034 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 106.3 | 173 | -64.4 | 0 | 0 | 0 | 0 | 109.2 | C898 C915 C924 | C898-C913 WeakPolarHBondContact CA-SG 3.4Å; C898-C913 HydrophobicContact CB-CB 3.74Å; C898-C913 WeakPolarHBondContact CB-SG 3.5Å; C898-C913 WeakPolarHBondContact SG-CA 3.35Å; C898-C913 WeakPolarHBondContact SG-CB 3.2Å; C898-C913 CovalentContact SG-SG 2.03Å; C898-C913 PolarHBondContact SG-SG 2.74Å; C913-C915 PolarHBondContact O-N 3.08Å; C913-C915 PolarHBondContact O-SG 2.97Å; C913-C924 WeakPolarHBondContact CB-SG 3.44Å |
| 914 | W | 72.8 | Confident | 68.7 | Low | 150 Ų | 150 | 63.8 Ų | 63.8 | 57% | 0.568 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 103 | 166.8 | -170.2 | 0.4 | 0 | 0 | 0 | 107.9 | G902 R903 I905 H912 | G902-W914 CarbonylContact C-O 3.57Å; G902-W914 WeakPolarHBondContact CA-O 3.3Å; R903-W914 HydrophobicContact CB-CB 4.43Å; R903-W914 PolarHBondContact N-O 2.85Å; R903-W914 PolarHBondContact O-N 2.91Å; I905-W914 HydrophobicContact CD1-CB 3.84Å; I905-W914 HydrophobicContact CD1-CD2 4.42Å; I905-W914 HydrophobicContact CD1-CE3 3.9Å; I905-W914 HydrophobicContact CD1-CG 4.48Å; I905-W914 HydrophobicContact CG1-CB 4.24Å; H912-W914 PolarHBondContact O-N 3.24Å |
| 915 | C | 73 | Confident | 68.4 | Low | 20 Ų | 20 | 66 Ų | 66 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 141.8 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 110.3 | C913 L919 C924 | C913-C915 PolarHBondContact O-N 3.08Å; C913-C915 PolarHBondContact O-SG 2.97Å; C915-L919 HydrophobicContact CB-CB 3.94Å; C915-L919 WeakPolarHBondContact CB-O 3.03Å; C915-C924 WeakPolarHBondContact CA-SG 3.4Å; C915-C924 HydrophobicContact CB-CB 3.74Å; C915-C924 WeakPolarHBondContact CB-SG 3.12Å; C915-C924 PolarHBondContact N-SG 2.04Å; C915-C924 VanDerWaalsContact N-SG 3.42Å; C915-C924 WeakPolarHBondContact SG-CA 3.01Å; C915-C924 WeakPolarHBondContact SG-CB 3.34Å; C915-C924 CovalentContact SG-SG 2.04Å; C915-C924 PolarHBondContact SG-SG 3.44Å |
| 916 | P | 67.1 | Low | 68 | Low | 52 Ų | 52 | 65.3 Ų | 65.3 | 34% | 0.338 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 150.6 | 163.1 | -12.5 | 29.6 | 0 | 0 | 0 | 108 | L919 | P916-L919 HydrophobicContact CB-CD1 4.35Å; P916-L919 HydrophobicContact CG-CD1 4.07Å; P916-L919 WeakPolarHBondContact O-CB 3.11Å; P916-L919 PolarHBondContact O-N 3.16Å; P916-L919 VanDerWaalsContact O-N 3.14Å |
| 917 | D | 65.4 | Low | 67.7 | Low | 109 Ų | 109 | 65.4 Ų | 65.4 | 58% | 0.583 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 143.8 | -176.6 | -53.5 | -46.7 | 0 | 0 | 0 | 111.4 | L919 N957 | D917-L919 VanDerWaalsContact C-N 3.32Å; D917-L919 PolarHBondContact O-N 3.44Å; D917-N957 HydrophobicContact CB-CB 3.93Å; D917-N957 VanDerWaalsContact CB-ND2 3.26Å; D917-N957 WeakPolarHBondContact CB-ND2 3.18Å; D917-N957 WeakPolarHBondContact CB-OD1 3.41Å; D917-N957 WeakPolarHBondContact O-CB 3.04Å |
| 918 | G | 61 | Low | 67.6 | Low | 9 Ų | 9 | 66.7 Ų | 66.7 | 9% | 0.093 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 4.9 | -174 | 0 | 0 | 0 | 0 | 0 | 116.6 | N927 V928 E930 | G918-N927 PolarHBondContact O-OD1 2.79Å; G918-V928 PolarHBondContact O-N 3.08Å; G918-E930 WeakPolarHBondContact CA-OE1 3.01Å |
| 919 | L | 70 | Confident | 67.6 | Low | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.9 | 171.1 | -69.2 | 158.2 | 0 | 0 | 0 | 111 | N900 C915 P916 D917 S926 I956 | N900-L919 HydrophobicContact CB-CD1 3.99Å; C915-L919 HydrophobicContact CB-CB 3.94Å; C915-L919 WeakPolarHBondContact CB-O 3.03Å; P916-L919 HydrophobicContact CB-CD1 4.35Å; P916-L919 HydrophobicContact CG-CD1 4.07Å; P916-L919 WeakPolarHBondContact O-CB 3.11Å; P916-L919 PolarHBondContact O-N 3.16Å; P916-L919 VanDerWaalsContact O-N 3.14Å; D917-L919 VanDerWaalsContact C-N 3.32Å; D917-L919 PolarHBondContact O-N 3.44Å; L919-S926 CarbonylContact C-O 3.55Å; L919-S926 WeakPolarHBondContact CA-O 3.17Å; L919-S926 WeakPolarHBondContact CD2-O 3Å; L919-I956 HydrophobicContact CD1-CG2 4.39Å; L919-I956 HydrophobicContact CG-CG2 4.38Å |
| 920 | I | 65.9 | Low | 67.7 | Low | 93 Ų | 93 | 62.3 Ų | 62.3 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 175.9 | 177.9 | 50.4 | 167.7 | 0 | 0 | 0 | 111.2 | E925 S926 V928 | I920-E925 PolarHBondContact O-N 3.35Å; I920-S926 PolarHBondContact N-O 2.67Å; I920-S926 WeakPolarHBondContact O-CA 3.45Å; I920-S926 WeakPolarHBondContact O-CB 3.48Å; I920-S926 PolarHBondContact O-N 3.24Å; I920-V928 HydrophobicContact CB-CG2 4.09Å; I920-V928 HydrophobicContact CD1-CG2 4.09Å; I920-V928 HydrophobicContact CG1-CG2 3.72Å; I920-V928 HydrophobicContact CG2-CG2 3.46Å; I920-V928 VanDerWaalsContact CG2-CG2 3.46Å |
| 921 | G | 60.9 | Low | 67.4 | Low | 37 Ų | 37 | 57.2 Ų | 57.2 | 38% | 0.381 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 105.1 | 164 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H923 C924 E925 | G921-H923 PolarHBondContact O-N 3.28Å; G921-C924 PolarHBondContact O-N 2.04Å; G921-E925 WeakPolarHBondContact CA-OE1 3.41Å; G921-E925 WeakPolarHBondContact CA-OE2 3.4Å |
| 922 | L | 68.8 | Low | 66.5 | Low | 132 Ų | 132 | 61.1 Ų | 61.1 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.3 | -171.6 | -120.4 | 140.4 | 0 | 0 | 0 | 112.6 | E925 | L922-E925 PolarHBondContact N-OE1 3Å; L922-E925 PolarHBondContact N-OE2 3.2Å; L922-E925 VanDerWaalsContact N-OE2 3.15Å |
| 923 | H | 76.5 | Confident | 65.5 | Low | 55 Ų | 55 | 59.5 Ų | 59.5 | 26% | 0.255 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 15.8 | -178.6 | -50.6 | -32 | 0 | 0 | 0 | 112 | Q899 Y911 G921 E925 | Q899-H923 WeakPolarHBondContact CB-O 2.93Å; Q899-H923 HydrophobicContact CG-CB 4.44Å; Q899-H923 PolarHBondContact N-O 3.19Å; Y911-H923 AromaticContact CE2-CE1 3.85Å; Y911-H923 AromaticContact CE2-ND1 3.58Å; Y911-H923 AromaticContact CZ-CE1 3.75Å; Y911-H923 AromaticContact CZ-ND1 3.94Å; Y911-H923 PolarHBondContact OH-CE1 2.95Å; Y911-H923 PolarHBondContact OH-ND1 2.83Å; G921-H923 PolarHBondContact O-N 3.28Å; H923-E925 VanDerWaalsContact C-OE2 3.22Å; H923-E925 VanDerWaalsContact CA-OE2 3.25Å; H923-E925 WeakPolarHBondContact CA-OE2 3.4Å; H923-E925 WeakPolarHBondContact CB-OE2 3.21Å; H923-E925 PolarHBondContact N-OE2 3.37Å; H923-E925 PolarHBondContact O-N 3.38Å |
| 924 | C | 70 | Confident | 64.3 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 59.3 | 32.8 | -173.5 | -47 | 0 | 0 | 0 | 0 | 114 | N900 C913 C915 G921 | N900-C924 PolarHBondContact ND2-O 3.26Å; C913-C924 WeakPolarHBondContact CB-SG 3.44Å; C915-C924 WeakPolarHBondContact CA-SG 3.4Å; C915-C924 HydrophobicContact CB-CB 3.74Å; C915-C924 WeakPolarHBondContact CB-SG 3.12Å; C915-C924 PolarHBondContact N-SG 2.04Å; C915-C924 VanDerWaalsContact N-SG 3.42Å; C915-C924 WeakPolarHBondContact SG-CA 3.01Å; C915-C924 WeakPolarHBondContact SG-CB 3.34Å; C915-C924 CovalentContact SG-SG 2.04Å; C915-C924 PolarHBondContact SG-SG 3.44Å; G921-C924 PolarHBondContact O-N 2.04Å |
| 925 | E | 72.1 | Confident | 63.6 | Low | 82 Ų | 82 | 57 Ų | 57 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | trans | -81.8 | -16.5 | -175.4 | 71.3 | -80.2 | -169.3 | 0 | 0 | 114.2 | I920 G921 L922 H923 | I920-E925 PolarHBondContact O-N 3.35Å; G921-E925 WeakPolarHBondContact CA-OE1 3.41Å; G921-E925 WeakPolarHBondContact CA-OE2 3.4Å; L922-E925 PolarHBondContact N-OE1 3Å; L922-E925 PolarHBondContact N-OE2 3.2Å; L922-E925 VanDerWaalsContact N-OE2 3.15Å; H923-E925 VanDerWaalsContact C-OE2 3.22Å; H923-E925 VanDerWaalsContact CA-OE2 3.25Å; H923-E925 WeakPolarHBondContact CA-OE2 3.4Å; H923-E925 WeakPolarHBondContact CB-OE2 3.21Å; H923-E925 PolarHBondContact N-OE2 3.37Å; H923-E925 PolarHBondContact O-N 3.38Å | ||
| 926 | S | 67.2 | Low | 63 | Low | 54 Ų | 54 | 57.7 Ų | 57.7 | 38% | 0.378 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141.6 | -176.1 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | L919 I920 | L919-S926 CarbonylContact C-O 3.55Å; L919-S926 WeakPolarHBondContact CA-O 3.17Å; L919-S926 WeakPolarHBondContact CD2-O 3Å; I920-S926 PolarHBondContact N-O 2.67Å; I920-S926 WeakPolarHBondContact O-CA 3.45Å; I920-S926 WeakPolarHBondContact O-CB 3.48Å; I920-S926 PolarHBondContact O-N 3.24Å |
| 927 | N | 60 | Low | 62.7 | Low | 56 Ų | 56 | 60.2 Ų | 60.2 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146.7 | 162.5 | -148.2 | 63.7 | 0 | 0 | 0 | 108.6 | G918 D954 I956 | G918-N927 PolarHBondContact O-OD1 2.79Å; N927-D954 PolarHBondContact ND2-OD1 3.07Å; N927-D954 PolarHBondContact ND2-OD2 2.92Å; N927-I956 WeakPolarHBondContact OD1-CG1 3.01Å |
| 928 | V | 62.7 | Low | 62.5 | Low | 40 Ų | 40 | 58.7 Ų | 58.7 | 24% | 0.242 | 34% | 0.34 | C | S | . | . | trans | -63.4 | 154.8 | 155.5 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | G918 I920 E930 | G918-V928 PolarHBondContact O-N 3.08Å; I920-V928 HydrophobicContact CB-CG2 4.09Å; I920-V928 HydrophobicContact CD1-CG2 4.09Å; I920-V928 HydrophobicContact CG1-CG2 3.72Å; I920-V928 HydrophobicContact CG2-CG2 3.46Å; I920-V928 VanDerWaalsContact CG2-CG2 3.46Å; V928-E930 VanDerWaalsContact C-OE2 3.27Å; V928-E930 WeakPolarHBondContact CB-OE2 3.33Å; V928-E930 HydrophobicContact CG1-CG 3.95Å | ||
| 929 | D | 59.8 | Low | 62.2 | Low | 45 Ų | 45 | 59.2 Ų | 59.2 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | trans | -113.1 | 78.5 | 170.5 | -177.6 | -9.9 | 0 | 0 | 0 | 105.6 | C931 M932 R950 | D929-C931 PolarHBondContact O-N 2.85Å; D929-C931 WeakPolarHBondContact OD1-CB 3.29Å; D929-M932 HydrophobicContact CB-CG 3.94Å; D929-M932 VanDerWaalsContact CG-CG 3.48Å; D929-M932 WeakPolarHBondContact O-CB 3.2Å; D929-M932 PolarHBondContact O-N 3.41Å; D929-M932 WeakPolarHBondContact OD2-CG 3.23Å; D929-R950 VanDerWaalsContact CG-NH1 3.34Å; D929-R950 IonicContact OD1-NH1 3.84Å; D929-R950 PolarHBondContact OD1-NH1 3.2Å; D929-R950 IonicContact OD2-CZ 3.45Å; D929-R950 IonicContact OD2-NH1 3.41Å; D929-R950 PolarHBondContact OD2-NH1 2.86Å; D929-R950 IonicContact OD2-NH2 2.67Å | ||
| 930 | E | 61.4 | Low | 61.6 | Low | 28 Ų | 28 | 66.7 Ų | 66.7 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -58.8 | -16 | -175.3 | -75.7 | 86.1 | 155.8 | 0 | 0 | 112 | G918 V928 M932 S933 N957 Y959 | G918-E930 WeakPolarHBondContact CA-OE1 3.01Å; V928-E930 VanDerWaalsContact C-OE2 3.27Å; V928-E930 WeakPolarHBondContact CB-OE2 3.33Å; V928-E930 HydrophobicContact CG1-CG 3.95Å; E930-M932 VanDerWaalsContact C-N 3.34Å; E930-S933 PolarHBondContact O-OG 2.85Å; E930-N957 WeakPolarHBondContact OE1-CA 3.42Å; E930-Y959 HydrophobicContact CB-CD1 3.97Å |
| 931 | C | 56.5 | Low | 60.6 | Low | 22 Ų | 22 | 67.4 Ų | 67.4 | 15% | 0.149 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -74.3 | -17 | 173.1 | -58.9 | 0 | 0 | 0 | 0 | 113.9 | D929 S933 A934 C952 | D929-C931 PolarHBondContact O-N 2.85Å; D929-C931 WeakPolarHBondContact OD1-CB 3.29Å; C931-S933 VanDerWaalsContact C-N 3.3Å; C931-S933 PolarHBondContact O-N 2.88Å; C931-A934 PolarHBondContact O-N 3.11Å; C931-C952 HydrophobicContact CB-CB 3.67Å; C931-C952 WeakPolarHBondContact CB-SG 3.21Å; C931-C952 WeakPolarHBondContact SG-CB 3.13Å; C931-C952 CovalentContact SG-SG 2.04Å; C931-C952 PolarHBondContact SG-SG 3.08Å |
| 932 | M | 53.7 | Low | 59.3 | Low | 148 Ų | 148 | 74.4 Ų | 74.4 | 73% | 0.729 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -73 | -16.4 | -179.6 | -71.7 | -132.6 | -63.5 | 0 | 0 | 114.5 | D929 E930 A934 | D929-M932 HydrophobicContact CB-CG 3.94Å; D929-M932 VanDerWaalsContact CG-CG 3.48Å; D929-M932 WeakPolarHBondContact O-CB 3.2Å; D929-M932 PolarHBondContact O-N 3.41Å; D929-M932 WeakPolarHBondContact OD2-CG 3.23Å; E930-M932 VanDerWaalsContact C-N 3.34Å; M932-A934 VanDerWaalsContact C-N 3.27Å |
| 933 | S | 54.2 | Low | 57.6 | Low | 91 Ų | 91 | 75.9 Ų | 75.9 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -83 | 0.1 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | E930 C931 | E930-S933 PolarHBondContact O-OG 2.85Å; C931-S933 VanDerWaalsContact C-N 3.3Å; C931-S933 PolarHBondContact O-N 2.88Å |
| 934 | A | 52.2 | Low | 55.4 | Low | 82 Ų | 82 | 82 Ų | 82 | 68% | 0.678 | 44% | 0.438 | S | S | * | . | trans | 49.1 | 55.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C931 M932 C936 | C931-A934 PolarHBondContact O-N 3.11Å; M932-A934 VanDerWaalsContact C-N 3.27Å; A934-C936 VanDerWaalsContact C-N 3.3Å; A934-C936 PolarHBondContact O-N 3.11Å | ||
| 935 | P | 56.5 | Low | 53.6 | Low | 20 Ų | 20 | 88.3 Ų | 88.3 | 13% | 0.13 | 48% | 0.478 | C | S | . | . | trans | -73.3 | -13.7 | -167 | 30.4 | -37 | 0 | 0 | 0 | 115.3 | Y959 R971 | P935-Y959 HydrophobicContact CB-CD2 4.29Å; P935-Y959 HydrophobicContact CB-CE1 4.3Å; P935-Y959 HydrophobicContact CB-CE2 3.68Å; P935-Y959 HydrophobicContact CG-CD1 4.33Å; P935-Y959 HydrophobicContact CG-CD2 3.65Å; P935-Y959 HydrophobicContact CG-CE1 4.28Å; P935-Y959 HydrophobicContact CG-CE2 3.57Å; P935-Y959 HydrophobicContact CG-CG 4.04Å; P935-R971 WeakPolarHBondContact O-CB 2.93Å; P935-R971 WeakPolarHBondContact O-CD 3.08Å; P935-R971 PolarHBondContact O-NE 3.45Å | ||
| 936 | C | 61.8 | Low | 52.2 | Low | 36 Ų | 36 | 90 Ų | 90 | 24% | 0.243 | 49% | 0.493 | C | S | . | . | trans | -82.8 | 122.9 | 178.9 | -46 | 0 | 0 | 0 | 0 | 110.6 | A934 C961 R971 | A934-C936 VanDerWaalsContact C-N 3.3Å; A934-C936 PolarHBondContact O-N 3.11Å; C936-C961 VanDerWaalsContact CA-SG 3.57Å; C936-C961 HydrophobicContact CB-CB 3.83Å; C936-C961 WeakPolarHBondContact CB-SG 3.03Å; C936-C961 WeakPolarHBondContact SG-CB 3.28Å; C936-C961 CovalentContact SG-SG 2.03Å; C936-C961 PolarHBondContact SG-SG 3.47Å; C936-R971 CarbonylContact C-O 3.45Å; C936-R971 WeakPolarHBondContact CA-O 3.12Å | ||
| 937 | L | 61 | Low | 51 | Low | 105 Ų | 105 | 96.7 Ų | 96.7 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -80.9 | -62.7 | -175.7 | -72 | 168.9 | 0 | 0 | 0 | 112.5 | R971 E973 | L937-R971 PolarHBondContact N-O 3.45Å; L937-E973 HydrophobicContact CD1-CB 3.99Å |
| 938 | H | 60.2 | Low | 50 | Low | 76 Ų | 76 | 103.3 Ų | 103.3 | 35% | 0.352 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -110.5 | 60.8 | -179.3 | -62.1 | -76.8 | 0 | 0 | 0 | 111.5 | E964 W967 C972 | H938-E964 PolarHBondContact O-N 3.35Å; H938-W967 HydrophobicContact CB-CB 4.2Å; H938-W967 HydrophobicContact CB-CD2 3.62Å; H938-W967 HydrophobicContact CB-CE3 4.2Å; H938-W967 HydrophobicContact CB-CG 3.57Å; H938-W967 AromaticContact CD2-CD2 3.69Å; H938-W967 AromaticContact CD2-CE2 3.7Å; H938-W967 AromaticContact CD2-CE3 3.55Å; H938-W967 AromaticContact CD2-CH2 3.49Å; H938-W967 VanDerWaalsContact CD2-CH2 3.49Å; H938-W967 WeakPolarHBondContact CD2-CH2 3.22Å; H938-W967 AromaticContact CD2-CZ2 3.61Å; H938-W967 AromaticContact CD2-CZ3 3.46Å; H938-W967 VanDerWaalsContact CD2-CZ3 3.46Å; H938-W967 WeakPolarHBondContact CD2-CZ3 3.49Å; H938-W967 AromaticContact CE1-CZ2 3.84Å; H938-W967 AromaticContact CG-CD2 3.67Å; H938-W967 AromaticContact CG-CE2 3.53Å; H938-W967 AromaticContact CG-CZ2 3.79Å; H938-W967 AromaticContact CG-NE1 3.91Å; H938-W967 AromaticContact ND1-CE2 3.93Å; H938-W967 AromaticContact ND1-CZ2 3.92Å; H938-W967 AromaticContact NE2-CH2 3.5Å; H938-W967 WeakPolarHBondContact NE2-CH2 3.35Å; H938-W967 AromaticContact NE2-CZ2 3.68Å; H938-W967 AromaticContact NE2-CZ3 3.89Å; H938-C972 HydrophobicContact CB-CB 4.38Å; H938-C972 PolarHBondContact N-O 2.93Å; H938-C972 WeakPolarHBondContact O-CB 3.32Å |
| 939 | G | 55.1 | Low | 48.8 | Very low | 21 Ų | 21 | 111.2 Ų | 111.2 | 22% | 0.216 | 58% | 0.576 | C | S | . | * | trans | -147.5 | 136.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F962 | G939-F962 VanDerWaalsContact CA-O 3.25Å; G939-F962 WeakPolarHBondContact CA-O 3.32Å | ||
| 940 | R | 56.7 | Low | 47.9 | Very low | 178 Ų | 178 | 117.1 Ų | 117.1 | 67% | 0.672 | 60% | 0.595 | S | S | * | * | trans | -100.9 | 128.4 | -176.5 | -52.6 | -161.8 | -171.1 | -176.3 | 12.1 | 114.2 | K942 E964 | R940-K942 PolarHBondContact O-N 2.79Å; R940-E964 HydrophobicContact CG-CG 3.94Å; R940-E964 WeakPolarHBondContact CG-OE1 3.49Å; R940-E964 IonicContact CZ-OE1 3.21Å; R940-E964 IonicContact CZ-OE2 2.97Å; R940-E964 IonicContact NE-OE1 3.58Å; R940-E964 PolarHBondContact NE-OE1 3.08Å; R940-E964 IonicContact NE-OE2 2.7Å; R940-E964 PolarHBondContact NE-OE2 3.07Å; R940-E964 IonicContact NH2-OE1 3.84Å; R940-E964 IonicContact NH2-OE2 2.69Å; R940-E964 PolarHBondContact NH2-OE2 3.23Å | ||
| 941 | C | 44.6 | Very low | 47.6 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 72% | 0.723 | 62% | 0.618 | S | S | * | * | trans | -75.3 | 112.7 | 144.7 | -79.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 942 | K | 35.2 | Very low | 47.2 | Very low | 184 Ų | 184 | 121.3 Ų | 121.3 | 80% | 0.8 | 62% | 0.617 | S | S | * | * | trans | -108.9 | 119.2 | 171.4 | -151 | 174.4 | -172.4 | 179.6 | 0 | 111.4 | R940 | R940-K942 PolarHBondContact O-N 2.79Š| ||
| 943 | L | 32.2 | Very low | 47.1 | Very low | 163 Ų | 163 | 121.9 Ų | 121.9 | 85% | 0.853 | 62% | 0.615 | S | S | * | * | trans | -76.3 | 126.8 | 179.3 | -158.3 | 89 | 0 | 0 | 0 | 110.1 | ||||
| 944 | F | 31.1 | Very low | 46.9 | Very low | 183 Ų | 183 | 120.9 Ų | 120.9 | 80% | 0.803 | 60% | 0.602 | S | S | * | * | trans | -154.7 | 132.9 | 153.3 | -117.8 | -80.3 | 0 | 0 | 0 | 112.8 | ||||
| 945 | T | 31.7 | Very low | 47.1 | Very low | 134 Ų | 134 | 118 Ų | 118 | 82% | 0.822 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 69.6 | 156.3 | 176.3 | 72 | 0 | 0 | 0 | 0 | 118.4 | ||
| 946 | V | 43.4 | Very low | 47.1 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 70% | 0.703 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -93.2 | 141.4 | -162.7 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 947 | F | 40.8 | Very low | 46.7 | Very low | 196 Ų | 196 | 125.5 Ų | 125.5 | 86% | 0.86 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 87.2 | 102.6 | 176.8 | -53.1 | -75.4 | 0 | 0 | 0 | 117.8 | ||
| 948 | Q | 40.4 | Very low | 46.3 | Very low | 195 Ų | 195 | 123.3 Ų | 123.3 | 91% | 0.911 | 61% | 0.61 | S | S | * | * | trans | 86.7 | 130.3 | 161.1 | -66.2 | -167.5 | -17.2 | 0 | 0 | 122.2 | ||||
| 949 | K | 37.4 | Very low | 46.4 | Very low | 205 Ų | 205 | 123.5 Ų | 123.5 | 89% | 0.891 | 61% | 0.608 | S | S | * | * | trans | 78.7 | 129.8 | 158.1 | -124.4 | 173.6 | -175.6 | 178.6 | 0 | 120.1 | ||||
| 950 | R | 39.9 | Very low | 46.5 | Very low | 169 Ų | 169 | 126 Ų | 126 | 64% | 0.638 | 62% | 0.619 | S | S | * | * | trans | -79 | 153.3 | 173.7 | -58.9 | -177.5 | -176.8 | 176.5 | 4.4 | 110.8 | D929 | D929-R950 VanDerWaalsContact CG-NH1 3.34Å; D929-R950 IonicContact OD1-NH1 3.84Å; D929-R950 PolarHBondContact OD1-NH1 3.2Å; D929-R950 IonicContact OD2-CZ 3.45Å; D929-R950 IonicContact OD2-NH1 3.41Å; D929-R950 PolarHBondContact OD2-NH1 2.86Å; D929-R950 IonicContact OD2-NH2 2.67Å | ||
| 951 | I | 55.1 | Low | 46.8 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 62% | 0.621 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -120.7 | 50 | 175.4 | -44.5 | 179 | 0 | 0 | 0 | 110.8 | F962 | I951-F962 HydrophobicContact CG2-CD2 3.82Å; I951-F962 HydrophobicContact CG2-CE2 3.7Å |
| 952 | C | 47.9 | Very low | 47.6 | Very low | 18 Ų | 18 | 119.8 Ų | 119.8 | 12% | 0.122 | 59% | 0.587 | C | S | . | * | S | Bend | trans | -118.8 | 123.8 | 139.2 | 163.8 | 0 | 0 | 0 | 0 | 103.1 | C931 D954 | C931-C952 HydrophobicContact CB-CB 3.67Å; C931-C952 WeakPolarHBondContact CB-SG 3.21Å; C931-C952 WeakPolarHBondContact SG-CB 3.13Å; C931-C952 CovalentContact SG-SG 2.04Å; C931-C952 PolarHBondContact SG-SG 3.08Å; C952-D954 PolarHBondContact O-N 3.4Å; C952-D954 VanDerWaalsContact O-N 3.11Å |
| 953 | K | 52.6 | Low | 49 | Very low | 159 Ų | 159 | 113.5 Ų | 113.5 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | trans | -87.4 | 88.3 | -172.4 | -165 | -174.3 | 175.3 | -163.6 | 0 | 109.3 | ||||
| 954 | D | 49.6 | Very low | 50.6 | Low | 70 Ų | 70 | 108.8 Ų | 108.8 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | trans | -51.8 | 139.9 | 169.4 | -177.4 | 42.3 | 0 | 0 | 0 | 111.7 | N927 C952 | N927-D954 PolarHBondContact ND2-OD1 3.07Å; N927-D954 PolarHBondContact ND2-OD2 2.92Å; C952-D954 PolarHBondContact O-N 3.4Å; C952-D954 VanDerWaalsContact O-N 3.11Å | ||
| 955 | G | 55.2 | Low | 52.3 | Low | 21 Ų | 21 | 105 Ų | 105 | 22% | 0.216 | 53% | 0.531 | C | S | . | . | B | Isolated β-bridge | trans | -166.4 | 156.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N957 S958 | G955-N957 PolarHBondContact O-N 2.84Å; G955-S958 CarbonylContact C-O 3.6Å; G955-S958 WeakPolarHBondContact CA-O 3.47Å; G955-S958 PolarHBondContact N-O 3.17Å; G955-S958 PolarHBondContact O-N 2.02Å |
| 956 | I | 57.2 | Low | 53.7 | Low | 118 Ų | 118 | 98.9 Ų | 98.9 | 61% | 0.605 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 109.7 | -173.8 | -57.2 | 164.5 | 0 | 0 | 0 | 109.2 | L919 N927 S958 | L919-I956 HydrophobicContact CD1-CG2 4.39Å; L919-I956 HydrophobicContact CG-CG2 4.38Å; N927-I956 WeakPolarHBondContact OD1-CG1 3.01Å; I956-S958 VanDerWaalsContact C-N 3.31Å; I956-S958 PolarHBondContact O-N 3.48Å |
| 957 | N | 54.7 | Low | 54.8 | Low | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 26.7 | -173.6 | -157.5 | 31 | 0 | 0 | 0 | 115.1 | D917 E930 G955 | D917-N957 HydrophobicContact CB-CB 3.93Å; D917-N957 VanDerWaalsContact CB-ND2 3.26Å; D917-N957 WeakPolarHBondContact CB-ND2 3.18Å; D917-N957 WeakPolarHBondContact CB-OD1 3.41Å; D917-N957 WeakPolarHBondContact O-CB 3.04Å; E930-N957 WeakPolarHBondContact OE1-CA 3.42Å; G955-N957 PolarHBondContact O-N 2.84Å |
| 958 | S | 52.3 | Low | 55.9 | Low | 59 Ų | 59 | 90.7 Ų | 90.7 | 41% | 0.413 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -153.2 | 133.4 | -175.6 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | G955 I956 | G955-S958 CarbonylContact C-O 3.6Å; G955-S958 WeakPolarHBondContact CA-O 3.47Å; G955-S958 PolarHBondContact N-O 3.17Å; G955-S958 PolarHBondContact O-N 2.02Å; I956-S958 VanDerWaalsContact C-N 3.31Å; I956-S958 PolarHBondContact O-N 3.48Å |
| 959 | Y | 61.6 | Low | 56.8 | Low | 79 Ų | 79 | 83.1 Ų | 83.1 | 31% | 0.31 | 43% | 0.426 | S | S | . | . | trans | -117.9 | 163.1 | 165.7 | 59 | -85.4 | 0 | 0 | 0 | 110.3 | E930 P935 R971 | E930-Y959 HydrophobicContact CB-CD1 3.97Å; P935-Y959 HydrophobicContact CB-CD2 4.29Å; P935-Y959 HydrophobicContact CB-CE1 4.3Å; P935-Y959 HydrophobicContact CB-CE2 3.68Å; P935-Y959 HydrophobicContact CG-CD1 4.33Å; P935-Y959 HydrophobicContact CG-CD2 3.65Å; P935-Y959 HydrophobicContact CG-CE1 4.28Å; P935-Y959 HydrophobicContact CG-CE2 3.57Å; P935-Y959 HydrophobicContact CG-CG 4.04Å; Y959-R971 HydrophobicContact CE2-CG 4.22Å; Y959-R971 WeakPolarHBondContact OH-CD 3.4Å; Y959-R971 WeakPolarHBondContact OH-CG 3.29Å | ||
| 960 | T | 57.9 | Low | 57.9 | Low | 74 Ų | 74 | 77.3 Ų | 77.3 | 45% | 0.454 | 41% | 0.411 | S | S | . | . | trans | -133.8 | 120.7 | 175.7 | -45.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 961 | C | 61.5 | Low | 59.1 | Low | 17 Ų | 17 | 73.5 Ų | 73.5 | 12% | 0.115 | 40% | 0.397 | C | S | . | . | trans | -90.1 | 154.1 | 176.5 | -64 | 0 | 0 | 0 | 0 | 111.9 | C936 | C936-C961 VanDerWaalsContact CA-SG 3.57Å; C936-C961 HydrophobicContact CB-CB 3.83Å; C936-C961 WeakPolarHBondContact CB-SG 3.03Å; C936-C961 WeakPolarHBondContact SG-CB 3.28Å; C936-C961 CovalentContact SG-SG 2.03Å; C936-C961 PolarHBondContact SG-SG 3.47Å | ||
| 962 | F | 62.7 | Low | 59.6 | Low | 137 Ų | 137 | 67.8 Ų | 67.8 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | trans | -117.2 | 121.8 | 167.1 | -73.8 | -86.8 | 0 | 0 | 0 | 108.4 | G939 I951 | G939-F962 VanDerWaalsContact CA-O 3.25Å; G939-F962 WeakPolarHBondContact CA-O 3.32Å; I951-F962 HydrophobicContact CG2-CD2 3.82Å; I951-F962 HydrophobicContact CG2-CE2 3.7Å | ||
| 963 | C | 64.3 | Low | 60.4 | Low | 52 Ų | 52 | 69.8 Ų | 69.8 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 149.5 | -170.3 | -52.7 | 0 | 0 | 0 | 0 | 113.3 | W967 C972 | C963-W967 HydrophobicContact CB-CB 4.32Å; C963-W967 VanDerWaalsContact CB-O 3.31Å; C963-W967 WeakPolarHBondContact CB-O 3.48Å; C963-C972 WeakPolarHBondContact CA-SG 3.07Å; C963-C972 HydrophobicContact CB-CB 3.61Å; C963-C972 WeakPolarHBondContact CB-SG 3.05Å; C963-C972 PolarHBondContact N-SG 3.38Å; C963-C972 VanDerWaalsContact N-SG 3.44Å; C963-C972 WeakPolarHBondContact SG-CA 3.28Å; C963-C972 WeakPolarHBondContact SG-CB 3.45Å; C963-C972 CovalentContact SG-SG 2.04Å; C963-C972 PolarHBondContact SG-SG 2.03Å |
| 964 | E | 65.7 | Low | 61 | Low | 65 Ų | 65 | 65.7 Ų | 65.7 | 30% | 0.304 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 163.1 | 165.8 | -66.5 | -174.4 | -135.3 | 0 | 0 | 110.6 | H938 R940 W967 | H938-E964 PolarHBondContact O-N 3.35Å; R940-E964 HydrophobicContact CG-CG 3.94Å; R940-E964 WeakPolarHBondContact CG-OE1 3.49Å; R940-E964 IonicContact CZ-OE1 3.21Å; R940-E964 IonicContact CZ-OE2 2.97Å; R940-E964 IonicContact NE-OE1 3.58Å; R940-E964 PolarHBondContact NE-OE1 3.08Å; R940-E964 IonicContact NE-OE2 2.7Å; R940-E964 PolarHBondContact NE-OE2 3.07Å; R940-E964 IonicContact NH2-OE1 3.84Å; R940-E964 IonicContact NH2-OE2 2.69Å; R940-E964 PolarHBondContact NH2-OE2 3.23Å; E964-W967 PolarHBondContact O-N 3.46Å |
| 965 | T | 66.8 | Low | 61.6 | Low | 103 Ų | 103 | 64.2 Ų | 64.2 | 63% | 0.632 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 144.8 | 177.9 | 52.5 | 0 | 0 | 0 | 0 | 110.7 | W967 D995 | T965-W967 VanDerWaalsContact C-N 3.33Å; T965-D995 WeakPolarHBondContact CB-OD1 3.04Å; T965-D995 VanDerWaalsContact CB-OD2 3.29Å; T965-D995 WeakPolarHBondContact CB-OD2 3.49Å; T965-D995 PolarHBondContact OG1-OD2 3.46Å |
| 966 | G | 61.6 | Low | 62.2 | Low | 6 Ų | 6 | 66.5 Ų | 66.5 | 6% | 0.062 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N975 I976 D995 | G966-N975 WeakPolarHBondContact O-CA 3.46Å; G966-N975 PolarHBondContact O-ND2 3.43Å; G966-I976 PolarHBondContact O-N 2.8Å; G966-D995 PolarHBondContact N-OD1 3.34Å; G966-D995 VanDerWaalsContact N-OD1 3.16Å |
| 967 | W | 65.6 | Low | 62.7 | Low | 40 Ų | 40 | 65 Ų | 65 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.2 | -179.9 | -61.7 | 86.9 | 0 | 0 | 0 | 113.7 | H938 C963 E964 T965 C972 T974 N975 I994 | H938-W967 HydrophobicContact CB-CB 4.2Å; H938-W967 HydrophobicContact CB-CD2 3.62Å; H938-W967 HydrophobicContact CB-CE3 4.2Å; H938-W967 HydrophobicContact CB-CG 3.57Å; H938-W967 AromaticContact CD2-CD2 3.69Å; H938-W967 AromaticContact CD2-CE2 3.7Å; H938-W967 AromaticContact CD2-CE3 3.55Å; H938-W967 AromaticContact CD2-CH2 3.49Å; H938-W967 VanDerWaalsContact CD2-CH2 3.49Å; H938-W967 WeakPolarHBondContact CD2-CH2 3.22Å; H938-W967 AromaticContact CD2-CZ2 3.61Å; H938-W967 AromaticContact CD2-CZ3 3.46Å; H938-W967 VanDerWaalsContact CD2-CZ3 3.46Å; H938-W967 WeakPolarHBondContact CD2-CZ3 3.49Å; H938-W967 AromaticContact CE1-CZ2 3.84Å; H938-W967 AromaticContact CG-CD2 3.67Å; H938-W967 AromaticContact CG-CE2 3.53Å; H938-W967 AromaticContact CG-CZ2 3.79Å; H938-W967 AromaticContact CG-NE1 3.91Å; H938-W967 AromaticContact ND1-CE2 3.93Å; H938-W967 AromaticContact ND1-CZ2 3.92Å; H938-W967 AromaticContact NE2-CH2 3.5Å; H938-W967 WeakPolarHBondContact NE2-CH2 3.35Å; H938-W967 AromaticContact NE2-CZ2 3.68Å; H938-W967 AromaticContact NE2-CZ3 3.89Å; C963-W967 HydrophobicContact CB-CB 4.32Å; C963-W967 VanDerWaalsContact CB-O 3.31Å; C963-W967 WeakPolarHBondContact CB-O 3.48Å; E964-W967 PolarHBondContact O-N 3.46Å; T965-W967 VanDerWaalsContact C-N 3.33Å; W967-C972 HydrophobicContact CB-CB 4.43Å; W967-T974 CarbonylContact C-O 3.43Å; W967-T974 WeakPolarHBondContact CA-O 3.27Å; W967-N975 HydrophobicContact CE3-CB 4.16Å; W967-N975 HydrophobicContact CH2-CB 4.15Å; W967-N975 HydrophobicContact CZ3-CB 3.92Å; W967-I994 HydrophobicContact CH2-CD1 4.47Å; W967-I994 HydrophobicContact CH2-CG1 4.48Å; W967-I994 HydrophobicContact CZ2-CD1 3.76Å; W967-I994 HydrophobicContact CZ2-CG1 3.76Å; W967-I994 HydrophobicContact CZ2-CG2 4.01Å |
| 968 | I | 64.6 | Low | 63.6 | Low | 100 Ų | 100 | 62.9 Ų | 62.9 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 175.2 | 177.6 | -162.1 | 163.2 | 0 | 0 | 0 | 109.6 | E973 T974 I976 | I968-E973 PolarHBondContact O-N 3.18Å; I968-T974 HydrophobicContact CG2-CG2 4.11Å; I968-T974 PolarHBondContact N-O 2.9Å; I968-T974 WeakPolarHBondContact O-CB 3.4Å; I968-T974 PolarHBondContact O-N 2.06Å; I968-I976 HydrophobicContact CB-CD1 4.33Å; I968-I976 HydrophobicContact CB-CG1 3.93Å; I968-I976 HydrophobicContact CG2-CG1 3.9Å |
| 969 | G | 58.8 | Low | 64.5 | Low | 35 Ų | 35 | 60.9 Ų | 60.9 | 36% | 0.361 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 104.2 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R971 C972 E973 | G969-R971 VanDerWaalsContact C-N 3.28Å; G969-R971 PolarHBondContact O-N 2.82Å; G969-C972 PolarHBondContact O-N 2.04Å; G969-E973 VanDerWaalsContact CA-OE2 3.22Å; G969-E973 WeakPolarHBondContact CA-OE2 3.05Å |
| 970 | S | 60.3 | Low | 65 | Low | 83 Ų | 83 | 60.3 Ų | 60.3 | 58% | 0.58 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -26.8 | -171.6 | 65.8 | 0 | 0 | 0 | 0 | 114 | E973 | S970-E973 PolarHBondContact N-OE1 2.85Å; S970-E973 VanDerWaalsContact N-OE1 3.14Å; S970-E973 PolarHBondContact N-OE2 2.97Å; S970-E973 PolarHBondContact OG-OE1 2.77Å |
| 971 | R | 65.7 | Low | 65.6 | Low | 90 Ų | 90 | 64.5 Ų | 64.5 | 34% | 0.34 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 8.7 | 178.2 | -48.8 | -156.7 | -40.4 | -80 | -3.9 | 112.9 | P935 C936 L937 Y959 G969 E973 | P935-R971 WeakPolarHBondContact O-CB 2.93Å; P935-R971 WeakPolarHBondContact O-CD 3.08Å; P935-R971 PolarHBondContact O-NE 3.45Å; C936-R971 CarbonylContact C-O 3.45Å; C936-R971 WeakPolarHBondContact CA-O 3.12Å; L937-R971 PolarHBondContact N-O 3.45Å; Y959-R971 HydrophobicContact CE2-CG 4.22Å; Y959-R971 WeakPolarHBondContact OH-CD 3.4Å; Y959-R971 WeakPolarHBondContact OH-CG 3.29Å; G969-R971 VanDerWaalsContact C-N 3.28Å; G969-R971 PolarHBondContact O-N 2.82Å; R971-E973 VanDerWaalsContact C-OE2 3.31Å; R971-E973 WeakPolarHBondContact CA-OE2 3.13Å; R971-E973 HydrophobicContact CB-CB 4.48Å; R971-E973 PolarHBondContact N-OE2 3.12Å |
| 972 | C | 65.7 | Low | 65.8 | Low | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 60.3 | 48.5 | -170.4 | -44 | 0 | 0 | 0 | 0 | 111.6 | H938 C963 W967 G969 | H938-C972 HydrophobicContact CB-CB 4.38Å; H938-C972 PolarHBondContact N-O 2.93Å; H938-C972 WeakPolarHBondContact O-CB 3.32Å; C963-C972 WeakPolarHBondContact CA-SG 3.07Å; C963-C972 HydrophobicContact CB-CB 3.61Å; C963-C972 WeakPolarHBondContact CB-SG 3.05Å; C963-C972 PolarHBondContact N-SG 3.38Å; C963-C972 VanDerWaalsContact N-SG 3.44Å; C963-C972 WeakPolarHBondContact SG-CA 3.28Å; C963-C972 WeakPolarHBondContact SG-CB 3.45Å; C963-C972 CovalentContact SG-SG 2.04Å; C963-C972 PolarHBondContact SG-SG 2.03Å; W967-C972 HydrophobicContact CB-CB 4.43Å; G969-C972 PolarHBondContact O-N 2.04Å |
| 973 | E | 64.2 | Low | 66.5 | Low | 61 Ų | 61 | 64.7 Ų | 64.7 | 29% | 0.285 | 37% | 0.368 | S | S | . | . | trans | -100.3 | -19.5 | -173.1 | 69.1 | -83 | -140.1 | 0 | 0 | 113.6 | L937 I968 G969 S970 R971 | L937-E973 HydrophobicContact CD1-CB 3.99Å; I968-E973 PolarHBondContact O-N 3.18Å; G969-E973 VanDerWaalsContact CA-OE2 3.22Å; G969-E973 WeakPolarHBondContact CA-OE2 3.05Å; S970-E973 PolarHBondContact N-OE1 2.85Å; S970-E973 VanDerWaalsContact N-OE1 3.14Å; S970-E973 PolarHBondContact N-OE2 2.97Å; S970-E973 PolarHBondContact OG-OE1 2.77Å; R971-E973 VanDerWaalsContact C-OE2 3.31Å; R971-E973 WeakPolarHBondContact CA-OE2 3.13Å; R971-E973 HydrophobicContact CB-CB 4.48Å; R971-E973 PolarHBondContact N-OE2 3.12Å | ||
| 974 | T | 64.9 | Low | 67.2 | Low | 72 Ų | 72 | 62.9 Ų | 62.9 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.1 | -175.3 | -50.6 | 0 | 0 | 0 | 0 | 109.6 | W967 I968 | W967-T974 CarbonylContact C-O 3.43Å; W967-T974 WeakPolarHBondContact CA-O 3.27Å; I968-T974 HydrophobicContact CG2-CG2 4.11Å; I968-T974 PolarHBondContact N-O 2.9Å; I968-T974 WeakPolarHBondContact O-CB 3.4Å; I968-T974 PolarHBondContact O-N 2.06Å |
| 975 | N | 61.9 | Low | 67.8 | Low | 40 Ų | 40 | 64.1 Ų | 64.1 | 21% | 0.214 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138 | 170.2 | -175.8 | -154.6 | 0 | 0 | 0 | 108.9 | G966 W967 D977 | G966-N975 WeakPolarHBondContact O-CA 3.46Å; G966-N975 PolarHBondContact O-ND2 3.43Å; W967-N975 HydrophobicContact CE3-CB 4.16Å; W967-N975 HydrophobicContact CH2-CB 4.15Å; W967-N975 HydrophobicContact CZ3-CB 3.92Å; N975-D977 PolarHBondContact O-N 3.34Å |
| 976 | I | 68.3 | Low | 68.1 | Low | 69 Ų | 69 | 62.8 Ų | 62.8 | 35% | 0.354 | 35% | 0.353 | S | S | . | . | trans | -75.3 | 118.2 | 176.9 | -64.3 | 172.7 | 0 | 0 | 0 | 107.5 | G966 I968 D978 | G966-I976 PolarHBondContact O-N 2.8Å; I968-I976 HydrophobicContact CB-CD1 4.33Å; I968-I976 HydrophobicContact CB-CG1 3.93Å; I968-I976 HydrophobicContact CG2-CG1 3.9Å; I976-D978 PolarHBondContact O-N 3.39Å | ||
| 977 | D | 68.3 | Low | 68.5 | Low | 87 Ų | 87 | 65.2 Ų | 65.2 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | trans | -66.5 | 96 | 178.5 | -179.8 | -8.9 | 0 | 0 | 0 | 110.6 | N975 C979 A980 | N975-D977 PolarHBondContact O-N 3.34Å; D977-C979 PolarHBondContact O-N 3.32Å; D977-C979 VanDerWaalsContact OD1-CA 3.28Å; D977-C979 WeakPolarHBondContact OD1-CA 3.45Å; D977-C979 VanDerWaalsContact OD1-CB 3.22Å; D977-C979 WeakPolarHBondContact OD1-CB 3.38Å; D977-C979 PolarHBondContact OD1-N 2.9Å; D977-A980 HydrophobicContact CB-CB 4.36Å; D977-A980 WeakPolarHBondContact O-CB 3.41Å; D977-A980 PolarHBondContact O-N 3.48Å; D977-A980 PolarHBondContact OD1-N 3.41Å; D977-A980 VanDerWaalsContact OD1-N 3.08Å | ||
| 978 | D | 74 | Confident | 69 | Low | 51 Ų | 51 | 63.8 Ų | 63.8 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -10.5 | 179.5 | -80.5 | -51.6 | 0 | 0 | 0 | 112 | I976 D992 K996 Y997 | I976-D978 PolarHBondContact O-N 3.39Å; D978-D992 PolarHBondContact N-OD1 3.2Å; D978-K996 WeakPolarHBondContact OD2-CA 3.39Å; D978-K996 PolarHBondContact OD2-N 2.88Å; D978-Y997 HydrophobicContact CB-CD1 4.24Å |
| 979 | C | 70.4 | Confident | 69.7 | Low | 17 Ų | 17 | 62.7 Ų | 62.7 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -13.1 | 176 | -73.4 | 0 | 0 | 0 | 0 | 114.3 | D977 L981 N982 C990 V991 D992 | D977-C979 PolarHBondContact O-N 3.32Å; D977-C979 VanDerWaalsContact OD1-CA 3.28Å; D977-C979 WeakPolarHBondContact OD1-CA 3.45Å; D977-C979 VanDerWaalsContact OD1-CB 3.22Å; D977-C979 WeakPolarHBondContact OD1-CB 3.38Å; D977-C979 PolarHBondContact OD1-N 2.9Å; C979-L981 PolarHBondContact O-N 3.01Å; C979-N982 PolarHBondContact O-N 3.06Å; C979-C990 WeakPolarHBondContact CA-SG 2.99Å; C979-C990 HydrophobicContact CB-CB 3.66Å; C979-C990 WeakPolarHBondContact CB-SG 3.19Å; C979-C990 WeakPolarHBondContact SG-CB 3.32Å; C979-C990 CovalentContact SG-SG 2.03Å; C979-C990 PolarHBondContact SG-SG 3.04Å; C979-V991 PolarHBondContact SG-N 2.87Å; C979-V991 VanDerWaalsContact SG-N 3.44Å; C979-D992 PolarHBondContact SG-N 2.99Å; C979-D992 VanDerWaalsContact SG-N 3.35Å |
| 980 | A | 71.1 | Confident | 70.7 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 55% | 0.554 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D977 | D977-A980 HydrophobicContact CB-CB 4.36Å; D977-A980 WeakPolarHBondContact O-CB 3.41Å; D977-A980 PolarHBondContact O-N 3.48Å; D977-A980 PolarHBondContact OD1-N 3.41Å; D977-A980 VanDerWaalsContact OD1-N 3.08Å |
| 981 | L | 70.6 | Confident | 71.5 | Confident | 162 Ų | 162 | 62.1 Ų | 62.1 | 85% | 0.848 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 7 | 176.2 | -68 | 175.8 | 0 | 0 | 0 | 114.4 | C979 | C979-L981 PolarHBondContact O-N 3.01Š|
| 982 | N | 66.4 | Low | 71.8 | Confident | 131 Ų | 131 | 60.3 Ų | 60.3 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | trans | 51.7 | 58.9 | -176.2 | -57.6 | -81.6 | 0 | 0 | 0 | 113.6 | C979 C984 | C979-N982 PolarHBondContact O-N 3.06Å; N982-C984 PolarHBondContact O-N 2.8Å | ||
| 983 | P | 77.2 | Confident | 71.7 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | trans | -71.2 | -11.6 | -175.5 | 30.9 | -37 | 0 | 0 | 0 | 114.4 | Y997 T1009 | P983-Y997 HydrophobicContact CB-CD1 4.22Å; P983-Y997 HydrophobicContact CB-CD2 4.06Å; P983-Y997 HydrophobicContact CB-CE1 3.83Å; P983-Y997 HydrophobicContact CB-CE2 3.68Å; P983-Y997 HydrophobicContact CB-CG 4.33Å; P983-Y997 HydrophobicContact CG-CD1 3.84Å; P983-Y997 HydrophobicContact CG-CD2 3.61Å; P983-Y997 HydrophobicContact CG-CE1 4Å; P983-Y997 HydrophobicContact CG-CE2 3.79Å; P983-Y997 HydrophobicContact CG-CG 3.66Å; P983-T1009 WeakPolarHBondContact O-CB 3.5Å; P983-T1009 WeakPolarHBondContact O-CG2 3.07Å | ||
| 984 | C | 79.8 | Confident | 71.8 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 10% | 0.101 | 39% | 0.388 | C | S | . | . | trans | -88.6 | 120.7 | 177.6 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | N982 G988 C990 C999 | N982-C984 PolarHBondContact O-N 2.8Å; C984-G988 VanDerWaalsContact CB-O 3.26Å; C984-G988 WeakPolarHBondContact CB-O 3.04Å; C984-C990 HydrophobicContact CB-CB 4.41Å; C984-C990 WeakPolarHBondContact SG-CA 3.31Å; C984-C990 WeakPolarHBondContact SG-CB 3.45Å; C984-C990 VanDerWaalsContact SG-SG 3.61Å; C984-C999 WeakPolarHBondContact CA-SG 3.32Å; C984-C999 HydrophobicContact CB-CB 3.77Å; C984-C999 WeakPolarHBondContact CB-SG 3.09Å; C984-C999 WeakPolarHBondContact SG-CA 3.38Å; C984-C999 WeakPolarHBondContact SG-CB 2.99Å; C984-C999 CovalentContact SG-SG 2.03Å; C984-C999 PolarHBondContact SG-SG 3.23Å | ||
| 985 | L | 77.7 | Confident | 71.7 | Confident | 91 Ų | 91 | 66 Ų | 66 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | trans | -86.7 | 173.1 | -178.7 | -56.2 | 178.3 | 0 | 0 | 0 | 111.3 | G987 G988 T1009 C1010 E1011 | L985-G987 PolarHBondContact O-N 2.77Å; L985-G988 PolarHBondContact O-N 3.12Å; L985-T1009 WeakPolarHBondContact CB-O 3.04Å; L985-T1009 PolarHBondContact N-O 3.18Å; L985-C1010 WeakPolarHBondContact O-CB 3.02Å; L985-E1011 HydrophobicContact CD1-CB 4.11Å | ||
| 986 | N | 72.4 | Confident | 72 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 40% | 0.401 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 29.9 | 173.6 | -57.7 | -31.5 | 0 | 0 | 0 | 115 | G988 F1005 C1010 | N986-G988 VanDerWaalsContact C-N 3.34Å; N986-F1005 HydrophobicContact CB-CD1 3.86Å; N986-F1005 HydrophobicContact CB-CD2 4.22Å; N986-F1005 HydrophobicContact CB-CE1 3.86Å; N986-F1005 HydrophobicContact CB-CE2 4.21Å; N986-F1005 HydrophobicContact CB-CG 4.04Å; N986-F1005 HydrophobicContact CB-CZ 4.03Å; N986-C1010 PolarHBondContact ND2-O 3.33Å |
| 987 | G | 70.4 | Confident | 72.4 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 58% | 0.577 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 12 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L985 L1002 | L985-G987 PolarHBondContact O-N 2.77Å; G987-L1002 WeakPolarHBondContact O-CD1 3.19Å |
| 988 | G | 76.3 | Confident | 72.7 | Confident | 11 Ų | 11 | 68.8 Ų | 68.8 | 11% | 0.113 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 141.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C984 L985 N986 F1000 | C984-G988 VanDerWaalsContact CB-O 3.26Å; C984-G988 WeakPolarHBondContact CB-O 3.04Å; L985-G988 PolarHBondContact O-N 3.12Å; N986-G988 VanDerWaalsContact C-N 3.34Å; G988-F1000 CarbonylContact C-O 3.56Å; G988-F1000 VanDerWaalsContact CA-O 3.25Å; G988-F1000 WeakPolarHBondContact CA-O 3.41Å |
| 989 | S | 79.3 | Confident | 73 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 54% | 0.538 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.4 | 179.2 | -65.7 | 0 | 0 | 0 | 0 | 110.8 | F1000 | S989-F1000 PolarHBondContact N-O 3.22Å; S989-F1000 PolarHBondContact O-N 3.32Å |
| 990 | C | 80.6 | Confident | 73.3 | Confident | 38 Ų | 38 | 72.8 Ų | 72.8 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.4 | 174.1 | -161 | 0 | 0 | 0 | 0 | 111 | C979 C984 | C979-C990 WeakPolarHBondContact CA-SG 2.99Å; C979-C990 HydrophobicContact CB-CB 3.66Å; C979-C990 WeakPolarHBondContact CB-SG 3.19Å; C979-C990 WeakPolarHBondContact SG-CB 3.32Å; C979-C990 CovalentContact SG-SG 2.03Å; C979-C990 PolarHBondContact SG-SG 3.04Å; C984-C990 HydrophobicContact CB-CB 4.41Å; C984-C990 WeakPolarHBondContact SG-CA 3.31Å; C984-C990 WeakPolarHBondContact SG-CB 3.45Å; C984-C990 VanDerWaalsContact SG-SG 3.61Å |
| 991 | V | 77.1 | Confident | 73.6 | Confident | 67 Ų | 67 | 71.7 Ų | 71.7 | 41% | 0.406 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.3 | 168.4 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | C979 A998 F1000 | C979-V991 PolarHBondContact SG-N 2.87Å; C979-V991 VanDerWaalsContact SG-N 3.44Å; V991-A998 PolarHBondContact N-O 3.15Å; V991-A998 PolarHBondContact O-N 3.08Å; V991-F1000 HydrophobicContact CB-CD2 4.35Å; V991-F1000 HydrophobicContact CB-CE2 3.92Å; V991-F1000 HydrophobicContact CG2-CD2 3.71Å; V991-F1000 HydrophobicContact CG2-CE2 3.53Å |
| 992 | D | 70.9 | Confident | 73.5 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140.9 | 179.7 | -173.5 | 39.1 | 0 | 0 | 0 | 111 | D978 C979 | D978-D992 PolarHBondContact N-OD1 3.2Å; C979-D992 PolarHBondContact SG-N 2.99Å; C979-D992 VanDerWaalsContact SG-N 3.35Å |
| 993 | L | 64 | Low | 73.8 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 39% | 0.387 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 166.9 | 176.7 | -55.1 | 164.7 | 0 | 0 | 0 | 108.6 | D995 K996 A998 | L993-D995 PolarHBondContact O-N 3.39Å; L993-K996 CarbonylContact C-O 3.55Å; L993-K996 VanDerWaalsContact C-O 3.24Å; L993-K996 WeakPolarHBondContact CA-O 3.3Å; L993-K996 HydrophobicContact CB-CG 3.88Å; L993-K996 VanDerWaalsContact CB-O 3.22Å; L993-K996 WeakPolarHBondContact CB-O 3.33Å; L993-K996 HydrophobicContact CD1-CG 4.29Å; L993-K996 PolarHBondContact N-O 3.14Å; L993-K996 VanDerWaalsContact N-O 3.12Å; L993-A998 HydrophobicContact CD1-CB 3.75Å |
| 994 | I | 65.9 | Low | 73.3 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 113.6 | -177.8 | -58 | 158.6 | 0 | 0 | 0 | 110.8 | W967 K996 | W967-I994 HydrophobicContact CH2-CD1 4.47Å; W967-I994 HydrophobicContact CH2-CG1 4.48Å; W967-I994 HydrophobicContact CZ2-CD1 3.76Å; W967-I994 HydrophobicContact CZ2-CG1 3.76Å; W967-I994 HydrophobicContact CZ2-CG2 4.01Å; I994-K996 VanDerWaalsContact C-N 3.33Å; I994-K996 PolarHBondContact O-N 2.83Å |
| 995 | D | 63.8 | Low | 73.2 | Confident | 86 Ų | 86 | 69.2 Ų | 69.2 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 31.1 | 175.6 | -152.2 | 31.8 | 0 | 0 | 0 | 113.4 | T965 G966 L993 | T965-D995 WeakPolarHBondContact CB-OD1 3.04Å; T965-D995 VanDerWaalsContact CB-OD2 3.29Å; T965-D995 WeakPolarHBondContact CB-OD2 3.49Å; T965-D995 PolarHBondContact OG1-OD2 3.46Å; G966-D995 PolarHBondContact N-OD1 3.34Å; G966-D995 VanDerWaalsContact N-OD1 3.16Å; L993-D995 PolarHBondContact O-N 3.39Å |
| 996 | K | 68.6 | Low | 73 | Confident | 130 Ų | 130 | 68.4 Ų | 68.4 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 157.2 | 179.2 | 63.2 | -152.7 | 167.1 | -170.2 | 0 | 111 | D978 L993 I994 | D978-K996 WeakPolarHBondContact OD2-CA 3.39Å; D978-K996 PolarHBondContact OD2-N 2.88Å; L993-K996 CarbonylContact C-O 3.55Å; L993-K996 VanDerWaalsContact C-O 3.24Å; L993-K996 WeakPolarHBondContact CA-O 3.3Å; L993-K996 HydrophobicContact CB-CG 3.88Å; L993-K996 VanDerWaalsContact CB-O 3.22Å; L993-K996 WeakPolarHBondContact CB-O 3.33Å; L993-K996 HydrophobicContact CD1-CG 4.29Å; L993-K996 PolarHBondContact N-O 3.14Å; L993-K996 VanDerWaalsContact N-O 3.12Å; I994-K996 VanDerWaalsContact C-N 3.33Å; I994-K996 PolarHBondContact O-N 2.83Å |
| 997 | Y | 76.1 | Confident | 72.8 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 163.3 | 168.1 | 59.3 | -90.5 | 0 | 0 | 0 | 112.3 | D978 P983 T1009 | D978-Y997 HydrophobicContact CB-CD1 4.24Å; P983-Y997 HydrophobicContact CB-CD1 4.22Å; P983-Y997 HydrophobicContact CB-CD2 4.06Å; P983-Y997 HydrophobicContact CB-CE1 3.83Å; P983-Y997 HydrophobicContact CB-CE2 3.68Å; P983-Y997 HydrophobicContact CB-CG 4.33Å; P983-Y997 HydrophobicContact CG-CD1 3.84Å; P983-Y997 HydrophobicContact CG-CD2 3.61Å; P983-Y997 HydrophobicContact CG-CE1 4Å; P983-Y997 HydrophobicContact CG-CE2 3.79Å; P983-Y997 HydrophobicContact CG-CG 3.66Å; Y997-T1009 HydrophobicContact CE2-CG2 3.86Å; Y997-T1009 WeakPolarHBondContact OH-CG2 3.32Å |
| 998 | A | 73.7 | Confident | 72.9 | Confident | 32 Ų | 32 | 72.4 Ų | 72.4 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 133.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V991 L993 | V991-A998 PolarHBondContact N-O 3.15Å; V991-A998 PolarHBondContact O-N 3.08Å; L993-A998 HydrophobicContact CD1-CB 3.75Å |
| 999 | C | 80.5 | Confident | 73 | Confident | 22 Ų | 22 | 73.3 Ų | 73.3 | 15% | 0.149 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.8 | 178 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | C984 K1008 | C984-C999 WeakPolarHBondContact CA-SG 3.32Å; C984-C999 HydrophobicContact CB-CB 3.77Å; C984-C999 WeakPolarHBondContact CB-SG 3.09Å; C984-C999 WeakPolarHBondContact SG-CA 3.38Å; C984-C999 WeakPolarHBondContact SG-CB 2.99Å; C984-C999 CovalentContact SG-SG 2.03Å; C984-C999 PolarHBondContact SG-SG 3.23Å; C999-K1008 WeakPolarHBondContact CB-O 3.18Å |
| 1000 | F | 77.3 | Confident | 72.9 | Confident | 130 Ų | 130 | 69.7 Ų | 69.7 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 109.4 | 169.6 | -68.9 | -89.8 | 0 | 0 | 0 | 109.2 | G988 S989 V991 | G988-F1000 CarbonylContact C-O 3.56Å; G988-F1000 VanDerWaalsContact CA-O 3.25Å; G988-F1000 WeakPolarHBondContact CA-O 3.41Å; S989-F1000 PolarHBondContact N-O 3.22Å; S989-F1000 PolarHBondContact O-N 3.32Å; V991-F1000 HydrophobicContact CB-CD2 4.35Å; V991-F1000 HydrophobicContact CB-CE2 3.92Å; V991-F1000 HydrophobicContact CG2-CD2 3.71Å; V991-F1000 HydrophobicContact CG2-CE2 3.53Å |
| 1001 | C | 76.8 | Confident | 72.7 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 29% | 0.291 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 145.7 | -175.2 | -50.2 | 0 | 0 | 0 | 0 | 112.1 | F1005 C1010 | C1001-F1005 HydrophobicContact CB-CB 4.2Å; C1001-F1005 VanDerWaalsContact CB-O 3.31Å; C1001-F1005 WeakPolarHBondContact CB-O 3.47Å; C1001-C1010 WeakPolarHBondContact CA-SG 3.19Å; C1001-C1010 HydrophobicContact CB-CB 3.74Å; C1001-C1010 WeakPolarHBondContact CB-SG 3.41Å; C1001-C1010 PolarHBondContact N-SG 3.11Å; C1001-C1010 WeakPolarHBondContact SG-CA 3.35Å; C1001-C1010 WeakPolarHBondContact SG-CB 3Å; C1001-C1010 CovalentContact SG-SG 2.04Å; C1001-C1010 PolarHBondContact SG-SG 2.9Å |
| 1002 | L | 69.7 | Low | 72.7 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 154.5 | 170.4 | -69.3 | 168.1 | 0 | 0 | 0 | 110.5 | G987 G1004 F1005 | G987-L1002 WeakPolarHBondContact O-CD1 3.19Å; L1002-G1004 PolarHBondContact O-N 3.05Å; L1002-F1005 PolarHBondContact O-N 3.5Å |
| 1003 | D | 71.9 | Confident | 72.7 | Confident | 143 Ų | 143 | 73 Ų | 73 | 77% | 0.765 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 121 | -177.8 | -69.2 | -39.7 | 0 | 0 | 0 | 111.8 | S1039 | D1003-S1039 WeakPolarHBondContact O-CB 3.37Å; D1003-S1039 PolarHBondContact O-N 2.72Å; D1003-S1039 PolarHBondContact O-OG 3.39Å |
| 1004 | G | 67.6 | Low | 73 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 12% | 0.124 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 105.6 | -10 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | L1002 I1014 | L1002-G1004 PolarHBondContact O-N 3.05Å; G1004-I1014 VanDerWaalsContact O-CB 3.28Å; G1004-I1014 WeakPolarHBondContact O-CB 3.21Å; G1004-I1014 VanDerWaalsContact O-CG1 3.26Å; G1004-I1014 WeakPolarHBondContact O-CG1 3.01Å; G1004-I1014 PolarHBondContact O-N 3.26Å |
| 1005 | F | 76.4 | Confident | 73.2 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 149 | 176.6 | -63.4 | -79.3 | 0 | 0 | 0 | 112.9 | N986 C1001 L1002 C1010 N1012 D1013 E1037 G1038 | N986-F1005 HydrophobicContact CB-CD1 3.86Å; N986-F1005 HydrophobicContact CB-CD2 4.22Å; N986-F1005 HydrophobicContact CB-CE1 3.86Å; N986-F1005 HydrophobicContact CB-CE2 4.21Å; N986-F1005 HydrophobicContact CB-CG 4.04Å; N986-F1005 HydrophobicContact CB-CZ 4.03Å; C1001-F1005 HydrophobicContact CB-CB 4.2Å; C1001-F1005 VanDerWaalsContact CB-O 3.31Å; C1001-F1005 WeakPolarHBondContact CB-O 3.47Å; L1002-F1005 PolarHBondContact O-N 3.5Å; F1005-C1010 HydrophobicContact CB-CB 4.48Å; F1005-N1012 CarbonylContact C-O 3.54Å; F1005-N1012 WeakPolarHBondContact CA-O 3.35Å; F1005-D1013 HydrophobicContact CD1-CB 4.46Å; F1005-D1013 HydrophobicContact CE1-CB 4.32Å; F1005-D1013 VanDerWaalsContact CE1-OD1 3.29Å; F1005-D1013 WeakPolarHBondContact CE1-OD1 3.37Å; F1005-E1037 HydrophobicContact CZ-CG 4.13Å; F1005-G1038 VanDerWaalsContact CE2-CA 3.45Å; F1005-G1038 VanDerWaalsContact CZ-CA 3.48Å |
| 1006 | T | 73.3 | Confident | 73.5 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 45% | 0.454 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 172.4 | -179.6 | -165.3 | 0 | 0 | 0 | 0 | 112.3 | C1010 E1011 N1012 I1014 | T1006-C1010 CarbonylContact O-C 3.38Å; T1006-E1011 PolarHBondContact O-N 2.79Å; T1006-N1012 HydrophobicContact CG2-CB 3.94Å; T1006-N1012 PolarHBondContact N-O 3.13Å; T1006-N1012 WeakPolarHBondContact O-CA 3.34Å; T1006-N1012 WeakPolarHBondContact O-CB 3.12Å; T1006-N1012 PolarHBondContact O-N 3.45Å; T1006-N1012 PolarHBondContact O-ND2 3.5Å; T1006-I1014 HydrophobicContact CG2-CD1 4.29Å; T1006-I1014 HydrophobicContact CG2-CG1 3.78Å |
| 1007 | G | 68.9 | Low | 73.5 | Confident | 31 Ų | 31 | 63 Ų | 63 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 108.4 | 179.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113 | E1011 N1012 | G1007-E1011 VanDerWaalsContact C-OE2 3.28Å; G1007-E1011 WeakPolarHBondContact CA-OE1 3.44Å; G1007-E1011 WeakPolarHBondContact CA-OE2 3.27Å; G1007-N1012 VanDerWaalsContact CA-ND2 3.31Å; G1007-N1012 WeakPolarHBondContact CA-ND2 2.98Å |
| 1008 | K | 71.4 | Confident | 73.1 | Confident | 185 Ų | 185 | 67.8 Ų | 67.8 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -80.8 | -24.4 | -175.8 | -72.5 | -170.7 | 175.9 | -173.5 | 0 | 113.4 | C999 E1011 | C999-K1008 WeakPolarHBondContact CB-O 3.18Å; K1008-E1011 PolarHBondContact N-OE1 2.04Å; K1008-E1011 PolarHBondContact N-OE2 2.78Å |
| 1009 | T | 78.4 | Confident | 72.8 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -120.7 | 19.2 | 177 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | P983 L985 Y997 E1011 | P983-T1009 WeakPolarHBondContact O-CB 3.5Å; P983-T1009 WeakPolarHBondContact O-CG2 3.07Å; L985-T1009 WeakPolarHBondContact CB-O 3.04Å; L985-T1009 PolarHBondContact N-O 3.18Å; Y997-T1009 HydrophobicContact CE2-CG2 3.86Å; Y997-T1009 WeakPolarHBondContact OH-CG2 3.32Å; T1009-E1011 WeakPolarHBondContact CA-OE2 3.46Å; T1009-E1011 PolarHBondContact N-OE2 3.13Å; T1009-E1011 PolarHBondContact O-N 2.97Å; T1009-E1011 PolarHBondContact OG1-OE2 3.31Å; T1009-E1011 VanDerWaalsContact OG1-OE2 3.05Å |
| 1010 | C | 77.3 | Confident | 71.6 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 59.1 | 30.4 | -175.2 | -50.1 | 0 | 0 | 0 | 0 | 113.9 | L985 N986 C1001 F1005 T1006 | L985-C1010 WeakPolarHBondContact O-CB 3.02Å; N986-C1010 PolarHBondContact ND2-O 3.33Å; C1001-C1010 WeakPolarHBondContact CA-SG 3.19Å; C1001-C1010 HydrophobicContact CB-CB 3.74Å; C1001-C1010 WeakPolarHBondContact CB-SG 3.41Å; C1001-C1010 PolarHBondContact N-SG 3.11Å; C1001-C1010 WeakPolarHBondContact SG-CA 3.35Å; C1001-C1010 WeakPolarHBondContact SG-CB 3Å; C1001-C1010 CovalentContact SG-SG 2.04Å; C1001-C1010 PolarHBondContact SG-SG 2.9Å; F1005-C1010 HydrophobicContact CB-CB 4.48Å; T1006-C1010 CarbonylContact O-C 3.38Å |
| 1011 | E | 77.6 | Confident | 70.5 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 38% | 0.379 | 40% | 0.397 | S | S | . | . | trans | -80.5 | -14 | -171.1 | 72.6 | -72.8 | 177.2 | 0 | 0 | 115.1 | L985 T1006 G1007 K1008 T1009 | L985-E1011 HydrophobicContact CD1-CB 4.11Å; T1006-E1011 PolarHBondContact O-N 2.79Å; G1007-E1011 VanDerWaalsContact C-OE2 3.28Å; G1007-E1011 WeakPolarHBondContact CA-OE1 3.44Å; G1007-E1011 WeakPolarHBondContact CA-OE2 3.27Å; K1008-E1011 PolarHBondContact N-OE1 2.04Å; K1008-E1011 PolarHBondContact N-OE2 2.78Å; T1009-E1011 WeakPolarHBondContact CA-OE2 3.46Å; T1009-E1011 PolarHBondContact N-OE2 3.13Å; T1009-E1011 PolarHBondContact O-N 2.97Å; T1009-E1011 PolarHBondContact OG1-OE2 3.31Å; T1009-E1011 VanDerWaalsContact OG1-OE2 3.05Å | ||
| 1012 | N | 76.2 | Confident | 69.5 | Low | 76 Ų | 76 | 76.1 Ų | 76.1 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.8 | -176.4 | -44.7 | -86.4 | 0 | 0 | 0 | 110.9 | F1005 T1006 G1007 | F1005-N1012 CarbonylContact C-O 3.54Å; F1005-N1012 WeakPolarHBondContact CA-O 3.35Å; T1006-N1012 HydrophobicContact CG2-CB 3.94Å; T1006-N1012 PolarHBondContact N-O 3.13Å; T1006-N1012 WeakPolarHBondContact O-CA 3.34Å; T1006-N1012 WeakPolarHBondContact O-CB 3.12Å; T1006-N1012 PolarHBondContact O-N 3.45Å; T1006-N1012 PolarHBondContact O-ND2 3.5Å; G1007-N1012 VanDerWaalsContact CA-ND2 3.31Å; G1007-N1012 WeakPolarHBondContact CA-ND2 2.98Å |
| 1013 | D | 71.9 | Confident | 68.6 | Low | 71 Ų | 71 | 79.2 Ų | 79.2 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 143.2 | 172.4 | -149.1 | 10.5 | 0 | 0 | 0 | 110.1 | F1005 E1037 G1038 | F1005-D1013 HydrophobicContact CD1-CB 4.46Å; F1005-D1013 HydrophobicContact CE1-CB 4.32Å; F1005-D1013 VanDerWaalsContact CE1-OD1 3.29Å; F1005-D1013 WeakPolarHBondContact CE1-OD1 3.37Å; D1013-E1037 WeakPolarHBondContact OD2-CA 3.46Å; D1013-G1038 VanDerWaalsContact OD1-CA 3.28Å; D1013-G1038 WeakPolarHBondContact OD1-CA 3.39Å; D1013-G1038 PolarHBondContact OD1-N 2.86Å |
| 1014 | I | 70.2 | Confident | 68 | Low | 59 Ų | 59 | 77.1 Ų | 77.1 | 30% | 0.303 | 42% | 0.42 | S | S | . | . | trans | -100 | 115.4 | -178.7 | -58.8 | 172.3 | 0 | 0 | 0 | 109.7 | G1004 T1006 V1016 | G1004-I1014 VanDerWaalsContact O-CB 3.28Å; G1004-I1014 WeakPolarHBondContact O-CB 3.21Å; G1004-I1014 VanDerWaalsContact O-CG1 3.26Å; G1004-I1014 WeakPolarHBondContact O-CG1 3.01Å; G1004-I1014 PolarHBondContact O-N 3.26Å; T1006-I1014 HydrophobicContact CG2-CD1 4.29Å; T1006-I1014 HydrophobicContact CG2-CG1 3.78Å; I1014-V1016 VanDerWaalsContact O-CG2 3.3Å; I1014-V1016 WeakPolarHBondContact O-CG2 3.32Å; I1014-V1016 PolarHBondContact O-N 2.87Å | ||
| 1015 | D | 69.2 | Low | 67.8 | Low | 50 Ų | 50 | 80.8 Ų | 80.8 | 27% | 0.267 | 44% | 0.442 | S | S | . | . | trans | -62.3 | 90.9 | 175.3 | -177.8 | -16.5 | 0 | 0 | 0 | 111.2 | C1017 R1018 D1019 D1035 | D1015-C1017 PolarHBondContact O-N 2.9Å; D1015-C1017 PolarHBondContact OD1-N 3.02Å; D1015-R1018 HydrophobicContact CB-CB 4.35Å; D1015-R1018 PolarHBondContact O-N 2.02Å; D1015-R1018 PolarHBondContact OD1-N 3.45Å; D1015-R1018 WeakPolarHBondContact OD2-CD 3.09Å; D1015-R1018 WeakPolarHBondContact OD2-CG 3.34Å; D1015-R1018 IonicContact OD2-CZ 3.48Å; D1015-R1018 IonicContact OD2-NE 3.73Å; D1015-R1018 IonicContact OD2-NH1 3.11Å; D1015-R1018 PolarHBondContact OD2-NH1 3.48Å; D1015-D1019 PolarHBondContact O-N 3.43Å; D1015-D1035 WeakPolarHBondContact CA-OD1 3.01Å; D1015-D1035 WeakPolarHBondContact CA-OD2 3.18Å | ||
| 1016 | V | 70.3 | Confident | 67.5 | Low | 22 Ų | 22 | 81.7 Ų | 81.7 | 13% | 0.133 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -29.6 | -173.8 | -171.9 | 0 | 0 | 0 | 0 | 110.6 | I1014 R1018 L1026 D1035 F1041 | I1014-V1016 VanDerWaalsContact O-CG2 3.3Å; I1014-V1016 WeakPolarHBondContact O-CG2 3.32Å; I1014-V1016 PolarHBondContact O-N 2.87Å; V1016-R1018 PolarHBondContact O-N 2.95Å; V1016-L1026 HydrophobicContact CG1-CD1 4.06Å; V1016-L1026 WeakPolarHBondContact O-CD1 3.49Å; V1016-D1035 PolarHBondContact N-OD1 3.09Å; V1016-F1041 HydrophobicContact CG1-CD1 4.27Å |
| 1017 | C | 68.9 | Low | 67.7 | Low | 39 Ų | 39 | 79 Ų | 79 | 26% | 0.264 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -9.2 | 175.6 | -66 | 0 | 0 | 0 | 0 | 113.8 | D1015 C1033 D1035 | D1015-C1017 PolarHBondContact O-N 2.9Å; D1015-C1017 PolarHBondContact OD1-N 3.02Å; C1017-C1033 VanDerWaalsContact CA-SG 3.57Å; C1017-C1033 HydrophobicContact CB-CB 3.75Å; C1017-C1033 WeakPolarHBondContact CB-SG 3.45Å; C1017-C1033 WeakPolarHBondContact SG-CB 3.18Å; C1017-C1033 CovalentContact SG-SG 2.04Å; C1017-C1033 PolarHBondContact SG-SG 3.07Å; C1017-D1035 PolarHBondContact SG-N 3.15Å; C1017-D1035 VanDerWaalsContact SG-N 3.36Å |
| 1018 | R | 68.6 | Low | 68 | Low | 195 Ų | 195 | 81.8 Ų | 81.8 | 74% | 0.736 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | -11.9 | 180 | -76 | -164.7 | 178.1 | 132.7 | -11.3 | 116 | D1015 V1016 T1020 | D1015-R1018 HydrophobicContact CB-CB 4.35Å; D1015-R1018 PolarHBondContact O-N 2.02Å; D1015-R1018 PolarHBondContact OD1-N 3.45Å; D1015-R1018 WeakPolarHBondContact OD2-CD 3.09Å; D1015-R1018 WeakPolarHBondContact OD2-CG 3.34Å; D1015-R1018 IonicContact OD2-CZ 3.48Å; D1015-R1018 IonicContact OD2-NE 3.73Å; D1015-R1018 IonicContact OD2-NH1 3.11Å; D1015-R1018 PolarHBondContact OD2-NH1 3.48Å; V1016-R1018 PolarHBondContact O-N 2.95Å; R1018-T1020 PolarHBondContact O-N 2.95Å |
| 1019 | D | 65.9 | Low | 68 | Low | 81 Ų | 81 | 77.1 Ų | 77.1 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | trans | -64.1 | 132.8 | 179.1 | -167.6 | 1.1 | 0 | 0 | 0 | 111.1 | D1015 A1021 | D1015-D1019 PolarHBondContact O-N 3.43Å; D1019-A1021 WeakPolarHBondContact OD1-CB 3.29Å; D1019-A1021 PolarHBondContact OD1-N 3.09Å | ||
| 1020 | T | 55.3 | Low | 67.6 | Low | 132 Ų | 132 | 79.1 Ų | 79.1 | 81% | 0.81 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -94.7 | -5.1 | -178.8 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | R1018 | R1018-T1020 PolarHBondContact O-N 2.95Š|
| 1021 | A | 55.5 | Low | 67.5 | Low | 78 Ų | 78 | 80 Ų | 80 | 65% | 0.645 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -71.9 | -32.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1019 N1023 | D1019-A1021 WeakPolarHBondContact OD1-CB 3.29Å; D1019-A1021 PolarHBondContact OD1-N 3.09Å; A1021-N1023 PolarHBondContact O-N 3.27Å |
| 1022 | L | 54 | Low | 67.6 | Low | 112 Ų | 112 | 80.3 Ų | 80.3 | 59% | 0.586 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -90.5 | 91.6 | 175.3 | -75.7 | 163.3 | 0 | 0 | 0 | 110.1 | V1024 | L1022-V1024 PolarHBondContact O-N 3.25Š|
| 1023 | N | 52.6 | Low | 67.8 | Low | 161 Ų | 161 | 78.3 Ų | 78.3 | 86% | 0.861 | 45% | 0.452 | S | S | * | . | trans | -77.3 | 47 | -173.7 | -151.8 | 1.3 | 0 | 0 | 0 | 113.1 | A1021 | A1021-N1023 PolarHBondContact O-N 3.27Š| ||
| 1024 | V | 57.8 | Low | 68.1 | Low | 98 Ų | 98 | 78.8 Ų | 78.8 | 59% | 0.594 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -139.8 | 130.6 | -174.6 | -175 | 0 | 0 | 0 | 0 | 108.8 | L1022 L1026 | L1022-V1024 PolarHBondContact O-N 3.25Å; V1024-L1026 PolarHBondContact O-N 2.04Å |
| 1025 | P | 63.8 | Low | 68.4 | Low | 89 Ų | 89 | 79 Ų | 79 | 58% | 0.578 | 46% | 0.456 | S | S | * | . | trans | -67.6 | 117.6 | 177 | 27.1 | -33.4 | 0 | 0 | 0 | 111.2 | F1028 | P1025-F1028 HydrophobicContact CG-CE1 4.31Š| ||
| 1026 | L | 71.3 | Confident | 68.3 | Low | 51 Ų | 51 | 77.8 Ų | 77.8 | 27% | 0.267 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -71.4 | -28.8 | -177.8 | -68.1 | 168 | 0 | 0 | 0 | 113.8 | V1016 V1024 F1041 | V1016-L1026 HydrophobicContact CG1-CD1 4.06Å; V1016-L1026 WeakPolarHBondContact O-CD1 3.49Å; V1024-L1026 PolarHBondContact O-N 2.04Å; L1026-F1041 HydrophobicContact CB-CD2 4.43Å; L1026-F1041 HydrophobicContact CB-CE2 3.77Å; L1026-F1041 HydrophobicContact CB-CZ 3.92Å; L1026-F1041 HydrophobicContact CD2-CE1 4.04Å; L1026-F1041 HydrophobicContact CD2-CZ 3.84Å; L1026-F1041 HydrophobicContact CG-CZ 4.37Å |
| 1027 | C | 76.3 | Confident | 68.2 | Low | 17 Ų | 17 | 84.2 Ų | 84.2 | 12% | 0.115 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -122.4 | 138.4 | 174.9 | -56.8 | 0 | 0 | 0 | 0 | 110.2 | A1031 C1043 | C1027-A1031 HydrophobicContact CB-CB 3.94Å; C1027-C1043 VanDerWaalsContact CA-SG 3.53Å; C1027-C1043 HydrophobicContact CB-CB 3.77Å; C1027-C1043 WeakPolarHBondContact CB-SG 3.09Å; C1027-C1043 WeakPolarHBondContact SG-CB 3.17Å; C1027-C1043 CovalentContact SG-SG 2.03Å; C1027-C1043 PolarHBondContact SG-SG 2.94Å |
| 1028 | F | 76.1 | Confident | 68.1 | Low | 91 Ų | 91 | 82.5 Ų | 82.5 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | trans | -96.8 | 170.4 | -174.6 | -63.4 | -80.2 | 0 | 0 | 0 | 113 | P1025 G1030 A1031 F1053 E1055 | P1025-F1028 HydrophobicContact CG-CE1 4.31Å; F1028-G1030 PolarHBondContact O-N 2.83Å; F1028-A1031 VanDerWaalsContact O-CB 3.27Å; F1028-A1031 WeakPolarHBondContact O-CB 3.03Å; F1028-A1031 PolarHBondContact O-N 3.48Å; F1028-F1053 HydrophobicContact CD2-CB 3.95Å; F1028-F1053 HydrophobicContact CE2-CB 4.26Å; F1028-F1053 PolarHBondContact N-O 3.49Å; F1028-E1055 HydrophobicContact CB-CB 4.44Å; F1028-E1055 HydrophobicContact CD2-CB 4.12Å; F1028-E1055 HydrophobicContact CG-CB 4.49Å | ||
| 1029 | N | 71.2 | Confident | 68 | Low | 86 Ų | 86 | 76.6 Ų | 76.6 | 46% | 0.46 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 25.4 | 172.3 | -59.4 | -47.7 | 0 | 0 | 0 | 116.4 | F1049 C1054 | N1029-F1049 HydrophobicContact CB-CD1 3.94Å; N1029-F1049 HydrophobicContact CB-CD2 4.24Å; N1029-F1049 HydrophobicContact CB-CE1 3.97Å; N1029-F1049 HydrophobicContact CB-CE2 4.26Å; N1029-F1049 HydrophobicContact CB-CG 4.08Å; N1029-F1049 HydrophobicContact CB-CZ 4.12Å; N1029-C1054 PolarHBondContact ND2-O 2.8Å |
| 1030 | G | 69.6 | Low | 68.1 | Low | 73 Ų | 73 | 77.8 Ų | 77.8 | 75% | 0.753 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 17.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1028 | F1028-G1030 PolarHBondContact O-N 2.83Š|
| 1031 | A | 75.1 | Confident | 69 | Low | 17 Ų | 17 | 73.5 Ų | 73.5 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 154 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | C1027 F1028 I1044 C1054 | C1027-A1031 HydrophobicContact CB-CB 3.94Å; F1028-A1031 VanDerWaalsContact O-CB 3.27Å; F1028-A1031 WeakPolarHBondContact O-CB 3.03Å; F1028-A1031 PolarHBondContact O-N 3.48Å; A1031-I1044 WeakPolarHBondContact CA-O 3.48Å; A1031-I1044 VanDerWaalsContact CB-O 3.29Å; A1031-I1044 WeakPolarHBondContact CB-O 3.03Å; A1031-C1054 HydrophobicContact CB-CB 3.6Å; A1031-C1054 WeakPolarHBondContact CB-SG 3.41Å |
| 1032 | T | 80.2 | Confident | 70 | Confident | 89 Ų | 89 | 73.7 Ų | 73.7 | 55% | 0.546 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.3 | -179.8 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | I1044 | T1032-I1044 PolarHBondContact N-O 2.83Å; T1032-I1044 PolarHBondContact O-N 3.18Å |
| 1033 | C | 80.6 | Confident | 71.2 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 22% | 0.223 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 132.1 | 171.9 | -169.6 | 0 | 0 | 0 | 0 | 110.3 | C1017 | C1017-C1033 VanDerWaalsContact CA-SG 3.57Å; C1017-C1033 HydrophobicContact CB-CB 3.75Å; C1017-C1033 WeakPolarHBondContact CB-SG 3.45Å; C1017-C1033 WeakPolarHBondContact SG-CB 3.18Å; C1017-C1033 CovalentContact SG-SG 2.04Å; C1017-C1033 PolarHBondContact SG-SG 3.07Å |
| 1034 | L | 77.6 | Confident | 72.5 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 43% | 0.429 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.7 | 166.1 | -68.6 | -174.7 | 0 | 0 | 0 | 109.6 | F1041 T1042 I1044 | L1034-F1041 CarbonylContact O-C 3.39Å; L1034-F1041 WeakPolarHBondContact O-CA 3.27Å; L1034-T1042 PolarHBondContact N-O 3.07Å; L1034-T1042 PolarHBondContact O-N 2.94Å; L1034-I1044 HydrophobicContact CD1-CD1 3.46Å; L1034-I1044 VanDerWaalsContact CD1-CD1 3.46Å; L1034-I1044 HydrophobicContact CD1-CG1 4.14Å; L1034-I1044 HydrophobicContact CG-CD1 4.13Å; L1034-I1044 HydrophobicContact CG-CG1 4.49Å |
| 1035 | D | 76.3 | Confident | 73.4 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 34% | 0.337 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 156.7 | 179.9 | -166.9 | 56.8 | 0 | 0 | 0 | 112.2 | D1015 V1016 C1017 | D1015-D1035 WeakPolarHBondContact CA-OD1 3.01Å; D1015-D1035 WeakPolarHBondContact CA-OD2 3.18Å; V1016-D1035 PolarHBondContact N-OD1 3.09Å; C1017-D1035 PolarHBondContact SG-N 3.15Å; C1017-D1035 VanDerWaalsContact SG-N 3.36Å |
| 1036 | G | 68.1 | Low | 73.9 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 164.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1038 N1040 | G1036-G1038 PolarHBondContact O-N 2.92Å; G1036-N1040 CarbonylContact C-O 3.56Å; G1036-N1040 VanDerWaalsContact C-O 3.31Å; G1036-N1040 VanDerWaalsContact CA-O 3.23Å; G1036-N1040 WeakPolarHBondContact CA-O 3.5Å; G1036-N1040 PolarHBondContact N-O 3.13Å |
| 1037 | E | 66.7 | Low | 74 | Confident | 156 Ų | 156 | 63.7 Ų | 63.7 | 73% | 0.729 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 118.1 | -167 | -170.3 | 171.9 | -161.3 | 0 | 0 | 113.9 | F1005 D1013 N1040 | F1005-E1037 HydrophobicContact CZ-CG 4.13Å; D1013-E1037 WeakPolarHBondContact OD2-CA 3.46Å; E1037-N1040 WeakPolarHBondContact O-CB 3.38Å |
| 1038 | G | 68.4 | Low | 73.6 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -135.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1005 D1013 G1036 N1040 | F1005-G1038 VanDerWaalsContact CE2-CA 3.45Å; F1005-G1038 VanDerWaalsContact CZ-CA 3.48Å; D1013-G1038 VanDerWaalsContact OD1-CA 3.28Å; D1013-G1038 WeakPolarHBondContact OD1-CA 3.39Å; D1013-G1038 PolarHBondContact OD1-N 2.86Å; G1036-G1038 PolarHBondContact O-N 2.92Å; G1038-N1040 PolarHBondContact O-N 3.15Å |
| 1039 | S | 65.5 | Low | 73.6 | Confident | 71 Ų | 71 | 60.9 Ų | 60.9 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 17.5 | 178.1 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | D1003 | D1003-S1039 WeakPolarHBondContact O-CB 3.37Å; D1003-S1039 PolarHBondContact O-N 2.72Å; D1003-S1039 PolarHBondContact O-OG 3.39Å |
| 1040 | N | 68.2 | Low | 73.5 | Confident | 106 Ų | 106 | 61.5 Ų | 61.5 | 57% | 0.567 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134 | -165.1 | -165.4 | 13.9 | 0 | 0 | 0 | 111.5 | G1036 E1037 G1038 | G1036-N1040 CarbonylContact C-O 3.56Å; G1036-N1040 VanDerWaalsContact C-O 3.31Å; G1036-N1040 VanDerWaalsContact CA-O 3.23Å; G1036-N1040 WeakPolarHBondContact CA-O 3.5Å; G1036-N1040 PolarHBondContact N-O 3.13Å; E1037-N1040 WeakPolarHBondContact O-CB 3.38Å; G1038-N1040 PolarHBondContact O-N 3.15Å |
| 1041 | F | 74.3 | Confident | 73.4 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 18% | 0.18 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 159.6 | -179.7 | 69 | -84.1 | 0 | 0 | 0 | 111.5 | V1016 L1026 L1034 F1053 | V1016-F1041 HydrophobicContact CG1-CD1 4.27Å; L1026-F1041 HydrophobicContact CB-CD2 4.43Å; L1026-F1041 HydrophobicContact CB-CE2 3.77Å; L1026-F1041 HydrophobicContact CB-CZ 3.92Å; L1026-F1041 HydrophobicContact CD2-CE1 4.04Å; L1026-F1041 HydrophobicContact CD2-CZ 3.84Å; L1026-F1041 HydrophobicContact CG-CZ 4.37Å; L1034-F1041 CarbonylContact O-C 3.39Å; L1034-F1041 WeakPolarHBondContact O-CA 3.27Å; F1041-F1053 HydrophobicContact CE1-CE1 4.43Å; F1041-F1053 AromaticContact CE2-CD1 3.79Å; F1041-F1053 HydrophobicContact CE2-CD1 3.79Å; F1041-F1053 AromaticContact CE2-CE1 3.76Å; F1041-F1053 HydrophobicContact CE2-CE1 3.76Å; F1041-F1053 AromaticContact CZ-CD1 3.92Å; F1041-F1053 HydrophobicContact CZ-CD1 3.92Å; F1041-F1053 AromaticContact CZ-CE1 3.53Å; F1041-F1053 HydrophobicContact CZ-CE1 3.53Å |
| 1042 | T | 76.4 | Confident | 73.3 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.5 | 179.4 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | L1034 | L1034-T1042 PolarHBondContact N-O 3.07Å; L1034-T1042 PolarHBondContact O-N 2.94Å |
| 1043 | C | 79.5 | Confident | 73.2 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 12% | 0.122 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.1 | 178.1 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | C1027 | C1027-C1043 VanDerWaalsContact CA-SG 3.53Å; C1027-C1043 HydrophobicContact CB-CB 3.77Å; C1027-C1043 WeakPolarHBondContact CB-SG 3.09Å; C1027-C1043 WeakPolarHBondContact SG-CB 3.17Å; C1027-C1043 CovalentContact SG-SG 2.03Å; C1027-C1043 PolarHBondContact SG-SG 2.94Å |
| 1044 | I | 79.3 | Confident | 73 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.9 | 171.2 | -63.1 | -176.4 | 0 | 0 | 0 | 109.4 | A1031 T1032 L1034 | A1031-I1044 WeakPolarHBondContact CA-O 3.48Å; A1031-I1044 VanDerWaalsContact CB-O 3.29Å; A1031-I1044 WeakPolarHBondContact CB-O 3.03Å; T1032-I1044 PolarHBondContact N-O 2.83Å; T1032-I1044 PolarHBondContact O-N 3.18Å; L1034-I1044 HydrophobicContact CD1-CD1 3.46Å; L1034-I1044 VanDerWaalsContact CD1-CD1 3.46Å; L1034-I1044 HydrophobicContact CD1-CG1 4.14Å; L1034-I1044 HydrophobicContact CG-CD1 4.13Å; L1034-I1044 HydrophobicContact CG-CG1 4.49Å |
| 1045 | C | 77.3 | Confident | 73 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 28% | 0.284 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 137.9 | -175.5 | -49.8 | 0 | 0 | 0 | 0 | 113.1 | F1049 G1051 C1054 | C1045-F1049 HydrophobicContact CB-CB 4.44Å; C1045-F1049 WeakPolarHBondContact CB-O 3.43Å; C1045-G1051 PolarHBondContact SG-O 3.3Å; C1045-C1054 WeakPolarHBondContact CA-SG 3.22Å; C1045-C1054 HydrophobicContact CB-CB 3.67Å; C1045-C1054 WeakPolarHBondContact CB-SG 3.42Å; C1045-C1054 PolarHBondContact N-SG 3.28Å; C1045-C1054 WeakPolarHBondContact SG-CA 2.99Å; C1045-C1054 WeakPolarHBondContact SG-CB 3.28Å; C1045-C1054 CovalentContact SG-SG 2.04Å; C1045-C1054 PolarHBondContact SG-SG 3.46Å |
| 1046 | P | 75.1 | Confident | 72.8 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 26% | 0.26 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 158.2 | 169.5 | 26.1 | -26.6 | 0 | 0 | 0 | 111.2 | G1048 F1049 | P1046-G1048 PolarHBondContact O-N 3.23Å; P1046-F1049 HydrophobicContact CG-CD2 4.07Å; P1046-F1049 PolarHBondContact O-N 3.24Å; P1046-F1049 VanDerWaalsContact O-N 3.12Å |
| 1047 | P | 72.3 | Confident | 73 | Confident | 102 Ų | 102 | 66 Ų | 66 | 66% | 0.662 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 131 | -178.7 | -24.3 | 34.1 | 0 | 0 | 0 | 112.5 | ||
| 1048 | G | 68.6 | Low | 73.2 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -3.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1046 V1058 | P1046-G1048 PolarHBondContact O-N 3.23Å; G1048-V1058 VanDerWaalsContact C-CG2 3.42Å; G1048-V1058 WeakPolarHBondContact O-CB 3.44Å; G1048-V1058 WeakPolarHBondContact O-CG2 3.45Å; G1048-V1058 PolarHBondContact O-N 2.92Å |
| 1049 | F | 76 | Confident | 73.2 | Confident | 41 Ų | 41 | 63.5 Ų | 63.5 | 18% | 0.18 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.1 | 175.1 | -62.9 | -83.5 | 0 | 0 | 0 | 112.6 | N1029 C1045 P1046 V1056 D1057 I1076 | N1029-F1049 HydrophobicContact CB-CD1 3.94Å; N1029-F1049 HydrophobicContact CB-CD2 4.24Å; N1029-F1049 HydrophobicContact CB-CE1 3.97Å; N1029-F1049 HydrophobicContact CB-CE2 4.26Å; N1029-F1049 HydrophobicContact CB-CG 4.08Å; N1029-F1049 HydrophobicContact CB-CZ 4.12Å; C1045-F1049 HydrophobicContact CB-CB 4.44Å; C1045-F1049 WeakPolarHBondContact CB-O 3.43Å; P1046-F1049 HydrophobicContact CG-CD2 4.07Å; P1046-F1049 PolarHBondContact O-N 3.24Å; P1046-F1049 VanDerWaalsContact O-N 3.12Å; F1049-V1056 CarbonylContact C-O 3.55Å; F1049-V1056 VanDerWaalsContact CA-O 3.29Å; F1049-V1056 WeakPolarHBondContact CA-O 3.43Å; F1049-D1057 HydrophobicContact CE1-CB 4.41Å; F1049-I1076 HydrophobicContact CE2-CG2 3.82Å; F1049-I1076 HydrophobicContact CZ-CD1 4.49Å; F1049-I1076 HydrophobicContact CZ-CG1 4.42Å; F1049-I1076 HydrophobicContact CZ-CG2 3.76Å |
| 1050 | M | 69.4 | Low | 73.5 | Confident | 99 Ų | 99 | 62 Ų | 62 | 49% | 0.488 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 179 | 176.1 | 70.1 | 164.7 | 80.6 | 0 | 0 | 111 | C1054 E1055 V1056 V1058 | M1050-C1054 CarbonylContact O-C 3.54Å; M1050-E1055 PolarHBondContact O-N 2.99Å; M1050-V1056 HydrophobicContact CG-CB 4.09Å; M1050-V1056 HydrophobicContact CG-CG1 4.32Å; M1050-V1056 PolarHBondContact N-O 2.89Å; M1050-V1056 WeakPolarHBondContact O-CB 3.44Å; M1050-V1056 PolarHBondContact O-N 3.11Å; M1050-V1058 HydrophobicContact CB-CG2 3.96Å; M1050-V1058 HydrophobicContact CE-CB 4.14Å; M1050-V1058 HydrophobicContact CE-CG1 3.86Å; M1050-V1058 HydrophobicContact CE-CG2 3.71Å; M1050-V1058 HydrophobicContact CG-CG2 3.97Å |
| 1051 | G | 67.5 | Low | 73.6 | Confident | 29 Ų | 29 | 58 Ų | 58 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 99.7 | 156.2 | -171 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1045 F1053 C1054 | C1045-G1051 PolarHBondContact SG-O 3.3Å; G1051-F1053 PolarHBondContact O-N 2.97Å; G1051-C1054 PolarHBondContact O-N 3.36Å; G1051-C1054 VanDerWaalsContact O-N 3.07Å |
| 1052 | D | 73.1 | Confident | 73.3 | Confident | 138 Ų | 138 | 61.3 Ų | 61.3 | 74% | 0.738 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -21.2 | -172.3 | -60.3 | -39 | 0 | 0 | 0 | 112.4 | ||
| 1053 | F | 77.8 | Confident | 72.9 | Confident | 88 Ų | 88 | 61.8 Ų | 61.8 | 39% | 0.386 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 13.1 | 174.3 | -49.9 | -74 | 0 | 0 | 0 | 112.8 | F1028 F1041 G1051 E1055 | F1028-F1053 HydrophobicContact CD2-CB 3.95Å; F1028-F1053 HydrophobicContact CE2-CB 4.26Å; F1028-F1053 PolarHBondContact N-O 3.49Å; F1041-F1053 HydrophobicContact CE1-CE1 4.43Å; F1041-F1053 AromaticContact CE2-CD1 3.79Å; F1041-F1053 HydrophobicContact CE2-CD1 3.79Å; F1041-F1053 AromaticContact CE2-CE1 3.76Å; F1041-F1053 HydrophobicContact CE2-CE1 3.76Å; F1041-F1053 AromaticContact CZ-CD1 3.92Å; F1041-F1053 HydrophobicContact CZ-CD1 3.92Å; F1041-F1053 AromaticContact CZ-CE1 3.53Å; F1041-F1053 HydrophobicContact CZ-CE1 3.53Å; G1051-F1053 PolarHBondContact O-N 2.97Å; F1053-E1055 VanDerWaalsContact C-N 3.29Å; F1053-E1055 VanDerWaalsContact CA-OE2 3.32Å; F1053-E1055 WeakPolarHBondContact CA-OE2 3.05Å; F1053-E1055 WeakPolarHBondContact CB-OE2 3.36Å; F1053-E1055 PolarHBondContact N-OE2 2.94Å; F1053-E1055 PolarHBondContact O-N 3.31Å |
| 1054 | C | 76.4 | Confident | 72.1 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 61.4 | 31.5 | -179.7 | -48.3 | 0 | 0 | 0 | 0 | 114.7 | N1029 A1031 C1045 M1050 G1051 | N1029-C1054 PolarHBondContact ND2-O 2.8Å; A1031-C1054 HydrophobicContact CB-CB 3.6Å; A1031-C1054 WeakPolarHBondContact CB-SG 3.41Å; C1045-C1054 WeakPolarHBondContact CA-SG 3.22Å; C1045-C1054 HydrophobicContact CB-CB 3.67Å; C1045-C1054 WeakPolarHBondContact CB-SG 3.42Å; C1045-C1054 PolarHBondContact N-SG 3.28Å; C1045-C1054 WeakPolarHBondContact SG-CA 2.99Å; C1045-C1054 WeakPolarHBondContact SG-CB 3.28Å; C1045-C1054 CovalentContact SG-SG 2.04Å; C1045-C1054 PolarHBondContact SG-SG 3.46Å; M1050-C1054 CarbonylContact O-C 3.54Å; G1051-C1054 PolarHBondContact O-N 3.36Å; G1051-C1054 VanDerWaalsContact O-N 3.07Å |
| 1055 | E | 77.3 | Confident | 71.8 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | trans | -84.7 | -14.3 | -174.4 | 73.6 | -70.4 | 170.5 | 0 | 0 | 114.6 | F1028 M1050 F1053 | F1028-E1055 HydrophobicContact CB-CB 4.44Å; F1028-E1055 HydrophobicContact CD2-CB 4.12Å; F1028-E1055 HydrophobicContact CG-CB 4.49Å; M1050-E1055 PolarHBondContact O-N 2.99Å; F1053-E1055 VanDerWaalsContact C-N 3.29Å; F1053-E1055 VanDerWaalsContact CA-OE2 3.32Å; F1053-E1055 WeakPolarHBondContact CA-OE2 3.05Å; F1053-E1055 WeakPolarHBondContact CB-OE2 3.36Å; F1053-E1055 PolarHBondContact N-OE2 2.94Å; F1053-E1055 PolarHBondContact O-N 3.31Å | ||
| 1056 | V | 72.8 | Confident | 71.8 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.5 | -173.5 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | F1049 M1050 | F1049-V1056 CarbonylContact C-O 3.55Å; F1049-V1056 VanDerWaalsContact CA-O 3.29Å; F1049-V1056 WeakPolarHBondContact CA-O 3.43Å; M1050-V1056 HydrophobicContact CG-CB 4.09Å; M1050-V1056 HydrophobicContact CG-CG1 4.32Å; M1050-V1056 PolarHBondContact N-O 2.89Å; M1050-V1056 WeakPolarHBondContact O-CB 3.44Å; M1050-V1056 PolarHBondContact O-N 3.11Å |
| 1057 | D | 71.1 | Confident | 71.8 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 34% | 0.342 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.4 | 172.4 | -163 | -6.1 | 0 | 0 | 0 | 110.9 | F1049 N1059 I1076 | F1049-D1057 HydrophobicContact CE1-CB 4.41Å; D1057-N1059 PolarHBondContact O-N 3.44Å; D1057-I1076 WeakPolarHBondContact OD2-CG1 3.45Å |
| 1058 | V | 70.1 | Confident | 71.7 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 22% | 0.218 | 39% | 0.393 | C | S | . | . | trans | -86.1 | 107.7 | -174.2 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | G1048 M1050 E1060 | G1048-V1058 VanDerWaalsContact C-CG2 3.42Å; G1048-V1058 WeakPolarHBondContact O-CB 3.44Å; G1048-V1058 WeakPolarHBondContact O-CG2 3.45Å; G1048-V1058 PolarHBondContact O-N 2.92Å; M1050-V1058 HydrophobicContact CB-CG2 3.96Å; M1050-V1058 HydrophobicContact CE-CB 4.14Å; M1050-V1058 HydrophobicContact CE-CG1 3.86Å; M1050-V1058 HydrophobicContact CE-CG2 3.71Å; M1050-V1058 HydrophobicContact CG-CG2 3.97Å; V1058-E1060 VanDerWaalsContact O-CD 3.24Å; V1058-E1060 PolarHBondContact O-N 3.46Å | ||
| 1059 | N | 69 | Low | 71.8 | Confident | 72 Ų | 72 | 73.5 Ų | 73.5 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | trans | -71.8 | 96.5 | 179.4 | -169.5 | -76.8 | 0 | 0 | 0 | 112.7 | D1057 C1061 C1062 D1074 | D1057-N1059 PolarHBondContact O-N 3.44Å; N1059-C1061 PolarHBondContact O-N 3.43Å; N1059-C1061 WeakPolarHBondContact OD1-CB 3.04Å; N1059-C1061 PolarHBondContact OD1-N 2.04Å; N1059-C1062 PolarHBondContact O-N 3.28Å; N1059-C1062 PolarHBondContact OD1-N 3.27Å; N1059-C1062 VanDerWaalsContact OD1-N 3.1Å; N1059-C1062 PolarHBondContact OD1-SG 3.12Å; N1059-D1074 VanDerWaalsContact CA-OD1 3.27Å; N1059-D1074 WeakPolarHBondContact CA-OD1 3.33Å; N1059-D1074 VanDerWaalsContact CA-OD2 3.32Å; N1059-D1074 WeakPolarHBondContact CA-OD2 3.39Å; N1059-D1074 WeakPolarHBondContact CB-OD2 2.94Å; N1059-D1074 VanDerWaalsContact CG-CG 3.48Å; N1059-D1074 VanDerWaalsContact CG-OD2 3.24Å; N1059-D1074 PolarHBondContact ND2-OD1 3.28Å; N1059-D1074 PolarHBondContact ND2-OD2 2.68Å | ||
| 1060 | E | 72.6 | Confident | 71.8 | Confident | 38 Ų | 38 | 72.3 Ų | 72.3 | 18% | 0.178 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -70.1 | -19.2 | 179.8 | -72.2 | 101.5 | -167.4 | 0 | 0 | 113.2 | V1058 C1062 S1063 D1074 N1077 S1078 Y1079 | V1058-E1060 VanDerWaalsContact O-CD 3.24Å; V1058-E1060 PolarHBondContact O-N 3.46Å; E1060-C1062 VanDerWaalsContact C-N 3.26Å; E1060-C1062 PolarHBondContact O-N 3.03Å; E1060-S1063 PolarHBondContact O-N 2.8Å; E1060-S1063 PolarHBondContact O-OG 3.48Å; E1060-D1074 PolarHBondContact N-OD1 2.04Å; E1060-N1077 VanDerWaalsContact OE1-CA 3.31Å; E1060-N1077 WeakPolarHBondContact OE1-CA 3.1Å; E1060-S1078 WeakPolarHBondContact OE2-CA 3.21Å; E1060-S1078 PolarHBondContact OE2-N 3.44Å; E1060-Y1079 HydrophobicContact CB-CD1 4Å |
| 1061 | C | 69.8 | Low | 72.2 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 15% | 0.149 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -65.9 | -22 | 175.3 | -73.8 | 0 | 0 | 0 | 0 | 114.4 | N1059 S1063 A1064 C1072 D1074 | N1059-C1061 PolarHBondContact O-N 3.43Å; N1059-C1061 WeakPolarHBondContact OD1-CB 3.04Å; N1059-C1061 PolarHBondContact OD1-N 2.04Å; C1061-S1063 PolarHBondContact O-N 2.89Å; C1061-A1064 PolarHBondContact O-N 3.48Å; C1061-A1064 VanDerWaalsContact O-N 3.07Å; C1061-C1072 WeakPolarHBondContact CA-SG 3.31Å; C1061-C1072 HydrophobicContact CB-CB 3.67Å; C1061-C1072 WeakPolarHBondContact CB-SG 3.06Å; C1061-C1072 WeakPolarHBondContact SG-CB 3.08Å; C1061-C1072 CovalentContact SG-SG 2.03Å; C1061-C1072 PolarHBondContact SG-SG 2.98Å; C1061-D1074 PolarHBondContact N-OD1 3.43Å; C1061-D1074 PolarHBondContact SG-N 2.96Å |
| 1062 | C | 66.9 | Low | 72.8 | Confident | 112 Ų | 112 | 71.2 Ų | 71.2 | 76% | 0.757 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -61.3 | -23.7 | 176.7 | -81.4 | 0 | 0 | 0 | 0 | 114 | N1059 E1060 A1064 | N1059-C1062 PolarHBondContact O-N 3.28Å; N1059-C1062 PolarHBondContact OD1-N 3.27Å; N1059-C1062 VanDerWaalsContact OD1-N 3.1Å; N1059-C1062 PolarHBondContact OD1-SG 3.12Å; E1060-C1062 VanDerWaalsContact C-N 3.26Å; E1060-C1062 PolarHBondContact O-N 3.03Å; C1062-A1064 PolarHBondContact O-N 3.12Å |
| 1063 | S | 68.4 | Low | 73 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 64% | 0.643 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -76.7 | 2.2 | 175.6 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | E1060 C1061 P1065 | E1060-S1063 PolarHBondContact O-N 2.8Å; E1060-S1063 PolarHBondContact O-OG 3.48Å; C1061-S1063 PolarHBondContact O-N 2.89Å; S1063-P1065 WeakPolarHBondContact OG-CD 3.5Å |
| 1064 | A | 63.1 | Low | 72.9 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 66% | 0.661 | 40% | 0.397 | S | S | * | . | trans | 49.3 | 49.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1061 C1062 C1066 | C1061-A1064 PolarHBondContact O-N 3.48Å; C1061-A1064 VanDerWaalsContact O-N 3.07Å; C1062-A1064 PolarHBondContact O-N 3.12Å; A1064-C1066 PolarHBondContact O-N 3.26Å | ||
| 1065 | P | 74.1 | Confident | 72.8 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 21% | 0.214 | 42% | 0.415 | C | S | . | . | trans | -73.4 | -14.1 | -171.3 | 33 | -37.2 | 0 | 0 | 0 | 113.6 | S1063 Y1079 | S1063-P1065 WeakPolarHBondContact OG-CD 3.5Å; P1065-Y1079 HydrophobicContact CB-CD1 4.44Å; P1065-Y1079 HydrophobicContact CB-CD2 4.16Å; P1065-Y1079 HydrophobicContact CB-CE1 3.91Å; P1065-Y1079 HydrophobicContact CB-CE2 3.59Å; P1065-Y1079 VanDerWaalsContact CB-CZ 3.46Å; P1065-Y1079 HydrophobicContact CG-CD1 3.98Å; P1065-Y1079 HydrophobicContact CG-CD2 3.58Å; P1065-Y1079 HydrophobicContact CG-CE1 3.97Å; P1065-Y1079 HydrophobicContact CG-CE2 3.57Å; P1065-Y1079 HydrophobicContact CG-CG 3.81Å | ||
| 1066 | C | 75.5 | Confident | 72.5 | Confident | 20 Ų | 20 | 71.4 Ų | 71.4 | 14% | 0.135 | 42% | 0.42 | C | S | . | . | trans | -86.7 | 114.4 | -179.5 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | A1064 A1070 C1072 C1081 | A1064-C1066 PolarHBondContact O-N 3.26Å; C1066-A1070 HydrophobicContact CB-CB 4.22Å; C1066-C1072 HydrophobicContact CB-CB 4.32Å; C1066-C1072 WeakPolarHBondContact SG-CB 3.2Å; C1066-C1081 WeakPolarHBondContact CA-SG 3.07Å; C1066-C1081 HydrophobicContact CB-CB 3.76Å; C1066-C1081 WeakPolarHBondContact CB-SG 3.48Å; C1066-C1081 WeakPolarHBondContact SG-CA 3.36Å; C1066-C1081 WeakPolarHBondContact SG-CB 3.37Å; C1066-C1081 CovalentContact SG-SG 2.03Å; C1066-C1081 PolarHBondContact SG-SG 3.07Å | ||
| 1067 | Q | 75 | Confident | 72.3 | Confident | 157 Ų | 157 | 72.6 Ų | 72.6 | 73% | 0.734 | 42% | 0.424 | S | S | * | . | trans | -84.6 | 171.4 | 177.8 | -59.9 | -173.4 | 7.4 | 0 | 0 | 112.4 | S1069 A1070 | Q1067-S1069 VanDerWaalsContact C-N 3.32Å; Q1067-S1069 PolarHBondContact O-N 3.31Å; Q1067-A1070 PolarHBondContact O-N 3.22Å | ||
| 1068 | N | 71.6 | Confident | 72.4 | Confident | 157 Ų | 157 | 72.1 Ų | 72.1 | 84% | 0.84 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 33.1 | 175.3 | -57.6 | -39 | 0 | 0 | 0 | 115.8 | A1070 | N1068-A1070 PolarHBondContact O-N 3.03Š|
| 1069 | S | 69.6 | Low | 72.8 | Confident | 108 Ų | 108 | 75.5 Ų | 75.5 | 76% | 0.755 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 21.1 | 177.8 | -45.5 | 0 | 0 | 0 | 0 | 115.1 | Q1067 | Q1067-S1069 VanDerWaalsContact C-N 3.32Å; Q1067-S1069 PolarHBondContact O-N 3.31Å |
| 1070 | A | 76.4 | Confident | 73.4 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 12% | 0.124 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 145.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111 | C1066 Q1067 N1068 C1081 H1082 | C1066-A1070 HydrophobicContact CB-CB 4.22Å; Q1067-A1070 PolarHBondContact O-N 3.22Å; N1068-A1070 PolarHBondContact O-N 3.03Å; A1070-C1081 HydrophobicContact CB-CB 4.13Å; A1070-H1082 CarbonylContact C-O 3.57Å; A1070-H1082 WeakPolarHBondContact CA-O 3.44Å |
| 1071 | V | 78.7 | Confident | 73.8 | Confident | 70 Ų | 70 | 75.6 Ų | 75.6 | 42% | 0.424 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | H1082 | V1071-H1082 PolarHBondContact N-O 2.77Å; V1071-H1082 PolarHBondContact O-N 3.12Å |
| 1072 | C | 78.4 | Confident | 74.4 | Confident | 36 Ų | 36 | 78.8 Ų | 78.8 | 24% | 0.243 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 132.7 | 175.6 | -165.6 | 0 | 0 | 0 | 0 | 110.6 | C1061 C1066 | C1061-C1072 WeakPolarHBondContact CA-SG 3.31Å; C1061-C1072 HydrophobicContact CB-CB 3.67Å; C1061-C1072 WeakPolarHBondContact CB-SG 3.06Å; C1061-C1072 WeakPolarHBondContact SG-CB 3.08Å; C1061-C1072 CovalentContact SG-SG 2.03Å; C1061-C1072 PolarHBondContact SG-SG 2.98Å; C1066-C1072 HydrophobicContact CB-CB 4.32Å; C1066-C1072 WeakPolarHBondContact SG-CB 3.2Å |
| 1073 | Q | 79.2 | Confident | 74.8 | Confident | 99 Ų | 99 | 78.7 Ų | 78.7 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.5 | 165.9 | 178 | -179.1 | -6.6 | 0 | 0 | 108.8 | Y1079 V1080 H1082 | Q1073-Y1079 WeakPolarHBondContact O-CA 3.01Å; Q1073-V1080 PolarHBondContact N-O 3.03Å; Q1073-V1080 PolarHBondContact O-N 3.43Å; Q1073-H1082 PolarHBondContact OE1-NE2 2.99Å |
| 1074 | D | 74.8 | Confident | 74.8 | Confident | 45 Ų | 45 | 83.5 Ų | 83.5 | 24% | 0.241 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 145.9 | -179.8 | -148.4 | 46 | 0 | 0 | 0 | 111.5 | N1059 E1060 C1061 | N1059-D1074 VanDerWaalsContact CA-OD1 3.27Å; N1059-D1074 WeakPolarHBondContact CA-OD1 3.33Å; N1059-D1074 VanDerWaalsContact CA-OD2 3.32Å; N1059-D1074 WeakPolarHBondContact CA-OD2 3.39Å; N1059-D1074 WeakPolarHBondContact CB-OD2 2.94Å; N1059-D1074 VanDerWaalsContact CG-CG 3.48Å; N1059-D1074 VanDerWaalsContact CG-OD2 3.24Å; N1059-D1074 PolarHBondContact ND2-OD1 3.28Å; N1059-D1074 PolarHBondContact ND2-OD2 2.68Å; E1060-D1074 PolarHBondContact N-OD1 2.04Å; C1061-D1074 PolarHBondContact N-OD1 3.43Å; C1061-D1074 PolarHBondContact SG-N 2.96Å |
| 1075 | L | 73.9 | Confident | 74.9 | Confident | 71 Ų | 71 | 86.3 Ų | 86.3 | 37% | 0.372 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 155.7 | 173.1 | -58.2 | 169.3 | 0 | 0 | 0 | 108.1 | N1077 S1078 V1080 | L1075-N1077 PolarHBondContact O-N 3.34Å; L1075-S1078 CarbonylContact C-O 3.3Å; L1075-S1078 WeakPolarHBondContact CA-O 3.02Å; L1075-S1078 VanDerWaalsContact CB-O 3.29Å; L1075-S1078 WeakPolarHBondContact CB-O 3.28Å; L1075-S1078 PolarHBondContact N-O 3.15Å; L1075-S1078 PolarHBondContact O-N 2.84Å; L1075-S1078 VanDerWaalsContact O-N 3.09Å; L1075-V1080 HydrophobicContact CD1-CG2 3.67Å |
| 1076 | I | 71.3 | Confident | 73.7 | Confident | 104 Ų | 104 | 91.8 Ų | 91.8 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 117.9 | 177.1 | -62.8 | 160 | 0 | 0 | 0 | 110.1 | F1049 D1057 S1078 | F1049-I1076 HydrophobicContact CE2-CG2 3.82Å; F1049-I1076 HydrophobicContact CZ-CD1 4.49Å; F1049-I1076 HydrophobicContact CZ-CG1 4.42Å; F1049-I1076 HydrophobicContact CZ-CG2 3.76Å; D1057-I1076 WeakPolarHBondContact OD2-CG1 3.45Å; I1076-S1078 PolarHBondContact O-N 3.02Å |
| 1077 | N | 68.7 | Low | 73.6 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 58.9 | 25.5 | 178 | -164.2 | 34.1 | 0 | 0 | 0 | 114.4 | E1060 L1075 | E1060-N1077 VanDerWaalsContact OE1-CA 3.31Å; E1060-N1077 WeakPolarHBondContact OE1-CA 3.1Å; L1075-N1077 PolarHBondContact O-N 3.34Å |
| 1078 | S | 72.4 | Confident | 73.6 | Confident | 54 Ų | 54 | 92.2 Ų | 92.2 | 38% | 0.378 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 163.4 | 176.9 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | E1060 L1075 I1076 | E1060-S1078 WeakPolarHBondContact OE2-CA 3.21Å; E1060-S1078 PolarHBondContact OE2-N 3.44Å; L1075-S1078 CarbonylContact C-O 3.3Å; L1075-S1078 WeakPolarHBondContact CA-O 3.02Å; L1075-S1078 VanDerWaalsContact CB-O 3.29Å; L1075-S1078 WeakPolarHBondContact CB-O 3.28Å; L1075-S1078 PolarHBondContact N-O 3.15Å; L1075-S1078 PolarHBondContact O-N 2.84Å; L1075-S1078 VanDerWaalsContact O-N 3.09Å; I1076-S1078 PolarHBondContact O-N 3.02Å |
| 1079 | Y | 78.3 | Confident | 73.7 | Confident | 108 Ų | 108 | 88.6 Ų | 88.6 | 42% | 0.424 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.1 | 175.3 | 64.6 | -87.3 | 0 | 0 | 0 | 112.8 | E1060 P1065 Q1073 | E1060-Y1079 HydrophobicContact CB-CD1 4Å; P1065-Y1079 HydrophobicContact CB-CD1 4.44Å; P1065-Y1079 HydrophobicContact CB-CD2 4.16Å; P1065-Y1079 HydrophobicContact CB-CE1 3.91Å; P1065-Y1079 HydrophobicContact CB-CE2 3.59Å; P1065-Y1079 VanDerWaalsContact CB-CZ 3.46Å; P1065-Y1079 HydrophobicContact CG-CD1 3.98Å; P1065-Y1079 HydrophobicContact CG-CD2 3.58Å; P1065-Y1079 HydrophobicContact CG-CE1 3.97Å; P1065-Y1079 HydrophobicContact CG-CE2 3.57Å; P1065-Y1079 HydrophobicContact CG-CG 3.81Å; Q1073-Y1079 WeakPolarHBondContact O-CA 3.01Å |
| 1080 | V | 82.4 | Confident | 73.9 | Confident | 59 Ų | 59 | 87.4 Ų | 87.4 | 36% | 0.358 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.1 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | Q1073 L1075 | Q1073-V1080 PolarHBondContact N-O 3.03Å; Q1073-V1080 PolarHBondContact O-N 3.43Å; L1075-V1080 HydrophobicContact CD1-CG2 3.67Å |
| 1081 | C | 82.1 | Confident | 73.7 | Confident | 52 Ų | 52 | 91.9 Ų | 91.9 | 35% | 0.351 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 115.6 | 177.6 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | C1066 A1070 | C1066-C1081 WeakPolarHBondContact CA-SG 3.07Å; C1066-C1081 HydrophobicContact CB-CB 3.76Å; C1066-C1081 WeakPolarHBondContact CB-SG 3.48Å; C1066-C1081 WeakPolarHBondContact SG-CA 3.36Å; C1066-C1081 WeakPolarHBondContact SG-CB 3.37Å; C1066-C1081 CovalentContact SG-SG 2.03Å; C1066-C1081 PolarHBondContact SG-SG 3.07Å; A1070-C1081 HydrophobicContact CB-CB 4.13Å |
| 1082 | H | 81.1 | Confident | 73.4 | Confident | 90 Ų | 90 | 93.4 Ų | 93.4 | 42% | 0.417 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 107.1 | 175.3 | -64 | -73 | 0 | 0 | 0 | 111.2 | A1070 V1071 Q1073 | A1070-H1082 CarbonylContact C-O 3.57Å; A1070-H1082 WeakPolarHBondContact CA-O 3.44Å; V1071-H1082 PolarHBondContact N-O 2.77Å; V1071-H1082 PolarHBondContact O-N 3.12Å; Q1073-H1082 PolarHBondContact OE1-NE2 2.99Å |
| 1083 | C | 76.3 | Confident | 73.1 | Confident | 109 Ų | 109 | 97.5 Ų | 97.5 | 74% | 0.736 | 57% | 0.572 | S | S | * | * | trans | -66.1 | 137.6 | 173.5 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1084 | R | 67.9 | Low | 72.6 | Confident | 194 Ų | 194 | 97.4 Ų | 97.4 | 73% | 0.732 | 58% | 0.58 | S | S | * | * | trans | -76.2 | 145 | 168.4 | -64.1 | -177.1 | 179.9 | -170.4 | 0.6 | 109.3 | G1086 | R1084-G1086 PolarHBondContact O-N 2.03Å; R1084-G1086 VanDerWaalsContact O-N 3.13Å | ||
| 1085 | S | 65.3 | Low | 72.4 | Confident | 138 Ų | 138 | 101.8 Ų | 101.8 | 97% | 0.965 | 61% | 0.608 | S | S | * | * | trans | -59.5 | 112.4 | -173 | -48.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1086 | G | 49.1 | Very low | 72.3 | Confident | 149 Ų | 149 | 104.5 Ų | 104.5 | 100% | 1.536 | 63% | 0.63 | S | S | * | * | trans | 177.1 | 0 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R1084 | R1084-G1086 PolarHBondContact O-N 2.03Å; R1084-G1086 VanDerWaalsContact O-N 3.13Å |
Retrieved 1,086 of 1,086 residues in 436.4 ms
(Link to these results)