| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 63.8 | Low | 78.3 | Confident | 249 Ų | 249 | 116 Ų | 116 | 100% | 1.227 | 62% | 0.618 | S | S | * | * | 0 | 135.8 | 0 | -73.6 | 170 | 163.5 | 0 | 0 | 108.2 | |||||
| 2 | T | 66.5 | Low | 77.8 | Confident | 141 Ų | 141 | 114.7 Ų | 114.7 | 87% | 0.865 | 61% | 0.61 | S | S | * | * | trans | -105.1 | 125 | 167 | 43.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | I | 83 | Confident | 77.7 | Confident | 110 Ų | 110 | 115.6 Ų | 115.6 | 56% | 0.564 | 61% | 0.609 | S | S | * | * | trans | -74.3 | 149.9 | 171.4 | 56.9 | 178.5 | 0 | 0 | 0 | 110 | Q7 A8 | I3-Q7 HydrophobicContact CB-CB 4.39Å; I3-A8 HydrophobicContact CD1-CB 3.86Å | ||
| 4 | S | 86 | Confident | 77.7 | Confident | 63 Ų | 63 | 114.3 Ų | 114.3 | 44% | 0.441 | 60% | 0.597 | S | S | . | * | trans | -71.3 | 157.2 | 168.9 | -172 | 0 | 0 | 0 | 0 | 110.8 | E6 Q7 A8 | S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 PolarHBondContact O-N 2.98Å; S4-Q7 VanDerWaalsContact N-OE1 3.16Å; S4-Q7 PolarHBondContact O-N 3.11Å; S4-Q7 VanDerWaalsContact O-N 3.14Å; S4-A8 PolarHBondContact O-N 3.36Å | ||
| 5 | L | 83.7 | Confident | 76.9 | Confident | 149 Ų | 149 | 113.7 Ų | 113.7 | 78% | 0.78 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.8 | -41.2 | 172.7 | -69.3 | 175.3 | 0 | 0 | 0 | 111.3 | Q7 A8 L9 | L5-Q7 VanDerWaalsContact C-N 3.3Å; L5-Q7 PolarHBondContact O-N 3.02Å; L5-A8 WeakPolarHBondContact O-CB 3.3Å; L5-A8 PolarHBondContact O-N 2.9Å; L5-A8 VanDerWaalsContact O-N 3.11Å; L5-L9 PolarHBondContact O-N 3.14Å |
| 6 | E | 86.9 | Confident | 76.5 | Confident | 126 Ų | 126 | 113.3 Ų | 113.3 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -56.2 | -43.3 | 173.7 | -55 | -52.5 | 139.7 | 0 | 0 | 112.2 | S4 L9 I10 | S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 PolarHBondContact O-N 2.98Å; E6-L9 PolarHBondContact O-N 3.42Å; E6-I10 WeakPolarHBondContact O-CD1 3.48Å; E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.44Å; E6-I10 PolarHBondContact O-N 3.36Å |
| 7 | Q | 83 | Confident | 76.5 | Confident | 105 Ų | 105 | 114.6 Ų | 114.6 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.2 | -36 | 178 | -69.9 | 177.4 | -32.4 | 0 | 0 | 111.7 | I3 S4 L5 I11 | I3-Q7 HydrophobicContact CB-CB 4.39Å; S4-Q7 VanDerWaalsContact N-OE1 3.16Å; S4-Q7 PolarHBondContact O-N 3.11Å; S4-Q7 VanDerWaalsContact O-N 3.14Å; L5-Q7 VanDerWaalsContact C-N 3.3Å; L5-Q7 PolarHBondContact O-N 3.02Å; Q7-I11 WeakPolarHBondContact O-CB 3.42Å; Q7-I11 WeakPolarHBondContact O-CD1 3.33Å; Q7-I11 WeakPolarHBondContact O-CG1 3.45Å; Q7-I11 PolarHBondContact O-N 3.44Å |
| 8 | A | 76.7 | Confident | 76.2 | Confident | 38 Ų | 38 | 112.8 Ų | 112.8 | 31% | 0.314 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.9 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I3 S4 L5 L12 | I3-A8 HydrophobicContact CD1-CB 3.86Å; S4-A8 PolarHBondContact O-N 3.36Å; L5-A8 WeakPolarHBondContact O-CB 3.3Å; L5-A8 PolarHBondContact O-N 2.9Å; L5-A8 VanDerWaalsContact O-N 3.11Å; A8-L12 WeakPolarHBondContact O-CB 3.36Å; A8-L12 PolarHBondContact O-N 3.34Å |
| 9 | L | 78.6 | Confident | 75.7 | Confident | 105 Ų | 105 | 109.8 Ų | 109.8 | 55% | 0.55 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -53.8 | 175.1 | -168.5 | 81.6 | 0 | 0 | 0 | 111.1 | L5 E6 I11 L12 E13 | L5-L9 PolarHBondContact O-N 3.14Å; E6-L9 PolarHBondContact O-N 3.42Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.06Å; L9-L12 WeakPolarHBondContact O-CA 3.16Å; L9-L12 WeakPolarHBondContact O-CB 3.35Å; L9-L12 PolarHBondContact O-N 3.04Å; L9-E13 PolarHBondContact O-N 3.01Å |
| 10 | I | 80.7 | Confident | 75.4 | Confident | 107 Ų | 107 | 109.5 Ų | 109.5 | 55% | 0.549 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.1 | -41.5 | 180 | -66.5 | 163.2 | 0 | 0 | 0 | 111.3 | E6 L12 H14 | E6-I10 WeakPolarHBondContact O-CD1 3.48Å; E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.44Å; E6-I10 PolarHBondContact O-N 3.36Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 2.98Å; I10-H14 WeakPolarHBondContact O-CB 3.2Å; I10-H14 PolarHBondContact O-N 2.99Å |
| 11 | I | 72.6 | Confident | 75.3 | Confident | 83 Ų | 83 | 106.7 Ų | 106.7 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -34.5 | 176.2 | -71 | 165.8 | 0 | 0 | 0 | 111.7 | Q7 L9 R15 | Q7-I11 WeakPolarHBondContact O-CB 3.42Å; Q7-I11 WeakPolarHBondContact O-CD1 3.33Å; Q7-I11 WeakPolarHBondContact O-CG1 3.45Å; Q7-I11 PolarHBondContact O-N 3.44Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.06Å; I11-R15 WeakPolarHBondContact O-CB 3.47Å; I11-R15 WeakPolarHBondContact O-CD 3.12Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 2.87Å |
| 12 | L | 72.3 | Confident | 75.6 | Confident | 100 Ų | 100 | 97.9 Ų | 97.9 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.6 | -46.1 | 177.3 | 179.9 | 61.3 | 0 | 0 | 0 | 111.6 | A8 L9 I10 R15 Q16 | A8-L12 WeakPolarHBondContact O-CB 3.36Å; A8-L12 PolarHBondContact O-N 3.34Å; L9-L12 WeakPolarHBondContact O-CA 3.16Å; L9-L12 WeakPolarHBondContact O-CB 3.35Å; L9-L12 PolarHBondContact O-N 3.04Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 2.98Å; L12-R15 WeakPolarHBondContact O-CB 3.43Å; L12-R15 PolarHBondContact O-N 3.27Å; L12-Q16 WeakPolarHBondContact O-CG 3.48Å; L12-Q16 PolarHBondContact O-N 3.05Å |
| 13 | E | 75.9 | Confident | 75.5 | Confident | 127 Ų | 127 | 91.8 Ų | 91.8 | 59% | 0.593 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61 | -48.6 | 178.3 | -173.1 | 176.9 | 172 | 0 | 0 | 111.5 | L9 R15 Q16 Q17 | L9-E13 PolarHBondContact O-N 3.01Å; E13-R15 VanDerWaalsContact C-N 3.26Å; E13-R15 PolarHBondContact O-N 2.64Å; E13-Q16 WeakPolarHBondContact O-CB 3.44Å; E13-Q16 PolarHBondContact O-N 2.98Å; E13-Q17 PolarHBondContact O-N 3.08Å |
| 14 | H | 78.2 | Confident | 75.1 | Confident | 97 Ų | 97 | 91.7 Ų | 91.7 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.3 | -37.6 | 174.4 | 178.1 | -99 | 0 | 0 | 0 | 112.5 | I10 Q17 Q18 | I10-H14 WeakPolarHBondContact O-CB 3.2Å; I10-H14 PolarHBondContact O-N 2.99Å; H14-Q17 PolarHBondContact O-N 3.2Å; H14-Q18 PolarHBondContact CE1-NE2 2.62Å; H14-Q18 WeakPolarHBondContact O-CB 3.14Å; H14-Q18 WeakPolarHBondContact O-CG 3.43Å; H14-Q18 PolarHBondContact O-N 3.27Å |
| 15 | R | 65 | Low | 74.4 | Confident | 105 Ų | 105 | 94.1 Ų | 94.1 | 40% | 0.396 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 174.1 | -78.8 | 169.6 | 179.1 | -98.7 | -0.3 | 113 | I11 L12 E13 M19 Y252 | I11-R15 WeakPolarHBondContact O-CB 3.47Å; I11-R15 WeakPolarHBondContact O-CD 3.12Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 2.87Å; L12-R15 WeakPolarHBondContact O-CB 3.43Å; L12-R15 PolarHBondContact O-N 3.27Å; E13-R15 VanDerWaalsContact C-N 3.26Å; E13-R15 PolarHBondContact O-N 2.64Å; R15-M19 VanDerWaalsContact O-CB 3.28Å; R15-M19 WeakPolarHBondContact O-CB 3.28Å; R15-M19 PolarHBondContact O-N 3.39Å; R15-Y252 VanDerWaalsContact NH2-CD2 3.32Å |
| 16 | Q | 70.8 | Confident | 73.7 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 51% | 0.505 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.8 | -67.4 | -62.7 | -39.5 | 0 | 0 | 110.6 | L12 E13 M19 L20 | L12-Q16 WeakPolarHBondContact O-CG 3.48Å; L12-Q16 PolarHBondContact O-N 3.05Å; E13-Q16 WeakPolarHBondContact O-CB 3.44Å; E13-Q16 PolarHBondContact O-N 2.98Å; Q16-M19 PolarHBondContact O-N 2.76Å; Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 PolarHBondContact O-N 3.27Å |
| 17 | Q | 77.2 | Confident | 72.9 | Confident | 136 Ų | 136 | 84.4 Ų | 84.4 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 178.2 | -165 | 176.7 | 18.3 | 0 | 0 | 112.5 | E13 H14 L20 A21 | E13-Q17 PolarHBondContact O-N 3.08Å; H14-Q17 PolarHBondContact O-N 3.2Å; Q17-L20 PolarHBondContact O-N 2.98Å; Q17-A21 WeakPolarHBondContact O-CB 3.21Å; Q17-A21 PolarHBondContact O-N 2.9Å |
| 18 | Q | 71.1 | Confident | 72.2 | Confident | 82 Ų | 82 | 85.8 Ų | 85.8 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 173.3 | -76.3 | -170.9 | -28.8 | 0 | 0 | 112.5 | H14 A21 F22 | H14-Q18 PolarHBondContact CE1-NE2 2.62Å; H14-Q18 WeakPolarHBondContact O-CB 3.14Å; H14-Q18 WeakPolarHBondContact O-CG 3.43Å; H14-Q18 PolarHBondContact O-N 3.27Å; Q18-A21 PolarHBondContact O-N 3.4Å; Q18-F22 WeakPolarHBondContact O-CB 3.41Å; Q18-F22 PolarHBondContact O-N 2.84Å |
| 19 | M | 66.2 | Low | 71.9 | Confident | 56 Ų | 56 | 86.2 Ų | 86.2 | 28% | 0.276 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 175.8 | -176.1 | -174.2 | -64.3 | 0 | 0 | 111.4 | R15 Q16 F22 Q23 F287 | R15-M19 VanDerWaalsContact O-CB 3.28Å; R15-M19 WeakPolarHBondContact O-CB 3.28Å; R15-M19 PolarHBondContact O-N 3.39Å; Q16-M19 PolarHBondContact O-N 2.76Å; M19-F22 PolarHBondContact O-N 3.28Å; M19-Q23 WeakPolarHBondContact O-CG 3.41Å; M19-Q23 PolarHBondContact O-N 3.1Å; M19-F287 HydrophobicContact CE-CD2 3.68Å; M19-F287 HydrophobicContact CE-CE2 3.69Å; M19-F287 HydrophobicContact CE-CG 4.21Å; M19-F287 HydrophobicContact CE-CZ 4.22Å; M19-F287 HydrophobicContact CG-CE2 4.04Å; M19-F287 HydrophobicContact CG-CZ 4.44Å; M19-F287 HydrophobicContact SD-CD2 3.72Å; M19-F287 HydrophobicContact SD-CE2 3.43Å; M19-F287 WeakPolarHBondContact SD-CE2 3.29Å; M19-F287 HydrophobicContact SD-CZ 4.29Å |
| 20 | L | 69.8 | Low | 71.3 | Confident | 102 Ų | 102 | 82.3 Ų | 82.3 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 177.9 | -178.1 | 63.5 | 0 | 0 | 0 | 112.1 | Q16 Q17 Q23 Q24 | Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 PolarHBondContact O-N 3.27Å; Q17-L20 PolarHBondContact O-N 2.98Å; L20-Q23 PolarHBondContact O-N 2.95Å; L20-Q24 WeakPolarHBondContact O-CG 3.39Å; L20-Q24 PolarHBondContact O-N 3.29Å |
| 21 | A | 73.1 | Confident | 70.7 | Confident | 52 Ų | 52 | 80.1 Ų | 80.1 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q17 Q18 Q24 Q25 | Q17-A21 WeakPolarHBondContact O-CB 3.21Å; Q17-A21 PolarHBondContact O-N 2.9Å; Q18-A21 PolarHBondContact O-N 3.4Å; A21-Q24 PolarHBondContact O-N 2.92Å; A21-Q25 WeakPolarHBondContact O-CB 3.35Å; A21-Q25 PolarHBondContact O-N 3.3Å |
| 22 | F | 70.8 | Confident | 70.4 | Confident | 63 Ų | 63 | 80.2 Ų | 80.2 | 28% | 0.276 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.3 | 179.6 | -95.5 | 0 | 0 | 0 | 112.1 | Q18 M19 Q25 L26 F245 V247 | Q18-F22 WeakPolarHBondContact O-CB 3.41Å; Q18-F22 PolarHBondContact O-N 2.84Å; M19-F22 PolarHBondContact O-N 3.28Å; F22-Q25 PolarHBondContact O-N 2.89Å; F22-L26 VanDerWaalsContact O-CB 3.29Å; F22-L26 WeakPolarHBondContact O-CB 3.36Å; F22-L26 PolarHBondContact O-N 3.14Å; F22-F245 HydrophobicContact CZ-CB 4.23Å; F22-F245 HydrophobicContact CZ-CD2 4.28Å; F22-F245 HydrophobicContact CZ-CG 4.14Å; F22-V247 HydrophobicContact CZ-CG2 4.4Å |
| 23 | Q | 64.7 | Low | 70 | Confident | 13 Ų | 13 | 80 Ų | 80 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 174.7 | -70.7 | -75.6 | 33.6 | 0 | 0 | 111.8 | M19 L20 L26 I27 D284 | M19-Q23 WeakPolarHBondContact O-CG 3.41Å; M19-Q23 PolarHBondContact O-N 3.1Å; L20-Q23 PolarHBondContact O-N 2.95Å; Q23-L26 PolarHBondContact O-N 3.43Å; Q23-I27 WeakPolarHBondContact O-CB 3.22Å; Q23-I27 WeakPolarHBondContact O-CD1 3.38Å; Q23-I27 WeakPolarHBondContact O-CG1 3.47Å; Q23-I27 PolarHBondContact O-N 3.33Å; Q23-D284 PolarHBondContact NE2-OD1 3.16Å |
| 24 | Q | 73.1 | Confident | 69.1 | Low | 108 Ų | 108 | 77.8 Ų | 77.8 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 176 | -72.8 | 172.2 | 1 | 0 | 0 | 111.5 | L20 A21 L26 I27 E28 | L20-Q24 WeakPolarHBondContact O-CG 3.39Å; L20-Q24 PolarHBondContact O-N 3.29Å; A21-Q24 PolarHBondContact O-N 2.92Å; Q24-L26 VanDerWaalsContact C-N 3.28Å; Q24-L26 PolarHBondContact O-N 3.21Å; Q24-I27 PolarHBondContact O-N 2.85Å; Q24-E28 WeakPolarHBondContact O-CG 3.46Å; Q24-E28 PolarHBondContact O-N 2.77Å |
| 25 | Q | 71.8 | Confident | 68.1 | Low | 114 Ų | 114 | 79.3 Ų | 79.3 | 53% | 0.533 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -37.4 | 176.9 | -173.1 | -178 | 10.7 | 0 | 0 | 112.4 | A21 F22 T29 | A21-Q25 WeakPolarHBondContact O-CB 3.35Å; A21-Q25 PolarHBondContact O-N 3.3Å; F22-Q25 PolarHBondContact O-N 2.89Å; Q25-T29 VanDerWaalsContact O-CB 3.27Å; Q25-T29 WeakPolarHBondContact O-CB 3.41Å; Q25-T29 PolarHBondContact O-N 2.94Å; Q25-T29 PolarHBondContact O-OG1 2.95Å |
| 26 | L | 69 | Low | 67.8 | Low | 13 Ų | 13 | 79.4 Ų | 79.4 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.2 | -46 | 175.5 | 175.2 | 57.8 | 0 | 0 | 0 | 111.5 | F22 Q23 Q24 T29 V30 F245 L259 | F22-L26 VanDerWaalsContact O-CB 3.29Å; F22-L26 WeakPolarHBondContact O-CB 3.36Å; F22-L26 PolarHBondContact O-N 3.14Å; Q23-L26 PolarHBondContact O-N 3.43Å; Q24-L26 VanDerWaalsContact C-N 3.28Å; Q24-L26 PolarHBondContact O-N 3.21Å; L26-T29 PolarHBondContact O-N 2.98Å; L26-V30 HydrophobicContact CD1-CG2 4.2Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.4Å; L26-F245 HydrophobicContact CD1-CE2 3.38Å; L26-F245 HydrophobicContact CD1-CZ 3.51Å; L26-F245 HydrophobicContact CD2-CD2 4.16Å; L26-F245 HydrophobicContact CD2-CE2 3.65Å; L26-F245 HydrophobicContact CG-CE2 4.17Å; L26-L259 HydrophobicContact CD2-CB 4.34Å; L26-L259 HydrophobicContact CD2-CD2 4.05Å; L26-L259 HydrophobicContact CG-CD2 4.09Å |
| 27 | I | 69.7 | Low | 66.9 | Low | 58 Ų | 58 | 78.1 Ų | 78.1 | 30% | 0.297 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 176.3 | -68.3 | 160.2 | 0 | 0 | 0 | 109.9 | Q23 Q24 T29 V30 L31 L282 | Q23-I27 WeakPolarHBondContact O-CB 3.22Å; Q23-I27 WeakPolarHBondContact O-CD1 3.38Å; Q23-I27 WeakPolarHBondContact O-CG1 3.47Å; Q23-I27 PolarHBondContact O-N 3.33Å; Q24-I27 PolarHBondContact O-N 2.85Å; I27-T29 PolarHBondContact O-N 2.88Å; I27-V30 PolarHBondContact O-N 3.46Å; I27-L31 HydrophobicContact CG2-CD1 3.63Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 VanDerWaalsContact O-CG 3.26Å; I27-L31 WeakPolarHBondContact O-CG 3.19Å; I27-L31 PolarHBondContact O-N 2.89Å; I27-L282 HydrophobicContact CD1-CD1 3.8Å; I27-L282 HydrophobicContact CD1-CD2 4.38Å; I27-L282 HydrophobicContact CG1-CD1 3.93Å |
| 28 | E | 69.8 | Low | 65.2 | Low | 135 Ų | 135 | 74 Ų | 74 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.5 | -44.8 | 175.9 | -72.1 | -177.9 | 163.6 | 0 | 0 | 112.1 | Q24 V30 L31 D32 | Q24-E28 WeakPolarHBondContact O-CG 3.46Å; Q24-E28 PolarHBondContact O-N 2.77Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 3.19Å; E28-L31 PolarHBondContact O-N 3.03Å; E28-D32 VanDerWaalsContact O-CB 3.27Å; E28-D32 WeakPolarHBondContact O-CB 3.33Å; E28-D32 PolarHBondContact O-N 3.25Å |
| 29 | T | 70 | Confident | 63.8 | Low | 46 Ų | 46 | 74.7 Ų | 74.7 | 28% | 0.282 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.2 | -32.2 | 178.1 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | Q25 L26 I27 K33 | Q25-T29 VanDerWaalsContact O-CB 3.27Å; Q25-T29 WeakPolarHBondContact O-CB 3.41Å; Q25-T29 PolarHBondContact O-N 2.94Å; Q25-T29 PolarHBondContact O-OG1 2.95Å; L26-T29 PolarHBondContact O-N 2.98Å; I27-T29 PolarHBondContact O-N 2.88Å; T29-K33 HydrophobicContact CG2-CD 4.29Å; T29-K33 WeakPolarHBondContact O-CB 3.11Å; T29-K33 WeakPolarHBondContact O-CD 3.28Å; T29-K33 VanDerWaalsContact O-CG 3.22Å; T29-K33 WeakPolarHBondContact O-CG 3.03Å; T29-K33 PolarHBondContact O-N 2.84Å |
| 30 | V | 65.7 | Low | 62.9 | Low | 23 Ų | 23 | 80.4 Ų | 80.4 | 14% | 0.139 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -74.4 | -49.4 | 173.9 | 169.7 | 0 | 0 | 0 | 0 | 110.2 | L26 I27 E28 D32 K33 F34 I241 L259 | L26-V30 HydrophobicContact CD1-CG2 4.2Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.4Å; I27-V30 PolarHBondContact O-N 3.46Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 3.19Å; V30-D32 PolarHBondContact O-N 2.81Å; V30-K33 PolarHBondContact O-N 3.07Å; V30-F34 HydrophobicContact CG1-CD2 3.82Å; V30-F34 HydrophobicContact CG1-CE2 4.16Å; V30-F34 WeakPolarHBondContact O-CD2 3.46Å; V30-F34 PolarHBondContact O-N 3.02Å; V30-I241 HydrophobicContact CG1-CD1 4.4Å; V30-L259 HydrophobicContact CG2-CD2 4.18Å |
| 31 | L | 68.1 | Low | 61.4 | Low | 61 Ų | 61 | 83.2 Ų | 83.2 | 32% | 0.319 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | -179.3 | -66 | 169.8 | 0 | 0 | 0 | 111.8 | I27 E28 K33 F34 F35 F280 | I27-L31 HydrophobicContact CG2-CD1 3.63Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 VanDerWaalsContact O-CG 3.26Å; I27-L31 WeakPolarHBondContact O-CG 3.19Å; I27-L31 PolarHBondContact O-N 2.89Å; E28-L31 PolarHBondContact O-N 3.03Å; L31-K33 PolarHBondContact O-N 3.49Å; L31-F34 PolarHBondContact O-N 3.04Å; L31-F35 HydrophobicContact CB-CD2 4.35Å; L31-F35 HydrophobicContact CD2-CD2 4.46Å; L31-F35 HydrophobicContact CD2-CE2 3.86Å; L31-F35 VanDerWaalsContact O-CD2 3.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.4Å; L31-F35 PolarHBondContact O-N 2.92Å; L31-F280 HydrophobicContact CD2-CE1 4.02Å; L31-F280 HydrophobicContact CD2-CZ 4.35Å |
| 32 | D | 66 | Low | 59.5 | Low | 85 Ų | 85 | 84.9 Ų | 84.9 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -53 | -53.5 | 172.4 | 170.9 | 71.3 | 0 | 0 | 0 | 111 | E28 V30 F34 N36 | E28-D32 VanDerWaalsContact O-CB 3.27Å; E28-D32 WeakPolarHBondContact O-CB 3.33Å; E28-D32 PolarHBondContact O-N 3.25Å; V30-D32 PolarHBondContact O-N 2.81Å; D32-F34 VanDerWaalsContact C-N 3.28Å; D32-F34 PolarHBondContact O-N 3.04Å; D32-N36 VanDerWaalsContact O-CB 3.25Å; D32-N36 WeakPolarHBondContact O-CB 3.46Å; D32-N36 PolarHBondContact O-N 3.15Å; D32-N36 PolarHBondContact OD1-ND2 2.68Å |
| 33 | K | 64.9 | Low | 57.9 | Low | 96 Ų | 96 | 88 Ų | 88 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -29.3 | -179.3 | -74.5 | 176.7 | -177.9 | 179.5 | 0 | 113.6 | T29 V30 L31 N37 | T29-K33 HydrophobicContact CG2-CD 4.29Å; T29-K33 WeakPolarHBondContact O-CB 3.11Å; T29-K33 WeakPolarHBondContact O-CD 3.28Å; T29-K33 VanDerWaalsContact O-CG 3.22Å; T29-K33 WeakPolarHBondContact O-CG 3.03Å; T29-K33 PolarHBondContact O-N 2.84Å; V30-K33 PolarHBondContact O-N 3.07Å; L31-K33 PolarHBondContact O-N 3.49Å; K33-N37 VanDerWaalsContact O-CB 3.26Å; K33-N37 WeakPolarHBondContact O-CB 3.44Å; K33-N37 PolarHBondContact O-ND2 2.89Å |
| 34 | F | 56.3 | Low | 56.8 | Low | 80 Ų | 80 | 92.9 Ų | 92.9 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -81.1 | -48.6 | 177.3 | -90.5 | -83.2 | 0 | 0 | 0 | 112.6 | V30 L31 D32 G38 L239 I241 | V30-F34 HydrophobicContact CG1-CD2 3.82Å; V30-F34 HydrophobicContact CG1-CE2 4.16Å; V30-F34 WeakPolarHBondContact O-CD2 3.46Å; V30-F34 PolarHBondContact O-N 3.02Å; L31-F34 PolarHBondContact O-N 3.04Å; D32-F34 VanDerWaalsContact C-N 3.28Å; D32-F34 PolarHBondContact O-N 3.04Å; F34-G38 PolarHBondContact O-N 3.28Å; F34-L239 HydrophobicContact CD1-CD2 4.38Å; F34-L239 HydrophobicContact CE1-CD2 3.66Å; F34-L239 HydrophobicContact CZ-CD2 4.1Å; F34-I241 HydrophobicContact CD2-CD1 4.11Å; F34-I241 HydrophobicContact CE1-CD1 4.28Å; F34-I241 HydrophobicContact CE2-CD1 3.35Å; F34-I241 HydrophobicContact CE2-CG1 3.94Å; F34-I241 HydrophobicContact CE2-CG2 4.49Å; F34-I241 HydrophobicContact CZ-CD1 3.46Å; F34-I241 VanDerWaalsContact CZ-CD1 3.46Å; F34-I241 HydrophobicContact CZ-CG1 3.8Å |
| 35 | F | 57.6 | Low | 54.9 | Low | 129 Ų | 129 | 95.7 Ų | 95.7 | 57% | 0.566 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.2 | -39.2 | -177.5 | -70.6 | -68.6 | 0 | 0 | 0 | 112.8 | L31 G38 W263 F280 | L31-F35 HydrophobicContact CB-CD2 4.35Å; L31-F35 HydrophobicContact CD2-CD2 4.46Å; L31-F35 HydrophobicContact CD2-CE2 3.86Å; L31-F35 VanDerWaalsContact O-CD2 3.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.4Å; L31-F35 PolarHBondContact O-N 2.92Å; F35-G38 PolarHBondContact O-N 3.4Å; F35-W263 HydrophobicContact CZ-CH2 4.32Å; F35-F280 HydrophobicContact CZ-CZ 4.37Å |
| 36 | N | 57.5 | Low | 53.1 | Low | 108 Ų | 108 | 98.9 Ų | 98.9 | 58% | 0.578 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -84.4 | -24.1 | -175.8 | -64.8 | -35 | 0 | 0 | 0 | 113.9 | D32 G38 | D32-N36 VanDerWaalsContact O-CB 3.25Å; D32-N36 WeakPolarHBondContact O-CB 3.46Å; D32-N36 PolarHBondContact O-N 3.15Å; D32-N36 PolarHBondContact OD1-ND2 2.68Å; N36-G38 VanDerWaalsContact C-N 3.34Å |
| 37 | N | 53.7 | Low | 51.3 | Low | 81 Ų | 81 | 108.5 Ų | 108.5 | 43% | 0.433 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -82.8 | -8.3 | 169.6 | -64.7 | -58.8 | 0 | 0 | 0 | 113.6 | K33 A39 K40 M41 | K33-N37 VanDerWaalsContact O-CB 3.26Å; K33-N37 WeakPolarHBondContact O-CB 3.44Å; K33-N37 PolarHBondContact O-ND2 2.89Å; N37-A39 PolarHBondContact O-N 3.13Å; N37-A39 VanDerWaalsContact O-N 3.13Å; N37-K40 PolarHBondContact O-N 2.93Å; N37-M41 PolarHBondContact O-N 3.06Å |
| 38 | G | 41.5 | Very low | 49.4 | Very low | 50 Ų | 50 | 114.6 Ų | 114.6 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -56.4 | -27.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F34 F35 N36 K40 | F34-G38 PolarHBondContact O-N 3.28Å; F35-G38 PolarHBondContact O-N 3.4Å; N36-G38 VanDerWaalsContact C-N 3.34Å; G38-K40 PolarHBondContact O-N 3.09Å |
| 39 | A | 41.4 | Very low | 47.6 | Very low | 96 Ų | 96 | 114 Ų | 114 | 79% | 0.793 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -75.6 | -0.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N37 | N37-A39 PolarHBondContact O-N 3.13Å; N37-A39 VanDerWaalsContact O-N 3.13Å |
| 40 | K | 45.6 | Very low | 45.7 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -128.9 | 1.5 | -176.5 | -73.9 | -172.1 | 177.7 | 177.6 | 0 | 115.3 | N37 G38 A42 | N37-K40 PolarHBondContact O-N 2.93Å; G38-K40 PolarHBondContact O-N 3.09Å; K40-A42 PolarHBondContact O-N 3.08Å |
| 41 | M | 39.1 | Very low | 44 | Very low | 161 Ų | 161 | 123.6 Ų | 123.6 | 79% | 0.793 | 66% | 0.664 | S | S | * | * | trans | -71.6 | 83.4 | 162.8 | -71.7 | -168.1 | 177.5 | 0 | 0 | 109.1 | N37 V43 | N37-M41 PolarHBondContact O-N 3.06Å; M41-V43 PolarHBondContact O-N 3.32Å | ||
| 42 | A | 32.6 | Very low | 42.3 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -56.5 | 126.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | K40 | K40-A42 PolarHBondContact O-N 3.08Š| ||
| 43 | V | 38 | Very low | 40.7 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | trans | -52.6 | 129.4 | 174.7 | 178 | 0 | 0 | 0 | 0 | 107.8 | M41 E45 | M41-V43 PolarHBondContact O-N 3.32Å; V43-E45 PolarHBondContact O-N 3.36Å | ||
| 44 | P | 41.6 | Very low | 39.1 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | trans | -59.7 | 111.8 | 172.7 | 25 | -32.5 | 0 | 0 | 0 | 107.6 | E46 | P44-E46 PolarHBondContact O-N 2.96Š| ||
| 45 | E | 33.6 | Very low | 37.9 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | trans | -58.2 | 114.6 | -176.2 | -174.6 | 174.5 | -137.2 | 0 | 0 | 108.6 | V43 R47 | V43-E45 PolarHBondContact O-N 3.36Å; E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.14Å | ||
| 46 | E | 33 | Very low | 36.5 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -67.3 | 86.2 | -170.6 | -170.8 | 178.5 | -135.1 | 0 | 0 | 109.6 | P44 Q48 | P44-E46 PolarHBondContact O-N 2.96Å; E46-Q48 PolarHBondContact O-N 3.18Å | ||
| 47 | R | 32.7 | Very low | 35.3 | Very low | 215 Ų | 215 | 136.6 Ų | 136.6 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -63.4 | 107.2 | -179.9 | -60.5 | -159.4 | -137.7 | -101.7 | 8 | 108.1 | E45 V49 | E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.14Å; R47-V49 PolarHBondContact O-N 3.37Å | ||
| 48 | Q | 27.8 | Very low | 34.1 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -54.7 | 110.1 | 179.7 | -68.5 | -173 | -24.9 | 0 | 0 | 110.2 | E46 E50 | E46-Q48 PolarHBondContact O-N 3.18Å; Q48-E50 PolarHBondContact O-N 3.19Å; Q48-E50 VanDerWaalsContact O-N 3.16Å | ||
| 49 | V | 32.2 | Very low | 33.7 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -71 | 109.3 | 170.7 | 176.5 | 0 | 0 | 0 | 0 | 107.3 | R47 G51 | R47-V49 PolarHBondContact O-N 3.37Å; V49-G51 PolarHBondContact O-N 3.07Å | ||
| 50 | E | 31 | Very low | 33.1 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 95.3 | -176.1 | -169.4 | 170.9 | -174.2 | 0 | 0 | 110.5 | Q48 | Q48-E50 PolarHBondContact O-N 3.19Å; Q48-E50 VanDerWaalsContact O-N 3.16Å |
| 51 | G | 30.6 | Very low | 32.3 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 167.4 | -22.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | V49 | V49-G51 PolarHBondContact O-N 3.07Š|
| 52 | S | 30.8 | Very low | 32.1 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -84.3 | 126.6 | -174.8 | -66.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 53 | I | 32.2 | Very low | 31.9 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 72% | 0.723 | 81% | 0.806 | S | S | * | * | trans | -75.3 | 126.7 | -178.1 | -60 | 168.7 | 0 | 0 | 0 | 110.4 | F55 | I53-F55 PolarHBondContact O-N 3.22Š| ||
| 54 | P | 31.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -74.5 | 115.1 | 176.8 | 29.1 | -33.5 | 0 | 0 | 0 | 111.6 | I56 | P54-I56 PolarHBondContact O-N 3.15Š| ||
| 55 | F | 32.3 | Very low | 31 | Very low | 205 Ų | 205 | 150.8 Ų | 150.8 | 90% | 0.899 | 81% | 0.81 | S | S | * | * | trans | -73.4 | 115.9 | 172.3 | -80 | -90.2 | 0 | 0 | 0 | 111.1 | I53 | I53-F55 PolarHBondContact O-N 3.22Š| ||
| 56 | I | 26.9 | Very low | 30.9 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -81.7 | 122.1 | 175.9 | -59.6 | 167.7 | 0 | 0 | 0 | 109.5 | P54 | P54-I56 PolarHBondContact O-N 3.15Š| ||
| 57 | S | 33.5 | Very low | 30.7 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -106.8 | 97.5 | 173.2 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | G59 | S57-G59 VanDerWaalsContact C-N 3.34Å; S57-G59 PolarHBondContact O-N 2.75Å | ||
| 58 | D | 27.2 | Very low | 30.7 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | -79 | 76 | -177.8 | -125 | -37.4 | 0 | 0 | 0 | 111.5 | ||||
| 59 | G | 33.4 | Very low | 30.9 | Very low | 67 Ų | 67 | 137.2 Ų | 137.2 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -109.6 | 73 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S57 C61 | S57-G59 VanDerWaalsContact C-N 3.34Å; S57-G59 PolarHBondContact O-N 2.75Å; G59-C61 PolarHBondContact O-N 2.97Å; G59-C61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | K | 28.9 | Very low | 31 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -62.6 | 110.4 | 177.7 | -80.9 | 171 | 177.9 | 153.7 | 0 | 113.3 | ||||
| 61 | C | 29.3 | Very low | 31 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -122 | 153.9 | 153.1 | -159.1 | 0 | 0 | 0 | 0 | 110.7 | G59 | G59-C61 PolarHBondContact O-N 2.97Å; G59-C61 VanDerWaalsContact O-N 3.13Å | ||
| 62 | K | 35.2 | Very low | 31.3 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -102.9 | 135.6 | -163.5 | -64.8 | 175 | -178 | 173.8 | 0 | 112 | G64 | K62-G64 PolarHBondContact O-N 3.31Š| ||
| 63 | I | 27.6 | Very low | 31.7 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -65.9 | 118.9 | 174.8 | -160.4 | 75.1 | 0 | 0 | 0 | 110.4 | ||||
| 64 | G | 32 | Very low | 32 | Very low | 72 Ų | 72 | 145.5 Ų | 145.5 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -105.2 | 114.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K62 | K62-G64 PolarHBondContact O-N 3.31Š| ||
| 65 | K | 29.8 | Very low | 32 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -79.1 | 122.9 | 174.7 | -67.7 | -174.9 | 177.9 | -173.8 | 0 | 110.7 | ||||
| 66 | L | 31.4 | Very low | 32.2 | Very low | 182 Ų | 182 | 143 Ų | 143 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | trans | -137 | 157.3 | 150.6 | -74.3 | -179.9 | 0 | 0 | 0 | 108.8 | ||||
| 67 | A | 29.1 | Very low | 32.6 | Very low | 111 Ų | 111 | 143 Ų | 143 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -138.5 | 161.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 68 | G | 31.1 | Very low | 32.8 | Very low | 61 Ų | 61 | 140.8 Ų | 140.8 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | trans | 136.3 | 107.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 69 | S | 33.4 | Very low | 33.1 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | 64.9 | 123.9 | 88.8 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 70 | E | 33.9 | Very low | 33.5 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | cis | -148.9 | 156.1 | 24.7 | -150.1 | 146.5 | 98.7 | 0 | 0 | 111.2 | ||||
| 71 | Q | 31.2 | Very low | 33.8 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -135.4 | 123.9 | 172.9 | -85.1 | -169.3 | -30.9 | 0 | 0 | 109.8 | ||||
| 72 | D | 36.2 | Very low | 34 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -124.4 | 93.5 | 164.5 | -98.8 | -32.4 | 0 | 0 | 0 | 109 | ||||
| 73 | N | 38.9 | Very low | 34.1 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -104.8 | 136.9 | 169.4 | -84 | -28.1 | 0 | 0 | 0 | 109.2 | L75 | N73-L75 PolarHBondContact O-N 3.38Š| ||
| 74 | I | 38.1 | Very low | 34.6 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -77.5 | 116 | -163.2 | -62.7 | 171.6 | 0 | 0 | 0 | 112.7 | ||||
| 75 | L | 33.2 | Very low | 35.1 | Very low | 144 Ų | 144 | 140 Ų | 140 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 1.5 | 123.3 | 153.9 | -169.7 | 77.3 | 0 | 0 | 0 | 119.1 | N73 | N73-L75 PolarHBondContact O-N 3.38Š| ||
| 76 | P | 35.7 | Very low | 35.8 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -96.4 | 139.1 | 149.8 | 34.4 | -28.9 | 0 | 0 | 0 | 112.5 | ||||
| 77 | N | 34.6 | Very low | 36.5 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -90 | 153.9 | 169.5 | -154.7 | 21.8 | 0 | 0 | 0 | 108.1 | ||||
| 78 | A | 37.7 | Very low | 37.5 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 57% | 0.57 | 77% | 0.767 | S | S | * | * | cis | -156.9 | 164.6 | 11.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 79 | H | 35.2 | Very low | 38.1 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | 51.5 | 103.7 | 145.5 | -109.9 | -75.2 | 0 | 0 | 0 | 121 | ||||
| 80 | E | 40.8 | Very low | 38.9 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -146.6 | 146.3 | 136 | -170 | 161.4 | -153.3 | 0 | 0 | 109.5 | ||||
| 81 | T | 35.8 | Very low | 39.3 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | -125.4 | 119.7 | -175.3 | -45.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 82 | V | 33.7 | Very low | 39.7 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | -76.3 | 138.7 | -172.7 | 173.4 | 0 | 0 | 0 | 0 | 113.5 | V84 | V82-V84 HydrophobicContact CG1-CG2 3.7Š| ||
| 83 | T | 37.6 | Very low | 40 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -132 | 152.5 | 145.1 | 38.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 84 | V | 36.5 | Very low | 40.4 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | trans | -118.4 | 142.8 | -160.7 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | V82 | V82-V84 HydrophobicContact CG1-CG2 3.7Š| ||
| 85 | S | 43.4 | Very low | 40.8 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 173 | 158.5 | 141.3 | -72.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 86 | D | 44.7 | Very low | 41.7 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | cis | -165.2 | 177.2 | -48.2 | -144.7 | -33.4 | 0 | 0 | 0 | 109 | ||||
| 87 | E | 46.9 | Very low | 42.1 | Very low | 149 Ų | 149 | 134 Ų | 134 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 72.8 | 115.5 | 161.8 | -60.4 | -163.6 | 117.2 | 0 | 0 | 123.1 | ||||
| 88 | Q | 48 | Very low | 42.3 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | trans | 65.8 | 119.6 | 133.1 | -63.5 | -171.7 | 62.1 | 0 | 0 | 121 | ||||
| 89 | E | 45.4 | Very low | 42.3 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | 61.1 | 136.2 | 93.7 | -68.6 | -161.3 | -152 | 0 | 0 | 115.1 | |||||
| 90 | K | 49.4 | Very low | 43 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | cis | -158.9 | 172.6 | 33.4 | -149.3 | 174.4 | -175.4 | 80.8 | 0 | 115.1 | ||||
| 91 | E | 41.7 | Very low | 42.8 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -47.1 | 161.7 | -179.3 | -53.7 | 159.4 | 115.8 | 0 | 0 | 119 | ||||
| 92 | G | 41.2 | Very low | 43.2 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -179.2 | 88.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 93 | S | 42.6 | Very low | 43.5 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -1.4 | 118.2 | 156.5 | -157.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 94 | A | 46.7 | Very low | 43.7 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | 69.4 | 119.8 | 65.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 95 | D | 46.3 | Very low | 43.7 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -174.7 | 105.9 | 133 | -100.8 | -20.6 | 0 | 0 | 0 | 115 | ||||
| 96 | N | 51 | Low | 43.4 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 17.7 | 165 | 145.6 | -82.4 | -24 | 0 | 0 | 0 | 126.4 | ||||
| 97 | P | 45.1 | Very low | 43.2 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | trans | -118.2 | 177.7 | -156.3 | 44.3 | -34.8 | 0 | 0 | 0 | 116.1 | ||||
| 98 | L | 39.7 | Very low | 42.5 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | trans | -158.6 | 161.2 | 134.2 | -134.7 | 72.4 | 0 | 0 | 0 | 112.7 | ||||
| 99 | S | 36.7 | Very low | 42.2 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -125.7 | -166.7 | 170.6 | -42.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 100 | P | 48.9 | Very low | 42 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | cis | -126.2 | -158.9 | -19.3 | 40.3 | -22.3 | 0 | 0 | 0 | 110.9 | ||||
| 101 | E | 37.4 | Very low | 41.1 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | 174.1 | 172 | 116.3 | -164.1 | 152.7 | 127.4 | 0 | 0 | 111.9 | |||||
| 102 | S | 44.1 | Very low | 41.3 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -62.8 | -178.2 | -178.6 | 73.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 103 | N | 40.3 | Very low | 41 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | -152.7 | -167.9 | 11.1 | 53.9 | 2 | 0 | 0 | 0 | 109.4 | ||||
| 104 | E | 42.9 | Very low | 40.6 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | cis | -139.7 | -169.9 | 8 | -66.1 | -166.3 | 138.9 | 0 | 0 | 111.9 | ||||
| 105 | T | 34.5 | Very low | 40.2 | Very low | 136 Ų | 136 | 137 Ų | 137 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -166.8 | 155.7 | 176.5 | -75.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 106 | P | 38.7 | Very low | 39.5 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | cis | -122.6 | -173.9 | -4.9 | 39.1 | -23.4 | 0 | 0 | 0 | 114.1 | ||||
| 107 | L | 40.1 | Very low | 38.4 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -166.5 | 163.5 | 145.5 | -106.9 | 162.5 | 0 | 0 | 0 | 112.3 | ||||
| 108 | S | 31.6 | Very low | 37.8 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -141.8 | 179.8 | -169.9 | -47.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 109 | P | 42.9 | Very low | 37.2 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | cis | -107.6 | -95.7 | -7.2 | 18.9 | 5.7 | 0 | 0 | 0 | 112.7 | ||||
| 110 | P | 40.3 | Very low | 37 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | cis | -106.5 | -142.1 | 2.4 | 44 | -33.9 | 0 | 0 | 0 | 113.1 | ||||
| 111 | I | 30.9 | Very low | 35.8 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -133.8 | 143.4 | 178.4 | -46.6 | 168.6 | 0 | 0 | 0 | 108.4 | ||||
| 112 | S | 46.3 | Very low | 35.3 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -158.7 | 112.8 | 161.8 | 61 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 113 | D | 33.5 | Very low | 34.3 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -72.8 | 139 | 163.6 | -51.7 | -82.6 | 0 | 0 | 0 | 110 | ||||
| 114 | D | 34.5 | Very low | 33.7 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | -179.4 | 170 | 111 | -137.9 | -27.3 | 0 | 0 | 0 | 113.1 | |||||
| 115 | K | 37.9 | Very low | 32.9 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 73% | 0.726 | 79% | 0.792 | S | S | * | * | trans | 82.5 | 118 | 155.6 | -88.6 | -167.5 | 172.9 | -176.3 | 0 | 123.1 | ||||
| 116 | L | 33.2 | Very low | 32.6 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | 75.5 | 97.4 | 142.9 | -55.6 | -179.4 | 0 | 0 | 0 | 117.7 | ||||
| 117 | T | 26.8 | Very low | 32.1 | Very low | 124 Ų | 124 | 149 Ų | 149 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | 98.4 | 89.3 | 56.7 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 118 | S | 33.6 | Very low | 31.8 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -158.1 | 104.1 | 133.6 | 50.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 119 | E | 27.1 | Very low | 31.8 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | 47.3 | 82 | 92.5 | -67.1 | -161.8 | 120.3 | 0 | 0 | 114.2 | |||||
| 120 | Q | 31.2 | Very low | 31.2 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | -155.1 | 116.3 | 108.5 | -104.1 | -179.8 | 15.6 | 0 | 0 | 111.2 | |||||
| 121 | N | 24.9 | Very low | 30.9 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -78.7 | 129.2 | 167.7 | -90.2 | -69.7 | 0 | 0 | 0 | 109.3 | ||||
| 122 | Y | 26.2 | Very low | 30.9 | Very low | 238 Ų | 238 | 148.5 Ų | 148.5 | 93% | 0.933 | 77% | 0.765 | S | S | * | * | trans | -144.2 | 117.5 | 133.8 | -95.7 | -69.2 | 0 | 0 | 0 | 110 | ||||
| 123 | S | 23.8 | Very low | 30.3 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | trans | -93.5 | 118.6 | 178.6 | 167.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 124 | L | 26.3 | Very low | 30.7 | Very low | 158 Ų | 158 | 150 Ų | 150 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -125.4 | 81.4 | 163.8 | -160.6 | 127.1 | 0 | 0 | 0 | 109.6 | ||||
| 125 | R | 27.4 | Very low | 31 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -86.5 | 151 | 171.5 | -63.7 | -176.2 | -178.4 | -94.1 | 0.2 | 110.1 | V127 | R125-V127 PolarHBondContact O-N 2.98Š| ||
| 126 | D | 27.9 | Very low | 31.2 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 84% | 0.84 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 61.6 | 41.8 | 151.8 | -47.7 | -28.5 | 0 | 0 | 0 | 118.4 | ||
| 127 | V | 27.7 | Very low | 31.7 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 79% | 0.788 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -134.5 | 116.2 | 160.7 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | R125 | R125-V127 PolarHBondContact O-N 2.98Š|
| 128 | G | 33.2 | Very low | 32.4 | Very low | 51 Ų | 51 | 137.6 Ų | 137.6 | 53% | 0.526 | 70% | 0.696 | S | S | . | * | S | Bend | trans | 122.1 | -30.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118 | E130 N131 | G128-E130 PolarHBondContact O-N 3.49Å; G128-N131 PolarHBondContact O-N 2.94Å |
| 129 | Q | 31.7 | Very low | 32.9 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -7.4 | -168.3 | -156.8 | -179.7 | 6.4 | 0 | 0 | 115.4 | W132 | Q129-W132 PolarHBondContact O-NE1 3.49Š|
| 130 | E | 31.1 | Very low | 33.8 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -14 | -178.7 | -154.2 | 174.6 | -157.5 | 0 | 0 | 114.3 | G128 | G128-E130 PolarHBondContact O-N 3.49Š|
| 131 | N | 34.7 | Very low | 34 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -23.8 | -174.9 | -87.5 | -24.6 | 0 | 0 | 0 | 115 | G128 K133 K134 | G128-N131 PolarHBondContact O-N 2.94Å; N131-K133 VanDerWaalsContact C-N 3.31Å; N131-K133 PolarHBondContact O-N 2.98Å; N131-K134 PolarHBondContact O-N 3.16Å |
| 132 | W | 29.6 | Very low | 34.7 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 56% | 0.557 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.2 | -38.1 | -176.3 | 65.7 | -89.1 | 0 | 0 | 0 | 112.8 | Q129 K134 A135 | Q129-W132 PolarHBondContact O-NE1 3.49Å; W132-K134 PolarHBondContact O-N 3.34Å; W132-A135 PolarHBondContact O-N 3.2Å |
| 133 | K | 34.5 | Very low | 35.5 | Very low | 135 Ų | 135 | 118.7 Ų | 118.7 | 59% | 0.587 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.2 | -14.8 | 176.3 | -66.5 | -162.9 | 173.5 | -163.6 | 0 | 114.6 | N131 | N131-K133 VanDerWaalsContact C-N 3.31Å; N131-K133 PolarHBondContact O-N 2.98Å |
| 134 | K | 41.5 | Very low | 36.4 | Very low | 162 Ų | 162 | 117.1 Ų | 117.1 | 70% | 0.704 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -93.4 | -19.7 | 175.5 | -67 | 174.7 | -177.4 | 162.8 | 0 | 113.4 | N131 W132 | N131-K134 PolarHBondContact O-N 3.16Å; W132-K134 PolarHBondContact O-N 3.34Å |
| 135 | A | 40.3 | Very low | 37 | Very low | 48 Ų | 48 | 110.4 Ų | 110.4 | 40% | 0.397 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -82.8 | -31.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | W132 | W132-A135 PolarHBondContact O-N 3.2Å |
| 136 | C | 41.7 | Very low | 37.7 | Very low | 29 Ų | 29 | 106.2 Ų | 106.2 | 20% | 0.196 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -127.2 | 98.2 | -179.7 | -77.4 | 0 | 0 | 0 | 0 | 110.4 | E138 | C136-E138 PolarHBondContact O-N 3.24Š|
| 137 | P | 44.8 | Very low | 38.6 | Very low | 84 Ų | 84 | 105 Ų | 105 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | trans | -63.1 | 131.9 | 173.1 | 26 | -32.9 | 0 | 0 | 0 | 110.6 | N139 | P137-N139 PolarHBondContact O-N 3.41Š| ||
| 138 | E | 41.3 | Very low | 39.3 | Very low | 164 Ų | 164 | 100.8 Ų | 100.8 | 77% | 0.766 | 52% | 0.515 | S | S | * | . | trans | -92.3 | 70.3 | -171.8 | -169.9 | 167.7 | -144.8 | 0 | 0 | 110.2 | C136 | C136-E138 PolarHBondContact O-N 3.24Š| ||
| 139 | N | 44.5 | Very low | 39.6 | Very low | 131 Ų | 131 | 100.5 Ų | 100.5 | 70% | 0.701 | 50% | 0.502 | S | S | * | . | trans | -150.5 | 153.8 | 177.6 | 50.8 | 57.9 | 0 | 0 | 0 | 115.4 | P137 W141 | P137-N139 PolarHBondContact O-N 3.41Å; N139-W141 PolarHBondContact O-N 3.15Å | ||
| 140 | N | 46.4 | Very low | 39.9 | Very low | 93 Ų | 93 | 95.6 Ų | 95.6 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | trans | 65.4 | 15.4 | 166.5 | -156.1 | 59 | 0 | 0 | 0 | 118.7 | N142 N143 T144 | N140-N142 PolarHBondContact O-N 3.41Å; N140-N143 PolarHBondContact ND2-ND2 3.28Å; N140-N143 PolarHBondContact O-N 3.39Å; N140-N143 WeakPolarHBondContact OD1-CB 3.23Å; N140-N143 PolarHBondContact OD1-ND2 3.06Å; N140-T144 PolarHBondContact O-N 3.06Å; N140-T144 PolarHBondContact O-OG1 3.27Å | ||
| 141 | W | 34.5 | Very low | 40.1 | Very low | 86 Ų | 86 | 91 Ų | 91 | 33% | 0.326 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -50.1 | -55.7 | 179.2 | 178.4 | -111.3 | 0 | 0 | 0 | 114.1 | N139 N143 T144 V145 F240 S242 I258 | N139-W141 PolarHBondContact O-N 3.15Å; W141-N143 PolarHBondContact O-N 3.4Å; W141-N143 VanDerWaalsContact O-N 3.15Å; W141-T144 PolarHBondContact O-N 3.31Å; W141-V145 HydrophobicContact CD2-CG2 3.93Å; W141-V145 HydrophobicContact CE3-CG2 4.4Å; W141-V145 HydrophobicContact CH2-CG2 3.9Å; W141-V145 HydrophobicContact CZ2-CG2 3.33Å; W141-V145 HydrophobicContact CZ3-CG2 4.4Å; W141-V145 PolarHBondContact O-N 3.29Å; W141-V145 VanDerWaalsContact O-N 3.08Å; W141-F240 HydrophobicContact CZ2-CE1 4.44Å; W141-S242 WeakPolarHBondContact CZ2-OG 3.44Å; W141-I258 HydrophobicContact CH2-CD1 3.97Å; W141-I258 HydrophobicContact CH2-CG1 4.15Å; W141-I258 HydrophobicContact CH2-CG2 4.16Å; W141-I258 HydrophobicContact CZ3-CD1 3.9Å; W141-I258 HydrophobicContact CZ3-CG1 4.33Å |
| 142 | N | 39.1 | Very low | 40.3 | Very low | 106 Ų | 106 | 86.9 Ų | 86.9 | 57% | 0.567 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -57.9 | -34.4 | -174.9 | -60.8 | 13.8 | 0 | 0 | 0 | 112.7 | N140 N146 | N140-N142 PolarHBondContact O-N 3.41Å; N142-N146 WeakPolarHBondContact O-CB 3.29Å; N142-N146 PolarHBondContact O-N 3.25Å; N142-N146 PolarHBondContact O-ND2 2.91Å; N142-N146 PolarHBondContact O-OD1 3.06Å |
| 143 | N | 43.2 | Very low | 40.6 | Very low | 71 Ų | 71 | 84 Ų | 84 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 178.7 | -177.6 | 0.1 | 0 | 0 | 0 | 111.5 | N140 W141 Q147 | N140-N143 PolarHBondContact ND2-ND2 3.28Å; N140-N143 PolarHBondContact O-N 3.39Å; N140-N143 WeakPolarHBondContact OD1-CB 3.23Å; N140-N143 PolarHBondContact OD1-ND2 3.06Å; W141-N143 PolarHBondContact O-N 3.4Å; W141-N143 VanDerWaalsContact O-N 3.15Å; N143-Q147 WeakPolarHBondContact O-CG 3.19Å; N143-Q147 PolarHBondContact O-N 3.08Å; N143-Q147 VanDerWaalsContact O-N 3.07Å; N143-Q147 PolarHBondContact OD1-NE2 3.18Å |
| 144 | T | 42.1 | Very low | 40.7 | Very low | 58 Ų | 58 | 84.7 Ų | 84.7 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | N140 W141 Q147 I148 | N140-T144 PolarHBondContact O-N 3.06Å; N140-T144 PolarHBondContact O-OG1 3.27Å; W141-T144 PolarHBondContact O-N 3.31Å; T144-Q147 PolarHBondContact O-N 2.92Å; T144-I148 HydrophobicContact CG2-CD1 3.95Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 2.91Å |
| 145 | V | 39.5 | Very low | 40.5 | Very low | 17 Ų | 17 | 81.8 Ų | 81.8 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 177.3 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | W141 Q147 I148 V149 F240 | W141-V145 HydrophobicContact CD2-CG2 3.93Å; W141-V145 HydrophobicContact CE3-CG2 4.4Å; W141-V145 HydrophobicContact CH2-CG2 3.9Å; W141-V145 HydrophobicContact CZ2-CG2 3.33Å; W141-V145 HydrophobicContact CZ3-CG2 4.4Å; W141-V145 PolarHBondContact O-N 3.29Å; W141-V145 VanDerWaalsContact O-N 3.08Å; V145-Q147 PolarHBondContact O-N 2.9Å; V145-Q147 VanDerWaalsContact O-N 3.15Å; V145-I148 PolarHBondContact O-N 3.33Å; V145-V149 HydrophobicContact CG1-CG2 3.96Å; V145-V149 WeakPolarHBondContact O-CG2 3.27Å; V145-V149 PolarHBondContact O-N 2.96Å; V145-F240 HydrophobicContact CG1-CE1 3.78Å; V145-F240 HydrophobicContact CG1-CE2 4.29Å; V145-F240 HydrophobicContact CG1-CZ 3.67Å; V145-F240 HydrophobicContact CG2-CE1 4.25Å; V145-F240 HydrophobicContact CG2-CZ 4.17Å |
| 146 | N | 43.1 | Very low | 40.4 | Very low | 109 Ų | 109 | 83.8 Ų | 83.8 | 58% | 0.583 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.4 | -13.6 | -179.8 | -66.8 | -0.1 | 0 | 0 | 0 | 113.7 | N142 P150 | N142-N146 WeakPolarHBondContact O-CB 3.29Å; N142-N146 PolarHBondContact O-N 3.25Å; N142-N146 PolarHBondContact O-ND2 2.91Å; N142-N146 PolarHBondContact O-OD1 3.06Å; N146-P150 WeakPolarHBondContact O-CD 3.31Å; N146-P150 VanDerWaalsContact O-CG 3.28Å; N146-P150 WeakPolarHBondContact O-CG 3.47Å |
| 147 | Q | 46.3 | Very low | 40.2 | Very low | 131 Ų | 131 | 85.5 Ų | 85.5 | 61% | 0.612 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -92.6 | -29.7 | 168.1 | -75.5 | -171.3 | 68.7 | 0 | 0 | 113.5 | N143 T144 V145 N151 | N143-Q147 WeakPolarHBondContact O-CG 3.19Å; N143-Q147 PolarHBondContact O-N 3.08Å; N143-Q147 VanDerWaalsContact O-N 3.07Å; N143-Q147 PolarHBondContact OD1-NE2 3.18Å; T144-Q147 PolarHBondContact O-N 2.92Å; V145-Q147 PolarHBondContact O-N 2.9Å; V145-Q147 VanDerWaalsContact O-N 3.15Å; Q147-N151 WeakPolarHBondContact O-CB 3.36Å |
| 148 | I | 41.6 | Very low | 39.6 | Very low | 43 Ų | 43 | 89 Ų | 89 | 22% | 0.221 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -71.6 | -48.1 | 175.4 | -68.6 | 166 | 0 | 0 | 0 | 110.6 | T144 V145 N151 V152 I260 | T144-I148 HydrophobicContact CG2-CD1 3.95Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 2.91Å; V145-I148 PolarHBondContact O-N 3.33Å; I148-N151 PolarHBondContact O-N 3.3Å; I148-N151 VanDerWaalsContact O-N 3.08Å; I148-V152 HydrophobicContact CG2-CG2 3.89Å; I148-V152 WeakPolarHBondContact O-CG2 3.49Å; I148-V152 PolarHBondContact O-N 2.88Å; I148-I260 HydrophobicContact CG2-CD1 4Å |
| 149 | V | 39.2 | Very low | 39.2 | Very low | 44 Ų | 44 | 86.2 Ų | 86.2 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.8 | -53.3 | -173.4 | 167.4 | 0 | 0 | 0 | 0 | 112.8 | V145 N151 I153 | V145-V149 HydrophobicContact CG1-CG2 3.96Å; V145-V149 WeakPolarHBondContact O-CG2 3.27Å; V145-V149 PolarHBondContact O-N 2.96Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.47Å; V149-I153 HydrophobicContact CG1-CD1 3.74Å; V149-I153 WeakPolarHBondContact O-CB 3.41Å; V149-I153 WeakPolarHBondContact O-CD1 3.27Å; V149-I153 VanDerWaalsContact O-CG1 3.23Å; V149-I153 WeakPolarHBondContact O-CG1 3.36Å; V149-I153 PolarHBondContact O-N 3.36Å; V149-I153 VanDerWaalsContact O-N 3.09Å |
| 150 | P | 39.3 | Very low | 38.5 | Very low | 73 Ų | 73 | 86.4 Ų | 86.4 | 47% | 0.474 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.3 | -28.1 | 179 | -19.2 | 33 | 0 | 0 | 0 | 113.3 | N146 R154 | N146-P150 WeakPolarHBondContact O-CD 3.31Å; N146-P150 VanDerWaalsContact O-CG 3.28Å; N146-P150 WeakPolarHBondContact O-CG 3.47Å; P150-R154 VanDerWaalsContact O-CB 3.22Å; P150-R154 WeakPolarHBondContact O-CB 3.44Å; P150-R154 PolarHBondContact O-N 2.9Å |
| 151 | N | 35.8 | Very low | 37.6 | Very low | 70 Ų | 70 | 88.7 Ų | 88.7 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.1 | -38.9 | -175.6 | -155.4 | 23.5 | 0 | 0 | 0 | 111.3 | Q147 I148 V149 R154 N155 | Q147-N151 WeakPolarHBondContact O-CB 3.36Å; I148-N151 PolarHBondContact O-N 3.3Å; I148-N151 VanDerWaalsContact O-N 3.08Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.47Å; N151-R154 PolarHBondContact OD1-NH2 2.88Å; N151-N155 WeakPolarHBondContact O-CB 3.37Å; N151-N155 PolarHBondContact O-N 2.94Å; N151-N155 PolarHBondContact O-ND2 2.9Å; N151-N155 PolarHBondContact O-OD1 3.07Å |
| 152 | V | 37.3 | Very low | 37.3 | Very low | 24 Ų | 24 | 93 Ų | 93 | 15% | 0.145 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 169.3 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | I148 R154 N155 H156 F262 | I148-V152 HydrophobicContact CG2-CG2 3.89Å; I148-V152 WeakPolarHBondContact O-CG2 3.49Å; I148-V152 PolarHBondContact O-N 2.88Å; V152-R154 PolarHBondContact O-N 3.39Å; V152-N155 PolarHBondContact O-N 3.43Å; V152-H156 PolarHBondContact O-CD2 2.96Å; V152-H156 PolarHBondContact O-N 2.94Å; V152-F262 HydrophobicContact CB-CZ 4.36Å; V152-F262 HydrophobicContact CG1-CE2 3.82Å; V152-F262 HydrophobicContact CG1-CZ 3.75Å |
| 153 | I | 36.3 | Very low | 37 | Very low | 87 Ų | 87 | 94.8 Ų | 94.8 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 178.1 | -69.4 | 168.1 | 0 | 0 | 0 | 111.5 | V149 H156 G157 | V149-I153 HydrophobicContact CG1-CD1 3.74Å; V149-I153 WeakPolarHBondContact O-CB 3.41Å; V149-I153 WeakPolarHBondContact O-CD1 3.27Å; V149-I153 VanDerWaalsContact O-CG1 3.23Å; V149-I153 WeakPolarHBondContact O-CG1 3.36Å; V149-I153 PolarHBondContact O-N 3.36Å; V149-I153 VanDerWaalsContact O-N 3.09Å; I153-H156 PolarHBondContact O-N 2.83Å; I153-G157 PolarHBondContact O-N 3.07Å; I153-G157 VanDerWaalsContact O-N 3.14Å |
| 154 | R | 36.9 | Very low | 36.4 | Very low | 149 Ų | 149 | 100.3 Ų | 100.3 | 56% | 0.562 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61 | -48.3 | 177.5 | 178 | 174.5 | 61.3 | -176 | -2.8 | 112.2 | P150 N151 V152 H156 G157 | P150-R154 VanDerWaalsContact O-CB 3.22Å; P150-R154 WeakPolarHBondContact O-CB 3.44Å; P150-R154 PolarHBondContact O-N 2.9Å; N151-R154 PolarHBondContact OD1-NH2 2.88Å; V152-R154 PolarHBondContact O-N 3.39Å; R154-H156 PolarHBondContact O-N 2.93Å; R154-G157 PolarHBondContact O-N 2.93Å |
| 155 | N | 36.5 | Very low | 35.9 | Very low | 100 Ų | 100 | 100.2 Ų | 100.2 | 54% | 0.535 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.1 | -17.9 | -176.4 | -64.9 | -7 | 0 | 0 | 0 | 113.1 | N151 V152 | N151-N155 WeakPolarHBondContact O-CB 3.37Å; N151-N155 PolarHBondContact O-N 2.94Å; N151-N155 PolarHBondContact O-ND2 2.9Å; N151-N155 PolarHBondContact O-OD1 3.07Å; V152-N155 PolarHBondContact O-N 3.43Å |
| 156 | H | 39.8 | Very low | 36.1 | Very low | 91 Ų | 91 | 104.6 Ų | 104.6 | 42% | 0.421 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -95.5 | -9.9 | 171.1 | -64.1 | -52.7 | 0 | 0 | 0 | 114.1 | V152 I153 R154 | V152-H156 PolarHBondContact O-CD2 2.96Å; V152-H156 PolarHBondContact O-N 2.94Å; I153-H156 PolarHBondContact O-N 2.83Å; R154-H156 PolarHBondContact O-N 2.93Å |
| 157 | G | 35.8 | Very low | 35.5 | Very low | 65 Ų | 65 | 109.3 Ų | 109.3 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -81.3 | -13 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I153 R154 | I153-G157 PolarHBondContact O-N 3.07Å; I153-G157 VanDerWaalsContact O-N 3.14Å; R154-G157 PolarHBondContact O-N 2.93Å |
| 158 | E | 32.7 | Very low | 35.1 | Very low | 156 Ų | 156 | 109.4 Ų | 109.4 | 73% | 0.729 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 3.6 | -179.2 | -64.6 | -178.8 | -178.3 | 0 | 0 | 113.3 | E160 | E158-E160 PolarHBondContact O-N 3.36Š|
| 159 | T | 32.7 | Very low | 35.2 | Very low | 107 Ų | 107 | 114.7 Ų | 114.7 | 66% | 0.656 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -69.3 | 113.6 | 172.6 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | V161 | T159-V161 PolarHBondContact O-N 3.18Š|
| 160 | E | 30.1 | Very low | 35.3 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | trans | -53.4 | 129.9 | -172.2 | -59 | -178 | 128.5 | 0 | 0 | 113.6 | E158 Y162 | E158-E160 PolarHBondContact O-N 3.36Å; E160-Y162 VanDerWaalsContact C-N 3.29Å; E160-Y162 HydrophobicContact CB-CD2 3.94Å; E160-Y162 HydrophobicContact CB-CE2 3.6Å; E160-Y162 HydrophobicContact CG-CE2 4.37Å; E160-Y162 PolarHBondContact O-N 3.31Å; E160-Y162 WeakPolarHBondContact OE2-CE2 3.26Å; E160-Y162 VanDerWaalsContact OE2-CZ 3.25Å; E160-Y162 PolarHBondContact OE2-OH 2.71Å | ||
| 161 | V | 28.5 | Very low | 35.6 | Very low | 142 Ų | 142 | 122 Ų | 122 | 86% | 0.861 | 65% | 0.649 | S | S | * | * | trans | -73.8 | 84.3 | 172.6 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | T159 N163 | T159-V161 PolarHBondContact O-N 3.18Å; V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 3.38Å | ||
| 162 | Y | 28.2 | Very low | 35.7 | Very low | 177 Ų | 177 | 125 Ų | 125 | 69% | 0.694 | 67% | 0.665 | S | S | * | * | trans | -66.8 | 88.9 | 167.6 | -80.4 | -82 | 0 | 0 | 0 | 109.9 | E160 M164 | E160-Y162 VanDerWaalsContact C-N 3.29Å; E160-Y162 HydrophobicContact CB-CD2 3.94Å; E160-Y162 HydrophobicContact CB-CE2 3.6Å; E160-Y162 HydrophobicContact CG-CE2 4.37Å; E160-Y162 PolarHBondContact O-N 3.31Å; E160-Y162 WeakPolarHBondContact OE2-CE2 3.26Å; E160-Y162 VanDerWaalsContact OE2-CZ 3.25Å; E160-Y162 PolarHBondContact OE2-OH 2.71Å; Y162-M164 PolarHBondContact O-N 2.92Å | ||
| 163 | N | 32.7 | Very low | 35.9 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | trans | -52.3 | 103.7 | 175.3 | 175.4 | 22.6 | 0 | 0 | 0 | 110.9 | V161 G165 | V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 3.38Å; N163-G165 PolarHBondContact O-N 2.85Å; N163-G165 PolarHBondContact OD1-N 3.42Å | ||
| 164 | M | 30.2 | Very low | 36.2 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 93% | 0.926 | 71% | 0.706 | S | S | * | * | trans | -74.7 | 60.5 | 173.4 | -74.6 | -171.6 | -88.7 | 0 | 0 | 111.4 | Y162 S166 | Y162-M164 PolarHBondContact O-N 2.92Å; M164-S166 PolarHBondContact O-N 2.84Å | ||
| 165 | G | 31.9 | Very low | 36.1 | Very low | 56 Ų | 56 | 132.3 Ų | 132.3 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | trans | -67.2 | 116.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | N163 R167 | N163-G165 PolarHBondContact O-N 2.85Å; N163-G165 PolarHBondContact OD1-N 3.42Å; G165-R167 PolarHBondContact O-N 3.27Å | ||
| 166 | S | 43 | Very low | 36.1 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -66.3 | 115.3 | -179.1 | 165.9 | 0 | 0 | 0 | 0 | 112.5 | M164 | M164-S166 PolarHBondContact O-N 2.84Š| ||
| 167 | R | 30 | Very low | 36.1 | Very low | 209 Ų | 209 | 136.1 Ų | 136.1 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | trans | 41.3 | 113.3 | 143.9 | -61.6 | 172 | 60.1 | 143.5 | -0.4 | 117.4 | G165 | G165-R167 PolarHBondContact O-N 3.27Š| ||
| 168 | N | 38.1 | Very low | 36.5 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | -175.8 | 162.8 | 104.6 | -87.2 | -19.7 | 0 | 0 | 0 | 112.4 | |||||
| 169 | D | 43.2 | Very low | 36.9 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | 72.1 | 134.8 | 158 | -54.6 | -29.3 | 0 | 0 | 0 | 123 | ||||
| 170 | A | 41.8 | Very low | 37.8 | Very low | 84 Ų | 84 | 147.9 Ų | 147.9 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | 73.9 | 83.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 171 | H | 45.2 | Very low | 38.5 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | 61.8 | 122.2 | 126.4 | -66.4 | -71 | 0 | 0 | 0 | 124.1 | |||||
| 172 | N | 38.9 | Very low | 39.1 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | 76 | 97 | 125 | -172.7 | 80.3 | 0 | 0 | 0 | 121.9 | |||||
| 173 | S | 41.8 | Very low | 39.8 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | 173.2 | 130.8 | 117.8 | 46.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 174 | D | 41.5 | Very low | 40.3 | Very low | 142 Ų | 142 | 150.7 Ų | 150.7 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | 56.1 | 134.7 | 77.7 | -54.4 | -32.2 | 0 | 0 | 0 | 113 | |||||
| 175 | E | 35.7 | Very low | 40.9 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | cis | -164.5 | 135 | -8.7 | 171 | -170.6 | 175.9 | 0 | 0 | 107.3 | ||||
| 176 | I | 37.1 | Very low | 41.4 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | trans | -153.5 | 131.7 | 148.9 | 36 | 172.2 | 0 | 0 | 0 | 111.1 | ||||
| 177 | S | 38.7 | Very low | 40.8 | Very low | 90 Ų | 90 | 154.2 Ų | 154.2 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -123.5 | 144.2 | 175 | 173.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 178 | Y | 44 | Very low | 41.5 | Very low | 236 Ų | 236 | 149.8 Ų | 149.8 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -136.4 | 145 | 167.6 | -131 | -91.3 | 0 | 0 | 0 | 111.3 | ||||
| 179 | K | 42.2 | Very low | 41.4 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | trans | -134.9 | 133.6 | -169.4 | -81.3 | -91.9 | -170.6 | 172.5 | 0 | 110.3 | ||||
| 180 | D | 51.6 | Low | 41.3 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -162.1 | 95 | 157.5 | -139.8 | 2 | 0 | 0 | 0 | 105.6 | ||||
| 181 | E | 44.6 | Very low | 41 | Very low | 134 Ų | 134 | 151.4 Ų | 151.4 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | 67.6 | 99.9 | 74.5 | -170.6 | 95.9 | -130.2 | 0 | 0 | 113.7 | |||||
| 182 | K | 40.1 | Very low | 40.5 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 70% | 0.704 | 80% | 0.796 | S | S | * | * | trans | 42.2 | 129.5 | 153.6 | -64.1 | 175.1 | -174.2 | 133.4 | 0 | 120.4 | ||||
| 183 | N | 43.3 | Very low | 40.1 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | -157.1 | 135.6 | 101.3 | -92.2 | -44.4 | 0 | 0 | 0 | 113.4 | |||||
| 184 | K | 43.4 | Very low | 39.5 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -155.4 | 149.7 | 171.9 | -96.8 | -79.8 | -170.6 | 176 | 0 | 103.9 | ||||
| 185 | P | 42.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | cis | -127.5 | -151.1 | 47.7 | 22.9 | 3.7 | 0 | 0 | 0 | 110.6 | ||||
| 186 | V | 42.8 | Very low | 38.8 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | cis | -147.9 | 157.1 | 21.5 | 170.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 187 | E | 31.3 | Very low | 38.5 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -88.3 | 149.1 | 173.8 | -64.6 | 159 | 145.9 | 0 | 0 | 111.6 | ||||
| 188 | S | 43.1 | Very low | 38 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -145.7 | 103.5 | 168.3 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 189 | D | 37.2 | Very low | 37.4 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -66.8 | 145.1 | 164.6 | -62.4 | -52.9 | 0 | 0 | 0 | 110.2 | ||||
| 190 | G | 40.2 | Very low | 36.7 | Very low | 76 Ų | 76 | 144.4 Ų | 144.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -178.7 | 82.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 191 | D | 36.6 | Very low | 35.6 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -43.5 | 149.3 | -171.4 | -70.3 | -60 | 0 | 0 | 0 | 117.9 | ||||
| 192 | Q | 34.4 | Very low | 35 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 64.4 | 101.5 | 138.7 | -173.8 | -178.1 | -14.4 | 0 | 0 | 118.2 | ||||
| 193 | K | 30.8 | Very low | 34.7 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | 178.3 | 126.6 | 94.2 | -173.5 | 174 | 176.8 | -122.5 | 0 | 112.2 | D195 | K193-D195 WeakPolarHBondContact CE-OD1 3.49Å; K193-D195 IonicContact NZ-OD1 2.62Å; K193-D195 PolarHBondContact NZ-OD1 2.9Å; K193-D195 IonicContact NZ-OD2 2.84Å; K193-D195 PolarHBondContact NZ-OD2 2.92Å; K193-D195 PolarHBondContact O-N 3.21Å | |||
| 194 | S | 28.6 | Very low | 34.3 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -87.5 | 94.4 | 171.2 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | A196 | S194-A196 PolarHBondContact O-N 3.01Š| ||
| 195 | D | 34.4 | Very low | 33.7 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | trans | -82.2 | 105.5 | 167.6 | -80.9 | -32.9 | 0 | 0 | 0 | 109.7 | K193 I197 | K193-D195 WeakPolarHBondContact CE-OD1 3.49Å; K193-D195 IonicContact NZ-OD1 2.62Å; K193-D195 PolarHBondContact NZ-OD1 2.9Å; K193-D195 IonicContact NZ-OD2 2.84Å; K193-D195 PolarHBondContact NZ-OD2 2.92Å; K193-D195 PolarHBondContact O-N 3.21Å; D195-I197 PolarHBondContact O-N 2.98Å | ||
| 196 | A | 28.1 | Very low | 33.4 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -70.7 | 114.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S194 L198 | S194-A196 PolarHBondContact O-N 3.01Å; A196-L198 PolarHBondContact O-N 2.95Å | ||
| 197 | I | 31.7 | Very low | 32.8 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 92.5 | 172.3 | -57.1 | 177.9 | 0 | 0 | 0 | 108.3 | D195 L199 | D195-I197 PolarHBondContact O-N 2.98Å; I197-L199 HydrophobicContact CG2-CD1 3.96Å; I197-L199 HydrophobicContact CG2-CG 3.86Å; I197-L199 PolarHBondContact O-N 2.91Å; I197-L199 VanDerWaalsContact O-N 3.16Å | ||
| 198 | L | 27.2 | Very low | 32.8 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | trans | -67.6 | 103.5 | 159.8 | -72.9 | 169.8 | 0 | 0 | 0 | 107.8 | A196 | A196-L198 PolarHBondContact O-N 2.95Š| ||
| 199 | L | 30.5 | Very low | 32.2 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | -96.1 | 146.5 | 169.7 | -101.4 | 163.5 | 0 | 0 | 0 | 110.2 | I197 | I197-L199 HydrophobicContact CG2-CD1 3.96Å; I197-L199 HydrophobicContact CG2-CG 3.86Å; I197-L199 PolarHBondContact O-N 2.91Å; I197-L199 VanDerWaalsContact O-N 3.16Å | ||
| 200 | D | 28.9 | Very low | 31.9 | Very low | 141 Ų | 141 | 127 Ų | 127 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -75.1 | 156.5 | -160.7 | -146.8 | -17.2 | 0 | 0 | 0 | 113.6 | D202 | D200-D202 VanDerWaalsContact C-N 3.34Å; D200-D202 PolarHBondContact O-N 3.28Å | ||
| 201 | A | 28.5 | Very low | 31.5 | Very low | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -82.6 | -4.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115 | S203 | A201-S203 VanDerWaalsContact C-N 3.26Å; A201-S203 PolarHBondContact O-N 3.22Å |
| 202 | D | 31.9 | Very low | 31.2 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -78.8 | 63.7 | -177 | -77.9 | -11.7 | 0 | 0 | 0 | 113 | D200 | D200-D202 VanDerWaalsContact C-N 3.34Å; D200-D202 PolarHBondContact O-N 3.28Å | ||
| 203 | S | 34 | Very low | 30.9 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | -74.8 | 123.5 | 164.3 | -74.6 | 0 | 0 | 0 | 0 | 110.5 | A201 S205 | A201-S203 VanDerWaalsContact C-N 3.26Å; A201-S203 PolarHBondContact O-N 3.22Å; S203-S205 PolarHBondContact O-N 3.22Å | ||
| 204 | P | 34.3 | Very low | 31 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 58% | 0.584 | 75% | 0.752 | S | S | * | * | trans | -66.4 | 130.2 | 179.1 | 27.3 | -34.1 | 0 | 0 | 0 | 110.6 | Y206 | P204-Y206 PolarHBondContact O-N 3.46Å; P204-Y206 VanDerWaalsContact O-N 3.07Å | ||
| 205 | S | 30.8 | Very low | 31.2 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -69.9 | 104.2 | 176.1 | 44.1 | 0 | 0 | 0 | 0 | 110.5 | S203 L207 | S203-S205 PolarHBondContact O-N 3.22Å; S205-L207 PolarHBondContact O-N 3.47Å | ||
| 206 | Y | 37 | Very low | 30.9 | Very low | 141 Ų | 141 | 134 Ų | 134 | 55% | 0.553 | 75% | 0.753 | S | S | * | * | trans | -63.7 | 99.7 | 177.4 | -62 | -77.1 | 0 | 0 | 0 | 110.9 | P204 I208 | P204-Y206 PolarHBondContact O-N 3.46Å; P204-Y206 VanDerWaalsContact O-N 3.07Å; Y206-I208 PolarHBondContact O-N 3.36Å | ||
| 207 | L | 28.7 | Very low | 31.1 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | -67.8 | 96.2 | 173.1 | -75.6 | 171.9 | 0 | 0 | 0 | 110 | S205 S209 | S205-L207 PolarHBondContact O-N 3.47Å; L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 2.85Å | ||
| 208 | I | 32.5 | Very low | 30.9 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 51% | 0.513 | 75% | 0.754 | S | S | . | * | trans | -69.2 | 89.5 | 173.5 | -54.8 | 177 | 0 | 0 | 0 | 108.6 | Y206 S210 | Y206-I208 PolarHBondContact O-N 3.36Å; I208-S210 VanDerWaalsContact C-N 3.31Å; I208-S210 PolarHBondContact O-N 2.89Å | ||
| 209 | S | 29.8 | Very low | 31.3 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -76.7 | 83.3 | 171.8 | -169.1 | 0 | 0 | 0 | 0 | 109.6 | L207 N211 | L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 2.85Å; S209-N211 PolarHBondContact O-N 3.31Å | ||
| 210 | S | 32.1 | Very low | 31.1 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -72.8 | 102.4 | 171.1 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | I208 | I208-S210 VanDerWaalsContact C-N 3.31Å; I208-S210 PolarHBondContact O-N 2.89Å | ||
| 211 | N | 31.7 | Very low | 31.2 | Very low | 140 Ų | 140 | 133 Ų | 133 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | -82.4 | 151.1 | 168.5 | 59.9 | -38.9 | 0 | 0 | 0 | 111.3 | S209 | S209-N211 PolarHBondContact O-N 3.31Š| ||
| 212 | E | 30.2 | Very low | 31.6 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | -112.2 | 109.4 | -157.8 | 178.2 | -177.8 | -175.7 | 0 | 0 | 111.4 | ||||
| 213 | N | 27.4 | Very low | 31.6 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -161.6 | 66.4 | 158.7 | 64.8 | -18.6 | 0 | 0 | 0 | 112.8 | N215 | N213-N215 PolarHBondContact O-N 3.12Š| ||
| 214 | L | 32.1 | Very low | 31.4 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 96% | 0.958 | 74% | 0.741 | S | S | * | * | trans | -68.6 | 84.3 | 160.4 | -71.8 | 179.8 | 0 | 0 | 0 | 108.9 | E216 | L214-E216 PolarHBondContact O-N 3.14Š| ||
| 215 | N | 33.1 | Very low | 31.4 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 66% | 0.658 | 75% | 0.751 | S | S | * | * | trans | -68.2 | 115 | 176.4 | -175.6 | 101.2 | 0 | 0 | 0 | 109.5 | N213 F217 | N213-N215 PolarHBondContact O-N 3.12Å; N215-F217 PolarHBondContact O-N 3.45Å | ||
| 216 | E | 28.5 | Very low | 31.8 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | -46 | 106.9 | 168 | -173 | 164.1 | -139.1 | 0 | 0 | 110.7 | L214 D218 | L214-E216 PolarHBondContact O-N 3.14Å; E216-D218 VanDerWaalsContact C-N 3.3Å; E216-D218 PolarHBondContact O-N 2.9Å; E216-D218 VanDerWaalsContact O-N 3.16Å | ||
| 217 | F | 32.5 | Very low | 31.9 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -88.7 | 75.7 | 178.5 | -118.5 | -73.8 | 0 | 0 | 0 | 108.5 | N215 G219 | N215-F217 PolarHBondContact O-N 3.45Å; F217-G219 PolarHBondContact O-N 2.77Å | ||
| 218 | D | 27.7 | Very low | 32.1 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -68 | 100.3 | 173.9 | -163.3 | 10.6 | 0 | 0 | 0 | 109.1 | E216 D220 | E216-D218 VanDerWaalsContact C-N 3.3Å; E216-D218 PolarHBondContact O-N 2.9Å; E216-D218 VanDerWaalsContact O-N 3.16Å; D218-D220 PolarHBondContact O-N 3.01Å | ||
| 219 | G | 34.6 | Very low | 32.4 | Very low | 53 Ų | 53 | 138.6 Ų | 138.6 | 55% | 0.546 | 77% | 0.765 | S | S | . | * | trans | -100.5 | 75.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F217 I221 | F217-G219 PolarHBondContact O-N 2.77Å; G219-I221 VanDerWaalsContact C-N 3.28Å; G219-I221 PolarHBondContact O-N 3.16Å | ||
| 220 | D | 27.5 | Very low | 32.6 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -60.4 | 81.5 | 176.9 | -113.9 | -21.6 | 0 | 0 | 0 | 111.9 | D218 S222 | D218-D220 PolarHBondContact O-N 3.01Å; D220-S222 PolarHBondContact O-N 3.02Å; D220-S222 VanDerWaalsContact O-N 3.14Å | ||
| 221 | I | 31.6 | Very low | 32.6 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -80.7 | 92.2 | 170.6 | -63.5 | 168.1 | 0 | 0 | 0 | 107.5 | G219 E223 | G219-I221 VanDerWaalsContact C-N 3.28Å; G219-I221 PolarHBondContact O-N 3.16Å; I221-E223 PolarHBondContact O-N 3.23Å; I221-E223 VanDerWaalsContact O-N 3.12Å | ||
| 222 | S | 35.6 | Very low | 32.7 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -62.5 | 110.5 | -173.1 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | D220 | D220-S222 PolarHBondContact O-N 3.02Å; D220-S222 VanDerWaalsContact O-N 3.14Å | ||
| 223 | E | 33.2 | Very low | 32.7 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 49.8 | 107.7 | 141.5 | -161.1 | 167.5 | -152.5 | 0 | 0 | 119.5 | I221 | I221-E223 PolarHBondContact O-N 3.23Å; I221-E223 VanDerWaalsContact O-N 3.12Å |
| 224 | N | 28.3 | Very low | 32.9 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | trans | 69.9 | 92.9 | 142.5 | -173.5 | 18.7 | 0 | 0 | 0 | 120.6 | N226 | N224-N226 PolarHBondContact OD1-N 2.81Š| ||
| 225 | P | 34.7 | Very low | 33.2 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -104.4 | 73.4 | 150 | 36.6 | -29 | 0 | 0 | 0 | 112.4 | S227 | P225-S227 PolarHBondContact O-N 3.4Š| ||
| 226 | N | 40.2 | Very low | 33.6 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | trans | 19.4 | 85.4 | 146.7 | 59.2 | -14.9 | 0 | 0 | 0 | 119.9 | N224 | N224-N226 PolarHBondContact OD1-N 2.81Š| ||
| 227 | S | 37.4 | Very low | 34.3 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 52.3 | 128.3 | 138.1 | 61.6 | 0 | 0 | 0 | 0 | 121.6 | P225 | P225-S227 PolarHBondContact O-N 3.4Š|
| 228 | D | 34.1 | Very low | 34.9 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 78.5 | 26.9 | 140.4 | -55.6 | -6.2 | 0 | 0 | 0 | 121 | ||
| 229 | N | 38.1 | Very low | 35.6 | Very low | 158 Ų | 158 | 125 Ų | 125 | 85% | 0.845 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -152.5 | 10.9 | 164.9 | -128.9 | -13.6 | 0 | 0 | 0 | 119.9 | ||
| 230 | L | 33.2 | Very low | 35.9 | Very low | 167 Ų | 167 | 126 Ų | 126 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | trans | -122.7 | 110.1 | 173.3 | -69.6 | 176 | 0 | 0 | 0 | 110.5 | S232 | L230-S232 PolarHBondContact O-N 3.34Š| ||
| 231 | K | 33.1 | Very low | 36.5 | Very low | 215 Ų | 215 | 120.1 Ų | 120.1 | 94% | 0.935 | 64% | 0.637 | S | S | * | * | trans | -66.4 | 101.6 | 173 | -169.5 | 176.2 | -176.9 | -177.8 | 0 | 107.8 | N233 | K231-N233 PolarHBondContact O-N 3.47Š| ||
| 232 | S | 32.8 | Very low | 37 | Very low | 86 Ų | 86 | 114.2 Ų | 114.2 | 60% | 0.601 | 61% | 0.611 | S | S | * | * | trans | -76.8 | 99.9 | -154.4 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | L230 I234 | L230-S232 PolarHBondContact O-N 3.34Å; S232-I234 PolarHBondContact O-N 2.8Å | ||
| 233 | N | 30.8 | Very low | 37.2 | Very low | 141 Ų | 141 | 110.3 Ų | 110.3 | 75% | 0.754 | 58% | 0.584 | S | S | * | * | trans | -75.7 | 68.5 | 167.6 | -167.6 | 25.5 | 0 | 0 | 0 | 109.8 | K231 V235 | K231-N233 PolarHBondContact O-N 3.47Å; N233-V235 PolarHBondContact O-N 2.65Å; N233-V235 WeakPolarHBondContact OD1-CG2 3.36Å | ||
| 234 | I | 31.3 | Very low | 37.6 | Very low | 105 Ų | 105 | 107.3 Ų | 107.3 | 54% | 0.538 | 57% | 0.565 | S | S | . | * | trans | -79.4 | 74.1 | -179.1 | -42.3 | -176.8 | 0 | 0 | 0 | 108.9 | S232 H236 | S232-I234 PolarHBondContact O-N 2.8Å; I234-H236 VanDerWaalsContact C-N 3.32Å; I234-H236 WeakPolarHBondContact CG2-NE2 3.38Å; I234-H236 PolarHBondContact O-N 3.32Å | ||
| 235 | V | 39.3 | Very low | 38.3 | Very low | 54 Ų | 54 | 103.6 Ų | 103.6 | 33% | 0.327 | 54% | 0.543 | S | S | . | . | trans | -70.3 | 92 | 174.1 | -169.2 | 0 | 0 | 0 | 0 | 108.2 | N233 H237 | N233-V235 PolarHBondContact O-N 2.65Å; N233-V235 WeakPolarHBondContact OD1-CG2 3.36Å; V235-H237 VanDerWaalsContact C-N 3.26Å; V235-H237 WeakPolarHBondContact CG1-CE1 3.39Å; V235-H237 PolarHBondContact O-N 2.73Å | ||
| 236 | H | 41 | Very low | 38.6 | Very low | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | trans | -68.7 | 83.1 | 175.4 | -85 | -85.3 | 0 | 0 | 0 | 110.4 | I234 H238 | I234-H236 VanDerWaalsContact C-N 3.32Å; I234-H236 WeakPolarHBondContact CG2-NE2 3.38Å; I234-H236 PolarHBondContact O-N 3.32Å; H236-H238 VanDerWaalsContact C-N 3.31Å; H236-H238 PolarHBondContact O-N 2.88Å | ||
| 237 | H | 43.8 | Very low | 38.7 | Very low | 94 Ų | 94 | 95.8 Ų | 95.8 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | trans | -70.9 | 83.5 | 169.5 | -68.7 | -56.4 | 0 | 0 | 0 | 110.3 | V235 | V235-H237 VanDerWaalsContact C-N 3.26Å; V235-H237 WeakPolarHBondContact CG1-CE1 3.39Å; V235-H237 PolarHBondContact O-N 2.73Å | ||
| 238 | H | 45.1 | Very low | 39 | Very low | 150 Ų | 150 | 98.4 Ų | 98.4 | 69% | 0.694 | 50% | 0.501 | S | S | * | . | trans | -139.2 | 77.8 | -175 | -145.5 | -78.6 | 0 | 0 | 0 | 114.4 | H236 | H236-H238 VanDerWaalsContact C-N 3.31Å; H236-H238 PolarHBondContact O-N 2.88Å | ||
| 239 | L | 41.2 | Very low | 39.5 | Very low | 65 Ų | 65 | 96.5 Ų | 96.5 | 34% | 0.34 | 48% | 0.483 | S | S | . | . | trans | -170.7 | 123.1 | 148.6 | 176.6 | 53.4 | 0 | 0 | 0 | 108.6 | F34 I241 W263 | F34-L239 HydrophobicContact CD1-CD2 4.38Å; F34-L239 HydrophobicContact CE1-CD2 3.66Å; F34-L239 HydrophobicContact CZ-CD2 4.1Å; L239-I241 HydrophobicContact CD1-CD1 4.5Å; L239-I241 HydrophobicContact CD1-CG1 4Å; L239-I241 HydrophobicContact CD2-CD1 4.03Å; L239-I241 HydrophobicContact CD2-CG1 4.42Å; L239-I241 HydrophobicContact CG-CD1 4.03Å; L239-I241 HydrophobicContact CG-CG1 3.98Å; L239-W263 HydrophobicContact CB-CG 4.5Å | ||
| 240 | F | 42.3 | Very low | 39.7 | Very low | 74 Ų | 74 | 99 Ų | 99 | 33% | 0.325 | 49% | 0.489 | S | S | . | . | trans | -121.8 | 116.9 | 177.1 | 177.1 | -99.2 | 0 | 0 | 0 | 109.4 | W141 V145 S242 I260 | W141-F240 HydrophobicContact CZ2-CE1 4.44Å; V145-F240 HydrophobicContact CG1-CE1 3.78Å; V145-F240 HydrophobicContact CG1-CE2 4.29Å; V145-F240 HydrophobicContact CG1-CZ 3.67Å; V145-F240 HydrophobicContact CG2-CE1 4.25Å; V145-F240 HydrophobicContact CG2-CZ 4.17Å; F240-S242 VanDerWaalsContact CE1-CB 3.41Å; F240-S242 VanDerWaalsContact CE1-OG 3.31Å; F240-S242 WeakPolarHBondContact CE1-OG 3.42Å; F240-I260 HydrophobicContact CD2-CG2 4.01Å; F240-I260 HydrophobicContact CE2-CB 4.37Å; F240-I260 HydrophobicContact CE2-CD1 4.25Å; F240-I260 HydrophobicContact CE2-CG1 3.97Å; F240-I260 HydrophobicContact CE2-CG2 3.76Å; F240-I260 HydrophobicContact CZ-CG1 4.5Å | ||
| 241 | I | 40 | Very low | 40.3 | Very low | 29 Ų | 29 | 99 Ų | 99 | 15% | 0.149 | 48% | 0.482 | C | S | . | . | trans | -114.7 | 86.3 | -178.2 | -53.7 | 148.8 | 0 | 0 | 0 | 108.5 | V30 F34 L239 V261 | V30-I241 HydrophobicContact CG1-CD1 4.4Å; F34-I241 HydrophobicContact CD2-CD1 4.11Å; F34-I241 HydrophobicContact CE1-CD1 4.28Å; F34-I241 HydrophobicContact CE2-CD1 3.35Å; F34-I241 HydrophobicContact CE2-CG1 3.94Å; F34-I241 HydrophobicContact CE2-CG2 4.49Å; F34-I241 HydrophobicContact CZ-CD1 3.46Å; F34-I241 VanDerWaalsContact CZ-CD1 3.46Å; F34-I241 HydrophobicContact CZ-CG1 3.8Å; L239-I241 HydrophobicContact CD1-CD1 4.5Å; L239-I241 HydrophobicContact CD1-CG1 4Å; L239-I241 HydrophobicContact CD2-CD1 4.03Å; L239-I241 HydrophobicContact CD2-CG1 4.42Å; L239-I241 HydrophobicContact CG-CD1 4.03Å; L239-I241 HydrophobicContact CG-CG1 3.98Å; I241-V261 HydrophobicContact CD1-CB 4.4Å | ||
| 242 | S | 41.6 | Very low | 40.7 | Very low | 42 Ų | 42 | 93.6 Ų | 93.6 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | trans | -90.9 | 114 | 168.7 | 57 | 0 | 0 | 0 | 0 | 110.7 | W141 F240 | W141-S242 WeakPolarHBondContact CZ2-OG 3.44Å; F240-S242 VanDerWaalsContact CE1-CB 3.41Å; F240-S242 VanDerWaalsContact CE1-OG 3.31Å; F240-S242 WeakPolarHBondContact CE1-OG 3.42Å | ||
| 243 | S | 40.6 | Very low | 40.9 | Very low | 27 Ų | 27 | 92.9 Ų | 92.9 | 19% | 0.189 | 45% | 0.449 | C | S | . | . | trans | -108.6 | 115.4 | 172 | 41.3 | 0 | 0 | 0 | 0 | 110 | F245 | S243-F245 VanDerWaalsContact CB-CE2 3.46Å; S243-F245 WeakPolarHBondContact O-CD2 3.22Å; S243-F245 VanDerWaalsContact OG-CE2 3.27Å; S243-F245 WeakPolarHBondContact OG-CE2 3.29Å | ||
| 244 | R | 40.8 | Very low | 41.6 | Very low | 118 Ų | 118 | 88.8 Ų | 88.8 | 45% | 0.445 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -84.4 | 112.8 | -179.6 | -169.1 | -172.2 | -163.3 | 179.4 | 10.9 | 110 | E256 | R244-E256 HydrophobicContact CG-CG 4.08Å; R244-E256 IonicContact CZ-OE2 3.29Å; R244-E256 VanDerWaalsContact CZ-OE2 3.29Å; R244-E256 IonicContact NE-OE2 3.13Å; R244-E256 PolarHBondContact NE-OE2 3.02Å; R244-E256 VanDerWaalsContact NE-OE2 3.13Å; R244-E256 IonicContact NH2-OE2 2.68Å; R244-E256 PolarHBondContact NH2-OE2 3.3Å |
| 245 | F | 42.3 | Very low | 42.4 | Very low | 48 Ų | 48 | 87.9 Ų | 87.9 | 21% | 0.211 | 42% | 0.423 | C | S | . | . | trans | -109.9 | 138.2 | 172.2 | -56.6 | -74.6 | 0 | 0 | 0 | 111.4 | F22 L26 S243 | F22-F245 HydrophobicContact CZ-CB 4.23Å; F22-F245 HydrophobicContact CZ-CD2 4.28Å; F22-F245 HydrophobicContact CZ-CG 4.14Å; L26-F245 HydrophobicContact CD1-CE2 3.38Å; L26-F245 HydrophobicContact CD1-CZ 3.51Å; L26-F245 HydrophobicContact CD2-CD2 4.16Å; L26-F245 HydrophobicContact CD2-CE2 3.65Å; L26-F245 HydrophobicContact CG-CE2 4.17Å; S243-F245 VanDerWaalsContact CB-CE2 3.46Å; S243-F245 WeakPolarHBondContact O-CD2 3.22Å; S243-F245 VanDerWaalsContact OG-CE2 3.27Å; S243-F245 WeakPolarHBondContact OG-CE2 3.29Å | ||
| 246 | C | 41.1 | Very low | 42.7 | Very low | 64 Ų | 64 | 88.7 Ų | 88.7 | 43% | 0.432 | 42% | 0.423 | S | S | . | . | trans | -118 | 108 | 170.8 | -65.8 | 0 | 0 | 0 | 0 | 108.3 | L254 | C246-L254 WeakPolarHBondContact CA-O 3.27Š| ||
| 247 | V | 42.2 | Very low | 43 | Very low | 18 Ų | 18 | 84.1 Ų | 84.1 | 11% | 0.109 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 110.6 | 178.1 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | F22 Y249 L254 | F22-V247 HydrophobicContact CZ-CG2 4.4Å; V247-Y249 HydrophobicContact CG1-CD2 3.79Å; V247-Y249 HydrophobicContact CG1-CE2 3.52Å; V247-L254 HydrophobicContact CB-CB 4.15Å; V247-L254 HydrophobicContact CB-CD1 4.11Å; V247-L254 HydrophobicContact CB-CG 4.34Å; V247-L254 HydrophobicContact CG2-CD1 4.31Å; V247-L254 PolarHBondContact N-O 3.31Å; V247-L254 PolarHBondContact O-N 3.13Å |
| 248 | Q | 43.3 | Very low | 43.3 | Very low | 150 Ų | 150 | 81.3 Ų | 81.3 | 70% | 0.701 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 110.1 | 169.3 | -74.3 | -168.6 | -28.1 | 0 | 0 | 109.7 | V253 | Q248-V253 HydrophobicContact CG-CG1 4.36Å; Q248-V253 HydrophobicContact CG-CG2 4.34Å |
| 249 | Y | 45 | Very low | 43.6 | Very low | 113 Ų | 113 | 74.5 Ų | 74.5 | 44% | 0.443 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 155.2 | 156.8 | -79.9 | -76.5 | 0 | 0 | 0 | 109.6 | V247 K251 Y252 | V247-Y249 HydrophobicContact CG1-CD2 3.79Å; V247-Y249 HydrophobicContact CG1-CE2 3.52Å; Y249-K251 PolarHBondContact O-N 3.47Å; Y249-Y252 PolarHBondContact N-O 3.49Å; Y249-Y252 PolarHBondContact O-N 3.32Å; Y249-Y252 VanDerWaalsContact O-O 3.09Å |
| 250 | E | 42.4 | Very low | 44.1 | Very low | 209 Ų | 209 | 71.5 Ų | 71.5 | 98% | 0.977 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.9 | -20.7 | -170.9 | -165.6 | -178.2 | -162.1 | 0 | 0 | 116.3 | ||
| 251 | K | 47.4 | Very low | 44.4 | Very low | 167 Ų | 167 | 68.8 Ų | 68.8 | 73% | 0.726 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | -4.8 | 177.5 | -171.1 | 168.8 | 178 | 178.4 | 0 | 114.8 | Y249 | Y249-K251 PolarHBondContact O-N 3.47Š|
| 252 | Y | 41.2 | Very low | 44.8 | Very low | 102 Ų | 102 | 69.8 Ų | 69.8 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 126.7 | -172.3 | -56.1 | -81.6 | 0 | 0 | 0 | 111.5 | R15 Y249 | R15-Y252 VanDerWaalsContact NH2-CD2 3.32Å; Y249-Y252 PolarHBondContact N-O 3.49Å; Y249-Y252 PolarHBondContact O-N 3.32Å; Y249-Y252 VanDerWaalsContact O-O 3.09Å |
| 253 | V | 37.1 | Very low | 45.1 | Very low | 71 Ų | 71 | 69.1 Ų | 69.1 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 117.2 | 170.3 | -170.9 | 0 | 0 | 0 | 0 | 108.2 | Q248 N255 | Q248-V253 HydrophobicContact CG-CG1 4.36Å; Q248-V253 HydrophobicContact CG-CG2 4.34Å; V253-N255 PolarHBondContact O-N 2.86Å; V253-N255 VanDerWaalsContact O-N 3.1Å |
| 254 | L | 45.5 | Very low | 45.4 | Very low | 55 Ų | 55 | 73.3 Ų | 73.3 | 29% | 0.288 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 100.2 | 160.2 | -65 | -173.2 | 0 | 0 | 0 | 106.6 | C246 V247 F287 | C246-L254 WeakPolarHBondContact CA-O 3.27Å; V247-L254 HydrophobicContact CB-CB 4.15Å; V247-L254 HydrophobicContact CB-CD1 4.11Å; V247-L254 HydrophobicContact CB-CG 4.34Å; V247-L254 HydrophobicContact CG2-CD1 4.31Å; V247-L254 PolarHBondContact N-O 3.31Å; V247-L254 PolarHBondContact O-N 3.13Å; L254-F287 HydrophobicContact CD1-CE1 4.09Å; L254-F287 HydrophobicContact CD2-CD1 4.07Å; L254-F287 HydrophobicContact CD2-CE1 3.98Å; L254-F287 HydrophobicContact CG-CE1 4.48Å |
| 255 | N | 46.5 | Very low | 45.8 | Very low | 87 Ų | 87 | 71 Ų | 71 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | trans | -79.8 | -21.2 | -164.1 | -138 | 86.8 | 0 | 0 | 0 | 113.4 | V253 | V253-N255 PolarHBondContact O-N 2.86Å; V253-N255 VanDerWaalsContact O-N 3.1Å | ||
| 256 | E | 47.2 | Very low | 46.2 | Very low | 71 Ų | 71 | 77.1 Ų | 77.1 | 33% | 0.332 | 37% | 0.366 | S | S | . | . | trans | -161 | 142.5 | 169.1 | -143.6 | 149.8 | 113.8 | 0 | 0 | 109.8 | R244 I258 | R244-E256 HydrophobicContact CG-CG 4.08Å; R244-E256 IonicContact CZ-OE2 3.29Å; R244-E256 VanDerWaalsContact CZ-OE2 3.29Å; R244-E256 IonicContact NE-OE2 3.13Å; R244-E256 PolarHBondContact NE-OE2 3.02Å; R244-E256 VanDerWaalsContact NE-OE2 3.13Å; R244-E256 IonicContact NH2-OE2 2.68Å; R244-E256 PolarHBondContact NH2-OE2 3.3Å; E256-I258 HydrophobicContact CG-CG1 4.22Å | ||
| 257 | V | 47.1 | Very low | 46.7 | Very low | 12 Ų | 12 | 77.3 Ų | 77.3 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | trans | -126.2 | 131.2 | 160.5 | -179.2 | 0 | 0 | 0 | 0 | 105.6 | F287 | V257-F287 HydrophobicContact CG2-CE1 3.71Å; V257-F287 HydrophobicContact CG2-CZ 3.76Å | ||
| 258 | I | 50 | Low | 47.2 | Very low | 35 Ų | 35 | 79.9 Ų | 79.9 | 18% | 0.179 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -117.7 | 98.3 | 176 | -54.6 | 176.1 | 0 | 0 | 0 | 107.3 | W141 E256 I260 | W141-I258 HydrophobicContact CH2-CD1 3.97Å; W141-I258 HydrophobicContact CH2-CG1 4.15Å; W141-I258 HydrophobicContact CH2-CG2 4.16Å; W141-I258 HydrophobicContact CZ3-CD1 3.9Å; W141-I258 HydrophobicContact CZ3-CG1 4.33Å; E256-I258 HydrophobicContact CG-CG1 4.22Å; I258-I260 HydrophobicContact CG2-CD1 4.35Å; I258-I260 HydrophobicContact CG2-CG1 3.89Å |
| 259 | L | 51.1 | Low | 47.7 | Very low | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | trans | -67.1 | 134 | 162.8 | 177.2 | 60.3 | 0 | 0 | 0 | 108.5 | L26 V30 V261 L282 | L26-L259 HydrophobicContact CD2-CB 4.34Å; L26-L259 HydrophobicContact CD2-CD2 4.05Å; L26-L259 HydrophobicContact CG-CD2 4.09Å; V30-L259 HydrophobicContact CG2-CD2 4.18Å; L259-V261 HydrophobicContact CD1-CG2 4.13Å; L259-V261 HydrophobicContact CD2-CG2 4.09Å; L259-V261 HydrophobicContact CG-CG2 4.02Å; L259-L282 HydrophobicContact CD1-CD1 3.42Å; L259-L282 VanDerWaalsContact CD1-CD1 3.42Å; L259-L282 HydrophobicContact CD1-CG 4.28Å | ||
| 260 | I | 50.7 | Low | 47.9 | Very low | 3 Ų | 3 | 76.7 Ų | 76.7 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | trans | -126.9 | 111.7 | 168 | -53.8 | -179.1 | 0 | 0 | 0 | 107.4 | I148 F240 I258 F262 | I148-I260 HydrophobicContact CG2-CD1 4Å; F240-I260 HydrophobicContact CD2-CG2 4.01Å; F240-I260 HydrophobicContact CE2-CB 4.37Å; F240-I260 HydrophobicContact CE2-CD1 4.25Å; F240-I260 HydrophobicContact CE2-CG1 3.97Å; F240-I260 HydrophobicContact CE2-CG2 3.76Å; F240-I260 HydrophobicContact CZ-CG1 4.5Å; I258-I260 HydrophobicContact CG2-CD1 4.35Å; I258-I260 HydrophobicContact CG2-CG1 3.89Å; I260-F262 HydrophobicContact CB-CE2 4.42Å; I260-F262 HydrophobicContact CG2-CD2 3.87Å; I260-F262 HydrophobicContact CG2-CE1 4.14Å; I260-F262 HydrophobicContact CG2-CE2 3.39Å; I260-F262 HydrophobicContact CG2-CG 4.43Å; I260-F262 HydrophobicContact CG2-CZ 3.55Å | ||
| 261 | V | 49.4 | Very low | 48.2 | Very low | 17 Ų | 17 | 73.2 Ų | 73.2 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.8 | 168.6 | -176.5 | 0 | 0 | 0 | 0 | 107.5 | I241 L259 | I241-V261 HydrophobicContact CD1-CB 4.4Å; L259-V261 HydrophobicContact CD1-CG2 4.13Å; L259-V261 HydrophobicContact CD2-CG2 4.09Å; L259-V261 HydrophobicContact CG-CG2 4.02Å |
| 262 | F | 49 | Very low | 48.5 | Very low | 50 Ų | 50 | 77 Ų | 77 | 22% | 0.219 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.3 | 167 | -66.8 | -77.9 | 0 | 0 | 0 | 109.9 | V152 I260 | V152-F262 HydrophobicContact CB-CZ 4.36Å; V152-F262 HydrophobicContact CG1-CE2 3.82Å; V152-F262 HydrophobicContact CG1-CZ 3.75Å; I260-F262 HydrophobicContact CB-CE2 4.42Å; I260-F262 HydrophobicContact CG2-CD2 3.87Å; I260-F262 HydrophobicContact CG2-CE1 4.14Å; I260-F262 HydrophobicContact CG2-CE2 3.39Å; I260-F262 HydrophobicContact CG2-CG 4.43Å; I260-F262 HydrophobicContact CG2-CZ 3.55Å |
| 263 | W | 46.8 | Very low | 48.3 | Very low | 27 Ų | 27 | 75.2 Ų | 75.2 | 10% | 0.102 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 141.3 | 167.8 | -67 | 79.8 | 0 | 0 | 0 | 110 | F35 L239 Y265 F280 | F35-W263 HydrophobicContact CZ-CH2 4.32Å; L239-W263 HydrophobicContact CB-CG 4.5Å; W263-Y265 HydrophobicContact CB-CE2 4.07Å; W263-Y265 HydrophobicContact CE3-CE1 4.24Å; W263-Y265 AromaticContact CE3-CZ 3.94Å; W263-F280 HydrophobicContact CH2-CD1 4.41Å; W263-F280 AromaticContact CH2-CE1 3.59Å; W263-F280 HydrophobicContact CH2-CE1 3.59Å; W263-F280 HydrophobicContact CH2-CZ 4.41Å; W263-F280 HydrophobicContact CZ2-CE1 4.07Å; W263-F280 AromaticContact CZ3-CE1 3.87Å; W263-F280 HydrophobicContact CZ3-CE1 3.87Å |
| 264 | R | 46.8 | Very low | 48.3 | Very low | 116 Ų | 116 | 75.9 Ų | 75.9 | 44% | 0.438 | 40% | 0.404 | S | S | . | . | trans | -119.8 | 131.3 | 166.4 | -71.6 | -175.2 | 169.3 | -172.5 | -6.4 | 108.2 | ||||
| 265 | Y | 49.3 | Very low | 47.7 | Very low | 70 Ų | 70 | 76.6 Ų | 76.6 | 28% | 0.275 | 43% | 0.425 | S | S | . | . | trans | -123.2 | 124.3 | 171.7 | -62.9 | -67.6 | 0 | 0 | 0 | 107.7 | W263 F271 | W263-Y265 HydrophobicContact CB-CE2 4.07Å; W263-Y265 HydrophobicContact CE3-CE1 4.24Å; W263-Y265 AromaticContact CE3-CZ 3.94Å; Y265-F271 AromaticContact CD1-CE2 3.9Å; Y265-F271 HydrophobicContact CD1-CE2 3.9Å; Y265-F271 HydrophobicContact CD1-CZ 4.13Å; Y265-F271 AromaticContact CE1-CE2 3.82Å; Y265-F271 HydrophobicContact CE1-CE2 3.82Å; Y265-F271 AromaticContact CE1-CZ 3.7Å; Y265-F271 HydrophobicContact CE1-CZ 3.7Å | ||
| 266 | D | 52.1 | Low | 47.3 | Very low | 175 Ų | 175 | 77.7 Ų | 77.7 | 94% | 0.936 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -75.8 | -27.3 | 177.6 | -60.1 | -49.2 | 0 | 0 | 0 | 112.1 | ||
| 267 | D | 50 | Low | 47 | Very low | 68 Ų | 68 | 81 Ų | 81 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | trans | -150.9 | 117.7 | 173.7 | -171.1 | -25.9 | 0 | 0 | 0 | 110.3 | T269 L270 | D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 VanDerWaalsContact CG-OG1 3.27Å; D267-T269 PolarHBondContact O-N 2.96Å; D267-T269 VanDerWaalsContact OD1-CB 3.29Å; D267-T269 WeakPolarHBondContact OD1-CB 3.26Å; D267-T269 WeakPolarHBondContact OD1-CG2 3.19Å; D267-T269 PolarHBondContact OD1-N 2.75Å; D267-T269 PolarHBondContact OD1-OG1 2.96Å; D267-T269 PolarHBondContact OD2-OG1 3.29Å; D267-L270 HydrophobicContact CB-CD1 3.9Å; D267-L270 HydrophobicContact CB-CG 4.22Å | ||
| 268 | P | 53.1 | Low | 46.8 | Very low | 72 Ų | 72 | 81 Ų | 81 | 47% | 0.468 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -73.1 | -14 | 178.8 | 30.4 | -35.2 | 0 | 0 | 0 | 113.9 | L270 | P268-L270 VanDerWaalsContact C-N 3.27Å; P268-L270 PolarHBondContact O-N 2.88Å |
| 269 | T | 54.1 | Low | 46.2 | Very low | 105 Ų | 105 | 85.5 Ų | 85.5 | 64% | 0.644 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -76 | -11.8 | -174.6 | 68.2 | 0 | 0 | 0 | 0 | 114.2 | D267 F271 | D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 VanDerWaalsContact CG-OG1 3.27Å; D267-T269 PolarHBondContact O-N 2.96Å; D267-T269 VanDerWaalsContact OD1-CB 3.29Å; D267-T269 WeakPolarHBondContact OD1-CB 3.26Å; D267-T269 WeakPolarHBondContact OD1-CG2 3.19Å; D267-T269 PolarHBondContact OD1-N 2.75Å; D267-T269 PolarHBondContact OD1-OG1 2.96Å; D267-T269 PolarHBondContact OD2-OG1 3.29Å; T269-F271 VanDerWaalsContact C-N 3.31Å; T269-F271 PolarHBondContact O-N 3.04Å |
| 270 | L | 49.1 | Very low | 45.6 | Very low | 92 Ų | 92 | 90 Ų | 90 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -79.7 | -3.8 | -170.6 | -65.2 | 173.4 | 0 | 0 | 0 | 114.8 | D267 P268 R272 N276 | D267-L270 HydrophobicContact CB-CD1 3.9Å; D267-L270 HydrophobicContact CB-CG 4.22Å; P268-L270 VanDerWaalsContact C-N 3.27Å; P268-L270 PolarHBondContact O-N 2.88Å; L270-R272 PolarHBondContact O-N 2.93Å; L270-N276 WeakPolarHBondContact CD1-ND2 3.25Å |
| 271 | F | 47.9 | Very low | 45 | Very low | 136 Ų | 136 | 93.8 Ų | 93.8 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 23.8 | -178.7 | -75.4 | -77.4 | 0 | 0 | 0 | 115.8 | Y265 T269 G273 | Y265-F271 AromaticContact CD1-CE2 3.9Å; Y265-F271 HydrophobicContact CD1-CE2 3.9Å; Y265-F271 HydrophobicContact CD1-CZ 4.13Å; Y265-F271 AromaticContact CE1-CE2 3.82Å; Y265-F271 HydrophobicContact CE1-CE2 3.82Å; Y265-F271 AromaticContact CE1-CZ 3.7Å; Y265-F271 HydrophobicContact CE1-CZ 3.7Å; T269-F271 VanDerWaalsContact C-N 3.31Å; T269-F271 PolarHBondContact O-N 3.04Å; F271-G273 VanDerWaalsContact C-N 3.3Å |
| 272 | R | 55.2 | Low | 44.6 | Very low | 246 Ų | 246 | 96.6 Ų | 96.6 | 93% | 0.928 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.1 | 172.3 | -148.1 | 173 | -163.3 | -84.2 | -3.5 | 114.3 | L270 | L270-R272 PolarHBondContact O-N 2.93Š|
| 273 | G | 37.2 | Very low | 44.2 | Very low | 65 Ų | 65 | 95.9 Ų | 95.9 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 153.2 | 117.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F271 | F271-G273 VanDerWaalsContact C-N 3.3Š|
| 274 | G | 36.4 | Very low | 43.9 | Very low | 85 Ų | 85 | 99.3 Ų | 99.3 | 88% | 0.876 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 81.6 | 85.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 275 | G | 31.8 | Very low | 43.6 | Very low | 70 Ų | 70 | 97.4 Ų | 97.4 | 72% | 0.722 | 55% | 0.548 | S | S | * | . | trans | 96.7 | 109.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 276 | N | 38.3 | Very low | 42.9 | Very low | 110 Ų | 110 | 103 Ų | 103 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | trans | -148.4 | 145.2 | 137.6 | -93.5 | -42 | 0 | 0 | 0 | 108.4 | L270 | L270-N276 WeakPolarHBondContact CD1-ND2 3.25Š| ||
| 277 | V | 42.5 | Very low | 41.9 | Very low | 139 Ų | 139 | 98.2 Ų | 98.2 | 84% | 0.842 | 55% | 0.545 | S | S | * | . | trans | -95 | 109 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 278 | G | 41.9 | Very low | 40.9 | Very low | 12 Ų | 12 | 104.5 Ų | 104.5 | 12% | 0.124 | 57% | 0.569 | C | S | . | * | P | Polyproline II helix | trans | -72.4 | 142.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | F280 | G278-F280 WeakPolarHBondContact O-CE2 3.38Š|
| 279 | E | 36.8 | Very low | 39.7 | Very low | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.612 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 132.2 | 168.3 | -70 | -165.3 | 146.1 | 0 | 0 | 110.7 | ||
| 280 | F | 38.5 | Very low | 38.3 | Very low | 102 Ų | 102 | 113 Ų | 113 | 45% | 0.447 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -99.6 | 126.2 | 173.7 | -45 | -88.7 | 0 | 0 | 0 | 109.5 | L31 F35 W263 G278 | L31-F280 HydrophobicContact CD2-CE1 4.02Å; L31-F280 HydrophobicContact CD2-CZ 4.35Å; F35-F280 HydrophobicContact CZ-CZ 4.37Å; W263-F280 HydrophobicContact CH2-CD1 4.41Å; W263-F280 AromaticContact CH2-CE1 3.59Å; W263-F280 HydrophobicContact CH2-CE1 3.59Å; W263-F280 HydrophobicContact CH2-CZ 4.41Å; W263-F280 HydrophobicContact CZ2-CE1 4.07Å; W263-F280 AromaticContact CZ3-CE1 3.87Å; W263-F280 HydrophobicContact CZ3-CE1 3.87Å; G278-F280 WeakPolarHBondContact O-CE2 3.38Å |
| 281 | Q | 40.1 | Very low | 37.4 | Very low | 82 Ų | 82 | 119 Ų | 119 | 38% | 0.383 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.8 | 167.2 | -68 | -171.8 | 36.7 | 0 | 0 | 110.2 | ||
| 282 | L | 39.2 | Very low | 36.9 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 39% | 0.393 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.6 | 171.8 | -160.8 | 98.2 | 0 | 0 | 0 | 108.6 | I27 L259 | I27-L282 HydrophobicContact CD1-CD1 3.8Å; I27-L282 HydrophobicContact CD1-CD2 4.38Å; I27-L282 HydrophobicContact CG1-CD1 3.93Å; L259-L282 HydrophobicContact CD1-CD1 3.42Å; L259-L282 VanDerWaalsContact CD1-CD1 3.42Å; L259-L282 HydrophobicContact CD1-CG 4.28Å |
| 283 | T | 41.7 | Very low | 35.9 | Very low | 35 Ų | 35 | 111.5 Ų | 111.5 | 22% | 0.215 | 60% | 0.603 | C | S | . | * | trans | -125.8 | 98.7 | 177.7 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | N285 | T283-N285 PolarHBondContact O-N 3.37Å; T283-N285 VanDerWaalsContact O-N 3.15Å; T283-N285 PolarHBondContact O-ND2 3.3Å | ||
| 284 | D | 41 | Very low | 35.8 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | trans | -72.1 | 102.5 | 179.7 | -84.5 | -32 | 0 | 0 | 0 | 112.3 | Q23 F286 | Q23-D284 PolarHBondContact NE2-OD1 3.16Å; D284-F286 PolarHBondContact O-N 2.95Å; D284-F286 VanDerWaalsContact O-N 3.14Å | ||
| 285 | N | 39.2 | Very low | 35.8 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 41% | 0.412 | 58% | 0.583 | S | S | . | * | trans | -86.6 | 80.5 | 177.7 | -81.2 | -80.7 | 0 | 0 | 0 | 112.4 | T283 | T283-N285 PolarHBondContact O-N 3.37Å; T283-N285 VanDerWaalsContact O-N 3.15Å; T283-N285 PolarHBondContact O-ND2 3.3Å | ||
| 286 | F | 35.6 | Very low | 36 | Very low | 187 Ų | 187 | 118.6 Ų | 118.6 | 82% | 0.82 | 58% | 0.575 | S | S | * | * | trans | 41.8 | 99.7 | 156.9 | -63.4 | -82.3 | 0 | 0 | 0 | 119.1 | D284 K288 | D284-F286 PolarHBondContact O-N 2.95Å; D284-F286 VanDerWaalsContact O-N 3.14Å; F286-K288 PolarHBondContact O-N 2.99Å | ||
| 287 | F | 30.7 | Very low | 35.9 | Very low | 74 Ų | 74 | 119.2 Ų | 119.2 | 33% | 0.325 | 57% | 0.574 | S | S | . | * | trans | -63.4 | 100 | 159.9 | -73.9 | -79.1 | 0 | 0 | 0 | 112.1 | M19 L254 V257 I289 | M19-F287 HydrophobicContact CE-CD2 3.68Å; M19-F287 HydrophobicContact CE-CE2 3.69Å; M19-F287 HydrophobicContact CE-CG 4.21Å; M19-F287 HydrophobicContact CE-CZ 4.22Å; M19-F287 HydrophobicContact CG-CE2 4.04Å; M19-F287 HydrophobicContact CG-CZ 4.44Å; M19-F287 HydrophobicContact SD-CD2 3.72Å; M19-F287 HydrophobicContact SD-CE2 3.43Å; M19-F287 WeakPolarHBondContact SD-CE2 3.29Å; M19-F287 HydrophobicContact SD-CZ 4.29Å; L254-F287 HydrophobicContact CD1-CE1 4.09Å; L254-F287 HydrophobicContact CD2-CD1 4.07Å; L254-F287 HydrophobicContact CD2-CE1 3.98Å; L254-F287 HydrophobicContact CG-CE1 4.48Å; V257-F287 HydrophobicContact CG2-CE1 3.71Å; V257-F287 HydrophobicContact CG2-CZ 3.76Å; F287-I289 VanDerWaalsContact C-N 3.33Å; F287-I289 PolarHBondContact O-N 3.13Å | ||
| 288 | K | 29.4 | Very low | 35.4 | Very low | 201 Ų | 201 | 117.8 Ų | 117.8 | 87% | 0.874 | 56% | 0.555 | S | S | * | * | trans | -77.7 | 82.1 | 169.3 | -170.2 | 171 | -175 | 167.9 | 0 | 111.1 | F286 R290 | F286-K288 PolarHBondContact O-N 2.99Å; K288-R290 PolarHBondContact O-N 3.28Å; K288-R290 VanDerWaalsContact O-N 3.08Å | ||
| 289 | I | 27 | Very low | 34.9 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 64% | 0.641 | 59% | 0.588 | S | S | * | * | trans | -63.2 | 110.2 | 169.6 | -58.5 | 175.6 | 0 | 0 | 0 | 108.7 | F287 I291 | F287-I289 VanDerWaalsContact C-N 3.33Å; F287-I289 PolarHBondContact O-N 3.13Å; I289-I291 HydrophobicContact CG2-CG1 4.11Å | ||
| 290 | R | 25.4 | Very low | 34.8 | Very low | 231 Ų | 231 | 125.5 Ų | 125.5 | 87% | 0.872 | 59% | 0.586 | S | S | * | * | trans | -87.4 | 117.5 | 162 | 176.7 | -177.8 | -90.8 | 166.5 | -8.4 | 107.7 | K288 | K288-R290 PolarHBondContact O-N 3.28Å; K288-R290 VanDerWaalsContact O-N 3.08Å | ||
| 291 | I | 29.7 | Very low | 34.4 | Very low | 218 Ų | 218 | 127.6 Ų | 127.6 | 100% | 1.118 | 60% | 0.598 | S | S | * | * | trans | -85 | 0 | 166.1 | -53 | 178.1 | 0 | 0 | 0 | 108.2 | I289 | I289-I291 HydrophobicContact CG2-CG1 4.11Š|
Retrieved 291 of 291 residues in 129.6 ms
(Link to these results)