| 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 | 39.4 | Very low | 36.5 | Very low | 242 Ų | 242 | 131.9 Ų | 131.9 | 100% | 1.192 | 68% | 0.675 | S | S | * | * | 0 | 145.5 | 0 | -77.1 | 177.4 | 170.3 | 0 | 0 | 108.6 | |||||
| 2 | K | 36.1 | Very low | 35.9 | Very low | 207 Ų | 207 | 134.3 Ų | 134.3 | 90% | 0.9 | 69% | 0.688 | S | S | * | * | trans | 43 | 92.8 | 161.2 | -63.5 | -170.9 | 175.4 | -174.7 | 0 | 118.9 | ||||
| 3 | S | 32.7 | Very low | 35.3 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -47.2 | -176.5 | 147.5 | 49.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 4 | P | 49.2 | Very low | 34.8 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 62% | 0.617 | 69% | 0.69 | S | S | * | * | cis | -141.3 | -155.5 | -39.8 | 39.1 | -19.1 | 0 | 0 | 0 | 112.7 | ||||
| 5 | L | 44.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 140 Ų | 140 | 65% | 0.654 | 71% | 0.706 | S | S | * | * | trans | 142.1 | 125.1 | 144.1 | -75.5 | 163.3 | 0 | 0 | 0 | 109.4 | Y7 | L5-Y7 HydrophobicContact CD2-CE2 4.23Š| ||
| 6 | Q | 33.5 | Very low | 33.5 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 62% | 0.621 | 70% | 0.701 | S | S | * | * | cis | 92.3 | 151.1 | 33.1 | -75.1 | -174.2 | -74.5 | 0 | 0 | 116.6 | ||||
| 7 | Y | 37.6 | Very low | 32.9 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 51% | 0.51 | 71% | 0.713 | S | S | . | * | trans | 93.7 | 145.4 | 174.8 | -60.1 | -61.8 | 0 | 0 | 0 | 117.4 | L5 E428 E540 | L5-Y7 HydrophobicContact CD2-CE2 4.23Å; Y7-E428 PolarHBondContact OH-O 2.83Å; Y7-E540 PolarHBondContact N-OE1 3.25Å | ||
| 8 | S | 32.8 | Very low | 32.5 | Very low | 52 Ų | 52 | 140.9 Ų | 140.9 | 36% | 0.364 | 72% | 0.715 | S | S | . | * | cis | -158.9 | -159.9 | -29.4 | -140.3 | 0 | 0 | 0 | 0 | 109.9 | A539 | S8-A539 VanDerWaalsContact OG-CB 3.24Å; S8-A539 WeakPolarHBondContact OG-CB 3.38Å | ||
| 9 | P | 34.6 | Very low | 32 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 53% | 0.532 | 73% | 0.727 | S | S | . | * | trans | -124.1 | -178.9 | -136.6 | 37.9 | -15.6 | 0 | 0 | 0 | 117.2 | V541 | P9-V541 HydrophobicContact CB-CB 3.75Å; P9-V541 HydrophobicContact CB-CG1 4.08Å | ||
| 10 | M | 29.2 | Very low | 31.7 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 59% | 0.586 | 72% | 0.716 | S | S | * | * | trans | -140.1 | 132.2 | 172.9 | -169.1 | -161 | -85.6 | 0 | 0 | 112 | ||||
| 11 | K | 32 | Very low | 31.6 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | trans | -169 | 117.2 | 158.2 | -114.3 | 176.3 | -174.6 | 176.1 | 0 | 110.6 | ||||
| 12 | I | 29.8 | Very low | 31.1 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | trans | -126.2 | 140.3 | 168.2 | -66.2 | 175.2 | 0 | 0 | 0 | 108.1 | ||||
| 13 | C | 28.6 | Very low | 31.2 | Very low | 78 Ų | 78 | 123 Ų | 123 | 53% | 0.527 | 65% | 0.652 | S | S | . | * | trans | -160.6 | 158.8 | 170.6 | -98.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 14 | W | 27.5 | Very low | 31.8 | Very low | 234 Ų | 234 | 119.1 Ų | 119.1 | 89% | 0.886 | 63% | 0.627 | S | S | * | * | trans | 70.5 | 87.4 | 177.7 | -62.7 | 97.1 | 0 | 0 | 0 | 116.5 | ||||
| 15 | L | 25.6 | Very low | 32.1 | Very low | 176 Ų | 176 | 115.3 Ų | 115.3 | 92% | 0.921 | 60% | 0.601 | S | S | * | * | trans | -112.8 | 86.8 | 162.5 | -171.2 | 122.3 | 0 | 0 | 0 | 109.1 | ||||
| 16 | T | 23.9 | Very low | 32.7 | Very low | 103 Ų | 103 | 109.6 Ų | 109.6 | 63% | 0.632 | 57% | 0.571 | S | S | * | * | trans | -149.3 | 130.9 | 173.2 | 43.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 17 | M | 23.3 | Very low | 33.9 | Very low | 183 Ų | 183 | 103.3 Ų | 103.3 | 90% | 0.901 | 54% | 0.542 | S | S | * | . | trans | 59 | 99.5 | -178.9 | -57.8 | 179.6 | 70.7 | 0 | 0 | 115.5 | ||||
| 18 | M | 24.6 | Very low | 34.8 | Very low | 151 Ų | 151 | 97.2 Ų | 97.2 | 74% | 0.744 | 52% | 0.518 | S | S | * | . | -170.2 | 116.5 | 122.9 | -104.8 | 167.9 | -179.4 | 0 | 0 | 111.2 | T20 | M18-T20 HydrophobicContact CB-CG2 3.84Å; M18-T20 HydrophobicContact CG-CG2 3.7Å; M18-T20 PolarHBondContact O-N 3.47Å; M18-T20 HydrophobicContact SD-CG2 4.06Å | |||
| 19 | V | 24.1 | Very low | 36 | Very low | 157 Ų | 157 | 94.8 Ų | 94.8 | 95% | 0.952 | 50% | 0.501 | S | S | * | . | trans | -81.4 | 92.1 | 158 | 176.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 20 | T | 25.9 | Very low | 37.3 | Very low | 83 Ų | 83 | 91.1 Ų | 91.1 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | trans | -136.3 | 94.6 | -179.3 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | M18 C22 | M18-T20 HydrophobicContact CB-CG2 3.84Å; M18-T20 HydrophobicContact CG-CG2 3.7Å; M18-T20 PolarHBondContact O-N 3.47Å; M18-T20 HydrophobicContact SD-CG2 4.06Å; T20-C22 PolarHBondContact O-N 2.77Å | ||
| 21 | Q | 28.6 | Very low | 38.7 | Very low | 132 Ų | 132 | 86.2 Ų | 86.2 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | 43.5 | 81.1 | 129.6 | -83.3 | 152.4 | -3.3 | 0 | 0 | 115 | A23 E150 | Q21-A23 HydrophobicContact CB-CB 4.43Å; Q21-A23 PolarHBondContact O-N 2.61Å; Q21-E150 WeakPolarHBondContact CA-OE2 3.19Å; Q21-E150 WeakPolarHBondContact CB-OE2 3.04Å; Q21-E150 HydrophobicContact CG-CG 4.06Å; Q21-E150 WeakPolarHBondContact CG-OE1 3.26Å; Q21-E150 WeakPolarHBondContact CG-OE2 3.49Å | |||
| 22 | C | 29.3 | Very low | 40 | Very low | 110 Ų | 110 | 79.7 Ų | 79.7 | 74% | 0.743 | 43% | 0.426 | S | S | * | . | trans | -75.7 | 57.4 | 160.4 | -160.7 | 0 | 0 | 0 | 0 | 109.2 | T20 A24 E150 | T20-C22 PolarHBondContact O-N 2.77Å; C22-A24 VanDerWaalsContact C-N 3.28Å; C22-A24 PolarHBondContact O-N 3.26Å; C22-E150 PolarHBondContact N-OE2 2.65Å | ||
| 23 | A | 38.3 | Very low | 41.5 | Very low | 13 Ų | 13 | 72.4 Ų | 72.4 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | trans | -68.4 | 86.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q21 E25 E150 R380 | Q21-A23 HydrophobicContact CB-CB 4.43Å; Q21-A23 PolarHBondContact O-N 2.61Å; A23-E25 PolarHBondContact O-N 3.12Å; A23-E150 WeakPolarHBondContact CA-OE2 3.42Å; A23-E150 HydrophobicContact CB-CB 3.76Å; A23-E150 HydrophobicContact CB-CG 4.45Å; A23-E150 VanDerWaalsContact CB-OE2 3.25Å; A23-E150 WeakPolarHBondContact CB-OE2 3.4Å; A23-E150 PolarHBondContact N-OE2 2.67Å; A23-R380 VanDerWaalsContact CB-NH1 3.31Å; A23-R380 WeakPolarHBondContact O-CD 3.43Å; A23-R380 PolarHBondContact O-NH1 3.04Å; A23-R380 VanDerWaalsContact O-NH1 3.11Å | ||
| 24 | A | 45.8 | Very low | 43 | Very low | 30 Ų | 30 | 72.5 Ų | 72.5 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | trans | -50.8 | 137 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | C22 D151 | C22-A24 VanDerWaalsContact C-N 3.28Å; C22-A24 PolarHBondContact O-N 3.26Å; A24-D151 VanDerWaalsContact C-CG 3.5Å; A24-D151 WeakPolarHBondContact CB-OD1 3.16Å; A24-D151 VanDerWaalsContact CB-OD2 3.32Å; A24-D151 WeakPolarHBondContact CB-OD2 3.48Å; A24-D151 WeakPolarHBondContact O-CA 3.44Å | ||
| 25 | E | 54.3 | Low | 44.6 | Very low | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.065 | 35% | 0.353 | C | S | . | . | trans | -125.7 | 89.1 | 158.6 | -79.5 | 175.2 | -162.9 | 0 | 0 | 104.8 | A23 F27 T28 S29 D151 R380 I398 K400 | A23-E25 PolarHBondContact O-N 3.12Å; E25-F27 PolarHBondContact O-N 2.68Å; E25-T28 HydrophobicContact CB-CG2 4.06Å; E25-T28 WeakPolarHBondContact CB-OG1 3.47Å; E25-T28 HydrophobicContact CG-CG2 4.48Å; E25-T28 PolarHBondContact O-N 2.91Å; E25-T28 WeakPolarHBondContact OE2-CB 3.41Å; E25-T28 WeakPolarHBondContact OE2-CG2 3.4Å; E25-T28 PolarHBondContact OE2-OG1 3.3Å; E25-S29 PolarHBondContact O-N 2.68Å; E25-S29 VanDerWaalsContact O-N 3.09Å; E25-D151 VanDerWaalsContact CA-OD1 3.32Å; E25-D151 WeakPolarHBondContact CA-OD1 3.34Å; E25-D151 PolarHBondContact N-OD1 3.5Å; E25-R380 IonicContact OE1-CZ 2.79Å; E25-R380 IonicContact OE1-NH1 2.61Å; E25-R380 PolarHBondContact OE1-NH1 3.32Å; E25-R380 IonicContact OE1-NH2 2.68Å; E25-R380 PolarHBondContact OE1-NH2 3.13Å; E25-R380 IonicContact OE2-NH1 3.93Å; E25-R380 IonicContact OE2-NH2 3.56Å; E25-I398 WeakPolarHBondContact OE2-CG2 3.49Å; E25-K400 WeakPolarHBondContact O-CE 3.31Å; E25-K400 PolarHBondContact O-NZ 2.82Å | ||
| 26 | L | 56.8 | Low | 46.2 | Very low | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -52.3 | -38.1 | 169.4 | -100.8 | 141.5 | 0 | 0 | 0 | 111.6 | S29 M30 L36 V144 P147 D151 I608 | L26-S29 CarbonylContact O-C 3.45Å; L26-S29 PolarHBondContact O-N 2.95Å; L26-S29 VanDerWaalsContact O-O 3.05Å; L26-M30 PolarHBondContact O-N 3.41Å; L26-L36 HydrophobicContact CD1-CD1 4.19Å; L26-L36 HydrophobicContact CD1-CD2 3.77Å; L26-L36 HydrophobicContact CD2-CB 4.37Å; L26-L36 HydrophobicContact CD2-CD2 3.71Å; L26-L36 HydrophobicContact CD2-CG 4.42Å; L26-L36 HydrophobicContact CG-CD2 4.35Å; L26-V144 HydrophobicContact CD1-CG1 4.44Å; L26-V144 HydrophobicContact CD2-CG1 3.64Å; L26-V144 HydrophobicContact CG-CG1 4.17Å; L26-P147 HydrophobicContact CD1-CB 3.85Å; L26-P147 HydrophobicContact CD1-CG 4.41Å; L26-D151 WeakPolarHBondContact CB-OD1 3.3Å; L26-D151 PolarHBondContact N-OD1 3.43Å; L26-I608 HydrophobicContact CB-CD1 3.58Å; L26-I608 HydrophobicContact CD1-CD1 4.27Å; L26-I608 HydrophobicContact CD1-CG1 4.39Å; L26-I608 HydrophobicContact CD2-CD1 4.42Å; L26-I608 HydrophobicContact CG-CD1 4.3Å |
| 27 | F | 59.8 | Low | 48 | Very low | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -51.5 | 175.8 | -163.6 | -119.7 | 0 | 0 | 0 | 112.9 | E25 S29 M155 L159 G439 I440 P601 A604 | E25-F27 PolarHBondContact O-N 2.68Å; F27-S29 PolarHBondContact O-N 2.62Å; F27-M155 HydrophobicContact CB-CE 3.92Å; F27-M155 HydrophobicContact CB-CG 3.41Å; F27-M155 VanDerWaalsContact CB-CG 3.41Å; F27-M155 HydrophobicContact CB-SD 4.42Å; F27-M155 HydrophobicContact CD1-CB 4.48Å; F27-M155 HydrophobicContact CD1-CG 4.13Å; F27-M155 HydrophobicContact CD2-CE 3.5Å; F27-M155 HydrophobicContact CD2-CG 3.88Å; F27-M155 HydrophobicContact CE2-CE 4.27Å; F27-M155 HydrophobicContact CG-CB 4.36Å; F27-M155 HydrophobicContact CG-CE 4.05Å; F27-M155 HydrophobicContact CG-CG 3.59Å; F27-L159 HydrophobicContact CE1-CG 4.42Å; F27-L159 HydrophobicContact CZ-CD2 3.86Å; F27-L159 HydrophobicContact CZ-CG 3.93Å; F27-G439 CarbonylContact O-C 3.55Å; F27-G439 WeakPolarHBondContact O-CA 3.25Å; F27-I440 HydrophobicContact CD1-CB 4.24Å; F27-I440 HydrophobicContact CD1-CG2 4.31Å; F27-I440 WeakPolarHBondContact CD1-O 3.27Å; F27-I440 HydrophobicContact CD2-CB 4.2Å; F27-I440 HydrophobicContact CD2-CD1 4.38Å; F27-I440 HydrophobicContact CD2-CG2 4.44Å; F27-I440 HydrophobicContact CE1-CB 4.06Å; F27-I440 HydrophobicContact CE1-CG2 3.63Å; F27-I440 HydrophobicContact CE2-CB 4.03Å; F27-I440 HydrophobicContact CE2-CD1 4.1Å; F27-I440 HydrophobicContact CE2-CG2 3.8Å; F27-I440 HydrophobicContact CG-CB 4.32Å; F27-I440 HydrophobicContact CZ-CB 3.97Å; F27-I440 HydrophobicContact CZ-CG2 3.35Å; F27-I440 PolarHBondContact O-N 2.68Å; F27-P601 HydrophobicContact CE2-CB 4.01Å; F27-P601 WeakPolarHBondContact CE2-O 3.25Å; F27-P601 HydrophobicContact CZ-CB 3.96Å; F27-A604 HydrophobicContact CD2-CB 4.15Å; F27-A604 HydrophobicContact CE2-CB 4.37Å |
| 28 | T | 55.5 | Low | 49.8 | Very low | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 9.2 | -175.9 | 79.8 | 0 | 0 | 0 | 0 | 112.5 | E25 I398 G439 I440 | E25-T28 HydrophobicContact CB-CG2 4.06Å; E25-T28 WeakPolarHBondContact CB-OG1 3.47Å; E25-T28 HydrophobicContact CG-CG2 4.48Å; E25-T28 PolarHBondContact O-N 2.91Å; E25-T28 WeakPolarHBondContact OE2-CB 3.41Å; E25-T28 WeakPolarHBondContact OE2-CG2 3.4Å; E25-T28 PolarHBondContact OE2-OG1 3.3Å; T28-I398 VanDerWaalsContact CB-CG2 3.45Å; T28-I398 HydrophobicContact CG2-CG2 3.63Å; T28-I398 VanDerWaalsContact OG1-CG2 3.25Å; T28-I398 WeakPolarHBondContact OG1-CG2 3.36Å; T28-G439 PolarHBondContact O-N 3.26Å; T28-I440 WeakPolarHBondContact CG2-O 3.4Å |
| 29 | S | 58.1 | Low | 51.4 | Low | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -155.9 | 87.6 | 161.8 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | E25 L26 F27 A31 K400 N437 | E25-S29 PolarHBondContact O-N 2.68Å; E25-S29 VanDerWaalsContact O-N 3.09Å; L26-S29 CarbonylContact O-C 3.45Å; L26-S29 PolarHBondContact O-N 2.95Å; L26-S29 VanDerWaalsContact O-O 3.05Å; F27-S29 PolarHBondContact O-N 2.62Å; S29-A31 PolarHBondContact O-N 2.83Å; S29-K400 VanDerWaalsContact CB-CD 3.45Å; S29-K400 VanDerWaalsContact CB-CG 3.49Å; S29-K400 WeakPolarHBondContact OG-CD 3.35Å; S29-N437 WeakPolarHBondContact CA-OD1 3.2Å; S29-N437 VanDerWaalsContact CB-OD1 3.28Å; S29-N437 WeakPolarHBondContact CB-OD1 3.19Å; S29-N437 PolarHBondContact OG-OD1 3.49Å | ||
| 30 | M | 63.2 | Low | 53.1 | Low | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | trans | -74.2 | 18.2 | -179.9 | -62 | -165.8 | -63 | 0 | 0 | 114.4 | L26 Y32 I33 I440 G526 Y599 | L26-M30 PolarHBondContact O-N 3.41Å; M30-Y32 PolarHBondContact O-N 2.66Å; M30-I33 HydrophobicContact CB-CD1 4.47Å; M30-I33 HydrophobicContact CG-CD1 4.29Å; M30-I33 PolarHBondContact O-N 3.4Å; M30-I33 HydrophobicContact SD-CD1 3.99Å; M30-I440 HydrophobicContact CE-CD1 3.95Å; M30-I440 HydrophobicContact CE-CG1 3.64Å; M30-I440 HydrophobicContact SD-CD1 3.42Å; M30-I440 WeakPolarHBondContact SD-CD1 3.26Å; M30-I440 HydrophobicContact SD-CG1 3.65Å; M30-G526 WeakPolarHBondContact CE-O 3.46Å; M30-Y599 HydrophobicContact CE-CD1 3.7Å; M30-Y599 HydrophobicContact CE-CE1 4.28Å; M30-Y599 HydrophobicContact SD-CD1 3.85Å; M30-Y599 HydrophobicContact SD-CE1 4.45Å | ||
| 31 | A | 57.1 | Low | 54.8 | Low | 15 Ų | 15 | 33.7 Ų | 33.7 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -0.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S29 M375 L378 W529 | S29-A31 PolarHBondContact O-N 2.83Å; A31-M375 WeakPolarHBondContact O-CE 3.46Å; A31-L378 HydrophobicContact CB-CD1 4.22Å; A31-W529 HydrophobicContact CB-CH2 3.75Å; A31-W529 HydrophobicContact CB-CZ2 3.4Å; A31-W529 VanDerWaalsContact CB-CZ2 3.4Å |
| 32 | Y | 59.4 | Low | 56.5 | Low | 18 Ų | 18 | 29.2 Ų | 29.2 | 7% | 0.071 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | 7.2 | -164.8 | -59.3 | -77.7 | 0 | 0 | 0 | 114.5 | M30 D34 S35 L36 P143 V144 M375 L378 K400 | M30-Y32 PolarHBondContact O-N 2.66Å; Y32-D34 VanDerWaalsContact C-N 3.32Å; Y32-D34 PolarHBondContact O-N 2.91Å; Y32-S35 WeakPolarHBondContact O-CA 3.34Å; Y32-S35 WeakPolarHBondContact O-CB 3.47Å; Y32-S35 PolarHBondContact O-N 3.13Å; Y32-L36 PolarHBondContact O-N 2.85Å; Y32-P143 HydrophobicContact CD1-CB 3.75Å; Y32-P143 HydrophobicContact CE1-CB 4.07Å; Y32-V144 HydrophobicContact CD1-CG1 4.4Å; Y32-V144 HydrophobicContact CD1-CG2 4.48Å; Y32-V144 HydrophobicContact CD2-CG1 4.27Å; Y32-V144 HydrophobicContact CG-CB 4.5Å; Y32-V144 HydrophobicContact CG-CG1 3.77Å; Y32-V144 HydrophobicContact CG-CG2 4.49Å; Y32-M375 HydrophobicContact CE1-CB 4.45Å; Y32-M375 VanDerWaalsContact CE1-O 3.22Å; Y32-M375 WeakPolarHBondContact CE1-O 3.38Å; Y32-M375 VanDerWaalsContact CZ-O 3.31Å; Y32-M375 PolarHBondContact OH-O 3.18Å; Y32-L378 HydrophobicContact CE2-CD1 4.32Å; Y32-L378 WeakPolarHBondContact OH-CB 3.24Å; Y32-K400 HydrophobicContact CE2-CD 4.46Å |
| 33 | I | 62.2 | Low | 58.1 | Low | 9 Ų | 9 | 24 Ų | 24 | 5% | 0.046 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -36 | -162 | -150.2 | 161.6 | 0 | 0 | 0 | 112.9 | M30 L36 L598 Y599 | M30-I33 HydrophobicContact CB-CD1 4.47Å; M30-I33 HydrophobicContact CG-CD1 4.29Å; M30-I33 PolarHBondContact O-N 3.4Å; M30-I33 HydrophobicContact SD-CD1 3.99Å; I33-L36 PolarHBondContact O-N 2.95Å; I33-L598 HydrophobicContact CD1-CB 3.51Å; I33-L598 WeakPolarHBondContact CD1-O 3.3Å; I33-L598 HydrophobicContact CG1-CB 3.8Å; I33-L598 HydrophobicContact CG1-CD1 3.99Å; I33-Y599 HydrophobicContact CG2-CE1 3.74Å |
| 34 | D | 59.9 | Low | 59.3 | Low | 80 Ų | 80 | 23.8 Ų | 23.8 | 43% | 0.428 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 171.6 | -56.5 | -72.5 | 0 | 0 | 0 | 112.3 | Y32 L37 S595 | Y32-D34 VanDerWaalsContact C-N 3.32Å; Y32-D34 PolarHBondContact O-N 2.91Å; D34-L37 WeakPolarHBondContact O-CB 3.22Å; D34-L37 PolarHBondContact O-N 2.76Å; D34-S595 WeakPolarHBondContact OD1-CB 3.43Å; D34-S595 PolarHBondContact OD1-OG 3.5Å |
| 35 | S | 60.5 | Low | 60.3 | Low | 32 Ų | 32 | 29.4 Ų | 29.4 | 22% | 0.224 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.4 | -40.9 | 179.3 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | Y32 L37 D38 S39 V144 | Y32-S35 WeakPolarHBondContact O-CA 3.34Å; Y32-S35 WeakPolarHBondContact O-CB 3.47Å; Y32-S35 PolarHBondContact O-N 3.13Å; S35-L37 PolarHBondContact O-N 3.42Å; S35-D38 PolarHBondContact O-N 3.28Å; S35-D38 VanDerWaalsContact O-N 3.09Å; S35-S39 PolarHBondContact O-N 3.29Å; S35-S39 PolarHBondContact O-OG 3.11Å; S35-V144 VanDerWaalsContact CB-CG2 3.5Å; S35-V144 WeakPolarHBondContact OG-CG2 3.28Å |
| 36 | L | 60.4 | Low | 60.7 | Low | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -29.1 | -178.4 | -168.1 | 73.7 | 0 | 0 | 0 | 112.3 | L26 Y32 I33 S39 S40 V144 G145 L146 F607 I608 L611 | L26-L36 HydrophobicContact CD1-CD1 4.19Å; L26-L36 HydrophobicContact CD1-CD2 3.77Å; L26-L36 HydrophobicContact CD2-CB 4.37Å; L26-L36 HydrophobicContact CD2-CD2 3.71Å; L26-L36 HydrophobicContact CD2-CG 4.42Å; L26-L36 HydrophobicContact CG-CD2 4.35Å; Y32-L36 PolarHBondContact O-N 2.85Å; I33-L36 PolarHBondContact O-N 2.95Å; L36-S39 WeakPolarHBondContact O-CB 3.45Å; L36-S40 PolarHBondContact O-N 3.25Å; L36-V144 HydrophobicContact CB-CG1 4.46Å; L36-V144 HydrophobicContact CB-CG2 4.24Å; L36-V144 HydrophobicContact CD1-CB 4.07Å; L36-V144 HydrophobicContact CD1-CG1 4.16Å; L36-V144 HydrophobicContact CD1-CG2 4.41Å; L36-G145 WeakPolarHBondContact CD1-O 3.41Å; L36-L146 HydrophobicContact CD1-CD2 4.45Å; L36-F607 HydrophobicContact CB-CE1 4.36Å; L36-F607 HydrophobicContact CD2-CD1 4.16Å; L36-F607 HydrophobicContact CD2-CE1 3.68Å; L36-F607 HydrophobicContact CG-CE1 3.96Å; L36-I608 HydrophobicContact CD2-CD1 4.38Å; L36-I608 HydrophobicContact CD2-CG1 3.93Å; L36-L611 HydrophobicContact CD1-CD2 3.94Å; L36-L611 HydrophobicContact CD2-CD2 4.04Å; L36-L611 HydrophobicContact CG-CD2 3.84Å |
| 37 | L | 62.1 | Low | 61.1 | Low | 20 Ų | 20 | 28.5 Ų | 28.5 | 11% | 0.105 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -54.8 | 170.8 | -93.9 | 159.8 | 0 | 0 | 0 | 111.1 | D34 S35 S39 S40 L591 L598 F607 | D34-L37 WeakPolarHBondContact O-CB 3.22Å; D34-L37 PolarHBondContact O-N 2.76Å; S35-L37 PolarHBondContact O-N 3.42Å; L37-S39 VanDerWaalsContact C-N 3.32Å; L37-S39 PolarHBondContact O-N 2.84Å; L37-S40 PolarHBondContact O-N 3.23Å; L37-S40 PolarHBondContact O-OG 3.12Å; L37-L591 HydrophobicContact CB-CD2 3.96Å; L37-L591 HydrophobicContact CD2-CD2 3.92Å; L37-L591 HydrophobicContact CD2-CG 3.92Å; L37-L598 HydrophobicContact CD1-CD1 3.68Å; L37-L598 HydrophobicContact CG-CD1 4.03Å; L37-F607 HydrophobicContact CD2-CE2 4.47Å; L37-F607 HydrophobicContact CD2-CZ 4.15Å; L37-F607 HydrophobicContact CG-CE1 4.36Å; L37-F607 HydrophobicContact CG-CZ 4.2Å |
| 38 | D | 61 | Low | 61.5 | Low | 86 Ų | 86 | 33.1 Ų | 33.1 | 46% | 0.46 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -35.7 | 178.6 | -86.9 | -36.1 | 0 | 0 | 0 | 112.6 | S35 S40 R41 | S35-D38 PolarHBondContact O-N 3.28Å; S35-D38 VanDerWaalsContact O-N 3.09Å; D38-S40 PolarHBondContact O-N 3.38Å; D38-R41 WeakPolarHBondContact O-CB 3.4Å; D38-R41 PolarHBondContact O-N 3.33Å; D38-R41 IonicContact OD1-CZ 3.44Å; D38-R41 IonicContact OD1-NH1 2.83Å; D38-R41 PolarHBondContact OD1-NH1 2.73Å |
| 39 | S | 57.2 | Low | 62 | Low | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -49.7 | -42.6 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | S35 L36 L37 R41 E42 Y136 | S35-S39 PolarHBondContact O-N 3.29Å; S35-S39 PolarHBondContact O-OG 3.11Å; L36-S39 WeakPolarHBondContact O-CB 3.45Å; L37-S39 VanDerWaalsContact C-N 3.32Å; L37-S39 PolarHBondContact O-N 2.84Å; S39-R41 PolarHBondContact O-N 3.23Å; S39-E42 PolarHBondContact O-N 3.38Å; S39-E42 VanDerWaalsContact O-N 3.1Å; S39-Y136 WeakPolarHBondContact CA-OH 3.34Å; S39-Y136 WeakPolarHBondContact CB-OH 3.4Å; S39-Y136 WeakPolarHBondContact OG-CE1 3.39Å; S39-Y136 VanDerWaalsContact OG-CZ 3.3Å; S39-Y136 PolarHBondContact OG-OH 3.36Å |
| 40 | S | 60.2 | Low | 62.3 | Low | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -28.4 | -178.2 | 73.4 | 0 | 0 | 0 | 0 | 113.6 | L36 L37 D38 E42 K587 | L36-S40 PolarHBondContact O-N 3.25Å; L37-S40 PolarHBondContact O-N 3.23Å; L37-S40 PolarHBondContact O-OG 3.12Å; D38-S40 PolarHBondContact O-N 3.38Å; S40-E42 VanDerWaalsContact C-N 3.34Å; S40-K587 WeakPolarHBondContact O-CG 3.35Å |
| 41 | R | 60.9 | Low | 62.6 | Low | 130 Ų | 130 | 34 Ų | 34 | 49% | 0.491 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -69.3 | -33.3 | 177.8 | -66.1 | 177.3 | 155.3 | 143 | -2 | 112.8 | D38 S39 L591 | D38-R41 WeakPolarHBondContact O-CB 3.4Å; D38-R41 PolarHBondContact O-N 3.33Å; D38-R41 IonicContact OD1-CZ 3.44Å; D38-R41 IonicContact OD1-NH1 2.83Å; D38-R41 PolarHBondContact OD1-NH1 2.73Å; S39-R41 PolarHBondContact O-N 3.23Å; R41-L591 HydrophobicContact CG-CD1 3.56Å |
| 42 | E | 64.2 | Low | 63.2 | Low | 37 Ų | 37 | 35.1 Ų | 35.1 | 17% | 0.173 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -90.5 | -8.1 | -163.3 | -62.5 | -61.5 | 153.2 | 0 | 0 | 113.2 | S39 S40 A44 R45 I46 I132 | S39-E42 PolarHBondContact O-N 3.38Å; S39-E42 VanDerWaalsContact O-N 3.1Å; S40-E42 VanDerWaalsContact C-N 3.34Å; E42-A44 PolarHBondContact O-N 3.05Å; E42-A44 VanDerWaalsContact O-N 3.13Å; E42-R45 CarbonylContact O-C 3.4Å; E42-R45 WeakPolarHBondContact O-CA 3.44Å; E42-R45 PolarHBondContact O-N 3.17Å; E42-R45 IonicContact OE1-CZ 2.9Å; E42-R45 IonicContact OE1-NH1 3.02Å; E42-R45 PolarHBondContact OE1-NH1 3.42Å; E42-R45 IonicContact OE1-NH2 3.75Å; E42-R45 VanDerWaalsContact OE2-CD 3.25Å; E42-R45 WeakPolarHBondContact OE2-CD 3.31Å; E42-R45 IonicContact OE2-CZ 3.83Å; E42-R45 IonicContact OE2-NE 2.62Å; E42-R45 IonicContact OE2-NH1 3.8Å; E42-R45 PolarHBondContact OE2-NH1 2.97Å; E42-I46 PolarHBondContact O-N 3.29Å; E42-I132 HydrophobicContact CB-CG2 3.46Å; E42-I132 VanDerWaalsContact CB-CG2 3.46Å; E42-I132 HydrophobicContact CG-CG2 4.25Å |
| 43 | V | 62.7 | Low | 63.5 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.3 | -27.3 | 178.9 | -169.9 | 0 | 0 | 0 | 0 | 113.4 | I46 I47 L146 Y583 W615 | V43-I46 WeakPolarHBondContact O-CB 3.5Å; V43-I47 HydrophobicContact CG1-CD1 4.45Å; V43-I47 WeakPolarHBondContact O-CD1 3.4Å; V43-I47 WeakPolarHBondContact O-CG1 3.42Å; V43-L146 HydrophobicContact CG2-CD1 3.91Å; V43-Y583 HydrophobicContact CB-CD1 3.73Å; V43-Y583 HydrophobicContact CB-CE1 3.77Å; V43-Y583 HydrophobicContact CB-CG 4.41Å; V43-Y583 HydrophobicContact CG1-CD1 3.76Å; V43-Y583 HydrophobicContact CG1-CD2 4.4Å; V43-Y583 HydrophobicContact CG1-CE1 3.53Å; V43-Y583 HydrophobicContact CG1-CE2 4.21Å; V43-Y583 HydrophobicContact CG1-CG 4.16Å; V43-Y583 HydrophobicContact CG2-CD1 4.43Å; V43-Y583 HydrophobicContact CG2-CE1 4.1Å; V43-W615 HydrophobicContact CG1-CE3 3.99Å; V43-W615 HydrophobicContact CG1-CZ3 3.91Å |
| 44 | A | 63.6 | Low | 63.8 | Low | 9 Ų | 9 | 34.6 Ų | 34.6 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.2 | -43.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E42 I46 I47 D48 R584 | E42-A44 PolarHBondContact O-N 3.05Å; E42-A44 VanDerWaalsContact O-N 3.13Å; A44-I46 VanDerWaalsContact C-N 3.35Å; A44-I47 PolarHBondContact O-N 2.93Å; A44-D48 PolarHBondContact O-N 3.09Å; A44-R584 HydrophobicContact CB-CB 3.97Å; A44-R584 HydrophobicContact CB-CG 4.48Å |
| 45 | R | 66.8 | Low | 64.6 | Low | 148 Ų | 148 | 34.9 Ų | 34.9 | 56% | 0.558 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -71.9 | -28.6 | 180 | -57 | -159.8 | -167.6 | 123.1 | 5.3 | 112.8 | E42 A49 | E42-R45 CarbonylContact O-C 3.4Å; E42-R45 WeakPolarHBondContact O-CA 3.44Å; E42-R45 PolarHBondContact O-N 3.17Å; E42-R45 IonicContact OE1-CZ 2.9Å; E42-R45 IonicContact OE1-NH1 3.02Å; E42-R45 PolarHBondContact OE1-NH1 3.42Å; E42-R45 IonicContact OE1-NH2 3.75Å; E42-R45 VanDerWaalsContact OE2-CD 3.25Å; E42-R45 WeakPolarHBondContact OE2-CD 3.31Å; E42-R45 IonicContact OE2-CZ 3.83Å; E42-R45 IonicContact OE2-NE 2.62Å; E42-R45 IonicContact OE2-NH1 3.8Å; E42-R45 PolarHBondContact OE2-NH1 2.97Å; R45-A49 WeakPolarHBondContact O-CB 3.28Å; R45-A49 PolarHBondContact O-N 3.1Å |
| 46 | I | 62.8 | Low | 65.3 | Low | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -48.8 | -59.9 | 166.3 | -74.8 | -177.9 | 0 | 0 | 0 | 109.9 | E42 V43 A44 A49 Y50 I132 I133 Y136 W615 M622 | E42-I46 PolarHBondContact O-N 3.29Å; V43-I46 WeakPolarHBondContact O-CB 3.5Å; A44-I46 VanDerWaalsContact C-N 3.35Å; I46-A49 PolarHBondContact O-N 3.18Å; I46-Y50 WeakPolarHBondContact O-CB 3.43Å; I46-Y50 PolarHBondContact O-N 2.94Å; I46-I132 HydrophobicContact CD1-CG2 4.44Å; I46-I132 WeakPolarHBondContact CD1-O 3.46Å; I46-I132 HydrophobicContact CG1-CG2 3.86Å; I46-I132 WeakPolarHBondContact CG1-O 3.44Å; I46-I133 HydrophobicContact CB-CG1 4.18Å; I46-I133 HydrophobicContact CG1-CG1 3.97Å; I46-I133 HydrophobicContact CG2-CD1 4.19Å; I46-I133 HydrophobicContact CG2-CG1 3.84Å; I46-Y136 HydrophobicContact CD1-CD2 3.67Å; I46-Y136 HydrophobicContact CD1-CE2 4.34Å; I46-Y136 HydrophobicContact CD1-CG 4.41Å; I46-W615 HydrophobicContact CD1-CH2 4.37Å; I46-W615 HydrophobicContact CD1-CZ3 4.44Å; I46-W615 HydrophobicContact CG2-CH2 4.34Å; I46-W615 HydrophobicContact CG2-CZ3 4.44Å; I46-M622 HydrophobicContact CG2-CE 3.94Å; I46-M622 HydrophobicContact CG2-SD 4.2Å |
| 47 | I | 65.7 | Low | 66 | Low | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.8 | -44.8 | -166 | -59.6 | 163.1 | 0 | 0 | 0 | 110.1 | V43 A44 A49 V51 L576 A580 V618 | V43-I47 HydrophobicContact CG1-CD1 4.45Å; V43-I47 WeakPolarHBondContact O-CD1 3.4Å; V43-I47 WeakPolarHBondContact O-CG1 3.42Å; A44-I47 PolarHBondContact O-N 2.93Å; I47-A49 VanDerWaalsContact C-N 3.28Å; I47-A49 PolarHBondContact O-N 3.23Å; I47-V51 WeakPolarHBondContact O-CB 3.18Å; I47-V51 VanDerWaalsContact O-CG2 3.3Å; I47-V51 WeakPolarHBondContact O-CG2 2.93Å; I47-V51 PolarHBondContact O-N 3.41Å; I47-L576 HydrophobicContact CG2-CB 3.99Å; I47-L576 HydrophobicContact CG2-CD2 4.44Å; I47-L576 WeakPolarHBondContact CG2-O 3.44Å; I47-A580 HydrophobicContact CB-CB 3.78Å; I47-A580 HydrophobicContact CD1-CB 4.36Å; I47-A580 HydrophobicContact CG2-CB 3.81Å; I47-V618 HydrophobicContact CD1-CG1 3.74Å; I47-V618 HydrophobicContact CD1-CG2 4.32Å; I47-V618 HydrophobicContact CG1-CG1 3.93Å |
| 48 | D | 68.5 | Low | 66.6 | Low | 98 Ų | 98 | 38.5 Ų | 38.5 | 52% | 0.524 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -53.5 | -44 | 176.2 | -75 | -22.8 | 0 | 0 | 0 | 112.3 | A44 A52 | A44-D48 PolarHBondContact O-N 3.09Å; D48-A52 PolarHBondContact O-N 3.21Å |
| 49 | A | 65.3 | Low | 67.6 | Low | 22 Ų | 22 | 38 Ų | 38 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -97.9 | -19.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R45 I46 I47 H53 V129 | R45-A49 WeakPolarHBondContact O-CB 3.28Å; R45-A49 PolarHBondContact O-N 3.1Å; I46-A49 PolarHBondContact O-N 3.18Å; I47-A49 VanDerWaalsContact C-N 3.28Å; I47-A49 PolarHBondContact O-N 3.23Å; A49-H53 PolarHBondContact O-N 2.89Å; A49-V129 HydrophobicContact CB-CB 4.04Å; A49-V129 HydrophobicContact CB-CG1 3.51Å; A49-V129 HydrophobicContact CB-CG2 3.38Å |
| 50 | Y | 64.1 | Low | 68.5 | Low | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.3 | -54.5 | 160 | 178.1 | -91.6 | 0 | 0 | 0 | 110 | I46 A52 H53 D54 N110 A111 V112 I133 R572 L573 L576 M622 | I46-Y50 WeakPolarHBondContact O-CB 3.43Å; I46-Y50 PolarHBondContact O-N 2.94Å; Y50-A52 VanDerWaalsContact C-N 3.34Å; Y50-A52 PolarHBondContact O-N 2.88Å; Y50-H53 WeakPolarHBondContact O-CA 3.42Å; Y50-H53 WeakPolarHBondContact O-CB 3.41Å; Y50-H53 PolarHBondContact O-N 3.35Å; Y50-D54 VanDerWaalsContact CE1-OD2 3.28Å; Y50-D54 WeakPolarHBondContact CE1-OD2 3.44Å; Y50-D54 VanDerWaalsContact CZ-OD2 3.24Å; Y50-D54 PolarHBondContact O-N 3.11Å; Y50-D54 VanDerWaalsContact O-N 3.1Å; Y50-D54 PolarHBondContact OH-OD2 3.07Å; Y50-D54 VanDerWaalsContact OH-OD2 3.13Å; Y50-N110 WeakPolarHBondContact CE2-OD1 3.42Å; Y50-N110 PolarHBondContact OH-OD1 3.08Å; Y50-A111 HydrophobicContact CD2-CB 3.37Å; Y50-A111 HydrophobicContact CE2-CB 3.47Å; Y50-A111 VanDerWaalsContact CE2-CB 3.47Å; Y50-A111 HydrophobicContact CG-CB 4.08Å; Y50-V112 HydrophobicContact CE2-CG2 3.86Å; Y50-I133 HydrophobicContact CD2-CD1 4.06Å; Y50-I133 HydrophobicContact CG-CD1 4.47Å; Y50-R572 PolarHBondContact OH-NH1 2.63Å; Y50-R572 PolarHBondContact OH-NH2 2.91Å; Y50-L573 HydrophobicContact CE1-CD2 4.44Å; Y50-L576 HydrophobicContact CD1-CD1 3.75Å; Y50-L576 HydrophobicContact CE1-CD1 3.6Å; Y50-M622 HydrophobicContact CD1-CE 4.2Å; Y50-M622 HydrophobicContact CD2-CE 3.3Å; Y50-M622 HydrophobicContact CE2-CE 3.72Å; Y50-M622 HydrophobicContact CG-CE 3.59Å |
| 51 | V | 69.4 | Low | 69.1 | Low | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.9 | -48.3 | 179.2 | 162.7 | 0 | 0 | 0 | 0 | 111.2 | I47 H53 D54 E55 L573 L576 K577 | I47-V51 WeakPolarHBondContact O-CB 3.18Å; I47-V51 VanDerWaalsContact O-CG2 3.3Å; I47-V51 WeakPolarHBondContact O-CG2 2.93Å; I47-V51 PolarHBondContact O-N 3.41Å; V51-H53 PolarHBondContact O-N 2.9Å; V51-D54 PolarHBondContact O-N 3.37Å; V51-E55 WeakPolarHBondContact O-CG 3.31Å; V51-E55 PolarHBondContact O-N 3.4Å; V51-L573 HydrophobicContact CG2-CD2 4.32Å; V51-L576 HydrophobicContact CG2-CB 3.76Å; V51-L576 HydrophobicContact CG2-CD1 4.33Å; V51-K577 HydrophobicContact CG1-CD 4.13Å; V51-K577 HydrophobicContact CG1-CG 3.83Å; V51-K577 HydrophobicContact CG2-CG 4.3Å |
| 52 | A | 70.1 | Confident | 70.1 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 31% | 0.306 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.1 | -15.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D48 Y50 R56 | D48-A52 PolarHBondContact O-N 3.21Å; Y50-A52 VanDerWaalsContact C-N 3.34Å; Y50-A52 PolarHBondContact O-N 2.88Å; A52-R56 PolarHBondContact O-NH1 3.45Å; A52-R56 PolarHBondContact O-NH2 3.41Å; A52-R56 VanDerWaalsContact O-NH2 3.1Å |
| 53 | H | 66.8 | Low | 70.9 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -84.1 | -51.2 | 171.7 | -177.5 | 97.4 | 0 | 0 | 0 | 112.2 | A49 Y50 V51 E55 R56 R57 F109 A111 W122 | A49-H53 PolarHBondContact O-N 2.89Å; Y50-H53 WeakPolarHBondContact O-CA 3.42Å; Y50-H53 WeakPolarHBondContact O-CB 3.41Å; Y50-H53 PolarHBondContact O-N 3.35Å; V51-H53 PolarHBondContact O-N 2.9Å; H53-E55 PolarHBondContact O-N 3.09Å; H53-R56 WeakPolarHBondContact O-CA 3.46Å; H53-R56 WeakPolarHBondContact O-CB 3.44Å; H53-R56 PolarHBondContact O-N 3.43Å; H53-R57 PolarHBondContact O-N 2.84Å; H53-F109 AromaticContact CE1-CD1 3.86Å; H53-F109 AromaticContact CE1-CE1 3.35Å; H53-F109 WeakPolarHBondContact CE1-CE1 3.12Å; H53-F109 AromaticContact CE1-CZ 3.98Å; H53-F109 AromaticContact NE2-CD1 3.24Å; H53-F109 WeakPolarHBondContact NE2-CD1 3.21Å; H53-F109 AromaticContact NE2-CE1 3.23Å; H53-F109 WeakPolarHBondContact NE2-CE1 3.39Å; H53-A111 HydrophobicContact CB-CB 3.84Å; H53-W122 AromaticContact CE1-CH2 3.44Å; H53-W122 VanDerWaalsContact CE1-CH2 3.44Å; H53-W122 WeakPolarHBondContact CE1-CH2 3.25Å; H53-W122 AromaticContact CE1-CZ2 3.96Å; H53-W122 AromaticContact CE1-CZ3 3.83Å; H53-W122 AromaticContact ND1-CH2 3.16Å; H53-W122 WeakPolarHBondContact ND1-CH2 3.32Å; H53-W122 AromaticContact ND1-CZ3 3.34Å; H53-W122 VanDerWaalsContact ND1-CZ3 3.34Å; H53-W122 WeakPolarHBondContact ND1-CZ3 3.42Å |
| 54 | D | 68 | Low | 71.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.7 | -32.2 | -176.2 | -79.3 | 0.5 | 0 | 0 | 0 | 111.6 | Y50 V51 R56 R57 I58 A111 R572 L573 | Y50-D54 VanDerWaalsContact CE1-OD2 3.28Å; Y50-D54 WeakPolarHBondContact CE1-OD2 3.44Å; Y50-D54 VanDerWaalsContact CZ-OD2 3.24Å; Y50-D54 PolarHBondContact O-N 3.11Å; Y50-D54 VanDerWaalsContact O-N 3.1Å; Y50-D54 PolarHBondContact OH-OD2 3.07Å; Y50-D54 VanDerWaalsContact OH-OD2 3.13Å; V51-D54 PolarHBondContact O-N 3.37Å; D54-R56 PolarHBondContact O-N 3.35Å; D54-R57 WeakPolarHBondContact O-CB 3.37Å; D54-R57 PolarHBondContact O-N 2.86Å; D54-R57 VanDerWaalsContact O-N 3.14Å; D54-R57 IonicContact OD1-CZ 3.71Å; D54-R57 IonicContact OD1-NE 2.93Å; D54-R57 IonicContact OD1-NH2 3.72Å; D54-R57 IonicContact OD2-CZ 3.31Å; D54-R57 IonicContact OD2-NH2 3.84Å; D54-I58 WeakPolarHBondContact O-CG1 3.39Å; D54-I58 PolarHBondContact O-N 3.43Å; D54-A111 WeakPolarHBondContact OD1-CB 3.23Å; D54-A111 PolarHBondContact OD1-N 2.9Å; D54-R572 IonicContact OD2-CZ 3.2Å; D54-R572 IonicContact OD2-NH2 3.27Å; D54-R572 PolarHBondContact OD2-NH2 2.7Å; D54-L573 HydrophobicContact CB-CD1 4.03Å; D54-L573 HydrophobicContact CB-CD2 3.56Å; D54-L573 HydrophobicContact CB-CG 4.37Å |
| 55 | E | 76.3 | Confident | 71.9 | Confident | 87 Ų | 87 | 42.8 Ų | 42.8 | 41% | 0.407 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56 | -33.2 | 169.4 | -73.8 | 178 | 171.6 | 0 | 0 | 113.3 | V51 H53 L573 K577 | V51-E55 WeakPolarHBondContact O-CG 3.31Å; V51-E55 PolarHBondContact O-N 3.4Å; H53-E55 PolarHBondContact O-N 3.09Å; E55-L573 HydrophobicContact CG-CD1 4.2Å; E55-K577 WeakPolarHBondContact OE1-CE 3.4Å; E55-K577 IonicContact OE1-NZ 3.64Å; E55-K577 PolarHBondContact OE1-NZ 2.81Å |
| 56 | R | 75.6 | Confident | 72.4 | Confident | 111 Ų | 111 | 42.2 Ų | 42.2 | 42% | 0.419 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -80.7 | -39.2 | 173.8 | -66.9 | -175.1 | -69.6 | -89.7 | -6.1 | 112.4 | A52 H53 D54 I58 V59 E60 | A52-R56 PolarHBondContact O-NH1 3.45Å; A52-R56 PolarHBondContact O-NH2 3.41Å; A52-R56 VanDerWaalsContact O-NH2 3.1Å; H53-R56 WeakPolarHBondContact O-CA 3.46Å; H53-R56 WeakPolarHBondContact O-CB 3.44Å; H53-R56 PolarHBondContact O-N 3.43Å; D54-R56 PolarHBondContact O-N 3.35Å; R56-I58 VanDerWaalsContact C-N 3.29Å; R56-I58 PolarHBondContact O-N 2.62Å; R56-V59 PolarHBondContact O-N 3.5Å; R56-V59 VanDerWaalsContact O-N 3.1Å; R56-E60 PolarHBondContact O-N 3.02Å |
| 57 | R | 74.2 | Confident | 72.7 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54 | -46.6 | 175.8 | 176.3 | 178.4 | 79.3 | 154.2 | -1.7 | 111.5 | H53 D54 V59 E60 L61 F109 Y565 D569 D625 | H53-R57 PolarHBondContact O-N 2.84Å; D54-R57 WeakPolarHBondContact O-CB 3.37Å; D54-R57 PolarHBondContact O-N 2.86Å; D54-R57 VanDerWaalsContact O-N 3.14Å; D54-R57 IonicContact OD1-CZ 3.71Å; D54-R57 IonicContact OD1-NE 2.93Å; D54-R57 IonicContact OD1-NH2 3.72Å; D54-R57 IonicContact OD2-CZ 3.31Å; D54-R57 IonicContact OD2-NH2 3.84Å; R57-V59 VanDerWaalsContact C-N 3.27Å; R57-V59 PolarHBondContact O-N 3.49Å; R57-E60 PolarHBondContact O-N 2.88Å; R57-L61 HydrophobicContact CG-CD1 3.98Å; R57-L61 PolarHBondContact O-N 2.8Å; R57-L61 VanDerWaalsContact O-N 3.09Å; R57-F109 WeakPolarHBondContact CD-O 3.32Å; R57-F109 PolarHBondContact NE-O 3.34Å; R57-F109 VanDerWaalsContact NH1-C 3.3Å; R57-F109 PolarHBondContact NH1-O 3.41Å; R57-Y565 PolarHBondContact NH1-OH 3.18Å; R57-Y565 PolarHBondContact NH2-OH 3.37Å; R57-D569 IonicContact CZ-OD2 2.66Å; R57-D569 IonicContact NE-OD2 3.25Å; R57-D569 IonicContact NH2-OD1 3.93Å; R57-D569 PolarHBondContact NH2-OD1 2.83Å; R57-D569 VanDerWaalsContact NH2-OD1 3.11Å; R57-D569 IonicContact NH2-OD2 3.01Å; R57-D569 PolarHBondContact NH2-OD2 3.28Å; R57-D625 IonicContact CZ-OD2 2.91Å; R57-D625 IonicContact NH1-OD2 3.99Å; R57-D625 PolarHBondContact NH1-OD2 3.33Å; R57-D625 VanDerWaalsContact NH1-OD2 3.17Å; R57-D625 IonicContact NH2-OD2 2.68Å; R57-D625 PolarHBondContact NH2-OD2 3.37Å |
| 58 | I | 76.2 | Confident | 72.8 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.062 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -35.8 | 178 | -71.5 | 166.9 | 0 | 0 | 0 | 112 | D54 R56 K62 V566 D569 L573 | D54-I58 WeakPolarHBondContact O-CG1 3.39Å; D54-I58 PolarHBondContact O-N 3.43Å; R56-I58 VanDerWaalsContact C-N 3.29Å; R56-I58 PolarHBondContact O-N 2.62Å; I58-K62 HydrophobicContact CG2-CD 4.39Å; I58-K62 WeakPolarHBondContact O-CG 3.36Å; I58-K62 PolarHBondContact O-N 3.19Å; I58-V566 HydrophobicContact CG2-CG1 4.19Å; I58-D569 HydrophobicContact CD1-CB 4.32Å; I58-D569 WeakPolarHBondContact CD1-OD2 3.3Å; I58-L573 HydrophobicContact CD1-CD1 3.7Å |
| 59 | V | 81.3 | Confident | 72.7 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.3 | -43.4 | 179 | 173 | 0 | 0 | 0 | 0 | 111.8 | R56 R57 K62 K63 | R56-V59 PolarHBondContact O-N 3.5Å; R56-V59 VanDerWaalsContact O-N 3.1Å; R57-V59 VanDerWaalsContact C-N 3.27Å; R57-V59 PolarHBondContact O-N 3.49Å; V59-K62 PolarHBondContact O-N 3.41Å; V59-K63 PolarHBondContact O-N 3.36Å |
| 60 | E | 75.6 | Confident | 72.9 | Confident | 55 Ų | 55 | 47 Ų | 47 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.7 | -36.9 | 178.9 | -60.1 | -50.4 | 126.4 | 0 | 0 | 112.5 | R56 R57 K62 K63 L64 L106 M117 | R56-E60 PolarHBondContact O-N 3.02Å; R57-E60 PolarHBondContact O-N 2.88Å; E60-K62 VanDerWaalsContact C-N 3.32Å; E60-K62 PolarHBondContact O-N 3.44Å; E60-K63 PolarHBondContact O-N 2.87Å; E60-K63 IonicContact OE1-NZ 3.94Å; E60-K63 PolarHBondContact OE1-NZ 3.42Å; E60-K63 WeakPolarHBondContact OE2-CD 3.29Å; E60-K63 IonicContact OE2-NZ 3.33Å; E60-K63 PolarHBondContact OE2-NZ 3.03Å; E60-L64 PolarHBondContact O-N 3.3Å; E60-L106 HydrophobicContact CB-CD1 4.25Å; E60-L106 HydrophobicContact CB-CD2 4.38Å; E60-M117 HydrophobicContact CG-CE 4.01Å |
| 61 | L | 73.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -39.3 | 173.7 | -77.4 | 166.3 | 0 | 0 | 0 | 112.3 | R57 L64 S65 L106 M107 I562 Y565 V566 | R57-L61 HydrophobicContact CG-CD1 3.98Å; R57-L61 PolarHBondContact O-N 2.8Å; R57-L61 VanDerWaalsContact O-N 3.09Å; L61-L64 PolarHBondContact O-N 3.41Å; L61-S65 WeakPolarHBondContact O-CB 3.46Å; L61-S65 PolarHBondContact O-N 3.08Å; L61-L106 HydrophobicContact CD2-CB 3.6Å; L61-L106 HydrophobicContact CD2-CD1 4.22Å; L61-L106 HydrophobicContact CG-CB 4.02Å; L61-L106 HydrophobicContact CG-CD1 4.44Å; L61-M107 HydrophobicContact CD2-CG 4.33Å; L61-I562 HydrophobicContact CB-CG2 4.11Å; L61-I562 HydrophobicContact CD2-CG2 4.15Å; L61-I562 WeakPolarHBondContact O-CG2 3.49Å; L61-Y565 HydrophobicContact CD1-CD1 3.96Å; L61-Y565 HydrophobicContact CD1-CE1 3.72Å; L61-V566 HydrophobicContact CB-CG2 3.9Å; L61-V566 HydrophobicContact CD1-CG2 4.37Å |
| 62 | K | 80.8 | Confident | 71.9 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 47% | 0.465 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.9 | -74.6 | 173.8 | -177 | 179.3 | 0 | 112.2 | I58 V59 E60 Q66 V566 | I58-K62 HydrophobicContact CG2-CD 4.39Å; I58-K62 WeakPolarHBondContact O-CG 3.36Å; I58-K62 PolarHBondContact O-N 3.19Å; V59-K62 PolarHBondContact O-N 3.41Å; E60-K62 VanDerWaalsContact C-N 3.32Å; E60-K62 PolarHBondContact O-N 3.44Å; K62-Q66 WeakPolarHBondContact O-CG 3.45Å; K62-Q66 PolarHBondContact O-N 3.25Å; K62-V566 HydrophobicContact CD-CG1 4.25Å; K62-V566 HydrophobicContact CG-CG1 4.01Å |
| 63 | K | 80.6 | Confident | 71 | Confident | 108 Ų | 108 | 55.2 Ų | 55.2 | 47% | 0.47 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 174.6 | -65.5 | 171.5 | -176.4 | 169.8 | 0 | 111.7 | V59 E60 S65 Q66 L67 | V59-K63 PolarHBondContact O-N 3.36Å; E60-K63 PolarHBondContact O-N 2.87Å; E60-K63 IonicContact OE1-NZ 3.94Å; E60-K63 PolarHBondContact OE1-NZ 3.42Å; E60-K63 WeakPolarHBondContact OE2-CD 3.29Å; E60-K63 IonicContact OE2-NZ 3.33Å; E60-K63 PolarHBondContact OE2-NZ 3.03Å; K63-S65 VanDerWaalsContact C-N 3.32Å; K63-S65 PolarHBondContact O-N 3.49Å; K63-Q66 WeakPolarHBondContact O-CB 3.44Å; K63-Q66 PolarHBondContact O-N 3.3Å; K63-Q66 VanDerWaalsContact O-N 3.07Å; K63-L67 PolarHBondContact O-N 3.02Å |
| 64 | L | 74.1 | Confident | 70.5 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -39.7 | -178 | -172.7 | 63.9 | 0 | 0 | 0 | 111.6 | E60 L61 Q66 L67 Y68 Q102 A103 L106 | E60-L64 PolarHBondContact O-N 3.3Å; L61-L64 PolarHBondContact O-N 3.41Å; L64-Q66 VanDerWaalsContact C-N 3.29Å; L64-Q66 PolarHBondContact O-N 2.63Å; L64-L67 HydrophobicContact CD1-CD2 4.47Å; L64-L67 PolarHBondContact O-N 3.23Å; L64-Y68 HydrophobicContact CD1-CD2 4.46Å; L64-Y68 HydrophobicContact CD1-CE2 4.24Å; L64-Y68 HydrophobicContact CD2-CE2 4.23Å; L64-Y68 HydrophobicContact CG-CD2 4.06Å; L64-Y68 HydrophobicContact CG-CE2 3.87Å; L64-Y68 VanDerWaalsContact O-CD2 3.3Å; L64-Y68 WeakPolarHBondContact O-CD2 3.31Å; L64-Y68 PolarHBondContact O-N 3.24Å; L64-Q102 HydrophobicContact CD2-CB 4.43Å; L64-Q102 HydrophobicContact CD2-CG 4.16Å; L64-A103 HydrophobicContact CD2-CB 3.87Å; L64-L106 HydrophobicContact CD2-CD1 4.13Å |
| 65 | S | 73.5 | Confident | 69.7 | Low | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -34 | 173.2 | -169.5 | 0 | 0 | 0 | 0 | 113.3 | L61 K63 K69 E563 | L61-S65 WeakPolarHBondContact O-CB 3.46Å; L61-S65 PolarHBondContact O-N 3.08Å; K63-S65 VanDerWaalsContact C-N 3.32Å; K63-S65 PolarHBondContact O-N 3.49Å; S65-K69 WeakPolarHBondContact O-CG 3.43Å; S65-K69 PolarHBondContact O-N 3.45Å; S65-E563 WeakPolarHBondContact OG-CG 3.33Å |
| 66 | Q | 76.9 | Confident | 68.4 | Low | 137 Ų | 137 | 62.6 Ų | 62.6 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -71 | -42.1 | 174.6 | -73 | 176.2 | -22.3 | 0 | 0 | 111.3 | K62 K63 L64 K69 S70 | K62-Q66 WeakPolarHBondContact O-CG 3.45Å; K62-Q66 PolarHBondContact O-N 3.25Å; K63-Q66 WeakPolarHBondContact O-CB 3.44Å; K63-Q66 PolarHBondContact O-N 3.3Å; K63-Q66 VanDerWaalsContact O-N 3.07Å; L64-Q66 VanDerWaalsContact C-N 3.29Å; L64-Q66 PolarHBondContact O-N 2.63Å; Q66-K69 PolarHBondContact O-N 3.29Å; Q66-K69 VanDerWaalsContact O-N 3.11Å; Q66-S70 PolarHBondContact O-N 3.18Å; Q66-S70 PolarHBondContact O-OG 2.91Å |
| 67 | L | 71 | Confident | 67.2 | Low | 73 Ų | 73 | 65.9 Ų | 65.9 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.5 | -51.6 | 177.8 | -175 | 65.3 | 0 | 0 | 0 | 112 | K63 L64 K69 S70 E71 | K63-L67 PolarHBondContact O-N 3.02Å; L64-L67 HydrophobicContact CD1-CD2 4.47Å; L64-L67 PolarHBondContact O-N 3.23Å; L67-K69 PolarHBondContact O-N 3.5Å; L67-S70 WeakPolarHBondContact CA-OG 3.36Å; L67-S70 PolarHBondContact O-N 3.33Å; L67-S70 PolarHBondContact O-OG 3.43Å; L67-E71 HydrophobicContact CD1-CG 4.23Å; L67-E71 WeakPolarHBondContact CD1-OE1 3.28Å; L67-E71 HydrophobicContact CG-CG 4.37Å; L67-E71 WeakPolarHBondContact CG-OE1 3.33Å; L67-E71 PolarHBondContact O-N 2.69Å |
| 68 | Y | 66.5 | Low | 66 | Low | 11 Ų | 11 | 67.3 Ų | 67.3 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -54.3 | -34.7 | 174.2 | -84.5 | -61.4 | 0 | 0 | 0 | 113.1 | L64 K72 N99 A103 E555 V558 I562 | L64-Y68 HydrophobicContact CD1-CD2 4.46Å; L64-Y68 HydrophobicContact CD1-CE2 4.24Å; L64-Y68 HydrophobicContact CD2-CE2 4.23Å; L64-Y68 HydrophobicContact CG-CD2 4.06Å; L64-Y68 HydrophobicContact CG-CE2 3.87Å; L64-Y68 VanDerWaalsContact O-CD2 3.3Å; L64-Y68 WeakPolarHBondContact O-CD2 3.31Å; L64-Y68 PolarHBondContact O-N 3.24Å; Y68-K72 WeakPolarHBondContact O-CB 3.5Å; Y68-K72 PolarHBondContact O-N 2.6Å; Y68-N99 HydrophobicContact CE1-CB 3.93Å; Y68-N99 VanDerWaalsContact OH-C 3.23Å; Y68-N99 WeakPolarHBondContact OH-CB 3.5Å; Y68-N99 PolarHBondContact OH-O 2.69Å; Y68-A103 HydrophobicContact CE2-CB 4.34Å; Y68-E555 HydrophobicContact CD1-CG 3.81Å; Y68-E555 HydrophobicContact CE1-CG 3.85Å; Y68-E555 WeakPolarHBondContact CE1-OE1 3.39Å; Y68-V558 HydrophobicContact CE2-CG1 4.12Å; Y68-I562 HydrophobicContact CD2-CD1 3.8Å; Y68-I562 HydrophobicContact CE2-CD1 3.82Å |
| 69 | K | 67.2 | Low | 64.7 | Low | 78 Ų | 78 | 73.4 Ų | 73.4 | 34% | 0.339 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -75.9 | -29.2 | 178.5 | -75.7 | -178.9 | 177.4 | -174 | 0 | 112.9 | S65 Q66 L67 I73 A559 E563 | S65-K69 WeakPolarHBondContact O-CG 3.43Å; S65-K69 PolarHBondContact O-N 3.45Å; Q66-K69 PolarHBondContact O-N 3.29Å; Q66-K69 VanDerWaalsContact O-N 3.11Å; L67-K69 PolarHBondContact O-N 3.5Å; K69-I73 WeakPolarHBondContact O-CD1 3.32Å; K69-I73 WeakPolarHBondContact O-CG1 3.29Å; K69-A559 HydrophobicContact CG-CB 4.43Å; K69-E563 IonicContact NZ-OE1 3.95Å; K69-E563 PolarHBondContact NZ-OE1 2.99Å; K69-E563 IonicContact NZ-OE2 3Å; K69-E563 PolarHBondContact NZ-OE2 3.35Å |
| 70 | S | 68.7 | Low | 63 | Low | 58 Ų | 58 | 77.7 Ų | 77.7 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -76 | -50.1 | 172.5 | 33.7 | 0 | 0 | 0 | 0 | 113.1 | Q66 L67 K72 I73 | Q66-S70 PolarHBondContact O-N 3.18Å; Q66-S70 PolarHBondContact O-OG 2.91Å; L67-S70 WeakPolarHBondContact CA-OG 3.36Å; L67-S70 PolarHBondContact O-N 3.33Å; L67-S70 PolarHBondContact O-OG 3.43Å; S70-K72 VanDerWaalsContact C-N 3.27Å; S70-K72 PolarHBondContact O-N 3.42Å; S70-I73 WeakPolarHBondContact O-CB 3.18Å; S70-I73 PolarHBondContact O-N 2.91Å |
| 71 | E | 61.8 | Low | 61.7 | Low | 44 Ų | 44 | 79.3 Ų | 79.3 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.4 | -38.3 | -174.8 | -67.1 | 173.6 | 165.1 | 0 | 0 | 111.7 | L67 I73 E74 M75 N99 | L67-E71 HydrophobicContact CD1-CG 4.23Å; L67-E71 WeakPolarHBondContact CD1-OE1 3.28Å; L67-E71 HydrophobicContact CG-CG 4.37Å; L67-E71 WeakPolarHBondContact CG-OE1 3.33Å; L67-E71 PolarHBondContact O-N 2.69Å; E71-I73 PolarHBondContact O-N 3.32Å; E71-E74 PolarHBondContact O-N 3.43Å; E71-M75 PolarHBondContact O-N 3.38Å; E71-M75 VanDerWaalsContact O-N 3.07Å; E71-N99 PolarHBondContact OE2-ND2 3.29Å |
| 72 | K | 50.5 | Low | 60.6 | Low | 80 Ų | 80 | 80.9 Ų | 80.9 | 35% | 0.348 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -52.2 | -35.1 | 171.1 | 176.5 | -179.5 | 178.1 | 172 | 0 | 113.9 | Y68 S70 E74 A76 Q556 | Y68-K72 WeakPolarHBondContact O-CB 3.5Å; Y68-K72 PolarHBondContact O-N 2.6Å; S70-K72 VanDerWaalsContact C-N 3.27Å; S70-K72 PolarHBondContact O-N 3.42Å; K72-E74 VanDerWaalsContact C-N 3.25Å; K72-E74 PolarHBondContact O-N 2.93Å; K72-A76 WeakPolarHBondContact O-CB 3.32Å; K72-A76 PolarHBondContact O-N 3.4Å; K72-Q556 HydrophobicContact CD-CG 4.14Å; K72-Q556 VanDerWaalsContact NZ-CD 3.32Å |
| 73 | I | 52.2 | Low | 59.4 | Low | 93 Ų | 93 | 78.7 Ų | 78.7 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73 | -22.1 | -178 | -66.1 | 170.3 | 0 | 0 | 0 | 111.2 | K69 S70 E71 R77 | K69-I73 WeakPolarHBondContact O-CD1 3.32Å; K69-I73 WeakPolarHBondContact O-CG1 3.29Å; S70-I73 WeakPolarHBondContact O-CB 3.18Å; S70-I73 PolarHBondContact O-N 2.91Å; E71-I73 PolarHBondContact O-N 3.32Å; I73-R77 WeakPolarHBondContact O-CD 3.49Å; I73-R77 WeakPolarHBondContact O-CG 3.36Å; I73-R77 PolarHBondContact O-NE 2.93Å |
| 74 | E | 55.6 | Low | 58.4 | Low | 138 Ų | 138 | 74.7 Ų | 74.7 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -90.9 | -49.8 | 178.3 | -53 | -158.7 | 124.9 | 0 | 0 | 110.5 | E71 K72 A76 R77 | E71-E74 PolarHBondContact O-N 3.43Å; K72-E74 VanDerWaalsContact C-N 3.25Å; K72-E74 PolarHBondContact O-N 2.93Å; E74-A76 VanDerWaalsContact C-N 3.31Å; E74-A76 PolarHBondContact O-N 3.42Å; E74-R77 WeakPolarHBondContact O-CB 2.81Å; E74-R77 PolarHBondContact O-N 2.68Å |
| 75 | M | 50.7 | Low | 57.9 | Low | 40 Ų | 40 | 74.5 Ų | 74.5 | 20% | 0.197 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.9 | -39.9 | 174.5 | -73.4 | -173.4 | 69.1 | 0 | 0 | 113.1 | E71 R77 G78 L92 | E71-M75 PolarHBondContact O-N 3.38Å; E71-M75 VanDerWaalsContact O-N 3.07Å; M75-R77 PolarHBondContact O-N 3.06Å; M75-R77 VanDerWaalsContact O-N 3.07Å; M75-G78 PolarHBondContact O-N 3.35Å; M75-G78 VanDerWaalsContact O-N 3.12Å; M75-L92 HydrophobicContact CE-CD1 3.61Å; M75-L92 HydrophobicContact SD-CD1 4.4Å |
| 76 | A | 49.4 | Very low | 57.4 | Low | 79 Ų | 79 | 74.8 Ų | 74.8 | 65% | 0.653 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -1.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K72 E74 | K72-A76 WeakPolarHBondContact O-CB 3.32Å; K72-A76 PolarHBondContact O-N 3.4Å; E74-A76 VanDerWaalsContact C-N 3.31Å; E74-A76 PolarHBondContact O-N 3.42Å |
| 77 | R | 51.5 | Low | 57 | Low | 180 Ų | 180 | 68.3 Ų | 68.3 | 68% | 0.679 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -12.6 | 172.2 | -67.3 | 167.4 | 176.8 | 158.6 | -0.4 | 113.1 | I73 E74 M75 | I73-R77 WeakPolarHBondContact O-CD 3.49Å; I73-R77 WeakPolarHBondContact O-CG 3.36Å; I73-R77 PolarHBondContact O-NE 2.93Å; E74-R77 WeakPolarHBondContact O-CB 2.81Å; E74-R77 PolarHBondContact O-N 2.68Å; M75-R77 PolarHBondContact O-N 3.06Å; M75-R77 VanDerWaalsContact O-N 3.07Å |
| 78 | G | 47.9 | Very low | 56.8 | Low | 35 Ų | 35 | 66.1 Ų | 66.1 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -101.4 | 97.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M75 E80 | M75-G78 PolarHBondContact O-N 3.35Å; M75-G78 VanDerWaalsContact O-N 3.12Å; G78-E80 PolarHBondContact O-N 3.23Å |
| 79 | N | 50 | Low | 56.6 | Low | 140 Ų | 140 | 66.4 Ų | 66.4 | 75% | 0.749 | 35% | 0.347 | S | S | * | . | trans | -60.2 | 128.6 | 171.9 | -73.5 | -28.8 | 0 | 0 | 0 | 111.5 | N81 | N79-N81 PolarHBondContact O-N 3.5Š| ||
| 80 | E | 45.9 | Very low | 56.7 | Low | 165 Ų | 165 | 62.8 Ų | 62.8 | 77% | 0.771 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 51.3 | -44.3 | 163.9 | -60.9 | -172.6 | 143.1 | 0 | 0 | 118.6 | G78 I82 I83 | G78-E80 PolarHBondContact O-N 3.23Å; E80-I82 PolarHBondContact O-N 3.46Å; E80-I82 VanDerWaalsContact O-N 3.14Å; E80-I83 PolarHBondContact O-N 3.32Å; E80-I83 VanDerWaalsContact O-N 3.14Å |
| 81 | N | 48.1 | Very low | 56.8 | Low | 90 Ų | 90 | 60.3 Ų | 60.3 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -61.9 | -20.6 | -173.6 | -60.3 | -17.8 | 0 | 0 | 0 | 114.8 | N79 I83 T84 N85 | N79-N81 PolarHBondContact O-N 3.5Å; N81-I83 PolarHBondContact O-N 2.98Å; N81-T84 WeakPolarHBondContact CA-OG1 3.49Å; N81-T84 PolarHBondContact O-N 2.65Å; N81-T84 PolarHBondContact O-OG1 3.09Å; N81-N85 PolarHBondContact O-N 3.2Å; N81-N85 VanDerWaalsContact O-N 3.13Å |
| 82 | I | 50.5 | Low | 57 | Low | 32 Ų | 32 | 58.8 Ų | 58.8 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -60.5 | -32.4 | 175.5 | -59 | 177.6 | 0 | 0 | 0 | 110.6 | E80 T84 D88 | E80-I82 PolarHBondContact O-N 3.46Å; E80-I82 VanDerWaalsContact O-N 3.14Å; I82-T84 VanDerWaalsContact C-N 3.3Å; I82-D88 WeakPolarHBondContact CA-OD2 3.45Å; I82-D88 HydrophobicContact CG2-CB 3.98Å; I82-D88 VanDerWaalsContact O-CB 3.23Å; I82-D88 WeakPolarHBondContact O-CB 3.39Å |
| 83 | I | 56 | Low | 57.6 | Low | 62 Ų | 62 | 55.3 Ų | 55.3 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -78.4 | -18.1 | 177.1 | -49 | 172.2 | 0 | 0 | 0 | 111.1 | E80 N81 S89 I552 | E80-I83 PolarHBondContact O-N 3.32Å; E80-I83 VanDerWaalsContact O-N 3.14Å; N81-I83 PolarHBondContact O-N 2.98Å; I83-S89 PolarHBondContact O-OG 3.04Å; I83-I552 HydrophobicContact CD1-CD1 3.91Å; I83-I552 HydrophobicContact CG1-CD1 3.63Å |
| 84 | T | 58.3 | Low | 58.4 | Low | 24 Ų | 24 | 52.3 Ų | 52.3 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -16.3 | -175.8 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | N81 I82 L959 E1037 A1083 G1084 | N81-T84 WeakPolarHBondContact CA-OG1 3.49Å; N81-T84 PolarHBondContact O-N 2.65Å; N81-T84 PolarHBondContact O-OG1 3.09Å; I82-T84 VanDerWaalsContact C-N 3.3Å; T84-L959 WeakPolarHBondContact O-CD2 3.46Å; T84-E1037 WeakPolarHBondContact CB-OE2 3.5Å; T84-A1083 CarbonylContact O-C 3.59Å; T84-A1083 WeakPolarHBondContact O-CA 3.31Å; T84-A1083 VanDerWaalsContact O-CB 3.25Å; T84-A1083 WeakPolarHBondContact O-CB 3.33Å; T84-G1084 PolarHBondContact O-N 2.79Å |
| 85 | N | 64.1 | Low | 59 | Low | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | trans | -85.2 | 130.2 | 171 | -174.4 | -35.8 | 0 | 0 | 0 | 111 | N81 L87 D88 S89 I680 V683 | N81-N85 PolarHBondContact O-N 3.2Å; N81-N85 VanDerWaalsContact O-N 3.13Å; N85-L87 VanDerWaalsContact C-N 3.34Å; N85-L87 PolarHBondContact O-N 3.27Å; N85-L87 WeakPolarHBondContact OD1-CB 3.48Å; N85-L87 PolarHBondContact OD1-N 2.93Å; N85-D88 HydrophobicContact CB-CB 4.05Å; N85-S89 VanDerWaalsContact O-CB 3.3Å; N85-S89 WeakPolarHBondContact O-CB 3.22Å; N85-S89 PolarHBondContact O-N 2.89Å; N85-S89 PolarHBondContact O-OG 3Å; N85-I680 HydrophobicContact CB-CG2 4.03Å; N85-I680 VanDerWaalsContact ND2-CG2 3.28Å; N85-I680 WeakPolarHBondContact ND2-CG2 3.27Å; N85-V683 HydrophobicContact CB-CG1 4.31Å; N85-V683 WeakPolarHBondContact ND2-CG1 3.4Å | ||
| 86 | P | 62.6 | Low | 59.6 | Low | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.052 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.9 | -26 | 179.5 | 30.2 | -37.7 | 0 | 0 | 0 | 114.4 | Y90 L658 L661 I677 L959 L1082 | P86-Y90 WeakPolarHBondContact O-CB 3.27Å; P86-Y90 PolarHBondContact O-N 3.04Å; P86-Y90 VanDerWaalsContact O-N 3.1Å; P86-L658 HydrophobicContact CB-CD2 3.9Å; P86-L658 HydrophobicContact CG-CD2 4.4Å; P86-L661 HydrophobicContact CB-CD1 3.7Å; P86-L661 HydrophobicContact CG-CD1 4.02Å; P86-I677 HydrophobicContact CG-CD1 3.6Å; P86-L959 HydrophobicContact CB-CD2 4.17Å; P86-L1082 VanDerWaalsContact CD-O 3.23Å; P86-L1082 WeakPolarHBondContact CD-O 3.45Å; P86-L1082 VanDerWaalsContact CG-O 3.31Å; P86-L1082 WeakPolarHBondContact CG-O 3.36Å |
| 87 | L | 69.5 | Low | 60.3 | Low | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -75.6 | -50 | 176.8 | -61.8 | 168.9 | 0 | 0 | 0 | 109.8 | N85 S89 Y90 V91 L658 L672 I677 V683 F686 | N85-L87 VanDerWaalsContact C-N 3.34Å; N85-L87 PolarHBondContact O-N 3.27Å; N85-L87 WeakPolarHBondContact OD1-CB 3.48Å; N85-L87 PolarHBondContact OD1-N 2.93Å; L87-S89 VanDerWaalsContact C-N 3.28Å; L87-S89 PolarHBondContact O-N 2.94Å; L87-Y90 PolarHBondContact O-N 3Å; L87-V91 WeakPolarHBondContact O-CB 3.32Å; L87-V91 WeakPolarHBondContact O-CG2 3.35Å; L87-V91 PolarHBondContact O-N 2.94Å; L87-L658 HydrophobicContact CD2-CD1 4.32Å; L87-L658 HydrophobicContact CD2-CD2 3.77Å; L87-L658 HydrophobicContact CG-CD2 4.42Å; L87-L672 HydrophobicContact CD1-CD2 4.28Å; L87-L672 WeakPolarHBondContact CD1-O 3.25Å; L87-L672 HydrophobicContact CD2-CD2 4.08Å; L87-I677 HydrophobicContact CD1-CD1 3.75Å; L87-I677 HydrophobicContact CD1-CG1 3.88Å; L87-I677 HydrophobicContact CG-CD1 3.95Å; L87-V683 HydrophobicContact CB-CG2 3.86Å; L87-V683 HydrophobicContact CD1-CG2 4.22Å; L87-F686 HydrophobicContact CB-CE1 3.9Å; L87-F686 HydrophobicContact CB-CZ 4.09Å; L87-F686 HydrophobicContact CD2-CE1 3.87Å; L87-F686 HydrophobicContact CD2-CE2 4.02Å; L87-F686 HydrophobicContact CD2-CZ 3.37Å; L87-F686 HydrophobicContact CG-CE1 4.44Å; L87-F686 HydrophobicContact CG-CZ 4.32Å |
| 88 | D | 66.4 | Low | 61 | Low | 27 Ų | 27 | 37.9 Ų | 37.9 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.6 | -46.4 | 170 | -82.8 | -22.1 | 0 | 0 | 0 | 111.3 | I82 N85 Y90 V91 L92 V683 | I82-D88 WeakPolarHBondContact CA-OD2 3.45Å; I82-D88 HydrophobicContact CG2-CB 3.98Å; I82-D88 VanDerWaalsContact O-CB 3.23Å; I82-D88 WeakPolarHBondContact O-CB 3.39Å; N85-D88 HydrophobicContact CB-CB 4.05Å; D88-Y90 VanDerWaalsContact C-N 3.33Å; D88-Y90 PolarHBondContact O-N 3.42Å; D88-V91 PolarHBondContact O-N 3.16Å; D88-L92 WeakPolarHBondContact O-CB 3.49Å; D88-L92 PolarHBondContact O-N 3.22Å; D88-V683 VanDerWaalsContact CG-CG1 3.43Å; D88-V683 WeakPolarHBondContact OD1-CB 3.4Å; D88-V683 VanDerWaalsContact OD1-CG1 3.32Å; D88-V683 WeakPolarHBondContact OD1-CG1 2.94Å; D88-V683 WeakPolarHBondContact OD2-CG1 3.48Å |
| 89 | S | 62.7 | Low | 61.9 | Low | 17 Ų | 17 | 37.1 Ų | 37.1 | 12% | 0.119 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | -178.7 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | I83 N85 L87 V93 L959 | I83-S89 PolarHBondContact O-OG 3.04Å; N85-S89 VanDerWaalsContact O-CB 3.3Å; N85-S89 WeakPolarHBondContact O-CB 3.22Å; N85-S89 PolarHBondContact O-N 2.89Å; N85-S89 PolarHBondContact O-OG 3Å; L87-S89 VanDerWaalsContact C-N 3.28Å; L87-S89 PolarHBondContact O-N 2.94Å; S89-V93 WeakPolarHBondContact O-CB 3.12Å; S89-V93 VanDerWaalsContact O-CG2 3.24Å; S89-V93 WeakPolarHBondContact O-CG2 3.04Å; S89-V93 PolarHBondContact O-N 3.21Å; S89-L959 VanDerWaalsContact OG-CD1 3.25Å; S89-L959 WeakPolarHBondContact OG-CD1 3.4Å |
| 90 | Y | 68.7 | Low | 62.5 | Low | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.7 | -48.6 | 173.9 | 171.5 | -104.9 | 0 | 0 | 0 | 111.7 | P86 L87 D88 L92 V93 K94 L651 A654 A655 L658 F686 E690 E693 L694 | P86-Y90 WeakPolarHBondContact O-CB 3.27Å; P86-Y90 PolarHBondContact O-N 3.04Å; P86-Y90 VanDerWaalsContact O-N 3.1Å; L87-Y90 PolarHBondContact O-N 3Å; D88-Y90 VanDerWaalsContact C-N 3.33Å; D88-Y90 PolarHBondContact O-N 3.42Å; Y90-L92 VanDerWaalsContact C-N 3.31Å; Y90-L92 PolarHBondContact O-N 3.11Å; Y90-V93 PolarHBondContact O-N 2.88Å; Y90-K94 WeakPolarHBondContact O-CB 3.28Å; Y90-K94 PolarHBondContact O-N 3.48Å; Y90-L651 HydrophobicContact CD2-CD1 4.2Å; Y90-L651 HydrophobicContact CE2-CD1 3.62Å; Y90-A654 HydrophobicContact CD2-CB 4.03Å; Y90-A655 HydrophobicContact CE2-CB 3.99Å; Y90-L658 VanDerWaalsContact CB-CD1 3.44Å; Y90-L658 HydrophobicContact CD1-CD1 3.79Å; Y90-L658 HydrophobicContact CD2-CD1 4.04Å; Y90-L658 HydrophobicContact CG-CD1 3.47Å; Y90-L658 VanDerWaalsContact CG-CD1 3.47Å; Y90-F686 AromaticContact CD1-CE2 4Å; Y90-F686 HydrophobicContact CD1-CE2 4Å; Y90-F686 AromaticContact CD1-CZ 3.71Å; Y90-F686 HydrophobicContact CD1-CZ 3.71Å; Y90-F686 HydrophobicContact CE1-CE2 4.14Å; Y90-F686 HydrophobicContact CE1-CZ 4.28Å; Y90-E690 HydrophobicContact CE1-CB 4.47Å; Y90-E690 HydrophobicContact CE1-CG 4.43Å; Y90-E693 WeakPolarHBondContact OH-CB 3.18Å; Y90-L694 HydrophobicContact CD2-CD2 4.39Å; Y90-L694 HydrophobicContact CE1-CD2 4.11Å; Y90-L694 HydrophobicContact CE1-CG 4.19Å; Y90-L694 HydrophobicContact CE2-CD2 3.81Å |
| 91 | V | 71 | Confident | 63.4 | Low | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 178.1 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | L87 D88 K94 R95 F686 | L87-V91 WeakPolarHBondContact O-CB 3.32Å; L87-V91 WeakPolarHBondContact O-CG2 3.35Å; L87-V91 PolarHBondContact O-N 2.94Å; D88-V91 PolarHBondContact O-N 3.16Å; V91-K94 PolarHBondContact O-N 3.22Å; V91-R95 HydrophobicContact CG1-CG 4.15Å; V91-R95 VanDerWaalsContact O-CB 3.27Å; V91-R95 WeakPolarHBondContact O-CB 3.34Å; V91-R95 VanDerWaalsContact O-CG 3.26Å; V91-R95 WeakPolarHBondContact O-CG 3.41Å; V91-R95 PolarHBondContact O-N 2.94Å; V91-F686 HydrophobicContact CG2-CD1 3.86Å; V91-F686 HydrophobicContact CG2-CE1 3.34Å; V91-F686 HydrophobicContact CG2-CZ 4.03Å |
| 92 | L | 64.7 | Low | 64.3 | Low | 13 Ų | 13 | 27.1 Ų | 27.1 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65 | -47.3 | 174.9 | 178.4 | 61 | 0 | 0 | 0 | 112.1 | M75 D88 Y90 K94 L96 I552 | M75-L92 HydrophobicContact CE-CD1 3.61Å; M75-L92 HydrophobicContact SD-CD1 4.4Å; D88-L92 WeakPolarHBondContact O-CB 3.49Å; D88-L92 PolarHBondContact O-N 3.22Å; Y90-L92 VanDerWaalsContact C-N 3.31Å; Y90-L92 PolarHBondContact O-N 3.11Å; L92-K94 VanDerWaalsContact C-N 3.27Å; L92-K94 PolarHBondContact O-N 3.34Å; L92-L96 HydrophobicContact CD1-CD1 3.66Å; L92-L96 HydrophobicContact CD1-CG 3.89Å; L92-L96 HydrophobicContact CG-CD1 3.94Å; L92-L96 HydrophobicContact CG-CG 4.49Å; L92-L96 VanDerWaalsContact O-CB 3.26Å; L92-L96 WeakPolarHBondContact O-CB 3.3Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.47Å; L92-L96 PolarHBondContact O-N 3.09Å; L92-I552 HydrophobicContact CD2-CD1 3.94Å; L92-I552 HydrophobicContact CD2-CG1 3.73Å |
| 93 | V | 63.5 | Low | 65 | Low | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.6 | -38 | 175.9 | 164.2 | 0 | 0 | 0 | 0 | 110.9 | S89 Y90 A97 V548 P646 L651 | S89-V93 WeakPolarHBondContact O-CB 3.12Å; S89-V93 VanDerWaalsContact O-CG2 3.24Å; S89-V93 WeakPolarHBondContact O-CG2 3.04Å; S89-V93 PolarHBondContact O-N 3.21Å; Y90-V93 PolarHBondContact O-N 2.88Å; V93-A97 VanDerWaalsContact O-CB 3.26Å; V93-A97 WeakPolarHBondContact O-CB 3.42Å; V93-A97 PolarHBondContact O-N 3.27Å; V93-V548 HydrophobicContact CG2-CG1 4.3Å; V93-V548 HydrophobicContact CG2-CG2 4.49Å; V93-P646 HydrophobicContact CG1-CB 3.96Å; V93-P646 HydrophobicContact CG1-CG 4.34Å; V93-L651 HydrophobicContact CG1-CB 4.27Å; V93-L651 HydrophobicContact CG1-CD1 4.31Å |
| 94 | K | 69.5 | Low | 65.3 | Low | 30 Ų | 30 | 24.5 Ų | 24.5 | 13% | 0.13 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.7 | -53.8 | 175.8 | -171.3 | -172.8 | 173.8 | -63.4 | 0 | 112.2 | Y90 V91 L92 L96 A97 D98 L651 E690 | Y90-K94 WeakPolarHBondContact O-CB 3.28Å; Y90-K94 PolarHBondContact O-N 3.48Å; V91-K94 PolarHBondContact O-N 3.22Å; L92-K94 VanDerWaalsContact C-N 3.27Å; L92-K94 PolarHBondContact O-N 3.34Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-L96 PolarHBondContact O-N 3.49Å; K94-A97 CarbonylContact O-C 3.59Å; K94-A97 PolarHBondContact O-N 3.26Å; K94-A97 VanDerWaalsContact O-N 3.07Å; K94-D98 WeakPolarHBondContact CE-OD2 3.38Å; K94-D98 WeakPolarHBondContact CG-OD2 3.42Å; K94-D98 IonicContact NZ-OD2 3.77Å; K94-D98 PolarHBondContact NZ-OD2 3.31Å; K94-D98 WeakPolarHBondContact O-CB 3.3Å; K94-D98 PolarHBondContact O-N 3.49Å; K94-L651 HydrophobicContact CB-CD1 3.77Å; K94-L651 HydrophobicContact CG-CD1 4.13Å; K94-E690 HydrophobicContact CD-CG 3.45Å; K94-E690 VanDerWaalsContact CD-CG 3.45Å |
| 95 | R | 67.7 | Low | 65.7 | Low | 70 Ų | 70 | 29 Ų | 29 | 26% | 0.264 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -54.8 | -47.3 | 176.5 | -74.7 | 179.1 | -172.2 | 167.7 | 7.2 | 110.6 | V91 A97 D98 N99 D684 | V91-R95 HydrophobicContact CG1-CG 4.15Å; V91-R95 VanDerWaalsContact O-CB 3.27Å; V91-R95 WeakPolarHBondContact O-CB 3.34Å; V91-R95 VanDerWaalsContact O-CG 3.26Å; V91-R95 WeakPolarHBondContact O-CG 3.41Å; V91-R95 PolarHBondContact O-N 2.94Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 3.46Å; R95-D98 PolarHBondContact O-N 3.38Å; R95-N99 WeakPolarHBondContact O-CA 3.44Å; R95-N99 WeakPolarHBondContact O-CB 3.37Å; R95-N99 PolarHBondContact O-N 3.32Å; R95-D684 IonicContact CZ-OD2 3.58Å; R95-D684 VanDerWaalsContact CZ-OD2 3.27Å; R95-D684 IonicContact NH1-OD2 2.62Å; R95-D684 PolarHBondContact NH1-OD2 2.8Å; R95-D684 IonicContact NH2-OD2 3.84Å; R95-D684 PolarHBondContact NH2-OD2 3.09Å |
| 96 | L | 64.5 | Low | 65.9 | Low | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.4 | -29.9 | 177.1 | -70.5 | 174.4 | 0 | 0 | 0 | 113.7 | L92 K94 W100 L551 E555 P646 | L92-L96 HydrophobicContact CD1-CD1 3.66Å; L92-L96 HydrophobicContact CD1-CG 3.89Å; L92-L96 HydrophobicContact CG-CD1 3.94Å; L92-L96 HydrophobicContact CG-CG 4.49Å; L92-L96 VanDerWaalsContact O-CB 3.26Å; L92-L96 WeakPolarHBondContact O-CB 3.3Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.47Å; L92-L96 PolarHBondContact O-N 3.09Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-L96 PolarHBondContact O-N 3.49Å; L96-W100 WeakPolarHBondContact O-CB 3.45Å; L96-L551 HydrophobicContact CD1-CB 3.72Å; L96-L551 HydrophobicContact CD1-CD1 3.99Å; L96-L551 HydrophobicContact CD1-CD2 4.48Å; L96-L551 HydrophobicContact CD1-CG 4.29Å; L96-E555 HydrophobicContact CD2-CB 4.09Å; L96-E555 HydrophobicContact CD2-CG 4.3Å; L96-P646 HydrophobicContact CB-CG 4.26Å |
| 97 | A | 63.1 | Low | 66 | Low | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.6 | -49 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V93 K94 R95 R101 P646 | V93-A97 VanDerWaalsContact O-CB 3.26Å; V93-A97 WeakPolarHBondContact O-CB 3.42Å; V93-A97 PolarHBondContact O-N 3.27Å; K94-A97 CarbonylContact O-C 3.59Å; K94-A97 PolarHBondContact O-N 3.26Å; K94-A97 VanDerWaalsContact O-N 3.07Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 3.46Å; A97-R101 WeakPolarHBondContact O-CB 3.36Å; A97-R101 WeakPolarHBondContact O-CD 3.14Å; A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 3.12Å; A97-R101 PolarHBondContact O-NE 2.95Å; A97-P646 HydrophobicContact CB-CG 4.39Å |
| 98 | D | 66.1 | Low | 65.6 | Low | 54 Ų | 54 | 34.6 Ų | 34.6 | 29% | 0.289 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -75.3 | -47.7 | -173.9 | -72.7 | -21 | 0 | 0 | 0 | 112.9 | K94 R95 W100 R101 Q102 | K94-D98 WeakPolarHBondContact CE-OD2 3.38Å; K94-D98 WeakPolarHBondContact CG-OD2 3.42Å; K94-D98 IonicContact NZ-OD2 3.77Å; K94-D98 PolarHBondContact NZ-OD2 3.31Å; K94-D98 WeakPolarHBondContact O-CB 3.3Å; K94-D98 PolarHBondContact O-N 3.49Å; R95-D98 PolarHBondContact O-N 3.38Å; D98-W100 VanDerWaalsContact C-N 3.32Å; D98-W100 PolarHBondContact O-N 3.18Å; D98-R101 CarbonylContact O-C 3.59Å; D98-R101 WeakPolarHBondContact O-CB 3.25Å; D98-R101 PolarHBondContact O-N 3.49Å; D98-R101 VanDerWaalsContact O-N 3.14Å; D98-Q102 WeakPolarHBondContact O-CB 3.49Å; D98-Q102 PolarHBondContact O-N 2.81Å |
| 99 | N | 65.9 | Low | 65.2 | Low | 19 Ų | 19 | 33.7 Ų | 33.7 | 10% | 0.102 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 177.1 | -64 | -0.3 | 0 | 0 | 0 | 109.9 | Y68 E71 R95 Q102 A103 | Y68-N99 HydrophobicContact CE1-CB 3.93Å; Y68-N99 VanDerWaalsContact OH-C 3.23Å; Y68-N99 WeakPolarHBondContact OH-CB 3.5Å; Y68-N99 PolarHBondContact OH-O 2.69Å; E71-N99 PolarHBondContact OE2-ND2 3.29Å; R95-N99 WeakPolarHBondContact O-CA 3.44Å; R95-N99 WeakPolarHBondContact O-CB 3.37Å; R95-N99 PolarHBondContact O-N 3.32Å; N99-Q102 PolarHBondContact O-N 3.29Å; N99-A103 WeakPolarHBondContact O-CB 3.2Å; N99-A103 PolarHBondContact O-N 3.43Å |
| 100 | W | 63.2 | Low | 64.7 | Low | 11 Ų | 11 | 33.7 Ų | 33.7 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 171.6 | 173.5 | -96.7 | 0 | 0 | 0 | 111.8 | L96 D98 Q102 A103 E104 V558 I634 R638 F645 | L96-W100 WeakPolarHBondContact O-CB 3.45Å; D98-W100 VanDerWaalsContact C-N 3.32Å; D98-W100 PolarHBondContact O-N 3.18Å; W100-Q102 PolarHBondContact O-N 3.48Å; W100-A103 PolarHBondContact O-N 3.48Å; W100-E104 HydrophobicContact CD2-CB 4.29Å; W100-E104 HydrophobicContact CH2-CB 4.2Å; W100-E104 HydrophobicContact CZ2-CB 3.58Å; W100-E104 VanDerWaalsContact CZ2-CD 3.43Å; W100-E104 HydrophobicContact CZ2-CG 3.87Å; W100-E104 PolarHBondContact NE1-OE2 3.21Å; W100-E104 VanDerWaalsContact O-CB 3.29Å; W100-E104 WeakPolarHBondContact O-CB 3.37Å; W100-E104 PolarHBondContact O-N 3.08Å; W100-V558 HydrophobicContact CE3-CG2 4.45Å; W100-V558 HydrophobicContact CZ3-CG1 4.39Å; W100-V558 HydrophobicContact CZ3-CG2 4.47Å; W100-I634 HydrophobicContact CH2-CB 4.21Å; W100-I634 HydrophobicContact CH2-CD1 4.26Å; W100-I634 HydrophobicContact CH2-CG2 3.41Å; W100-I634 VanDerWaalsContact CH2-CG2 3.41Å; W100-I634 HydrophobicContact CZ2-CG2 4.47Å; W100-I634 HydrophobicContact CZ3-CD1 4.26Å; W100-I634 HydrophobicContact CZ3-CG2 3.54Å; W100-R638 VanDerWaalsContact CE2-NH1 3.29Å; W100-R638 VanDerWaalsContact CZ2-NH1 3.31Å; W100-R638 VanDerWaalsContact NE1-CZ 3.25Å; W100-R638 VanDerWaalsContact NE1-NH1 3.15Å; W100-F645 HydrophobicContact CB-CD1 4.24Å; W100-F645 HydrophobicContact CB-CE1 4.3Å; W100-F645 HydrophobicContact CD2-CD1 4.45Å; W100-F645 HydrophobicContact CD2-CE1 4.28Å; W100-F645 HydrophobicContact CE3-CE1 4.17Å; W100-F645 HydrophobicContact CG-CD1 4.17Å; W100-F645 HydrophobicContact CG-CE1 4.31Å |
| 101 | R | 64.6 | Low | 63.7 | Low | 80 Ų | 80 | 33.6 Ų | 33.6 | 30% | 0.302 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -55.5 | -41.3 | 175.7 | -76.9 | 155.2 | -160.8 | -142.9 | -17.6 | 110.7 | A97 D98 R105 D648 | A97-R101 WeakPolarHBondContact O-CB 3.36Å; A97-R101 WeakPolarHBondContact O-CD 3.14Å; A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 3.12Å; A97-R101 PolarHBondContact O-NE 2.95Å; D98-R101 CarbonylContact O-C 3.59Å; D98-R101 WeakPolarHBondContact O-CB 3.25Å; D98-R101 PolarHBondContact O-N 3.49Å; D98-R101 VanDerWaalsContact O-N 3.14Å; R101-R105 WeakPolarHBondContact O-CA 3.46Å; R101-R105 WeakPolarHBondContact O-CB 3.26Å; R101-R105 PolarHBondContact O-N 3.33Å; R101-D648 IonicContact CZ-OD1 3.73Å; R101-D648 VanDerWaalsContact CZ-OD1 3.25Å; R101-D648 IonicContact CZ-OD2 2.77Å; R101-D648 IonicContact NH1-OD1 2.89Å; R101-D648 PolarHBondContact NH1-OD1 3.38Å; R101-D648 IonicContact NH1-OD2 2.73Å; R101-D648 IonicContact NH2-OD1 3.6Å; R101-D648 PolarHBondContact NH2-OD1 3.48Å; R101-D648 IonicContact NH2-OD2 3.77Å; R101-D648 PolarHBondContact NH2-OD2 2.6Å |
| 102 | Q | 67.3 | Low | 62.7 | Low | 93 Ų | 93 | 34 Ų | 34 | 44% | 0.435 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -69.5 | -44.8 | 179.2 | -168.6 | 172.3 | -3.1 | 0 | 0 | 112.2 | L64 D98 N99 W100 L106 | L64-Q102 HydrophobicContact CD2-CB 4.43Å; L64-Q102 HydrophobicContact CD2-CG 4.16Å; D98-Q102 WeakPolarHBondContact O-CB 3.49Å; D98-Q102 PolarHBondContact O-N 2.81Å; N99-Q102 PolarHBondContact O-N 3.29Å; W100-Q102 PolarHBondContact O-N 3.48Å; Q102-L106 HydrophobicContact CG-CD1 4.17Å; Q102-L106 WeakPolarHBondContact O-CB 3.19Å; Q102-L106 VanDerWaalsContact O-CG 3.27Å; Q102-L106 WeakPolarHBondContact O-CG 3.48Å; Q102-L106 PolarHBondContact O-N 3.4Å |
| 103 | A | 65.2 | Low | 61.7 | Low | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.5 | -50 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L64 Y68 N99 W100 R105 L106 M107 V558 | L64-A103 HydrophobicContact CD2-CB 3.87Å; Y68-A103 HydrophobicContact CE2-CB 4.34Å; N99-A103 WeakPolarHBondContact O-CB 3.2Å; N99-A103 PolarHBondContact O-N 3.43Å; W100-A103 PolarHBondContact O-N 3.48Å; A103-R105 PolarHBondContact O-N 3.44Å; A103-L106 PolarHBondContact O-N 2.73Å; A103-M107 WeakPolarHBondContact O-CB 3.33Å; A103-M107 PolarHBondContact O-N 3.37Å; A103-V558 HydrophobicContact CB-CG1 4.34Å |
| 104 | E | 63.2 | Low | 60.6 | Low | 39 Ų | 39 | 35.7 Ų | 35.7 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 176 | -179 | 162.5 | -136 | 0 | 0 | 111.1 | W100 L106 M107 R108 R638 | W100-E104 HydrophobicContact CD2-CB 4.29Å; W100-E104 HydrophobicContact CH2-CB 4.2Å; W100-E104 HydrophobicContact CZ2-CB 3.58Å; W100-E104 VanDerWaalsContact CZ2-CD 3.43Å; W100-E104 HydrophobicContact CZ2-CG 3.87Å; W100-E104 PolarHBondContact NE1-OE2 3.21Å; W100-E104 VanDerWaalsContact O-CB 3.29Å; W100-E104 WeakPolarHBondContact O-CB 3.37Å; W100-E104 PolarHBondContact O-N 3.08Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 2.91Å; E104-M107 PolarHBondContact O-N 3.43Å; E104-R108 HydrophobicContact CG-CG 4.1Å; E104-R108 WeakPolarHBondContact O-CB 3.45Å; E104-R108 WeakPolarHBondContact O-CG 3.18Å; E104-R108 PolarHBondContact O-N 2.98Å; E104-R108 IonicContact OE1-CZ 2.65Å; E104-R108 VanDerWaalsContact OE1-CZ 3.24Å; E104-R108 IonicContact OE1-NE 3.84Å; E104-R108 PolarHBondContact OE1-NE 2.99Å; E104-R108 IonicContact OE1-NH2 2.8Å; E104-R108 PolarHBondContact OE1-NH2 3.01Å; E104-R638 IonicContact OE1-NH1 3.15Å; E104-R638 IonicContact OE2-NH1 3.73Å |
| 105 | R | 65.2 | Low | 59.2 | Low | 118 Ų | 118 | 39.7 Ų | 39.7 | 45% | 0.445 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.4 | -30.1 | 177.8 | 178.4 | 167 | 136.6 | -153 | -4.2 | 112.9 | R101 A103 F109 N115 A116 | R101-R105 WeakPolarHBondContact O-CA 3.46Å; R101-R105 WeakPolarHBondContact O-CB 3.26Å; R101-R105 PolarHBondContact O-N 3.33Å; A103-R105 PolarHBondContact O-N 3.44Å; R105-F109 WeakPolarHBondContact O-CB 3.33Å; R105-F109 PolarHBondContact O-N 3.23Å; R105-N115 WeakPolarHBondContact CG-O 3.26Å; R105-A116 VanDerWaalsContact CZ-O 3.26Å; R105-A116 PolarHBondContact NE-O 3.47Å; R105-A116 PolarHBondContact NH2-O 3.31Å |
| 106 | L | 69.1 | Low | 57.9 | Low | 22 Ų | 22 | 38.6 Ų | 38.6 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -81.6 | -40.5 | 175.1 | -75.5 | 171.2 | 0 | 0 | 0 | 112.8 | E60 L61 L64 Q102 A103 E104 F109 | E60-L106 HydrophobicContact CB-CD1 4.25Å; E60-L106 HydrophobicContact CB-CD2 4.38Å; L61-L106 HydrophobicContact CD2-CB 3.6Å; L61-L106 HydrophobicContact CD2-CD1 4.22Å; L61-L106 HydrophobicContact CG-CB 4.02Å; L61-L106 HydrophobicContact CG-CD1 4.44Å; L64-L106 HydrophobicContact CD2-CD1 4.13Å; Q102-L106 HydrophobicContact CG-CD1 4.17Å; Q102-L106 WeakPolarHBondContact O-CB 3.19Å; Q102-L106 VanDerWaalsContact O-CG 3.27Å; Q102-L106 WeakPolarHBondContact O-CG 3.48Å; Q102-L106 PolarHBondContact O-N 3.4Å; A103-L106 PolarHBondContact O-N 2.73Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 2.91Å; L106-F109 VanDerWaalsContact O-CB 3.27Å; L106-F109 WeakPolarHBondContact O-CB 3.18Å; L106-F109 PolarHBondContact O-N 3.06Å; L106-F109 VanDerWaalsContact O-N 3.15Å |
| 107 | M | 65.1 | Low | 56.5 | Low | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | 175 | -77.3 | 179.7 | 167.7 | 0 | 0 | 112.2 | L61 A103 E104 F109 V561 I562 Y565 S627 L631 I634 | L61-M107 HydrophobicContact CD2-CG 4.33Å; A103-M107 WeakPolarHBondContact O-CB 3.33Å; A103-M107 PolarHBondContact O-N 3.37Å; E104-M107 PolarHBondContact O-N 3.43Å; M107-F109 PolarHBondContact O-N 2.96Å; M107-V561 HydrophobicContact CE-CG1 3.99Å; M107-I562 HydrophobicContact CE-CB 4.12Å; M107-I562 HydrophobicContact CE-CG1 3.57Å; M107-Y565 HydrophobicContact CG-CD1 4.16Å; M107-Y565 HydrophobicContact CG-CE1 4.31Å; M107-S627 WeakPolarHBondContact O-CB 3.37Å; M107-L631 HydrophobicContact CB-CD1 4.38Å; M107-L631 HydrophobicContact CB-CD2 3.9Å; M107-L631 HydrophobicContact CB-CG 4.26Å; M107-L631 HydrophobicContact SD-CD2 4.1Å; M107-I634 HydrophobicContact CE-CD1 4.29Å; M107-I634 HydrophobicContact SD-CD1 3.85Å |
| 108 | R | 60.7 | Low | 55.3 | Low | 107 Ų | 107 | 47.3 Ų | 47.3 | 40% | 0.404 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -73.2 | -3.2 | 169.6 | -63.6 | -174.8 | -172.4 | -74.8 | -1.4 | 112.6 | E104 N110 D113 L631 | E104-R108 HydrophobicContact CG-CG 4.1Å; E104-R108 WeakPolarHBondContact O-CB 3.45Å; E104-R108 WeakPolarHBondContact O-CG 3.18Å; E104-R108 PolarHBondContact O-N 2.98Å; E104-R108 IonicContact OE1-CZ 2.65Å; E104-R108 VanDerWaalsContact OE1-CZ 3.24Å; E104-R108 IonicContact OE1-NE 3.84Å; E104-R108 PolarHBondContact OE1-NE 2.99Å; E104-R108 IonicContact OE1-NH2 2.8Å; E104-R108 PolarHBondContact OE1-NH2 3.01Å; R108-N110 PolarHBondContact O-N 3.3Å; R108-D113 WeakPolarHBondContact O-CB 3.46Å; R108-L631 HydrophobicContact CG-CD1 3.56Å; R108-L631 HydrophobicContact CG-CD2 4.25Å |
| 109 | F | 58.3 | Low | 54 | Low | 9 Ų | 9 | 50.3 Ų | 50.3 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | trans | -78.1 | 60.9 | 170 | -138.4 | -71.1 | 0 | 0 | 0 | 110 | H53 R57 R105 L106 M107 A111 G114 N115 W122 | H53-F109 AromaticContact CE1-CD1 3.86Å; H53-F109 AromaticContact CE1-CE1 3.35Å; H53-F109 WeakPolarHBondContact CE1-CE1 3.12Å; H53-F109 AromaticContact CE1-CZ 3.98Å; H53-F109 AromaticContact NE2-CD1 3.24Å; H53-F109 WeakPolarHBondContact NE2-CD1 3.21Å; H53-F109 AromaticContact NE2-CE1 3.23Å; H53-F109 WeakPolarHBondContact NE2-CE1 3.39Å; R57-F109 WeakPolarHBondContact CD-O 3.32Å; R57-F109 PolarHBondContact NE-O 3.34Å; R57-F109 VanDerWaalsContact NH1-C 3.3Å; R57-F109 PolarHBondContact NH1-O 3.41Å; R105-F109 WeakPolarHBondContact O-CB 3.33Å; R105-F109 PolarHBondContact O-N 3.23Å; L106-F109 VanDerWaalsContact O-CB 3.27Å; L106-F109 WeakPolarHBondContact O-CB 3.18Å; L106-F109 PolarHBondContact O-N 3.06Å; L106-F109 VanDerWaalsContact O-N 3.15Å; M107-F109 PolarHBondContact O-N 2.96Å; F109-A111 PolarHBondContact O-N 3.14Å; F109-G114 VanDerWaalsContact CZ-C 3.41Å; F109-G114 VanDerWaalsContact CZ-CA 3.43Å; F109-N115 WeakPolarHBondContact CE2-O 3.48Å; F109-W122 HydrophobicContact CE1-CH2 4.44Å; F109-W122 HydrophobicContact CE1-CZ2 4.02Å; F109-W122 HydrophobicContact CZ-CH2 4.49Å; F109-W122 AromaticContact CZ-CZ2 3.68Å; F109-W122 HydrophobicContact CZ-CZ2 3.68Å | ||
| 110 | N | 51.5 | Low | 52.8 | Low | 16 Ų | 16 | 54.7 Ų | 54.7 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | trans | -52.2 | 140.9 | 153.7 | -158.2 | -31.5 | 0 | 0 | 0 | 106.4 | Y50 R108 V112 D113 | Y50-N110 WeakPolarHBondContact CE2-OD1 3.42Å; Y50-N110 PolarHBondContact OH-OD1 3.08Å; R108-N110 PolarHBondContact O-N 3.3Å; N110-V112 HydrophobicContact CB-CB 4.18Å; N110-V112 PolarHBondContact O-N 3.39Å; N110-D113 HydrophobicContact CB-CB 4.29Å; N110-D113 VanDerWaalsContact CB-OD2 3.26Å; N110-D113 WeakPolarHBondContact CB-OD2 3.35Å; N110-D113 PolarHBondContact O-N 3.12Å | ||
| 111 | A | 49.2 | Very low | 51.7 | Low | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -11.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y50 H53 D54 F109 | Y50-A111 HydrophobicContact CD2-CB 3.37Å; Y50-A111 HydrophobicContact CE2-CB 3.47Å; Y50-A111 VanDerWaalsContact CE2-CB 3.47Å; Y50-A111 HydrophobicContact CG-CB 4.08Å; H53-A111 HydrophobicContact CB-CB 3.84Å; D54-A111 WeakPolarHBondContact OD1-CB 3.23Å; D54-A111 PolarHBondContact OD1-N 2.9Å; F109-A111 PolarHBondContact O-N 3.14Å |
| 112 | V | 48.1 | Very low | 50.3 | Low | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.085 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -35.2 | 161.7 | -174.5 | 0 | 0 | 0 | 0 | 113.8 | Y50 N110 I133 K134 T137 | Y50-V112 HydrophobicContact CE2-CG2 3.86Å; N110-V112 HydrophobicContact CB-CB 4.18Å; N110-V112 PolarHBondContact O-N 3.39Å; V112-I133 HydrophobicContact CB-CG2 4.39Å; V112-I133 HydrophobicContact CG1-CG2 4.44Å; V112-I133 HydrophobicContact CG2-CG2 4.16Å; V112-K134 WeakPolarHBondContact O-CE 3.4Å; V112-K134 WeakPolarHBondContact O-CG 3.17Å; V112-T137 HydrophobicContact CG1-CG2 3.76Å; V112-T137 WeakPolarHBondContact CG1-OG1 3.39Å; V112-T137 HydrophobicContact CG2-CG2 4.38Å |
| 113 | D | 45.2 | Very low | 48.9 | Very low | 56 Ų | 56 | 57.3 Ų | 57.3 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -15.4 | -160.4 | -69.9 | -43.6 | 0 | 0 | 0 | 116.6 | R108 N110 N115 K134 | R108-D113 WeakPolarHBondContact O-CB 3.46Å; N110-D113 HydrophobicContact CB-CB 4.29Å; N110-D113 VanDerWaalsContact CB-OD2 3.26Å; N110-D113 WeakPolarHBondContact CB-OD2 3.35Å; N110-D113 PolarHBondContact O-N 3.12Å; D113-N115 VanDerWaalsContact C-N 3.34Å; D113-N115 PolarHBondContact O-N 3.23Å; D113-K134 VanDerWaalsContact CA-CE 3.49Å; D113-K134 WeakPolarHBondContact O-CE 3.26Å; D113-K134 PolarHBondContact O-NZ 2.78Å |
| 114 | G | 39.5 | Very low | 47.7 | Very low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | 65.3 | 9.2 | 139.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | F109 K126 | F109-G114 VanDerWaalsContact CZ-C 3.41Å; F109-G114 VanDerWaalsContact CZ-CA 3.43Å; G114-K126 WeakPolarHBondContact O-CE 3.37Å; G114-K126 PolarHBondContact O-NZ 3.33Å | ||
| 115 | N | 40.6 | Very low | 46.5 | Very low | 113 Ų | 113 | 64 Ų | 64 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | trans | -102.7 | 106.4 | -174.6 | -95.6 | -14.6 | 0 | 0 | 0 | 115.8 | R105 F109 D113 | R105-N115 WeakPolarHBondContact CG-O 3.26Å; F109-N115 WeakPolarHBondContact CE2-O 3.48Å; D113-N115 VanDerWaalsContact C-N 3.34Å; D113-N115 PolarHBondContact O-N 3.23Å | ||
| 116 | A | 40 | Very low | 45.2 | Very low | 48 Ų | 48 | 61.4 Ų | 61.4 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | trans | 75.8 | 111.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | R105 | R105-A116 VanDerWaalsContact CZ-O 3.26Å; R105-A116 PolarHBondContact NE-O 3.47Å; R105-A116 PolarHBondContact NH2-O 3.31Å | ||
| 117 | M | 34.7 | Very low | 43.8 | Very low | 95 Ų | 95 | 64 Ų | 64 | 47% | 0.468 | 36% | 0.364 | S | S | . | . | trans | -138.8 | 163.3 | 150.3 | -120.7 | -155.1 | 179.3 | 0 | 0 | 107.4 | E60 W122 | E60-M117 HydrophobicContact CG-CE 4.01Å; M117-W122 HydrophobicContact CB-CB 4.32Å; M117-W122 HydrophobicContact CB-CG 4.03Å | ||
| 118 | P | 39.1 | Very low | 42.7 | Very low | 98 Ų | 98 | 73.4 Ų | 73.4 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | trans | -56.8 | 154.8 | -174.7 | -28.5 | 37.1 | 0 | 0 | 0 | 116.2 | T120 W122 | P118-T120 PolarHBondContact O-N 3.36Å; P118-W122 VanDerWaalsContact O-CB 3.27Å; P118-W122 WeakPolarHBondContact O-CB 3.42Å | ||
| 119 | T | 37.5 | Very low | 41.7 | Very low | 116 Ų | 116 | 68.9 Ų | 68.9 | 71% | 0.712 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 0.4 | -147.9 | 40.2 | 0 | 0 | 0 | 0 | 117.6 | T123 | T119-T123 WeakPolarHBondContact O-CB 3.3Å; T119-T123 PolarHBondContact O-OG1 3.41Å |
| 120 | T | 42 | Very low | 40.9 | Very low | 112 Ų | 112 | 68.6 Ų | 68.6 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -63.4 | -176.9 | 47.9 | 0 | 0 | 0 | 0 | 113 | P118 | P118-T120 PolarHBondContact O-N 3.36Š|
| 121 | I | 38.9 | Very low | 40.5 | Very low | 134 Ų | 134 | 69.4 Ų | 69.4 | 69% | 0.687 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -76.3 | -36.7 | -179.1 | -61.2 | 174.9 | 0 | 0 | 0 | 111 | T123 L125 | I121-T123 VanDerWaalsContact C-N 3.33Å; I121-T123 PolarHBondContact O-N 3.4Å; I121-L125 HydrophobicContact CG2-CD1 4.47Å |
| 122 | W | 36.6 | Very low | 40.2 | Very low | 23 Ų | 23 | 70.6 Ų | 70.6 | 9% | 0.087 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.4 | -34.8 | -178.5 | -170.4 | -141.8 | 0 | 0 | 0 | 112 | H53 F109 M117 P118 V124 L125 K126 V130 | H53-W122 AromaticContact CE1-CH2 3.44Å; H53-W122 VanDerWaalsContact CE1-CH2 3.44Å; H53-W122 WeakPolarHBondContact CE1-CH2 3.25Å; H53-W122 AromaticContact CE1-CZ2 3.96Å; H53-W122 AromaticContact CE1-CZ3 3.83Å; H53-W122 AromaticContact ND1-CH2 3.16Å; H53-W122 WeakPolarHBondContact ND1-CH2 3.32Å; H53-W122 AromaticContact ND1-CZ3 3.34Å; H53-W122 VanDerWaalsContact ND1-CZ3 3.34Å; H53-W122 WeakPolarHBondContact ND1-CZ3 3.42Å; F109-W122 HydrophobicContact CE1-CH2 4.44Å; F109-W122 HydrophobicContact CE1-CZ2 4.02Å; F109-W122 HydrophobicContact CZ-CH2 4.49Å; F109-W122 AromaticContact CZ-CZ2 3.68Å; F109-W122 HydrophobicContact CZ-CZ2 3.68Å; M117-W122 HydrophobicContact CB-CB 4.32Å; M117-W122 HydrophobicContact CB-CG 4.03Å; P118-W122 VanDerWaalsContact O-CB 3.27Å; P118-W122 WeakPolarHBondContact O-CB 3.42Å; W122-V124 PolarHBondContact O-N 3.01Å; W122-L125 HydrophobicContact CE3-CB 4.26Å; W122-L125 HydrophobicContact CZ3-CB 4.35Å; W122-L125 PolarHBondContact O-N 2.95Å; W122-K126 HydrophobicContact CD2-CB 3.9Å; W122-K126 HydrophobicContact CD2-CG 4.44Å; W122-K126 HydrophobicContact CE3-CB 4.22Å; W122-K126 HydrophobicContact CG-CB 4.33Å; W122-K126 HydrophobicContact CH2-CB 4.34Å; W122-K126 HydrophobicContact CH2-CG 4.42Å; W122-K126 HydrophobicContact CZ2-CB 4.05Å; W122-K126 HydrophobicContact CZ2-CD 4.29Å; W122-K126 HydrophobicContact CZ2-CG 3.83Å; W122-K126 HydrophobicContact CZ3-CB 4.43Å; W122-K126 WeakPolarHBondContact O-CA 3.46Å; W122-K126 WeakPolarHBondContact O-CB 3.33Å; W122-K126 PolarHBondContact O-N 3.48Å; W122-V130 HydrophobicContact CH2-CG2 3.46Å; W122-V130 VanDerWaalsContact CH2-CG2 3.46Å; W122-V130 HydrophobicContact CZ2-CG2 3.72Å |
| 123 | T | 37.9 | Very low | 39.9 | Very low | 81 Ų | 81 | 70 Ų | 70 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | -177 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | T119 I121 A127 | T119-T123 WeakPolarHBondContact O-CB 3.3Å; T119-T123 PolarHBondContact O-OG1 3.41Å; I121-T123 VanDerWaalsContact C-N 3.33Å; I121-T123 PolarHBondContact O-N 3.4Å; T123-A127 VanDerWaalsContact O-CB 3.29Å; T123-A127 WeakPolarHBondContact O-CB 3.19Å; T123-A127 PolarHBondContact O-N 2.9Å |
| 124 | V | 40.4 | Very low | 39.7 | Very low | 113 Ų | 113 | 68.7 Ų | 68.7 | 69% | 0.685 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -72.4 | -34.9 | 179.9 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | W122 | W122-V124 PolarHBondContact O-N 3.01Å |
| 125 | L | 36.8 | Very low | 39.9 | Very low | 68 Ų | 68 | 70 Ų | 70 | 36% | 0.356 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -83.6 | -45.6 | 177.5 | -81.9 | 159.7 | 0 | 0 | 0 | 112.1 | I121 W122 A127 R128 V129 | I121-L125 HydrophobicContact CG2-CD1 4.47Å; W122-L125 HydrophobicContact CE3-CB 4.26Å; W122-L125 HydrophobicContact CZ3-CB 4.35Å; W122-L125 PolarHBondContact O-N 2.95Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 PolarHBondContact O-N 3.33Å; L125-R128 CarbonylContact O-C 3.6Å; L125-R128 PolarHBondContact O-N 3.41Å; L125-V129 HydrophobicContact CD2-CG2 4.45Å; L125-V129 VanDerWaalsContact O-CB 3.29Å; L125-V129 WeakPolarHBondContact O-CB 3.34Å; L125-V129 VanDerWaalsContact O-CG2 3.23Å; L125-V129 WeakPolarHBondContact O-CG2 3.36Å; L125-V129 PolarHBondContact O-N 3.31Å |
| 126 | K | 38.2 | Very low | 40.1 | Very low | 63 Ų | 63 | 65.5 Ų | 65.5 | 27% | 0.274 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.2 | -44 | 179.8 | -166.1 | -171.2 | -168.8 | -176.2 | 0 | 111.7 | G114 W122 R128 V129 V130 G131 | G114-K126 WeakPolarHBondContact O-CE 3.37Å; G114-K126 PolarHBondContact O-NZ 3.33Å; W122-K126 HydrophobicContact CD2-CB 3.9Å; W122-K126 HydrophobicContact CD2-CG 4.44Å; W122-K126 HydrophobicContact CE3-CB 4.22Å; W122-K126 HydrophobicContact CG-CB 4.33Å; W122-K126 HydrophobicContact CH2-CB 4.34Å; W122-K126 HydrophobicContact CH2-CG 4.42Å; W122-K126 HydrophobicContact CZ2-CB 4.05Å; W122-K126 HydrophobicContact CZ2-CD 4.29Å; W122-K126 HydrophobicContact CZ2-CG 3.83Å; W122-K126 HydrophobicContact CZ3-CB 4.43Å; W122-K126 WeakPolarHBondContact O-CA 3.46Å; W122-K126 WeakPolarHBondContact O-CB 3.33Å; W122-K126 PolarHBondContact O-N 3.48Å; K126-R128 PolarHBondContact O-N 2.65Å; K126-V129 PolarHBondContact O-N 3.38Å; K126-V130 HydrophobicContact CG-CB 3.74Å; K126-V130 HydrophobicContact CG-CG1 4.2Å; K126-V130 HydrophobicContact CG-CG2 4.17Å; K126-V130 PolarHBondContact O-N 3.22Å; K126-V130 VanDerWaalsContact O-N 3.07Å; K126-G131 PolarHBondContact O-N 3.25Å |
| 127 | A | 38.8 | Very low | 40.1 | Very low | 76 Ų | 76 | 64.3 Ų | 64.3 | 63% | 0.628 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T123 L125 | T123-A127 VanDerWaalsContact O-CB 3.29Å; T123-A127 WeakPolarHBondContact O-CB 3.19Å; T123-A127 PolarHBondContact O-N 2.9Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 PolarHBondContact O-N 3.33Å |
| 128 | R | 42.6 | Very low | 40.3 | Very low | 199 Ų | 199 | 61.7 Ų | 61.7 | 75% | 0.751 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -1.7 | -177.3 | -109.7 | -177.1 | 178.1 | -178.6 | 0.1 | 114.8 | L125 K126 I132 | L125-R128 CarbonylContact O-C 3.6Å; L125-R128 PolarHBondContact O-N 3.41Å; K126-R128 PolarHBondContact O-N 2.65Å; R128-I132 WeakPolarHBondContact O-CD1 3.47Å |
| 129 | V | 40.6 | Very low | 40.3 | Very low | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | -70.1 | -171.6 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | A49 L125 K126 G131 I132 I133 | A49-V129 HydrophobicContact CB-CB 4.04Å; A49-V129 HydrophobicContact CB-CG1 3.51Å; A49-V129 HydrophobicContact CB-CG2 3.38Å; L125-V129 HydrophobicContact CD2-CG2 4.45Å; L125-V129 VanDerWaalsContact O-CB 3.29Å; L125-V129 WeakPolarHBondContact O-CB 3.34Å; L125-V129 VanDerWaalsContact O-CG2 3.23Å; L125-V129 WeakPolarHBondContact O-CG2 3.36Å; L125-V129 PolarHBondContact O-N 3.31Å; K126-V129 PolarHBondContact O-N 3.38Å; V129-G131 VanDerWaalsContact C-N 3.33Å; V129-G131 PolarHBondContact O-N 3.18Å; V129-I132 CarbonylContact O-C 3.51Å; V129-I132 VanDerWaalsContact O-CA 3.28Å; V129-I132 WeakPolarHBondContact O-CA 3.48Å; V129-I132 WeakPolarHBondContact O-CB 3.33Å; V129-I132 PolarHBondContact O-N 3.28Å; V129-I133 HydrophobicContact CG1-CD1 4.06Å; V129-I133 VanDerWaalsContact O-CG1 3.3Å; V129-I133 WeakPolarHBondContact O-CG1 3.4Å; V129-I133 PolarHBondContact O-N 3.49Å |
| 130 | V | 40.5 | Very low | 40.1 | Very low | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -66.1 | -36.4 | 179.5 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | W122 K126 I132 I133 K134 | W122-V130 HydrophobicContact CH2-CG2 3.46Å; W122-V130 VanDerWaalsContact CH2-CG2 3.46Å; W122-V130 HydrophobicContact CZ2-CG2 3.72Å; K126-V130 HydrophobicContact CG-CB 3.74Å; K126-V130 HydrophobicContact CG-CG1 4.2Å; K126-V130 HydrophobicContact CG-CG2 4.17Å; K126-V130 PolarHBondContact O-N 3.22Å; K126-V130 VanDerWaalsContact O-N 3.07Å; V130-I132 PolarHBondContact O-N 3.31Å; V130-I133 PolarHBondContact O-N 3.27Å; V130-K134 HydrophobicContact CG1-CD 4.02Å; V130-K134 HydrophobicContact CG1-CG 3.99Å; V130-K134 WeakPolarHBondContact O-CB 3.44Å; V130-K134 PolarHBondContact O-N 3.04Å |
| 131 | G | 42.8 | Very low | 39.7 | Very low | 32 Ų | 32 | 59 Ų | 59 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -66.3 | -13.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K126 V129 N135 | K126-G131 PolarHBondContact O-N 3.25Å; V129-G131 VanDerWaalsContact C-N 3.33Å; V129-G131 PolarHBondContact O-N 3.18Å; G131-N135 PolarHBondContact O-ND2 3.1Å; G131-N135 PolarHBondContact O-OD1 2.86Å |
| 132 | I | 44 | Very low | 39.6 | Very low | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.138 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -104.8 | 5.2 | 172.2 | -46.9 | -168.4 | 0 | 0 | 0 | 110.1 | E42 I46 R128 V129 V130 Y136 | E42-I132 HydrophobicContact CB-CG2 3.46Å; E42-I132 VanDerWaalsContact CB-CG2 3.46Å; E42-I132 HydrophobicContact CG-CG2 4.25Å; I46-I132 HydrophobicContact CD1-CG2 4.44Å; I46-I132 WeakPolarHBondContact CD1-O 3.46Å; I46-I132 HydrophobicContact CG1-CG2 3.86Å; I46-I132 WeakPolarHBondContact CG1-O 3.44Å; R128-I132 WeakPolarHBondContact O-CD1 3.47Å; V129-I132 CarbonylContact O-C 3.51Å; V129-I132 VanDerWaalsContact O-CA 3.28Å; V129-I132 WeakPolarHBondContact O-CA 3.48Å; V129-I132 WeakPolarHBondContact O-CB 3.33Å; V129-I132 PolarHBondContact O-N 3.28Å; V130-I132 PolarHBondContact O-N 3.31Å; I132-Y136 HydrophobicContact CG2-CE2 4.1Å; I132-Y136 WeakPolarHBondContact O-CD2 3.48Å; I132-Y136 VanDerWaalsContact O-CE2 3.31Å; I132-Y136 WeakPolarHBondContact O-CE2 3.29Å |
| 133 | I | 41.1 | Very low | 40 | Very low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -48.1 | 176.4 | -63.9 | 173.2 | 0 | 0 | 0 | 110.5 | I46 Y50 V112 V129 V130 N135 Y136 T137 M622 | I46-I133 HydrophobicContact CB-CG1 4.18Å; I46-I133 HydrophobicContact CG1-CG1 3.97Å; I46-I133 HydrophobicContact CG2-CD1 4.19Å; I46-I133 HydrophobicContact CG2-CG1 3.84Å; Y50-I133 HydrophobicContact CD2-CD1 4.06Å; Y50-I133 HydrophobicContact CG-CD1 4.47Å; V112-I133 HydrophobicContact CB-CG2 4.39Å; V112-I133 HydrophobicContact CG1-CG2 4.44Å; V112-I133 HydrophobicContact CG2-CG2 4.16Å; V129-I133 HydrophobicContact CG1-CD1 4.06Å; V129-I133 VanDerWaalsContact O-CG1 3.3Å; V129-I133 WeakPolarHBondContact O-CG1 3.4Å; V129-I133 PolarHBondContact O-N 3.49Å; V130-I133 PolarHBondContact O-N 3.27Å; I133-N135 VanDerWaalsContact C-N 3.26Å; I133-N135 PolarHBondContact O-N 2.76Å; I133-Y136 PolarHBondContact O-N 3.32Å; I133-T137 HydrophobicContact CG2-CG2 4.22Å; I133-T137 PolarHBondContact O-N 3.27Å; I133-T137 VanDerWaalsContact O-N 3.16Å; I133-T137 PolarHBondContact O-OG1 2.86Å; I133-M622 HydrophobicContact CG2-CE 4.34Å |
| 134 | K | 41.1 | Very low | 40.5 | Very low | 29 Ų | 29 | 51.3 Ų | 51.3 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.9 | 177.8 | -84.9 | -164.6 | 161.9 | -96.5 | 0 | 114.8 | V112 D113 V130 Y136 E139 | V112-K134 WeakPolarHBondContact O-CE 3.4Å; V112-K134 WeakPolarHBondContact O-CG 3.17Å; D113-K134 VanDerWaalsContact CA-CE 3.49Å; D113-K134 WeakPolarHBondContact O-CE 3.26Å; D113-K134 PolarHBondContact O-NZ 2.78Å; V130-K134 HydrophobicContact CG1-CD 4.02Å; V130-K134 HydrophobicContact CG1-CG 3.99Å; V130-K134 WeakPolarHBondContact O-CB 3.44Å; V130-K134 PolarHBondContact O-N 3.04Å; K134-Y136 PolarHBondContact O-N 2.84Å; K134-E139 PolarHBondContact NZ-O 3.13Å |
| 135 | N | 44.2 | Very low | 40.9 | Very low | 28 Ų | 28 | 47 Ų | 47 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -37.1 | 171.9 | -68.8 | 19.6 | 0 | 0 | 0 | 110.3 | G131 I133 G142 P143 V144 G145 | G131-N135 PolarHBondContact O-ND2 3.1Å; G131-N135 PolarHBondContact O-OD1 2.86Å; I133-N135 VanDerWaalsContact C-N 3.26Å; I133-N135 PolarHBondContact O-N 2.76Å; N135-G142 WeakPolarHBondContact OD1-CA 3.49Å; N135-P143 WeakPolarHBondContact ND2-CD 3.48Å; N135-V144 CarbonylContact C-O 3.47Å; N135-V144 CarbonylContact O-C 3.57Å; N135-G145 VanDerWaalsContact O-CA 3.29Å; N135-G145 WeakPolarHBondContact O-CA 3.37Å; N135-G145 PolarHBondContact O-N 3.01Å; N135-G145 VanDerWaalsContact O-N 3.15Å |
| 136 | Y | 43.5 | Very low | 41.7 | Very low | 19 Ų | 19 | 44.3 Ų | 44.3 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -24.2 | -167.7 | -57.5 | -57 | 0 | 0 | 0 | 115.6 | S39 I46 I132 I133 K134 V144 L146 | S39-Y136 WeakPolarHBondContact CA-OH 3.34Å; S39-Y136 WeakPolarHBondContact CB-OH 3.4Å; S39-Y136 WeakPolarHBondContact OG-CE1 3.39Å; S39-Y136 VanDerWaalsContact OG-CZ 3.3Å; S39-Y136 PolarHBondContact OG-OH 3.36Å; I46-Y136 HydrophobicContact CD1-CD2 3.67Å; I46-Y136 HydrophobicContact CD1-CE2 4.34Å; I46-Y136 HydrophobicContact CD1-CG 4.41Å; I132-Y136 HydrophobicContact CG2-CE2 4.1Å; I132-Y136 WeakPolarHBondContact O-CD2 3.48Å; I132-Y136 VanDerWaalsContact O-CE2 3.31Å; I132-Y136 WeakPolarHBondContact O-CE2 3.29Å; I133-Y136 PolarHBondContact O-N 3.32Å; K134-Y136 PolarHBondContact O-N 2.84Å; Y136-V144 WeakPolarHBondContact CD1-O 3.47Å; Y136-V144 WeakPolarHBondContact CE1-O 3.3Å; Y136-L146 HydrophobicContact CD1-CD1 4.47Å; Y136-L146 HydrophobicContact CD1-CD2 4.3Å; Y136-L146 HydrophobicContact CD1-CG 3.75Å; Y136-L146 HydrophobicContact CG-CD1 4.25Å; Y136-L146 HydrophobicContact CG-CG 3.98Å; Y136-L146 PolarHBondContact O-N 3.17Å |
| 137 | T | 41.5 | Very low | 42.6 | Very low | 22 Ų | 22 | 41.4 Ų | 41.4 | 14% | 0.135 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -95 | 10.5 | -178.3 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | V112 I133 E139 W615 | V112-T137 HydrophobicContact CG1-CG2 3.76Å; V112-T137 WeakPolarHBondContact CG1-OG1 3.39Å; V112-T137 HydrophobicContact CG2-CG2 4.38Å; I133-T137 HydrophobicContact CG2-CG2 4.22Å; I133-T137 PolarHBondContact O-N 3.27Å; I133-T137 VanDerWaalsContact O-N 3.16Å; I133-T137 PolarHBondContact O-OG1 2.86Å; T137-E139 VanDerWaalsContact C-N 3.32Å; T137-E139 PolarHBondContact O-N 2.91Å; T137-W615 HydrophobicContact CG2-CZ2 4Å |
| 138 | G | 39.1 | Very low | 43.5 | Very low | 40 Ų | 40 | 38.8 Ų | 38.8 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 83.3 | -15.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | A140 | G138-A140 PolarHBondContact O-N 3.1Š|
| 139 | E | 38.5 | Very low | 44.6 | Very low | 125 Ų | 125 | 33.6 Ų | 33.6 | 58% | 0.584 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -96.9 | 75.4 | -174.5 | -76.2 | -91.6 | 157.2 | 0 | 0 | 113.3 | K134 T137 | K134-E139 PolarHBondContact NZ-O 3.13Å; T137-E139 VanDerWaalsContact C-N 3.32Å; T137-E139 PolarHBondContact O-N 2.91Å |
| 140 | A | 32.9 | Very low | 45.7 | Very low | 52 Ų | 52 | 36 Ų | 36 | 43% | 0.43 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 88.3 | 108 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | G138 | G138-A140 PolarHBondContact O-N 3.1Š|
| 141 | V | 34 | Very low | 46.8 | Very low | 94 Ų | 94 | 35.9 Ų | 35.9 | 57% | 0.57 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 76.8 | 53.5 | 138.9 | -163.5 | 0 | 0 | 0 | 0 | 117.1 | P376 I377 | V141-P376 VanDerWaalsContact CA-O 3.31Å; V141-P376 WeakPolarHBondContact CA-O 3.4Å; V141-P376 HydrophobicContact CG1-CB 3.45Å; V141-P376 VanDerWaalsContact CG1-CB 3.45Å; V141-I377 HydrophobicContact CG1-CG2 4.14Å; V141-I377 HydrophobicContact CG2-CG2 3.96Å |
| 142 | G | 37 | Very low | 48 | Very low | 18 Ų | 18 | 34.9 Ų | 34.9 | 19% | 0.186 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -161.5 | 163 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110 | N135 V144 | N135-G142 WeakPolarHBondContact OD1-CA 3.49Å; G142-V144 PolarHBondContact O-N 3.19Å |
| 143 | P | 44 | Very low | 49.5 | Very low | 50 Ų | 50 | 36.9 Ų | 36.9 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -69.7 | 132.9 | -166.8 | 27 | -35.6 | 0 | 0 | 0 | 113.8 | Y32 N135 | Y32-P143 HydrophobicContact CD1-CB 3.75Å; Y32-P143 HydrophobicContact CE1-CB 4.07Å; N135-P143 WeakPolarHBondContact ND2-CD 3.48Å |
| 144 | V | 49.4 | Very low | 50.7 | Low | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | trans | 54.3 | 121.4 | 175.6 | -103.2 | 0 | 0 | 0 | 0 | 119.3 | L26 Y32 S35 L36 N135 Y136 G142 | L26-V144 HydrophobicContact CD1-CG1 4.44Å; L26-V144 HydrophobicContact CD2-CG1 3.64Å; L26-V144 HydrophobicContact CG-CG1 4.17Å; Y32-V144 HydrophobicContact CD1-CG1 4.4Å; Y32-V144 HydrophobicContact CD1-CG2 4.48Å; Y32-V144 HydrophobicContact CD2-CG1 4.27Å; Y32-V144 HydrophobicContact CG-CB 4.5Å; Y32-V144 HydrophobicContact CG-CG1 3.77Å; Y32-V144 HydrophobicContact CG-CG2 4.49Å; S35-V144 VanDerWaalsContact CB-CG2 3.5Å; S35-V144 WeakPolarHBondContact OG-CG2 3.28Å; L36-V144 HydrophobicContact CB-CG1 4.46Å; L36-V144 HydrophobicContact CB-CG2 4.24Å; L36-V144 HydrophobicContact CD1-CB 4.07Å; L36-V144 HydrophobicContact CD1-CG1 4.16Å; L36-V144 HydrophobicContact CD1-CG2 4.41Å; N135-V144 CarbonylContact C-O 3.47Å; N135-V144 CarbonylContact O-C 3.57Å; Y136-V144 WeakPolarHBondContact CD1-O 3.47Å; Y136-V144 WeakPolarHBondContact CE1-O 3.3Å; G142-V144 PolarHBondContact O-N 3.19Å | ||
| 145 | G | 48 | Very low | 52.3 | Low | 23 Ų | 23 | 35.8 Ų | 35.8 | 24% | 0.237 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 151.1 | 150 | 0 | 0 | 0 | 0 | 0 | 111.5 | L36 N135 | L36-G145 WeakPolarHBondContact CD1-O 3.41Å; N135-G145 VanDerWaalsContact O-CA 3.29Å; N135-G145 WeakPolarHBondContact O-CA 3.37Å; N135-G145 PolarHBondContact O-N 3.01Å; N135-G145 VanDerWaalsContact O-N 3.15Å |
| 146 | L | 54.3 | Low | 54 | Low | 11 Ų | 11 | 34.4 Ų | 34.4 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -69 | 141.9 | 155.7 | -70.9 | 168.5 | 0 | 0 | 0 | 107 | L36 V43 Y136 L611 W615 | L36-L146 HydrophobicContact CD1-CD2 4.45Å; V43-L146 HydrophobicContact CG2-CD1 3.91Å; Y136-L146 HydrophobicContact CD1-CD1 4.47Å; Y136-L146 HydrophobicContact CD1-CD2 4.3Å; Y136-L146 HydrophobicContact CD1-CG 3.75Å; Y136-L146 HydrophobicContact CG-CD1 4.25Å; Y136-L146 HydrophobicContact CG-CG 3.98Å; Y136-L146 PolarHBondContact O-N 3.17Å; L146-L611 HydrophobicContact CD2-CD1 3.98Å; L146-L611 HydrophobicContact CD2-CD2 3.7Å; L146-L611 HydrophobicContact CD2-CG 3.8Å; L146-W615 HydrophobicContact CB-CB 4.31Å; L146-W615 HydrophobicContact CB-CD2 4.21Å; L146-W615 HydrophobicContact CB-CG 3.8Å; L146-W615 HydrophobicContact CD1-CB 4.19Å; L146-W615 HydrophobicContact CD1-CD2 3.3Å; L146-W615 HydrophobicContact CD1-CE3 3.43Å; L146-W615 VanDerWaalsContact CD1-CE3 3.43Å; L146-W615 HydrophobicContact CD1-CG 3.65Å; L146-W615 HydrophobicContact CD1-CH2 4.3Å; L146-W615 HydrophobicContact CD1-CZ2 4.21Å; L146-W615 HydrophobicContact CD1-CZ3 3.94Å; L146-W615 HydrophobicContact CG-CD2 4.37Å; L146-W615 HydrophobicContact CG-CG 4.36Å |
| 147 | P | 57.6 | Low | 55.6 | Low | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 152.3 | -173.1 | 26.9 | -34.8 | 0 | 0 | 0 | 112.2 | L26 D151 I608 L611 T612 | L26-P147 HydrophobicContact CD1-CB 3.85Å; L26-P147 HydrophobicContact CD1-CG 4.41Å; P147-D151 VanDerWaalsContact CA-OD2 3.24Å; P147-D151 WeakPolarHBondContact CA-OD2 3.28Å; P147-D151 HydrophobicContact CB-CB 3.91Å; P147-D151 WeakPolarHBondContact CB-OD2 3.2Å; P147-I608 HydrophobicContact CB-CG2 3.67Å; P147-I608 HydrophobicContact CG-CB 4.42Å; P147-I608 HydrophobicContact CG-CG1 4.37Å; P147-I608 HydrophobicContact CG-CG2 4Å; P147-I608 WeakPolarHBondContact CG-O 3.35Å; P147-L611 HydrophobicContact CG-CB 3.96Å; P147-L611 HydrophobicContact CG-CD2 4.25Å; P147-L611 HydrophobicContact CG-CG 4.21Å; P147-T612 WeakPolarHBondContact CB-OG1 3.49Å; P147-T612 WeakPolarHBondContact CG-OG1 3.39Å; P147-T612 WeakPolarHBondContact O-CA 3.48Å; P147-T612 PolarHBondContact O-OG1 3.06Å |
| 148 | G | 57.7 | Low | 57.2 | Low | 21 Ų | 21 | 34.1 Ų | 34.1 | 22% | 0.216 | 22% | 0.216 | C | C | . | . | trans | -106 | 178.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E150 D151 T612 | G148-E150 PolarHBondContact O-N 3.42Å; G148-E150 VanDerWaalsContact O-N 3.13Å; G148-D151 PolarHBondContact N-OD2 3.2Å; G148-D151 WeakPolarHBondContact O-CB 3.4Å; G148-D151 PolarHBondContact O-N 2.73Å; G148-D151 VanDerWaalsContact O-N 3.07Å; G148-T612 PolarHBondContact O-OG1 3.4Å | ||
| 149 | D | 64.4 | Low | 59.3 | Low | 91 Ų | 91 | 32.2 Ų | 32.2 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.3 | -29.2 | 173 | -57.3 | -11.8 | 0 | 0 | 0 | 111.1 | V152 I153 T612 N616 | D149-V152 PolarHBondContact O-N 3.3Å; D149-I153 WeakPolarHBondContact O-CG1 3.31Å; D149-I153 PolarHBondContact O-N 2.68Å; D149-T612 WeakPolarHBondContact OD1-CG2 3.46Å; D149-N616 PolarHBondContact OD1-ND2 2.92Å |
| 150 | E | 64 | Low | 61.6 | Low | 60 Ų | 60 | 26.7 Ų | 26.7 | 28% | 0.28 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.1 | -33.6 | 179.5 | -57.3 | 172.3 | -170.5 | 0 | 0 | 112.3 | Q21 C22 A23 G148 G154 | Q21-E150 WeakPolarHBondContact CA-OE2 3.19Å; Q21-E150 WeakPolarHBondContact CB-OE2 3.04Å; Q21-E150 HydrophobicContact CG-CG 4.06Å; Q21-E150 WeakPolarHBondContact CG-OE1 3.26Å; Q21-E150 WeakPolarHBondContact CG-OE2 3.49Å; C22-E150 PolarHBondContact N-OE2 2.65Å; A23-E150 WeakPolarHBondContact CA-OE2 3.42Å; A23-E150 HydrophobicContact CB-CB 3.76Å; A23-E150 HydrophobicContact CB-CG 4.45Å; A23-E150 VanDerWaalsContact CB-OE2 3.25Å; A23-E150 WeakPolarHBondContact CB-OE2 3.4Å; A23-E150 PolarHBondContact N-OE2 2.67Å; G148-E150 PolarHBondContact O-N 3.42Å; G148-E150 VanDerWaalsContact O-N 3.13Å; E150-G154 PolarHBondContact O-N 2.98Å |
| 151 | D | 63.3 | Low | 64 | Low | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.3 | -46.2 | 170.4 | -75.3 | -90.8 | 0 | 0 | 0 | 110.5 | A24 E25 L26 P147 G148 I153 G154 M155 I608 | A24-D151 VanDerWaalsContact C-CG 3.5Å; A24-D151 WeakPolarHBondContact CB-OD1 3.16Å; A24-D151 VanDerWaalsContact CB-OD2 3.32Å; A24-D151 WeakPolarHBondContact CB-OD2 3.48Å; A24-D151 WeakPolarHBondContact O-CA 3.44Å; E25-D151 VanDerWaalsContact CA-OD1 3.32Å; E25-D151 WeakPolarHBondContact CA-OD1 3.34Å; E25-D151 PolarHBondContact N-OD1 3.5Å; L26-D151 WeakPolarHBondContact CB-OD1 3.3Å; L26-D151 PolarHBondContact N-OD1 3.43Å; P147-D151 VanDerWaalsContact CA-OD2 3.24Å; P147-D151 WeakPolarHBondContact CA-OD2 3.28Å; P147-D151 HydrophobicContact CB-CB 3.91Å; P147-D151 WeakPolarHBondContact CB-OD2 3.2Å; G148-D151 PolarHBondContact N-OD2 3.2Å; G148-D151 WeakPolarHBondContact O-CB 3.4Å; G148-D151 PolarHBondContact O-N 2.73Å; G148-D151 VanDerWaalsContact O-N 3.07Å; D151-I153 PolarHBondContact O-N 2.79Å; D151-G154 CarbonylContact O-C 3.59Å; D151-G154 PolarHBondContact O-N 3.25Å; D151-M155 WeakPolarHBondContact O-CB 3.03Å; D151-M155 WeakPolarHBondContact O-CG 3.02Å; D151-M155 PolarHBondContact O-N 2.88Å; D151-I608 HydrophobicContact CB-CG2 3.93Å |
| 152 | V | 68.5 | Low | 66.4 | Low | 12 Ų | 12 | 21.7 Ų | 21.7 | 7% | 0.073 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | -178.1 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | D149 M155 A156 I198 F605 I608 K609 | D149-V152 PolarHBondContact O-N 3.3Å; V152-M155 WeakPolarHBondContact O-CB 3.02Å; V152-M155 PolarHBondContact O-N 3.16Å; V152-A156 PolarHBondContact O-N 3.13Å; V152-A156 VanDerWaalsContact O-N 3.09Å; V152-I198 HydrophobicContact CG1-CD1 4.44Å; V152-F605 HydrophobicContact CG1-CE2 3.69Å; V152-F605 HydrophobicContact CG1-CZ 4.23Å; V152-I608 HydrophobicContact CG2-CG2 4.34Å; V152-K609 HydrophobicContact CG1-CB 4.36Å; V152-K609 HydrophobicContact CG2-CB 4.25Å |
| 153 | I | 74.8 | Confident | 68.9 | Low | 68 Ų | 68 | 21.2 Ų | 21.2 | 35% | 0.349 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 172.9 | -68.2 | 165.1 | 0 | 0 | 0 | 111 | D149 D151 M155 A156 V157 I198 | D149-I153 WeakPolarHBondContact O-CG1 3.31Å; D149-I153 PolarHBondContact O-N 2.68Å; D151-I153 PolarHBondContact O-N 2.79Å; I153-M155 VanDerWaalsContact C-N 3.3Å; I153-M155 PolarHBondContact O-N 3.34Å; I153-A156 PolarHBondContact O-N 2.86Å; I153-V157 VanDerWaalsContact O-CG2 3.32Å; I153-V157 WeakPolarHBondContact O-CG2 3.44Å; I153-V157 PolarHBondContact O-N 3.01Å; I153-V157 VanDerWaalsContact O-N 3.1Å; I153-I198 HydrophobicContact CG1-CD1 4.39Å; I153-I198 HydrophobicContact CG1-CG1 4.28Å; I153-I198 HydrophobicContact CG2-CG2 4.11Å |
| 154 | G | 67 | Low | 70.9 | Confident | 6 Ų | 6 | 20 Ų | 20 | 6% | 0.062 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.4 | -34.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E150 D151 G158 | E150-G154 PolarHBondContact O-N 2.98Å; D151-G154 CarbonylContact O-C 3.59Å; D151-G154 PolarHBondContact O-N 3.25Å; G154-G158 PolarHBondContact O-N 3.25Å |
| 155 | M | 74.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66 | -52.3 | 174.5 | -79 | 172.5 | 123.8 | 0 | 0 | 112.9 | F27 D151 V152 I153 V157 G158 L159 A604 F605 I608 | F27-M155 HydrophobicContact CB-CE 3.92Å; F27-M155 HydrophobicContact CB-CG 3.41Å; F27-M155 VanDerWaalsContact CB-CG 3.41Å; F27-M155 HydrophobicContact CB-SD 4.42Å; F27-M155 HydrophobicContact CD1-CB 4.48Å; F27-M155 HydrophobicContact CD1-CG 4.13Å; F27-M155 HydrophobicContact CD2-CE 3.5Å; F27-M155 HydrophobicContact CD2-CG 3.88Å; F27-M155 HydrophobicContact CE2-CE 4.27Å; F27-M155 HydrophobicContact CG-CB 4.36Å; F27-M155 HydrophobicContact CG-CE 4.05Å; F27-M155 HydrophobicContact CG-CG 3.59Å; D151-M155 WeakPolarHBondContact O-CB 3.03Å; D151-M155 WeakPolarHBondContact O-CG 3.02Å; D151-M155 PolarHBondContact O-N 2.88Å; V152-M155 WeakPolarHBondContact O-CB 3.02Å; V152-M155 PolarHBondContact O-N 3.16Å; I153-M155 VanDerWaalsContact C-N 3.3Å; I153-M155 PolarHBondContact O-N 3.34Å; M155-V157 VanDerWaalsContact C-N 3.26Å; M155-V157 PolarHBondContact O-N 3.14Å; M155-G158 CarbonylContact O-C 3.22Å; M155-G158 WeakPolarHBondContact O-CA 3.37Å; M155-G158 PolarHBondContact O-N 2.89Å; M155-L159 WeakPolarHBondContact O-CG 3.48Å; M155-L159 PolarHBondContact O-N 3.29Å; M155-A604 HydrophobicContact CE-CB 3.66Å; M155-A604 WeakPolarHBondContact CE-O 2.99Å; M155-F605 HydrophobicContact CB-CD2 3.71Å; M155-F605 HydrophobicContact CB-CE2 4.25Å; M155-F605 VanDerWaalsContact CE-CA 3.46Å; M155-F605 HydrophobicContact CE-CB 4.34Å; M155-F605 HydrophobicContact CG-CD2 4.45Å; M155-F605 HydrophobicContact SD-CB 4.5Å; M155-F605 HydrophobicContact SD-CD2 4.05Å; M155-I608 HydrophobicContact CE-CB 3.97Å; M155-I608 HydrophobicContact CE-CD1 3.39Å; M155-I608 HydrophobicContact CE-CG1 4.23Å; M155-I608 HydrophobicContact CE-CG2 4.23Å; M155-I608 HydrophobicContact SD-CB 3.81Å; M155-I608 HydrophobicContact SD-CD1 4.11Å; M155-I608 HydrophobicContact SD-CG2 3.47Å; M155-I608 WeakPolarHBondContact SD-CG2 3.43Å |
| 156 | A | 79.4 | Confident | 74.5 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.5 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V152 I153 G158 L159 M160 I195 I198 | V152-A156 PolarHBondContact O-N 3.13Å; V152-A156 VanDerWaalsContact O-N 3.09Å; I153-A156 PolarHBondContact O-N 2.86Å; A156-G158 PolarHBondContact O-N 3.02Å; A156-L159 PolarHBondContact O-N 3.43Å; A156-M160 HydrophobicContact CB-CE 4.45Å; A156-M160 WeakPolarHBondContact O-CB 3.37Å; A156-M160 WeakPolarHBondContact O-CE 3.29Å; A156-M160 VanDerWaalsContact O-CG 3.3Å; A156-M160 WeakPolarHBondContact O-CG 3.23Å; A156-M160 PolarHBondContact O-N 3.3Å; A156-I195 HydrophobicContact CB-CB 4.48Å; A156-I195 HydrophobicContact CB-CG1 4.25Å; A156-I195 HydrophobicContact CB-CG2 4.23Å; A156-I198 HydrophobicContact CB-CB 4.07Å; A156-I198 HydrophobicContact CB-CD1 3.61Å; A156-I198 HydrophobicContact CB-CG1 4.45Å; A156-I198 HydrophobicContact CB-CG2 3.86Å |
| 157 | V | 78.5 | Confident | 76.1 | Confident | 34 Ų | 34 | 26.8 Ų | 26.8 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 173.3 | 172.8 | 0 | 0 | 0 | 0 | 112.6 | I153 M155 M160 R161 K202 | I153-V157 VanDerWaalsContact O-CG2 3.32Å; I153-V157 WeakPolarHBondContact O-CG2 3.44Å; I153-V157 PolarHBondContact O-N 3.01Å; I153-V157 VanDerWaalsContact O-N 3.1Å; M155-V157 VanDerWaalsContact C-N 3.26Å; M155-V157 PolarHBondContact O-N 3.14Å; V157-M160 HydrophobicContact CG2-CE 4.06Å; V157-R161 WeakPolarHBondContact O-CB 2.95Å; V157-R161 PolarHBondContact O-N 2.94Å; V157-K202 HydrophobicContact CG2-CD 3.67Å; V157-K202 VanDerWaalsContact CG2-CE 3.44Å |
| 158 | G | 75.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G154 M155 A156 R161 L162 | G154-G158 PolarHBondContact O-N 3.25Å; M155-G158 CarbonylContact O-C 3.22Å; M155-G158 WeakPolarHBondContact O-CA 3.37Å; M155-G158 PolarHBondContact O-N 2.89Å; A156-G158 PolarHBondContact O-N 3.02Å; G158-R161 PolarHBondContact O-N 2.99Å; G158-L162 WeakPolarHBondContact O-CG 3.37Å; G158-L162 PolarHBondContact O-N 2.76Å |
| 159 | L | 83.2 | Confident | 79 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -48.7 | 173.6 | -71.3 | 170.9 | 0 | 0 | 0 | 110.9 | F27 M155 A156 R161 L162 Q163 M173 I195 P601 I602 | F27-L159 HydrophobicContact CE1-CG 4.42Å; F27-L159 HydrophobicContact CZ-CD2 3.86Å; F27-L159 HydrophobicContact CZ-CG 3.93Å; M155-L159 WeakPolarHBondContact O-CG 3.48Å; M155-L159 PolarHBondContact O-N 3.29Å; A156-L159 PolarHBondContact O-N 3.43Å; L159-R161 PolarHBondContact O-N 3.2Å; L159-L162 PolarHBondContact O-N 3.31Å; L159-Q163 WeakPolarHBondContact O-CB 3.41Å; L159-Q163 PolarHBondContact O-N 2.85Å; L159-M173 HydrophobicContact CB-CE 4.01Å; L159-M173 HydrophobicContact CD2-CE 3.96Å; L159-I195 HydrophobicContact CD1-CD1 4.05Å; L159-P601 HydrophobicContact CD2-CB 3.69Å; L159-I602 HydrophobicContact CD1-CD1 4.47Å; L159-I602 HydrophobicContact CD2-CD1 4.03Å |
| 160 | M | 86.6 | Confident | 80.2 | Confident | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.9 | -42.2 | 175.2 | -70.6 | -175.2 | -72.4 | 0 | 0 | 112 | A156 V157 L162 Q163 D164 A199 H207 | A156-M160 HydrophobicContact CB-CE 4.45Å; A156-M160 WeakPolarHBondContact O-CB 3.37Å; A156-M160 WeakPolarHBondContact O-CE 3.29Å; A156-M160 VanDerWaalsContact O-CG 3.3Å; A156-M160 WeakPolarHBondContact O-CG 3.23Å; A156-M160 PolarHBondContact O-N 3.3Å; V157-M160 HydrophobicContact CG2-CE 4.06Å; M160-L162 PolarHBondContact O-N 3.26Å; M160-Q163 WeakPolarHBondContact O-CB 3.3Å; M160-Q163 PolarHBondContact O-N 3.42Å; M160-D164 WeakPolarHBondContact O-CB 3.43Å; M160-D164 PolarHBondContact O-N 3.12Å; M160-A199 HydrophobicContact CE-CB 4.26Å; M160-A199 HydrophobicContact SD-CB 3.69Å; M160-H207 HydrophobicContact CG-CB 3.94Å; M160-H207 HydrophobicContact SD-CB 3.32Å; M160-H207 WeakPolarHBondContact SD-CB 3.42Å; M160-H207 VanDerWaalsContact SD-CG 3.57Å |
| 161 | R | 83.2 | Confident | 81.5 | Confident | 39 Ų | 39 | 28.9 Ų | 28.9 | 15% | 0.147 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.1 | -175.7 | -176.3 | -60.9 | 98 | 13 | 112.7 | V157 G158 L159 D164 V165 I398 G441 H443 P522 | V157-R161 WeakPolarHBondContact O-CB 2.95Å; V157-R161 PolarHBondContact O-N 2.94Å; G158-R161 PolarHBondContact O-N 2.99Å; L159-R161 PolarHBondContact O-N 3.2Å; R161-D164 WeakPolarHBondContact O-CB 3.2Å; R161-D164 PolarHBondContact O-N 3.05Å; R161-V165 HydrophobicContact CG-CG2 4.21Å; R161-V165 WeakPolarHBondContact O-CG2 3.04Å; R161-V165 PolarHBondContact O-N 2.88Å; R161-I398 VanDerWaalsContact NH2-CD1 3.33Å; R161-G441 PolarHBondContact NH1-O 3.01Å; R161-H443 PolarHBondContact NE-CE1 3.06Å; R161-H443 PolarHBondContact NE-ND1 3.37Å; R161-H443 PolarHBondContact NE-NE2 3.09Å; R161-H443 PolarHBondContact NH2-CE1 3.16Å; R161-P522 HydrophobicContact CG-CG 4.35Å |
| 162 | L | 85.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.4 | -40.6 | 177.8 | -70.8 | 174.4 | 0 | 0 | 0 | 111.6 | G158 L159 M160 D164 Y166 L168 I440 P522 L524 | G158-L162 WeakPolarHBondContact O-CG 3.37Å; G158-L162 PolarHBondContact O-N 2.76Å; L159-L162 PolarHBondContact O-N 3.31Å; M160-L162 PolarHBondContact O-N 3.26Å; L162-D164 VanDerWaalsContact C-N 3.29Å; L162-D164 PolarHBondContact O-N 3.35Å; L162-Y166 HydrophobicContact CD2-CD2 3.84Å; L162-Y166 HydrophobicContact CD2-CE2 3.9Å; L162-Y166 WeakPolarHBondContact O-CB 3.46Å; L162-Y166 PolarHBondContact O-N 3.47Å; L162-Y166 VanDerWaalsContact O-N 3.12Å; L162-L168 HydrophobicContact CB-CD1 4.21Å; L162-I440 HydrophobicContact CD1-CG2 3.47Å; L162-I440 VanDerWaalsContact CD1-CG2 3.47Å; L162-P522 HydrophobicContact CD2-CB 3.89Å; L162-L524 HydrophobicContact CD1-CD1 4.45Å; L162-L524 HydrophobicContact CD2-CB 4.44Å; L162-L524 HydrophobicContact CD2-CD1 4.05Å |
| 163 | Q | 88.7 | Confident | 83.6 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.3 | -47.8 | 171.7 | -175.5 | 167.2 | 18 | 0 | 0 | 111.1 | L159 M160 K167 L168 T170 M173 H207 | L159-Q163 WeakPolarHBondContact O-CB 3.41Å; L159-Q163 PolarHBondContact O-N 2.85Å; M160-Q163 WeakPolarHBondContact O-CB 3.3Å; M160-Q163 PolarHBondContact O-N 3.42Å; Q163-K167 CarbonylContact O-C 3.57Å; Q163-K167 WeakPolarHBondContact O-CA 3.48Å; Q163-K167 PolarHBondContact O-N 2.84Å; Q163-L168 PolarHBondContact O-N 3.14Å; Q163-T170 PolarHBondContact NE2-OG1 3.46Å; Q163-M173 HydrophobicContact CB-CE 4.24Å; Q163-M173 HydrophobicContact CB-SD 3.84Å; Q163-M173 HydrophobicContact CG-SD 4.07Å; Q163-H207 PolarHBondContact OE1-CD2 3.3Å |
| 164 | D | 86.3 | Confident | 84.2 | Confident | 24 Ų | 24 | 27.8 Ų | 27.8 | 13% | 0.128 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -64.6 | 176.9 | -109.6 | 3.7 | 0 | 0 | 0 | 113.4 | M160 R161 L162 Y166 K167 H207 R298 R307 | M160-D164 WeakPolarHBondContact O-CB 3.43Å; M160-D164 PolarHBondContact O-N 3.12Å; R161-D164 WeakPolarHBondContact O-CB 3.2Å; R161-D164 PolarHBondContact O-N 3.05Å; L162-D164 VanDerWaalsContact C-N 3.29Å; L162-D164 PolarHBondContact O-N 3.35Å; D164-Y166 PolarHBondContact O-N 3.06Å; D164-K167 PolarHBondContact O-N 3.49Å; D164-H207 IonicContact OD1-CE1 2.91Å; D164-H207 IonicContact OD1-NE2 2.73Å; D164-R298 VanDerWaalsContact CB-NH2 3.25Å; D164-R298 VanDerWaalsContact CG-CZ 3.47Å; D164-R298 IonicContact OD1-CZ 3.87Å; D164-R298 IonicContact OD1-NE 3.07Å; D164-R298 PolarHBondContact OD1-NE 2.94Å; D164-R298 IonicContact OD1-NH2 2.67Å; D164-R298 PolarHBondContact OD1-NH2 3.45Å; D164-R298 IonicContact OD2-CZ 2.67Å; D164-R298 VanDerWaalsContact OD2-CZ 3.27Å; D164-R298 IonicContact OD2-NE 2.91Å; D164-R298 PolarHBondContact OD2-NE 2.63Å; D164-R298 IonicContact OD2-NH2 4Å; D164-R298 PolarHBondContact OD2-NH2 2.9Å; D164-R307 IonicContact OD2-NH2 2.65Å; D164-R307 PolarHBondContact OD2-NH2 3.29Å |
| 165 | V | 85.1 | Confident | 85.1 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 5% | 0.048 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.4 | -37.8 | -168.4 | 175 | 0 | 0 | 0 | 0 | 111.7 | R161 E311 C314 R315 P522 | R161-V165 HydrophobicContact CG-CG2 4.21Å; R161-V165 WeakPolarHBondContact O-CG2 3.04Å; R161-V165 PolarHBondContact O-N 2.88Å; V165-E311 HydrophobicContact CG1-CG 4.46Å; V165-E311 HydrophobicContact CG2-CG 4.29Å; V165-C314 HydrophobicContact CG1-CB 4.18Å; V165-R315 WeakPolarHBondContact O-CD 3.43Å; V165-R315 PolarHBondContact O-NH1 2.93Å; V165-P522 HydrophobicContact CB-CG 4.34Å; V165-P522 HydrophobicContact CG1-CG 4.21Å; V165-P522 HydrophobicContact CG2-CG 4.13Å |
| 166 | Y | 87.5 | Confident | 85.1 | Confident | 39 Ų | 39 | 29.2 Ų | 29.2 | 15% | 0.153 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -98.4 | 0.4 | -178.6 | -66.4 | -67.3 | 0 | 0 | 0 | 114.4 | L162 D164 C314 R315 G481 P522 L524 | L162-Y166 HydrophobicContact CD2-CD2 3.84Å; L162-Y166 HydrophobicContact CD2-CE2 3.9Å; L162-Y166 WeakPolarHBondContact O-CB 3.46Å; L162-Y166 PolarHBondContact O-N 3.47Å; L162-Y166 VanDerWaalsContact O-N 3.12Å; D164-Y166 PolarHBondContact O-N 3.06Å; Y166-C314 WeakPolarHBondContact CE1-O 3.07Å; Y166-R315 HydrophobicContact CD1-CG 4.35Å; Y166-G481 VanDerWaalsContact OH-CA 3.3Å; Y166-G481 WeakPolarHBondContact OH-CA 3.5Å; Y166-P522 HydrophobicContact CE2-CB 4.27Å; Y166-P522 PolarHBondContact OH-O 3.28Å; Y166-P522 VanDerWaalsContact OH-O 3.12Å; Y166-L524 HydrophobicContact CD1-CD2 4.4Å; Y166-L524 HydrophobicContact CD2-CB 4.22Å; Y166-L524 HydrophobicContact CD2-CD1 3.98Å; Y166-L524 HydrophobicContact CD2-CD2 4.25Å; Y166-L524 HydrophobicContact CD2-CG 4.39Å; Y166-L524 HydrophobicContact CE2-CB 3.93Å; Y166-L524 HydrophobicContact CG-CD1 4.46Å; Y166-L524 HydrophobicContact CG-CD2 4.18Å |
| 167 | K | 87.7 | Confident | 85.2 | Confident | 139 Ų | 139 | 35.2 Ų | 35.2 | 60% | 0.604 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 51.2 | 177.5 | -57.2 | 170.8 | -177.4 | 164.8 | 0 | 112.3 | Q163 D164 | Q163-K167 CarbonylContact O-C 3.57Å; Q163-K167 WeakPolarHBondContact O-CA 3.48Å; Q163-K167 PolarHBondContact O-N 2.84Å; D164-K167 PolarHBondContact O-N 3.49Å |
| 168 | L | 87.3 | Confident | 84.9 | Confident | 33 Ų | 33 | 33.9 Ų | 33.9 | 17% | 0.173 | 16% | 0.156 | C | C | . | . | trans | -81.6 | 159.5 | -179.8 | -47.4 | 176.8 | 0 | 0 | 0 | 111.8 | L162 Q163 M173 I178 L524 | L162-L168 HydrophobicContact CB-CD1 4.21Å; Q163-L168 PolarHBondContact O-N 3.14Å; L168-M173 HydrophobicContact CB-CG 4.21Å; L168-M173 HydrophobicContact CB-SD 3.68Å; L168-M173 HydrophobicContact CD1-CG 4.4Å; L168-M173 HydrophobicContact CD1-SD 3.93Å; L168-M173 HydrophobicContact CG-SD 4.45Å; L168-I178 HydrophobicContact CD1-CG2 4.34Å; L168-L524 HydrophobicContact CD1-CD1 4.25Å | ||
| 169 | N | 89.2 | Confident | 84.6 | Confident | 83 Ų | 83 | 42.1 Ų | 42.1 | 44% | 0.444 | 19% | 0.192 | S | C | . | . | trans | -97 | 135 | 178.1 | 177.1 | -69.8 | 0 | 0 | 0 | 110.9 | H171 D172 M173 | N169-H171 PolarHBondContact O-N 3.38Å; N169-H171 WeakPolarHBondContact OD1-CA 3.45Å; N169-H171 WeakPolarHBondContact OD1-CB 3.48Å; N169-H171 PolarHBondContact OD1-N 2.96Å; N169-D172 HydrophobicContact CB-CB 4.07Å; N169-D172 WeakPolarHBondContact CB-OD2 3.36Å; N169-D172 PolarHBondContact O-N 3.24Å; N169-D172 PolarHBondContact OD1-N 3.38Å; N169-D172 VanDerWaalsContact OD1-N 3.07Å; N169-M173 WeakPolarHBondContact O-CG 3.48Å; N169-M173 PolarHBondContact O-N 3.37Å | ||
| 170 | T | 90.5 | Very high | 83.6 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | -177.1 | -35.5 | 0 | 0 | 0 | 0 | 113 | Q163 M173 A174 L210 W211 E214 | Q163-T170 PolarHBondContact NE2-OG1 3.46Å; T170-M173 WeakPolarHBondContact O-CB 3.37Å; T170-M173 PolarHBondContact O-N 3.2Å; T170-A174 WeakPolarHBondContact O-CB 3.3Å; T170-A174 PolarHBondContact O-N 3.32Å; T170-L210 HydrophobicContact CG2-CB 4.24Å; T170-W211 HydrophobicContact CG2-CD2 3.67Å; T170-W211 HydrophobicContact CG2-CE3 3.92Å; T170-W211 HydrophobicContact CG2-CG 4.15Å; T170-W211 HydrophobicContact CG2-CH2 4.15Å; T170-W211 HydrophobicContact CG2-CZ2 3.9Å; T170-W211 HydrophobicContact CG2-CZ3 4.14Å; T170-E214 HydrophobicContact CG2-CB 4.41Å |
| 171 | H | 90.4 | Very high | 82.5 | Confident | 85 Ų | 85 | 46.6 Ų | 46.6 | 39% | 0.394 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.1 | -39.8 | -178.4 | -179.9 | 66 | 0 | 0 | 0 | 111.5 | N169 M173 A174 E175 E214 | N169-H171 PolarHBondContact O-N 3.38Å; N169-H171 WeakPolarHBondContact OD1-CA 3.45Å; N169-H171 WeakPolarHBondContact OD1-CB 3.48Å; N169-H171 PolarHBondContact OD1-N 2.96Å; H171-M173 VanDerWaalsContact C-N 3.29Å; H171-M173 PolarHBondContact O-N 3.48Å; H171-A174 PolarHBondContact O-N 3.35Å; H171-E175 VanDerWaalsContact O-CB 3.27Å; H171-E175 WeakPolarHBondContact O-CB 3.41Å; H171-E175 WeakPolarHBondContact O-CG 3.42Å; H171-E175 PolarHBondContact O-N 3.26Å; H171-E214 VanDerWaalsContact CA-OE2 3.29Å; H171-E214 WeakPolarHBondContact CA-OE2 3.18Å; H171-E214 WeakPolarHBondContact CB-OE2 3.24Å; H171-E214 IonicContact CE1-OE1 2.85Å; H171-E214 IonicContact CG-OE2 3.94Å; H171-E214 IonicContact ND1-OE1 3.86Å; H171-E214 PolarHBondContact ND1-OE1 3.41Å; H171-E214 IonicContact ND1-OE2 2.76Å; H171-E214 PolarHBondContact ND1-OE2 3.04Å |
| 172 | D | 87.2 | Confident | 81.3 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 171.7 | -66.4 | -25.8 | 0 | 0 | 0 | 111.1 | N169 E175 G176 R177 | N169-D172 HydrophobicContact CB-CB 4.07Å; N169-D172 WeakPolarHBondContact CB-OD2 3.36Å; N169-D172 PolarHBondContact O-N 3.24Å; N169-D172 PolarHBondContact OD1-N 3.38Å; N169-D172 VanDerWaalsContact OD1-N 3.07Å; D172-E175 PolarHBondContact O-N 3.34Å; D172-G176 PolarHBondContact O-N 3.49Å; D172-R177 HydrophobicContact CB-CB 4.42Å; D172-R177 WeakPolarHBondContact O-CA 3.31Å; D172-R177 WeakPolarHBondContact O-CB 3.49Å; D172-R177 PolarHBondContact O-N 2.75Å; D172-R177 IonicContact OD1-CZ 3.54Å; D172-R177 IonicContact OD1-NH1 3.61Å; D172-R177 PolarHBondContact OD1-NH1 3.28Å; D172-R177 IonicContact OD1-NH2 3.98Å; D172-R177 PolarHBondContact OD1-NH2 3.23Å |
| 173 | M | 88 | Confident | 80.2 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 174.3 | -70.7 | 173.8 | 67.4 | 0 | 0 | 112.8 | L159 Q163 L168 N169 T170 H171 E175 G176 I178 W211 I602 | L159-M173 HydrophobicContact CB-CE 4.01Å; L159-M173 HydrophobicContact CD2-CE 3.96Å; Q163-M173 HydrophobicContact CB-CE 4.24Å; Q163-M173 HydrophobicContact CB-SD 3.84Å; Q163-M173 HydrophobicContact CG-SD 4.07Å; L168-M173 HydrophobicContact CB-CG 4.21Å; L168-M173 HydrophobicContact CB-SD 3.68Å; L168-M173 HydrophobicContact CD1-CG 4.4Å; L168-M173 HydrophobicContact CD1-SD 3.93Å; L168-M173 HydrophobicContact CG-SD 4.45Å; N169-M173 WeakPolarHBondContact O-CG 3.48Å; N169-M173 PolarHBondContact O-N 3.37Å; T170-M173 WeakPolarHBondContact O-CB 3.37Å; T170-M173 PolarHBondContact O-N 3.2Å; H171-M173 VanDerWaalsContact C-N 3.29Å; H171-M173 PolarHBondContact O-N 3.48Å; M173-E175 PolarHBondContact O-N 3.33Å; M173-G176 PolarHBondContact O-N 3.23Å; M173-I178 HydrophobicContact CG-CD1 4.24Å; M173-I178 HydrophobicContact CG-CG1 4.06Å; M173-W211 HydrophobicContact CB-CH2 4.03Å; M173-W211 HydrophobicContact CB-CZ2 4.39Å; M173-W211 HydrophobicContact CE-CH2 4.49Å; M173-W211 HydrophobicContact CE-CZ2 4Å; M173-W211 HydrophobicContact SD-CZ2 4.46Å; M173-I602 VanDerWaalsContact O-CD1 3.3Å; M173-I602 WeakPolarHBondContact O-CD1 3.36Å; M173-I602 VanDerWaalsContact O-CG1 3.29Å; M173-I602 WeakPolarHBondContact O-CG1 3.47Å |
| 174 | A | 87.1 | Confident | 79 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.1 | -24.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T170 H171 G176 K186 L187 W211 E214 | T170-A174 WeakPolarHBondContact O-CB 3.3Å; T170-A174 PolarHBondContact O-N 3.32Å; H171-A174 PolarHBondContact O-N 3.35Å; A174-G176 VanDerWaalsContact C-N 3.33Å; A174-K186 WeakPolarHBondContact O-CA 3.42Å; A174-L187 PolarHBondContact O-N 3.38Å; A174-W211 HydrophobicContact CB-CZ3 4.22Å; A174-E214 HydrophobicContact CB-CG 3.67Å; A174-E214 WeakPolarHBondContact CB-OE1 3.26Å |
| 175 | E | 85.8 | Confident | 78.2 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 7.1 | 170.5 | -68.7 | -71.1 | 104.7 | 0 | 0 | 114 | H171 D172 M173 R177 K186 R218 | H171-E175 VanDerWaalsContact O-CB 3.27Å; H171-E175 WeakPolarHBondContact O-CB 3.41Å; H171-E175 WeakPolarHBondContact O-CG 3.42Å; H171-E175 PolarHBondContact O-N 3.26Å; D172-E175 PolarHBondContact O-N 3.34Å; M173-E175 PolarHBondContact O-N 3.33Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 HydrophobicContact CB-CG 4.5Å; E175-R177 PolarHBondContact O-N 2.9Å; E175-K186 WeakPolarHBondContact OE1-CD 3.48Å; E175-K186 IonicContact OE1-NZ 3.68Å; E175-K186 PolarHBondContact OE1-NZ 2.67Å; E175-K186 VanDerWaalsContact OE2-CE 3.23Å; E175-K186 WeakPolarHBondContact OE2-CE 3.41Å; E175-K186 IonicContact OE2-NZ 3.72Å; E175-K186 PolarHBondContact OE2-NZ 3.07Å; E175-R218 IonicContact OE1-CZ 3.81Å; E175-R218 IonicContact OE1-NH1 2.91Å; E175-R218 PolarHBondContact OE1-NH1 3.41Å; E175-R218 IonicContact OE1-NH2 3.73Å; E175-R218 PolarHBondContact OE1-NH2 3.38Å |
| 176 | G | 75.6 | Confident | 78.1 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -0.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D172 M173 A174 I178 N600 | D172-G176 PolarHBondContact O-N 3.49Å; M173-G176 PolarHBondContact O-N 3.23Å; A174-G176 VanDerWaalsContact C-N 3.33Å; G176-I178 PolarHBondContact O-N 2.91Å; G176-N600 PolarHBondContact O-ND2 2.76Å; G176-N600 VanDerWaalsContact O-ND2 3.1Å |
| 177 | R | 80.7 | Confident | 78 | Confident | 125 Ų | 125 | 62.2 Ų | 62.2 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | trans | -92.8 | 81.4 | -167.9 | -63.3 | -179.9 | -75.2 | 116 | 3.3 | 112 | D172 E175 | D172-R177 HydrophobicContact CB-CB 4.42Å; D172-R177 WeakPolarHBondContact O-CA 3.31Å; D172-R177 WeakPolarHBondContact O-CB 3.49Å; D172-R177 PolarHBondContact O-N 2.75Å; D172-R177 IonicContact OD1-CZ 3.54Å; D172-R177 IonicContact OD1-NH1 3.61Å; D172-R177 PolarHBondContact OD1-NH1 3.28Å; D172-R177 IonicContact OD1-NH2 3.98Å; D172-R177 PolarHBondContact OD1-NH2 3.23Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 HydrophobicContact CB-CG 4.5Å; E175-R177 PolarHBondContact O-N 2.9Å | ||
| 178 | I | 73.6 | Confident | 78 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | trans | -106.9 | 134.3 | -180 | -64.6 | 174.2 | 0 | 0 | 0 | 111.2 | L168 M173 G176 G180 T181 L524 P601 I602 | L168-I178 HydrophobicContact CD1-CG2 4.34Å; M173-I178 HydrophobicContact CG-CD1 4.24Å; M173-I178 HydrophobicContact CG-CG1 4.06Å; G176-I178 PolarHBondContact O-N 2.91Å; I178-G180 PolarHBondContact O-N 3.2Å; I178-T181 PolarHBondContact O-N 2.88Å; I178-T181 PolarHBondContact O-OG1 2.73Å; I178-L524 HydrophobicContact CG2-CD1 3.97Å; I178-P601 HydrophobicContact CD1-CB 3.77Å; I178-P601 HydrophobicContact CD1-CG 3.65Å; I178-I602 HydrophobicContact CD1-CD1 4.17Å; I178-I602 HydrophobicContact CD1-CG1 4.15Å | ||
| 179 | K | 68.9 | Low | 78.2 | Confident | 173 Ų | 173 | 55 Ų | 55 | 75% | 0.752 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 103.9 | -171.7 | -174 | -178.6 | -178.4 | -179.7 | 0 | 112.7 | ||
| 180 | G | 61.8 | Low | 78.1 | Confident | 67 Ų | 67 | 54 Ų | 54 | 69% | 0.691 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.4 | -9.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I178 | I178-G180 PolarHBondContact O-N 3.2Š|
| 181 | T | 63.2 | Low | 78 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 23% | 0.233 | 29% | 0.286 | C | S | . | . | trans | -129.3 | 150.5 | -179.2 | 66 | 0 | 0 | 0 | 0 | 111.2 | I178 A525 N600 | I178-T181 PolarHBondContact O-N 2.88Å; I178-T181 PolarHBondContact O-OG1 2.73Å; T181-A525 HydrophobicContact CG2-CB 4.39Å; T181-N600 PolarHBondContact OG1-ND2 2.83Å | ||
| 182 | S | 57.1 | Low | 78.1 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 70% | 0.699 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -113.6 | -23.1 | -175.2 | 36.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 183 | D | 63.2 | Low | 78.4 | Confident | 123 Ų | 123 | 47 Ų | 47 | 66% | 0.658 | 25% | 0.253 | S | S | * | . | trans | -126.5 | 52.6 | -159.6 | -54.2 | -85.1 | 0 | 0 | 0 | 113.4 | N603 | D183-N603 PolarHBondContact O-ND2 3.31Š| ||
| 184 | G | 62.6 | Low | 78.4 | Confident | 22 Ų | 22 | 49 Ų | 49 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 141.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N600 | G184-N600 WeakPolarHBondContact CA-ND2 3.46Š|
| 185 | H | 70.4 | Confident | 78.6 | Confident | 78 Ų | 78 | 49 Ų | 49 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 156.9 | 163.8 | -78.8 | -107.3 | 0 | 0 | 0 | 110.4 | H597 I602 N603 | H185-H597 AromaticContact CD2-CE1 3.49Å; H185-H597 PolarHBondContact CD2-CE1 2.99Å; H185-H597 VanDerWaalsContact CD2-CE1 3.49Å; H185-H597 AromaticContact CD2-ND1 3.51Å; H185-H597 AromaticContact NE2-CE1 3.51Å; H185-H597 AromaticContact NE2-ND1 3.6Å; H185-I602 WeakPolarHBondContact O-CG2 3.4Å; H185-N603 VanDerWaalsContact CB-OD1 3.3Å; H185-N603 WeakPolarHBondContact CB-OD1 3.42Å; H185-N603 PolarHBondContact CD2-OD1 2.85Å; H185-N603 VanDerWaalsContact CD2-OD1 3.27Å; H185-N603 PolarHBondContact N-OD1 2.85Å |
| 186 | K | 83 | Confident | 78.9 | Confident | 120 Ų | 120 | 47.3 Ų | 47.3 | 52% | 0.522 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 142.6 | 167.8 | -58.9 | -177.1 | 175.6 | -127.6 | 0 | 110.8 | A174 E175 R606 | A174-K186 WeakPolarHBondContact O-CA 3.42Å; E175-K186 WeakPolarHBondContact OE1-CD 3.48Å; E175-K186 IonicContact OE1-NZ 3.68Å; E175-K186 PolarHBondContact OE1-NZ 2.67Å; E175-K186 VanDerWaalsContact OE2-CE 3.23Å; E175-K186 WeakPolarHBondContact OE2-CE 3.41Å; E175-K186 IonicContact OE2-NZ 3.72Å; E175-K186 PolarHBondContact OE2-NZ 3.07Å; K186-R606 PolarHBondContact O-NH1 3.06Å |
| 187 | L | 85.7 | Confident | 79.7 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 149.3 | 165.2 | -67.2 | -177.4 | 0 | 0 | 0 | 111.1 | A174 E191 I195 W211 R218 I602 F605 | A174-L187 PolarHBondContact O-N 3.38Å; L187-E191 WeakPolarHBondContact CA-OE2 3.45Å; L187-E191 HydrophobicContact CB-CB 4.08Å; L187-E191 HydrophobicContact CD2-CB 3.89Å; L187-E191 HydrophobicContact CD2-CG 4.48Å; L187-E191 HydrophobicContact CG-CB 4.41Å; L187-I195 HydrophobicContact CD1-CD1 3.87Å; L187-W211 HydrophobicContact CD1-CH2 4.43Å; L187-W211 HydrophobicContact CD1-CZ3 3.89Å; L187-R218 PolarHBondContact O-NH1 3.3Å; L187-I602 HydrophobicContact CD1-CG2 4.35Å; L187-I602 HydrophobicContact CD2-CG2 3.4Å; L187-I602 VanDerWaalsContact CD2-CG2 3.4Å; L187-I602 HydrophobicContact CG-CG2 3.59Å; L187-F605 HydrophobicContact CD2-CD1 4.09Å |
| 188 | T | 87.6 | Confident | 80 | Confident | 21 Ų | 21 | 44 Ų | 44 | 13% | 0.129 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 168.9 | 167.2 | 67.5 | 0 | 0 | 0 | 0 | 111.6 | E190 E191 C192 T226 | T188-E190 VanDerWaalsContact C-N 3.31Å; T188-E190 PolarHBondContact O-N 2.89Å; T188-E190 PolarHBondContact OG1-N 3.25Å; T188-E191 PolarHBondContact N-OE2 2.83Å; T188-E191 PolarHBondContact O-N 3.39Å; T188-E191 WeakPolarHBondContact OG1-CG 3.31Å; T188-E191 PolarHBondContact OG1-N 3.07Å; T188-C192 PolarHBondContact O-N 3.19Å; T188-C192 VanDerWaalsContact O-N 3.09Å; T188-C192 PolarHBondContact O-SG 3.11Å; T188-C192 VanDerWaalsContact O-SG 3.4Å; T188-T226 HydrophobicContact CG2-CG2 4.42Å; T188-T226 PolarHBondContact OG1-OG1 3.49Å |
| 189 | A | 89.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -51.5 | -46.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E191 C192 L193 R218 V219 E222 I227 | A189-E191 PolarHBondContact O-N 2.69Å; A189-C192 PolarHBondContact O-N 2.91Å; A189-L193 PolarHBondContact O-N 2.88Å; A189-R218 HydrophobicContact CB-CB 3.85Å; A189-V219 HydrophobicContact CB-CG2 3.58Å; A189-E222 WeakPolarHBondContact CB-OE2 3.35Å; A189-E222 PolarHBondContact N-OE1 3.44Å; A189-E222 PolarHBondContact N-OE2 3.29Å; A189-I227 HydrophobicContact CB-CD1 4.06Å; A189-I227 HydrophobicContact CB-CG1 3.87Å |
| 190 | E | 88.9 | Confident | 81.9 | Confident | 61 Ų | 61 | 37.9 Ų | 37.9 | 29% | 0.285 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.6 | -45 | 176.9 | -172.4 | -159.8 | 172.1 | 0 | 0 | 112.4 | T188 C192 L193 E194 T226 I227 K609 | T188-E190 VanDerWaalsContact C-N 3.31Å; T188-E190 PolarHBondContact O-N 2.89Å; T188-E190 PolarHBondContact OG1-N 3.25Å; E190-C192 VanDerWaalsContact C-N 3.34Å; E190-C192 PolarHBondContact O-N 2.71Å; E190-L193 PolarHBondContact O-N 2.77Å; E190-E194 PolarHBondContact O-N 2.78Å; E190-T226 WeakPolarHBondContact CB-OG1 3.43Å; E190-T226 PolarHBondContact N-OG1 2.84Å; E190-I227 HydrophobicContact CB-CG2 3.82Å; E190-I227 HydrophobicContact CG-CG2 3.8Å; E190-K609 IonicContact OE1-NZ 2.7Å; E190-K609 PolarHBondContact OE1-NZ 2.98Å; E190-K609 IonicContact OE2-NZ 2.91Å |
| 191 | E | 88.3 | Confident | 83.1 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 5% | 0.051 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -36.1 | -178.6 | -67.6 | 175.1 | 130.5 | 0 | 0 | 111.9 | L187 T188 A189 I195 F605 R606 | L187-E191 WeakPolarHBondContact CA-OE2 3.45Å; L187-E191 HydrophobicContact CB-CB 4.08Å; L187-E191 HydrophobicContact CD2-CB 3.89Å; L187-E191 HydrophobicContact CD2-CG 4.48Å; L187-E191 HydrophobicContact CG-CB 4.41Å; T188-E191 PolarHBondContact N-OE2 2.83Å; T188-E191 PolarHBondContact O-N 3.39Å; T188-E191 WeakPolarHBondContact OG1-CG 3.31Å; T188-E191 PolarHBondContact OG1-N 3.07Å; A189-E191 PolarHBondContact O-N 2.69Å; E191-I195 WeakPolarHBondContact O-CG1 3.29Å; E191-I195 PolarHBondContact O-N 3.19Å; E191-F605 HydrophobicContact CB-CE1 4.21Å; E191-R606 VanDerWaalsContact OE1-CB 3.28Å; E191-R606 WeakPolarHBondContact OE1-CB 3.49Å; E191-R606 WeakPolarHBondContact OE1-CD 3.37Å; E191-R606 WeakPolarHBondContact OE1-CG 3.28Å; E191-R606 IonicContact OE1-NE 2.89Å; E191-R606 IonicContact OE2-CZ 2.89Å; E191-R606 IonicContact OE2-NE 3.75Å; E191-R606 IonicContact OE2-NH1 3.38Å; E191-R606 PolarHBondContact OE2-NH1 2.77Å |
| 192 | C | 92.1 | Very high | 84 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68 | -40.9 | 172.1 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | T188 A189 E190 E194 I195 A196 W211 A215 | T188-C192 PolarHBondContact O-N 3.19Å; T188-C192 VanDerWaalsContact O-N 3.09Å; T188-C192 PolarHBondContact O-SG 3.11Å; T188-C192 VanDerWaalsContact O-SG 3.4Å; A189-C192 PolarHBondContact O-N 2.91Å; E190-C192 VanDerWaalsContact C-N 3.34Å; E190-C192 PolarHBondContact O-N 2.71Å; C192-E194 VanDerWaalsContact C-N 3.32Å; C192-E194 PolarHBondContact O-N 3.17Å; C192-I195 PolarHBondContact O-N 3.04Å; C192-A196 PolarHBondContact O-N 3.02Å; C192-W211 HydrophobicContact CB-CE3 4.36Å; C192-A215 HydrophobicContact CB-CB 3.81Å |
| 193 | L | 92.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.3 | -36.5 | 176.9 | -177.2 | 63.2 | 0 | 0 | 0 | 111.6 | A189 E190 I195 A196 R197 A215 I227 D231 A232 Y235 | A189-L193 PolarHBondContact O-N 2.88Å; E190-L193 PolarHBondContact O-N 2.77Å; L193-I195 PolarHBondContact O-N 2.63Å; L193-A196 HydrophobicContact CD1-CB 4.49Å; L193-A196 CarbonylContact O-C 3.47Å; L193-A196 WeakPolarHBondContact O-CA 3.46Å; L193-A196 WeakPolarHBondContact O-CB 3.32Å; L193-A196 PolarHBondContact O-N 3.13Å; L193-R197 HydrophobicContact CG-CG 4.24Å; L193-R197 WeakPolarHBondContact O-CG 3.3Å; L193-R197 PolarHBondContact O-N 3.43Å; L193-A215 HydrophobicContact CB-CB 3.94Å; L193-I227 HydrophobicContact CB-CD1 3.78Å; L193-I227 HydrophobicContact CD2-CD1 3.55Å; L193-I227 HydrophobicContact CD2-CG2 4.43Å; L193-I227 HydrophobicContact CG-CD1 4.26Å; L193-D231 HydrophobicContact CD2-CB 3.67Å; L193-A232 HydrophobicContact CD1-CB 4.44Å; L193-Y235 HydrophobicContact CD1-CD2 3.99Å; L193-Y235 HydrophobicContact CD1-CG 4.47Å |
| 194 | E | 89.4 | Confident | 86.6 | Confident | 45 Ų | 45 | 42.1 Ų | 42.1 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | -179.5 | -162.4 | 51.2 | -132 | 0 | 0 | 111.9 | E190 C192 A196 R197 I198 | E190-E194 PolarHBondContact O-N 2.78Å; C192-E194 VanDerWaalsContact C-N 3.32Å; C192-E194 PolarHBondContact O-N 3.17Å; E194-A196 VanDerWaalsContact C-N 3.26Å; E194-A196 PolarHBondContact O-N 3.28Å; E194-R197 PolarHBondContact O-N 2.93Å; E194-R197 WeakPolarHBondContact OE2-CD 3.36Å; E194-R197 IonicContact OE2-CZ 3.52Å; E194-R197 IonicContact OE2-NE 2.69Å; E194-R197 IonicContact OE2-NH1 2.6Å; E194-R197 PolarHBondContact OE2-NH1 2.79Å; E194-I198 HydrophobicContact CG-CD1 4.29Å; E194-I198 WeakPolarHBondContact O-CD1 3.33Å; E194-I198 VanDerWaalsContact O-CG1 3.26Å; E194-I198 WeakPolarHBondContact O-CG1 3.49Å; E194-I198 PolarHBondContact O-N 3.38Å |
| 195 | I | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 169.7 | -61.6 | 167.2 | 0 | 0 | 0 | 110.5 | A156 L159 L187 E191 C192 L193 I198 A199 W211 F605 | A156-I195 HydrophobicContact CB-CB 4.48Å; A156-I195 HydrophobicContact CB-CG1 4.25Å; A156-I195 HydrophobicContact CB-CG2 4.23Å; L159-I195 HydrophobicContact CD1-CD1 4.05Å; L187-I195 HydrophobicContact CD1-CD1 3.87Å; E191-I195 WeakPolarHBondContact O-CG1 3.29Å; E191-I195 PolarHBondContact O-N 3.19Å; C192-I195 PolarHBondContact O-N 3.04Å; L193-I195 PolarHBondContact O-N 2.63Å; I195-I198 PolarHBondContact O-N 3.27Å; I195-A199 WeakPolarHBondContact O-CB 3.33Å; I195-A199 PolarHBondContact O-N 3.1Å; I195-W211 HydrophobicContact CB-CB 4.4Å; I195-W211 HydrophobicContact CB-CD2 4.07Å; I195-W211 HydrophobicContact CB-CE3 4.22Å; I195-W211 HydrophobicContact CB-CG 4.15Å; I195-W211 HydrophobicContact CD1-CD2 4.28Å; I195-W211 HydrophobicContact CD1-CE3 3.85Å; I195-W211 HydrophobicContact CD1-CH2 4.04Å; I195-W211 HydrophobicContact CD1-CZ2 4.45Å; I195-W211 HydrophobicContact CD1-CZ3 3.73Å; I195-W211 HydrophobicContact CG2-CB 4.2Å; I195-W211 HydrophobicContact CG2-CD2 3.59Å; I195-W211 HydrophobicContact CG2-CE3 4.2Å; I195-W211 HydrophobicContact CG2-CG 3.56Å; I195-F605 HydrophobicContact CD1-CE1 4.1Å; I195-F605 HydrophobicContact CD1-CZ 4.32Å; I195-F605 HydrophobicContact CG1-CE1 4.03Å; I195-F605 HydrophobicContact CG1-CE2 4.47Å; I195-F605 HydrophobicContact CG1-CZ 3.79Å |
| 196 | A | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.2 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C192 L193 E194 A199 Y200 W211 A212 | C192-A196 PolarHBondContact O-N 3.02Å; L193-A196 HydrophobicContact CD1-CB 4.49Å; L193-A196 CarbonylContact O-C 3.47Å; L193-A196 WeakPolarHBondContact O-CA 3.46Å; L193-A196 WeakPolarHBondContact O-CB 3.32Å; L193-A196 PolarHBondContact O-N 3.13Å; E194-A196 VanDerWaalsContact C-N 3.26Å; E194-A196 PolarHBondContact O-N 3.28Å; A196-A199 PolarHBondContact O-N 3.07Å; A196-Y200 VanDerWaalsContact O-CB 3.31Å; A196-Y200 WeakPolarHBondContact O-CB 3.47Å; A196-Y200 PolarHBondContact O-N 3.24Å; A196-W211 HydrophobicContact CB-CB 3.75Å; A196-A212 HydrophobicContact CB-CB 3.78Å |
| 197 | R | 91.7 | Very high | 89.4 | Confident | 48 Ų | 48 | 35.8 Ų | 35.8 | 18% | 0.181 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 173.1 | -75.6 | 168.6 | 170 | 170.6 | 0.7 | 110.7 | L193 E194 Y200 N201 D231 Y235 | L193-R197 HydrophobicContact CG-CG 4.24Å; L193-R197 WeakPolarHBondContact O-CG 3.3Å; L193-R197 PolarHBondContact O-N 3.43Å; E194-R197 PolarHBondContact O-N 2.93Å; E194-R197 WeakPolarHBondContact OE2-CD 3.36Å; E194-R197 IonicContact OE2-CZ 3.52Å; E194-R197 IonicContact OE2-NE 2.69Å; E194-R197 IonicContact OE2-NH1 2.6Å; E194-R197 PolarHBondContact OE2-NH1 2.79Å; R197-Y200 PolarHBondContact O-N 3.1Å; R197-N201 WeakPolarHBondContact O-CB 3.27Å; R197-N201 PolarHBondContact O-N 3.23Å; R197-N201 PolarHBondContact O-ND2 3.1Å; R197-D231 IonicContact NH2-OD1 2.95Å; R197-D231 PolarHBondContact NH2-OD1 3.25Å; R197-Y235 HydrophobicContact CG-CD1 4.41Å; R197-Y235 HydrophobicContact CG-CD2 4.38Å; R197-Y235 HydrophobicContact CG-CE1 3.89Å; R197-Y235 HydrophobicContact CG-CE2 3.88Å |
| 198 | I | 87.6 | Confident | 89.8 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 175.9 | -64.9 | 160.1 | 0 | 0 | 0 | 111.2 | V152 I153 A156 E194 I195 K202 | V152-I198 HydrophobicContact CG1-CD1 4.44Å; I153-I198 HydrophobicContact CG1-CD1 4.39Å; I153-I198 HydrophobicContact CG1-CG1 4.28Å; I153-I198 HydrophobicContact CG2-CG2 4.11Å; A156-I198 HydrophobicContact CB-CB 4.07Å; A156-I198 HydrophobicContact CB-CD1 3.61Å; A156-I198 HydrophobicContact CB-CG1 4.45Å; A156-I198 HydrophobicContact CB-CG2 3.86Å; E194-I198 HydrophobicContact CG-CD1 4.29Å; E194-I198 WeakPolarHBondContact O-CD1 3.33Å; E194-I198 VanDerWaalsContact O-CG1 3.26Å; E194-I198 WeakPolarHBondContact O-CG1 3.49Å; E194-I198 PolarHBondContact O-N 3.38Å; I195-I198 PolarHBondContact O-N 3.27Å; I198-K202 HydrophobicContact CG2-CD 4.35Å; I198-K202 WeakPolarHBondContact O-CG 3.49Å; I198-K202 PolarHBondContact O-N 3.33Å |
| 199 | A | 89.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | M160 I195 A196 N201 K202 Q203 D204 H207 | M160-A199 HydrophobicContact CE-CB 4.26Å; M160-A199 HydrophobicContact SD-CB 3.69Å; I195-A199 WeakPolarHBondContact O-CB 3.33Å; I195-A199 PolarHBondContact O-N 3.1Å; A196-A199 PolarHBondContact O-N 3.07Å; A199-N201 PolarHBondContact O-N 3.32Å; A199-K202 CarbonylContact O-C 3.49Å; A199-K202 WeakPolarHBondContact O-CA 3.21Å; A199-K202 PolarHBondContact O-N 3.25Å; A199-K202 VanDerWaalsContact O-N 3.08Å; A199-Q203 PolarHBondContact O-N 3Å; A199-D204 HydrophobicContact CB-CB 4.38Å; A199-D204 PolarHBondContact O-N 3.39Å; A199-H207 HydrophobicContact CB-CB 3.98Å |
| 200 | Y | 91.5 | Very high | 90.3 | Very high | 51 Ų | 51 | 37.4 Ų | 37.4 | 20% | 0.2 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.5 | -46.6 | 178.6 | 175.1 | -80.8 | 0 | 0 | 0 | 111.7 | A196 R197 K202 Q203 F205 T208 Y235 Y238 | A196-Y200 VanDerWaalsContact O-CB 3.31Å; A196-Y200 WeakPolarHBondContact O-CB 3.47Å; A196-Y200 PolarHBondContact O-N 3.24Å; R197-Y200 PolarHBondContact O-N 3.1Å; Y200-K202 PolarHBondContact O-N 3.07Å; Y200-Q203 WeakPolarHBondContact O-CA 3.47Å; Y200-Q203 PolarHBondContact O-N 3.27Å; Y200-F205 HydrophobicContact CD2-CE1 4.2Å; Y200-T208 VanDerWaalsContact CA-OG1 3.3Å; Y200-T208 WeakPolarHBondContact CA-OG1 3.47Å; Y200-T208 HydrophobicContact CD2-CG2 4.29Å; Y200-T208 PolarHBondContact N-OG1 3.14Å; Y200-T208 VanDerWaalsContact N-OG1 3.07Å; Y200-Y235 HydrophobicContact CD1-CD1 4.1Å; Y200-Y235 AromaticContact CD1-CE1 3.86Å; Y200-Y235 HydrophobicContact CD1-CE1 3.86Å; Y200-Y235 AromaticContact CD2-CD1 3.56Å; Y200-Y235 HydrophobicContact CD2-CD1 3.56Å; Y200-Y235 HydrophobicContact CD2-CE1 4.14Å; Y200-Y235 HydrophobicContact CE1-CE1 4.23Å; Y200-Y235 HydrophobicContact CE2-CD1 4.03Å; Y200-Y235 HydrophobicContact CE2-CE1 4.44Å; Y200-Y235 AromaticContact CG-CD1 3.59Å; Y200-Y235 HydrophobicContact CG-CD1 3.59Å; Y200-Y235 AromaticContact CG-CE1 3.84Å; Y200-Y235 HydrophobicContact CG-CE1 3.84Å; Y200-Y238 HydrophobicContact CD2-CD1 4.08Å; Y200-Y238 AromaticContact CE2-CD1 3.23Å; Y200-Y238 HydrophobicContact CE2-CD1 3.23Å; Y200-Y238 AromaticContact CE2-CE1 3.69Å; Y200-Y238 HydrophobicContact CE2-CE1 3.69Å; Y200-Y238 AromaticContact CE2-CG 3.86Å; Y200-Y238 HydrophobicContact CE2-CG 3.86Å; Y200-Y238 AromaticContact CZ-CD1 3.88Å; Y200-Y238 AromaticContact CZ-CE1 3.92Å |
| 201 | N | 87.4 | Confident | 90.6 | Very high | 118 Ų | 118 | 34.5 Ų | 34.5 | 63% | 0.631 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -64.6 | -24.3 | 178.8 | -72.6 | -23.5 | 0 | 0 | 0 | 112.4 | R197 A199 Q203 | R197-N201 WeakPolarHBondContact O-CB 3.27Å; R197-N201 PolarHBondContact O-N 3.23Å; R197-N201 PolarHBondContact O-ND2 3.1Å; A199-N201 PolarHBondContact O-N 3.32Å; N201-Q203 VanDerWaalsContact C-N 3.34Å |
| 202 | K | 83 | Confident | 90.9 | Very high | 117 Ų | 117 | 34 Ų | 34 | 51% | 0.509 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.6 | 172.3 | -69.8 | 174.7 | -177 | -69.8 | 0 | 113.6 | V157 I198 A199 Y200 D204 | V157-K202 HydrophobicContact CG2-CD 3.67Å; V157-K202 VanDerWaalsContact CG2-CE 3.44Å; I198-K202 HydrophobicContact CG2-CD 4.35Å; I198-K202 WeakPolarHBondContact O-CG 3.49Å; I198-K202 PolarHBondContact O-N 3.33Å; A199-K202 CarbonylContact O-C 3.49Å; A199-K202 WeakPolarHBondContact O-CA 3.21Å; A199-K202 PolarHBondContact O-N 3.25Å; A199-K202 VanDerWaalsContact O-N 3.08Å; Y200-K202 PolarHBondContact O-N 3.07Å; K202-D204 PolarHBondContact O-N 3.38Å |
| 203 | Q | 86.2 | Confident | 90.9 | Very high | 149 Ų | 149 | 36.3 Ų | 36.3 | 70% | 0.696 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 19 | -174.4 | -51.5 | -173.9 | 25.3 | 0 | 0 | 114.1 | A199 Y200 N201 F205 | A199-Q203 PolarHBondContact O-N 3Å; Y200-Q203 WeakPolarHBondContact O-CA 3.47Å; Y200-Q203 PolarHBondContact O-N 3.27Å; N201-Q203 VanDerWaalsContact C-N 3.34Å; Q203-F205 HydrophobicContact CB-CE2 3.86Å; Q203-F205 HydrophobicContact CB-CZ 3.97Å; Q203-F205 HydrophobicContact CG-CZ 4.3Å; Q203-F205 VanDerWaalsContact O-CD2 3.23Å; Q203-F205 WeakPolarHBondContact O-CD2 3.46Å; Q203-F205 WeakPolarHBondContact O-CE2 3.44Å; Q203-F205 PolarHBondContact O-N 2.92Å |
| 204 | D | 88 | Confident | 91 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | trans | -81.8 | 75.1 | 173 | -167 | -27.3 | 0 | 0 | 0 | 109.6 | A199 K202 Y206 H207 T208 | A199-D204 HydrophobicContact CB-CB 4.38Å; A199-D204 PolarHBondContact O-N 3.39Å; K202-D204 PolarHBondContact O-N 3.38Å; D204-Y206 PolarHBondContact O-N 3.23Å; D204-Y206 VanDerWaalsContact O-N 3.17Å; D204-Y206 WeakPolarHBondContact OD1-CA 3.5Å; D204-Y206 WeakPolarHBondContact OD1-CB 3.45Å; D204-Y206 PolarHBondContact OD1-N 3.1Å; D204-Y206 VanDerWaalsContact OD1-N 3.12Å; D204-H207 VanDerWaalsContact CG-ND1 3.35Å; D204-H207 PolarHBondContact O-N 2.87Å; D204-H207 IonicContact OD1-CG 3.18Å; D204-H207 PolarHBondContact OD1-N 2.86Å; D204-H207 IonicContact OD1-ND1 3.63Å; D204-H207 PolarHBondContact OD1-ND1 3.2Å; D204-H207 IonicContact OD2-CE1 3.42Å; D204-H207 IonicContact OD2-CG 3.21Å; D204-H207 IonicContact OD2-ND1 2.77Å; D204-H207 PolarHBondContact OD2-ND1 3.47Å; D204-T208 WeakPolarHBondContact O-CB 3.47Å; D204-T208 PolarHBondContact O-N 2.87Å; D204-T208 PolarHBondContact O-OG1 2.98Å | ||
| 205 | F | 91.3 | Very high | 91.2 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 13% | 0.132 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.3 | -8.7 | 176.3 | -52.7 | -61.5 | 0 | 0 | 0 | 112.9 | Y200 Q203 L209 Y238 A239 K242 Q243 | Y200-F205 HydrophobicContact CD2-CE1 4.2Å; Q203-F205 HydrophobicContact CB-CE2 3.86Å; Q203-F205 HydrophobicContact CB-CZ 3.97Å; Q203-F205 HydrophobicContact CG-CZ 4.3Å; Q203-F205 VanDerWaalsContact O-CD2 3.23Å; Q203-F205 WeakPolarHBondContact O-CD2 3.46Å; Q203-F205 WeakPolarHBondContact O-CE2 3.44Å; Q203-F205 PolarHBondContact O-N 2.92Å; F205-L209 PolarHBondContact O-N 3.3Å; F205-Y238 AromaticContact CE1-CD1 3.93Å; F205-Y238 HydrophobicContact CE1-CD1 3.93Å; F205-Y238 AromaticContact CE1-CE1 3.68Å; F205-Y238 HydrophobicContact CE1-CE1 3.68Å; F205-Y238 AromaticContact CZ-CE1 3.92Å; F205-Y238 HydrophobicContact CZ-CE1 3.92Å; F205-A239 HydrophobicContact CB-CB 4.46Å; F205-A239 HydrophobicContact CD1-CB 4.29Å; F205-K242 HydrophobicContact CB-CB 4.09Å; F205-K242 HydrophobicContact CD1-CB 4.05Å; F205-K242 HydrophobicContact CD1-CG 4.1Å; F205-K242 HydrophobicContact CD2-CB 3.57Å; F205-K242 HydrophobicContact CD2-CG 3.94Å; F205-K242 HydrophobicContact CE1-CB 4.46Å; F205-K242 HydrophobicContact CE1-CG 4.03Å; F205-K242 HydrophobicContact CE2-CB 4.01Å; F205-K242 HydrophobicContact CE2-CD 4.11Å; F205-K242 HydrophobicContact CE2-CG 3.85Å; F205-K242 HydrophobicContact CG-CB 3.59Å; F205-K242 HydrophobicContact CG-CG 4.07Å; F205-K242 HydrophobicContact CZ-CB 4.44Å; F205-K242 HydrophobicContact CZ-CD 4.32Å; F205-K242 HydrophobicContact CZ-CG 3.91Å; F205-Q243 HydrophobicContact CB-CG 4.18Å |
| 206 | Y | 91.9 | Very high | 91.4 | Very high | 56 Ų | 56 | 35.1 Ų | 35.1 | 22% | 0.22 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.5 | -54.8 | 172.4 | 170.1 | -99.2 | 0 | 0 | 0 | 110.9 | D204 L210 N296 R298 | D204-Y206 PolarHBondContact O-N 3.23Å; D204-Y206 VanDerWaalsContact O-N 3.17Å; D204-Y206 WeakPolarHBondContact OD1-CA 3.5Å; D204-Y206 WeakPolarHBondContact OD1-CB 3.45Å; D204-Y206 PolarHBondContact OD1-N 3.1Å; D204-Y206 VanDerWaalsContact OD1-N 3.12Å; Y206-L210 HydrophobicContact CD1-CD1 4.35Å; Y206-L210 HydrophobicContact CE1-CD1 3.84Å; Y206-L210 HydrophobicContact CE2-CD1 4.37Å; Y206-L210 WeakPolarHBondContact O-CG 3.42Å; Y206-L210 PolarHBondContact O-N 3.24Å; Y206-N296 VanDerWaalsContact CA-OD1 3.31Å; Y206-N296 WeakPolarHBondContact CA-OD1 3.07Å; Y206-N296 HydrophobicContact CD2-CB 4.44Å; Y206-N296 VanDerWaalsContact CD2-CG 3.5Å; Y206-N296 VanDerWaalsContact CD2-OD1 3.29Å; Y206-N296 WeakPolarHBondContact CD2-OD1 3.25Å; Y206-N296 PolarHBondContact O-ND2 3.36Å; Y206-R298 HydrophobicContact CD1-CB 4.49Å; Y206-R298 HydrophobicContact CD1-CG 4.46Å; Y206-R298 HydrophobicContact CD2-CB 4.27Å; Y206-R298 HydrophobicContact CE2-CB 4.38Å; Y206-R298 HydrophobicContact CG-CB 4.35Å |
| 207 | H | 92.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.8 | -32 | 175.4 | -71.3 | 109.7 | 0 | 0 | 0 | 112.5 | M160 Q163 D164 A199 D204 L209 L210 W211 | M160-H207 HydrophobicContact CG-CB 3.94Å; M160-H207 HydrophobicContact SD-CB 3.32Å; M160-H207 WeakPolarHBondContact SD-CB 3.42Å; M160-H207 VanDerWaalsContact SD-CG 3.57Å; Q163-H207 PolarHBondContact OE1-CD2 3.3Å; D164-H207 IonicContact OD1-CE1 2.91Å; D164-H207 IonicContact OD1-NE2 2.73Å; A199-H207 HydrophobicContact CB-CB 3.98Å; D204-H207 VanDerWaalsContact CG-ND1 3.35Å; D204-H207 PolarHBondContact O-N 2.87Å; D204-H207 IonicContact OD1-CG 3.18Å; D204-H207 PolarHBondContact OD1-N 2.86Å; D204-H207 IonicContact OD1-ND1 3.63Å; D204-H207 PolarHBondContact OD1-ND1 3.2Å; D204-H207 IonicContact OD2-CE1 3.42Å; D204-H207 IonicContact OD2-CG 3.21Å; D204-H207 IonicContact OD2-ND1 2.77Å; D204-H207 PolarHBondContact OD2-ND1 3.47Å; H207-L209 VanDerWaalsContact C-N 3.33Å; H207-L209 PolarHBondContact O-N 2.87Å; H207-L210 PolarHBondContact O-N 3.07Å; H207-L210 VanDerWaalsContact O-N 3.14Å; H207-W211 PolarHBondContact O-N 2.99Å |
| 208 | T | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.6 | -47.4 | 174.5 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | Y200 D204 L210 A212 A239 | Y200-T208 VanDerWaalsContact CA-OG1 3.3Å; Y200-T208 WeakPolarHBondContact CA-OG1 3.47Å; Y200-T208 HydrophobicContact CD2-CG2 4.29Å; Y200-T208 PolarHBondContact N-OG1 3.14Å; Y200-T208 VanDerWaalsContact N-OG1 3.07Å; D204-T208 WeakPolarHBondContact O-CB 3.47Å; D204-T208 PolarHBondContact O-N 2.87Å; D204-T208 PolarHBondContact O-OG1 2.98Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 2.99Å; T208-A212 WeakPolarHBondContact O-CB 3.44Å; T208-A212 PolarHBondContact O-N 2.87Å; T208-A239 HydrophobicContact CG2-CB 3.68Å |
| 209 | L | 93.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 177.6 | -82.2 | -174.5 | 0 | 0 | 0 | 112.5 | F205 H207 Q213 L236 A239 M240 Q243 N296 | F205-L209 PolarHBondContact O-N 3.3Å; H207-L209 VanDerWaalsContact C-N 3.33Å; H207-L209 PolarHBondContact O-N 2.87Å; L209-Q213 WeakPolarHBondContact O-CB 3.45Å; L209-Q213 PolarHBondContact O-N 2.79Å; L209-L236 HydrophobicContact CD2-CD2 4.04Å; L209-A239 HydrophobicContact CD2-CB 3.74Å; L209-A239 HydrophobicContact CG-CB 3.89Å; L209-M240 HydrophobicContact CD1-SD 4Å; L209-M240 HydrophobicContact CD2-CB 4.41Å; L209-M240 HydrophobicContact CD2-CE 3.89Å; L209-M240 HydrophobicContact CD2-CG 3.68Å; L209-M240 HydrophobicContact CD2-SD 3.69Å; L209-Q243 HydrophobicContact CD1-CB 4.02Å; L209-Q243 HydrophobicContact CD1-CG 3.77Å; L209-N296 HydrophobicContact CD1-CB 4.29Å |
| 210 | L | 94 | Very high | 91.5 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -47.1 | -178 | -67.5 | 174.8 | 0 | 0 | 0 | 111.8 | T170 Y206 H207 T208 E214 | T170-L210 HydrophobicContact CG2-CB 4.24Å; Y206-L210 HydrophobicContact CD1-CD1 4.35Å; Y206-L210 HydrophobicContact CE1-CD1 3.84Å; Y206-L210 HydrophobicContact CE2-CD1 4.37Å; Y206-L210 WeakPolarHBondContact O-CG 3.42Å; Y206-L210 PolarHBondContact O-N 3.24Å; H207-L210 PolarHBondContact O-N 3.07Å; H207-L210 VanDerWaalsContact O-N 3.14Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 2.99Å; L210-E214 PolarHBondContact O-N 3.24Å |
| 211 | W | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -82.1 | -33.7 | -174.7 | -73.7 | 98.3 | 0 | 0 | 0 | 113.2 | T170 M173 A174 L187 C192 I195 A196 H207 Q213 E214 A215 | T170-W211 HydrophobicContact CG2-CD2 3.67Å; T170-W211 HydrophobicContact CG2-CE3 3.92Å; T170-W211 HydrophobicContact CG2-CG 4.15Å; T170-W211 HydrophobicContact CG2-CH2 4.15Å; T170-W211 HydrophobicContact CG2-CZ2 3.9Å; T170-W211 HydrophobicContact CG2-CZ3 4.14Å; M173-W211 HydrophobicContact CB-CH2 4.03Å; M173-W211 HydrophobicContact CB-CZ2 4.39Å; M173-W211 HydrophobicContact CE-CH2 4.49Å; M173-W211 HydrophobicContact CE-CZ2 4Å; M173-W211 HydrophobicContact SD-CZ2 4.46Å; A174-W211 HydrophobicContact CB-CZ3 4.22Å; L187-W211 HydrophobicContact CD1-CH2 4.43Å; L187-W211 HydrophobicContact CD1-CZ3 3.89Å; C192-W211 HydrophobicContact CB-CE3 4.36Å; I195-W211 HydrophobicContact CB-CB 4.4Å; I195-W211 HydrophobicContact CB-CD2 4.07Å; I195-W211 HydrophobicContact CB-CE3 4.22Å; I195-W211 HydrophobicContact CB-CG 4.15Å; I195-W211 HydrophobicContact CD1-CD2 4.28Å; I195-W211 HydrophobicContact CD1-CE3 3.85Å; I195-W211 HydrophobicContact CD1-CH2 4.04Å; I195-W211 HydrophobicContact CD1-CZ2 4.45Å; I195-W211 HydrophobicContact CD1-CZ3 3.73Å; I195-W211 HydrophobicContact CG2-CB 4.2Å; I195-W211 HydrophobicContact CG2-CD2 3.59Å; I195-W211 HydrophobicContact CG2-CE3 4.2Å; I195-W211 HydrophobicContact CG2-CG 3.56Å; A196-W211 HydrophobicContact CB-CB 3.75Å; H207-W211 PolarHBondContact O-N 2.99Å; W211-Q213 VanDerWaalsContact C-N 3.34Å; W211-E214 PolarHBondContact O-N 3.4Å; W211-A215 WeakPolarHBondContact O-CB 3.32Å; W211-A215 PolarHBondContact O-N 3.49Å |
| 212 | A | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73 | -27.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A196 T208 L216 L236 | A196-A212 HydrophobicContact CB-CB 3.78Å; T208-A212 WeakPolarHBondContact O-CB 3.44Å; T208-A212 PolarHBondContact O-N 2.87Å; A212-L216 WeakPolarHBondContact O-CB 3.47Å; A212-L216 PolarHBondContact O-N 3.42Å; A212-L236 HydrophobicContact CB-CD2 3.97Å; A212-L236 HydrophobicContact CB-CG 3.71Å |
| 213 | Q | 93.8 | Very high | 90.8 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 23% | 0.234 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69 | -47.5 | 171.6 | -174.3 | 63.4 | 58.5 | 0 | 0 | 110.9 | L209 W211 A215 L216 D217 L236 Y252 | L209-Q213 WeakPolarHBondContact O-CB 3.45Å; L209-Q213 PolarHBondContact O-N 2.79Å; W211-Q213 VanDerWaalsContact C-N 3.34Å; Q213-A215 VanDerWaalsContact C-N 3.25Å; Q213-A215 PolarHBondContact O-N 2.87Å; Q213-L216 PolarHBondContact O-N 3.3Å; Q213-D217 VanDerWaalsContact NE2-CG 3.26Å; Q213-D217 PolarHBondContact NE2-OD1 3.01Å; Q213-D217 PolarHBondContact NE2-OD2 3.02Å; Q213-D217 VanDerWaalsContact NE2-OD2 3.11Å; Q213-D217 WeakPolarHBondContact O-CB 3.4Å; Q213-D217 PolarHBondContact O-N 3.31Å; Q213-L236 HydrophobicContact CB-CD2 4.19Å; Q213-Y252 PolarHBondContact OE1-OH 3.38Å |
| 214 | E | 94.4 | Very high | 90.5 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.8 | -36.4 | 174 | -175.8 | 74.7 | -154.4 | 0 | 0 | 111.5 | T170 H171 A174 L210 W211 R218 | T170-E214 HydrophobicContact CG2-CB 4.41Å; H171-E214 VanDerWaalsContact CA-OE2 3.29Å; H171-E214 WeakPolarHBondContact CA-OE2 3.18Å; H171-E214 WeakPolarHBondContact CB-OE2 3.24Å; H171-E214 IonicContact CE1-OE1 2.85Å; H171-E214 IonicContact CG-OE2 3.94Å; H171-E214 IonicContact ND1-OE1 3.86Å; H171-E214 PolarHBondContact ND1-OE1 3.41Å; H171-E214 IonicContact ND1-OE2 2.76Å; H171-E214 PolarHBondContact ND1-OE2 3.04Å; A174-E214 HydrophobicContact CB-CG 3.67Å; A174-E214 WeakPolarHBondContact CB-OE1 3.26Å; L210-E214 PolarHBondContact O-N 3.24Å; W211-E214 PolarHBondContact O-N 3.4Å; E214-R218 WeakPolarHBondContact O-CB 3.46Å; E214-R218 VanDerWaalsContact O-CG 3.28Å; E214-R218 WeakPolarHBondContact O-CG 3.32Å; E214-R218 PolarHBondContact O-N 3.41Å; E214-R218 IonicContact OE1-CZ 3.18Å; E214-R218 VanDerWaalsContact OE1-CZ 3.25Å; E214-R218 IonicContact OE1-NE 3.36Å; E214-R218 PolarHBondContact OE1-NE 2.57Å; E214-R218 IonicContact OE1-NH2 3.45Å; E214-R218 PolarHBondContact OE1-NH2 3.1Å |
| 215 | A | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -50.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C192 L193 W211 Q213 D217 R218 V219 | C192-A215 HydrophobicContact CB-CB 3.81Å; L193-A215 HydrophobicContact CB-CB 3.94Å; W211-A215 WeakPolarHBondContact O-CB 3.32Å; W211-A215 PolarHBondContact O-N 3.49Å; Q213-A215 VanDerWaalsContact C-N 3.25Å; Q213-A215 PolarHBondContact O-N 2.87Å; A215-D217 VanDerWaalsContact C-N 3.32Å; A215-D217 PolarHBondContact O-N 3.09Å; A215-R218 PolarHBondContact O-N 3.3Å; A215-R218 VanDerWaalsContact O-N 3.09Å; A215-V219 WeakPolarHBondContact O-CG2 3.4Å; A215-V219 PolarHBondContact O-N 3.24Å |
| 216 | L | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.9 | 179.8 | 60.8 | 0 | 0 | 0 | 112.1 | A212 Q213 R218 V219 R220 E229 A232 L233 L236 Y252 | A212-L216 WeakPolarHBondContact O-CB 3.47Å; A212-L216 PolarHBondContact O-N 3.42Å; Q213-L216 PolarHBondContact O-N 3.3Å; L216-R218 PolarHBondContact O-N 2.87Å; L216-V219 PolarHBondContact O-N 3.29Å; L216-R220 HydrophobicContact CD1-CG 4.44Å; L216-R220 WeakPolarHBondContact O-CG 3.47Å; L216-R220 PolarHBondContact O-N 3.36Å; L216-E229 HydrophobicContact CD1-CG 3.44Å; L216-E229 VanDerWaalsContact CD1-CG 3.44Å; L216-A232 HydrophobicContact CB-CB 4.06Å; L216-A232 HydrophobicContact CD1-CB 4.34Å; L216-L233 HydrophobicContact CD1-CD2 4.24Å; L216-L233 HydrophobicContact CD1-CG 4.14Å; L216-L233 HydrophobicContact CD2-CD2 3.84Å; L216-L236 HydrophobicContact CB-CD1 3.77Å; L216-L236 HydrophobicContact CD2-CD1 3.35Å; L216-L236 HydrophobicContact CG-CD1 4.17Å; L216-Y252 HydrophobicContact CD2-CE1 4.05Å |
| 217 | D | 92.4 | Very high | 89.4 | Confident | 69 Ų | 69 | 50.3 Ų | 50.3 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.3 | -25.7 | 177.4 | -66.6 | -20.1 | 0 | 0 | 0 | 111.5 | Q213 A215 N221 | Q213-D217 VanDerWaalsContact NE2-CG 3.26Å; Q213-D217 PolarHBondContact NE2-OD1 3.01Å; Q213-D217 PolarHBondContact NE2-OD2 3.02Å; Q213-D217 VanDerWaalsContact NE2-OD2 3.11Å; Q213-D217 WeakPolarHBondContact O-CB 3.4Å; Q213-D217 PolarHBondContact O-N 3.31Å; A215-D217 VanDerWaalsContact C-N 3.32Å; A215-D217 PolarHBondContact O-N 3.09Å; D217-N221 PolarHBondContact O-ND2 3.3Å |
| 218 | R | 90.6 | Very high | 89.2 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -77.4 | -47.9 | 170.3 | -75.5 | 173.3 | -171.7 | -89.8 | -20.7 | 112.6 | E175 L187 A189 E214 A215 L216 R220 N221 E222 | E175-R218 IonicContact OE1-CZ 3.81Å; E175-R218 IonicContact OE1-NH1 2.91Å; E175-R218 PolarHBondContact OE1-NH1 3.41Å; E175-R218 IonicContact OE1-NH2 3.73Å; E175-R218 PolarHBondContact OE1-NH2 3.38Å; L187-R218 PolarHBondContact O-NH1 3.3Å; A189-R218 HydrophobicContact CB-CB 3.85Å; E214-R218 WeakPolarHBondContact O-CB 3.46Å; E214-R218 VanDerWaalsContact O-CG 3.28Å; E214-R218 WeakPolarHBondContact O-CG 3.32Å; E214-R218 PolarHBondContact O-N 3.41Å; E214-R218 IonicContact OE1-CZ 3.18Å; E214-R218 VanDerWaalsContact OE1-CZ 3.25Å; E214-R218 IonicContact OE1-NE 3.36Å; E214-R218 PolarHBondContact OE1-NE 2.57Å; E214-R218 IonicContact OE1-NH2 3.45Å; E214-R218 PolarHBondContact OE1-NH2 3.1Å; A215-R218 PolarHBondContact O-N 3.3Å; A215-R218 VanDerWaalsContact O-N 3.09Å; L216-R218 PolarHBondContact O-N 2.87Å; R218-R220 PolarHBondContact O-N 2.96Å; R218-R220 VanDerWaalsContact O-N 3.13Å; R218-N221 PolarHBondContact O-N 3.25Å; R218-E222 HydrophobicContact CB-CG 4.4Å; R218-E222 WeakPolarHBondContact O-CB 3.21Å; R218-E222 WeakPolarHBondContact O-CG 3.41Å; R218-E222 PolarHBondContact O-N 3.48Å |
| 219 | V | 91.4 | Very high | 89.1 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.2 | -40.3 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | A189 A215 L216 N221 P225 I227 E229 | A189-V219 HydrophobicContact CB-CG2 3.58Å; A215-V219 WeakPolarHBondContact O-CG2 3.4Å; A215-V219 PolarHBondContact O-N 3.24Å; L216-V219 PolarHBondContact O-N 3.29Å; V219-N221 VanDerWaalsContact C-N 3.3Å; V219-N221 PolarHBondContact O-N 3.49Å; V219-P225 HydrophobicContact CG1-CB 4.07Å; V219-I227 HydrophobicContact CG2-CD1 3.75Å; V219-I227 HydrophobicContact CG2-CG1 3.66Å; V219-E229 HydrophobicContact CG1-CB 3.94Å; V219-E229 HydrophobicContact CG1-CG 4.39Å |
| 220 | R | 90 | Very high | 89 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -6.6 | -178.7 | -69.9 | 172.9 | 170.2 | 169.3 | -1 | 115.1 | L216 R218 E229 | L216-R220 HydrophobicContact CD1-CG 4.44Å; L216-R220 WeakPolarHBondContact O-CG 3.47Å; L216-R220 PolarHBondContact O-N 3.36Å; R218-R220 PolarHBondContact O-N 2.96Å; R218-R220 VanDerWaalsContact O-N 3.13Å; R220-E229 IonicContact CZ-OE1 2.79Å; R220-E229 VanDerWaalsContact NE-CD 3.34Å; R220-E229 IonicContact NE-OE1 3.39Å; R220-E229 PolarHBondContact NE-OE1 3Å; R220-E229 IonicContact NE-OE2 4Å; R220-E229 IonicContact NH2-OE1 2.82Å; R220-E229 PolarHBondContact NH2-OE1 2.83Å |
| 221 | N | 87.6 | Confident | 88.7 | Confident | 135 Ų | 135 | 57.8 Ų | 57.8 | 72% | 0.722 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.6 | -11.2 | -176.3 | -69.6 | -76.9 | 0 | 0 | 0 | 114.8 | D217 R218 V219 | D217-N221 PolarHBondContact O-ND2 3.3Å; R218-N221 PolarHBondContact O-N 3.25Å; V219-N221 VanDerWaalsContact C-N 3.3Å; V219-N221 PolarHBondContact O-N 3.49Å |
| 222 | E | 80.9 | Confident | 88.6 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 25% | 0.248 | 29% | 0.29 | C | S | . | . | trans | -79.2 | 135.4 | 172.3 | -72.2 | 177.7 | 170 | 0 | 0 | 110.4 | A189 R218 E224 | A189-E222 WeakPolarHBondContact CB-OE2 3.35Å; A189-E222 PolarHBondContact N-OE1 3.44Å; A189-E222 PolarHBondContact N-OE2 3.29Å; R218-E222 HydrophobicContact CB-CG 4.4Å; R218-E222 WeakPolarHBondContact O-CB 3.21Å; R218-E222 WeakPolarHBondContact O-CG 3.41Å; R218-E222 PolarHBondContact O-N 3.48Å; E222-E224 VanDerWaalsContact C-N 3.33Å; E222-E224 PolarHBondContact O-N 2.79Å | ||
| 223 | E | 78.9 | Confident | 88.5 | Confident | 203 Ų | 203 | 57.8 Ų | 57.8 | 95% | 0.949 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -68.3 | -31.1 | -178.6 | -65.4 | -175 | 151.7 | 0 | 0 | 113 | ||
| 224 | E | 80.2 | Confident | 88.4 | Confident | 179 Ų | 179 | 56.5 Ų | 56.5 | 84% | 0.836 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -129.5 | 86.3 | 174.2 | -67.1 | -173.2 | 157.8 | 0 | 0 | 108.5 | E222 | E222-E224 VanDerWaalsContact C-N 3.33Å; E222-E224 PolarHBondContact O-N 2.79Å |
| 225 | P | 78.5 | Confident | 88.3 | Confident | 65 Ų | 65 | 57.7 Ų | 57.7 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | trans | -68.7 | 143.5 | -177.2 | 27.6 | -34.5 | 0 | 0 | 0 | 111.8 | V219 | V219-P225 HydrophobicContact CG1-CB 4.07Š| ||
| 226 | T | 82 | Confident | 88.3 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -88.2 | -7.4 | -174.3 | 38.7 | 0 | 0 | 0 | 0 | 114.7 | T188 E190 | T188-T226 HydrophobicContact CG2-CG2 4.42Å; T188-T226 PolarHBondContact OG1-OG1 3.49Å; E190-T226 WeakPolarHBondContact CB-OG1 3.43Å; E190-T226 PolarHBondContact N-OG1 2.84Å |
| 227 | I | 87.7 | Confident | 88.2 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -144.8 | 163.2 | 178.9 | 45.4 | 163.8 | 0 | 0 | 0 | 108.8 | A189 E190 L193 V219 D231 | A189-I227 HydrophobicContact CB-CD1 4.06Å; A189-I227 HydrophobicContact CB-CG1 3.87Å; E190-I227 HydrophobicContact CB-CG2 3.82Å; E190-I227 HydrophobicContact CG-CG2 3.8Å; L193-I227 HydrophobicContact CB-CD1 3.78Å; L193-I227 HydrophobicContact CD2-CD1 3.55Å; L193-I227 HydrophobicContact CD2-CG2 4.43Å; L193-I227 HydrophobicContact CG-CD1 4.26Å; V219-I227 HydrophobicContact CG2-CD1 3.75Å; V219-I227 HydrophobicContact CG2-CG1 3.66Å; I227-D231 HydrophobicContact CB-CB 4.49Å |
| 228 | D | 87.7 | Confident | 88.2 | Confident | 87 Ų | 87 | 58 Ų | 58 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | trans | -76.8 | 156.8 | 173.4 | -164.6 | -80.6 | 0 | 0 | 0 | 111.1 | T230 D231 | D228-T230 VanDerWaalsContact CG-OG1 3.29Å; D228-T230 PolarHBondContact O-N 2.9Å; D228-T230 VanDerWaalsContact OD1-CB 3.27Å; D228-T230 WeakPolarHBondContact OD1-CB 3.44Å; D228-T230 VanDerWaalsContact OD1-CG2 3.22Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.27Å; D228-T230 PolarHBondContact OD1-N 2.95Å; D228-T230 PolarHBondContact OD1-OG1 3.24Å; D228-D231 WeakPolarHBondContact O-CB 2.84Å; D228-D231 PolarHBondContact O-N 3.49Å | ||
| 229 | E | 91 | Very high | 88.3 | Confident | 46 Ų | 46 | 57 Ų | 57 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -30.1 | 175.3 | -166.1 | -177.8 | 140.8 | 0 | 0 | 111.5 | L216 V219 R220 D231 A232 L233 L259 | L216-E229 HydrophobicContact CD1-CG 3.44Å; L216-E229 VanDerWaalsContact CD1-CG 3.44Å; V219-E229 HydrophobicContact CG1-CB 3.94Å; V219-E229 HydrophobicContact CG1-CG 4.39Å; R220-E229 IonicContact CZ-OE1 2.79Å; R220-E229 VanDerWaalsContact NE-CD 3.34Å; R220-E229 IonicContact NE-OE1 3.39Å; R220-E229 PolarHBondContact NE-OE1 3Å; R220-E229 IonicContact NE-OE2 4Å; R220-E229 IonicContact NH2-OE1 2.82Å; R220-E229 PolarHBondContact NH2-OE1 2.83Å; E229-D231 VanDerWaalsContact C-N 3.31Å; E229-D231 PolarHBondContact O-N 3.41Å; E229-A232 PolarHBondContact O-N 3.37Å; E229-L233 HydrophobicContact CG-CD1 3.97Å; E229-L233 HydrophobicContact CG-CG 4.34Å; E229-L233 WeakPolarHBondContact O-CB 3.2Å; E229-L233 VanDerWaalsContact O-CG 3.31Å; E229-L233 WeakPolarHBondContact O-CG 3.13Å; E229-L233 PolarHBondContact O-N 3.36Å; E229-L233 VanDerWaalsContact O-N 3.11Å; E229-L259 HydrophobicContact CB-CD1 3.94Å; E229-L259 HydrophobicContact CG-CD1 4.06Å |
| 230 | T | 91.2 | Very high | 88.4 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 175.7 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | D228 L233 E234 L256 L259 D260 | D228-T230 VanDerWaalsContact CG-OG1 3.29Å; D228-T230 PolarHBondContact O-N 2.9Å; D228-T230 VanDerWaalsContact OD1-CB 3.27Å; D228-T230 WeakPolarHBondContact OD1-CB 3.44Å; D228-T230 VanDerWaalsContact OD1-CG2 3.22Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.27Å; D228-T230 PolarHBondContact OD1-N 2.95Å; D228-T230 PolarHBondContact OD1-OG1 3.24Å; T230-L233 PolarHBondContact O-N 3.25Å; T230-E234 PolarHBondContact O-N 3.46Å; T230-L256 VanDerWaalsContact CB-CD1 3.48Å; T230-L256 HydrophobicContact CG2-CD1 3.77Å; T230-L256 WeakPolarHBondContact O-CD1 3.33Å; T230-L259 HydrophobicContact CG2-CB 3.58Å; T230-L259 HydrophobicContact CG2-CD1 4.24Å; T230-D260 HydrophobicContact CG2-CB 4.11Å |
| 231 | D | 89 | Confident | 88.5 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.3 | -53.4 | 176.2 | -94.3 | -63.4 | 0 | 0 | 0 | 111.1 | L193 R197 I227 D228 E229 Y235 | L193-D231 HydrophobicContact CD2-CB 3.67Å; R197-D231 IonicContact NH2-OD1 2.95Å; R197-D231 PolarHBondContact NH2-OD1 3.25Å; I227-D231 HydrophobicContact CB-CB 4.49Å; D228-D231 WeakPolarHBondContact O-CB 2.84Å; D228-D231 PolarHBondContact O-N 3.49Å; E229-D231 VanDerWaalsContact C-N 3.31Å; E229-D231 PolarHBondContact O-N 3.41Å; D231-Y235 VanDerWaalsContact O-CD2 3.31Å; D231-Y235 WeakPolarHBondContact O-CD2 2.99Å |
| 232 | A | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.1 | -37.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L193 L216 E229 E234 L236 | L193-A232 HydrophobicContact CD1-CB 4.44Å; L216-A232 HydrophobicContact CB-CB 4.06Å; L216-A232 HydrophobicContact CD1-CB 4.34Å; E229-A232 PolarHBondContact O-N 3.37Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 3.46Å; A232-L236 WeakPolarHBondContact O-CB 3.29Å; A232-L236 PolarHBondContact O-N 2.93Å; A232-L236 VanDerWaalsContact O-N 3.16Å |
| 233 | L | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -34.4 | 179.7 | -76 | 169.2 | 0 | 0 | 0 | 113.3 | L216 E229 T230 A237 Y252 Q255 L256 L259 | L216-L233 HydrophobicContact CD1-CD2 4.24Å; L216-L233 HydrophobicContact CD1-CG 4.14Å; L216-L233 HydrophobicContact CD2-CD2 3.84Å; E229-L233 HydrophobicContact CG-CD1 3.97Å; E229-L233 HydrophobicContact CG-CG 4.34Å; E229-L233 WeakPolarHBondContact O-CB 3.2Å; E229-L233 VanDerWaalsContact O-CG 3.31Å; E229-L233 WeakPolarHBondContact O-CG 3.13Å; E229-L233 PolarHBondContact O-N 3.36Å; E229-L233 VanDerWaalsContact O-N 3.11Å; T230-L233 PolarHBondContact O-N 3.25Å; L233-A237 WeakPolarHBondContact O-CB 3.42Å; L233-A237 PolarHBondContact O-N 3.44Å; L233-Y252 HydrophobicContact CD2-CD1 3.51Å; L233-Y252 HydrophobicContact CD2-CE1 4.33Å; L233-Y252 HydrophobicContact CD2-CG 4.1Å; L233-Q255 HydrophobicContact CD1-CB 3.94Å; L233-Q255 HydrophobicContact CD2-CB 4.15Å; L233-L256 HydrophobicContact CB-CB 4.33Å; L233-L256 HydrophobicContact CB-CD1 4.33Å; L233-L259 HydrophobicContact CD1-CD1 3.56Å |
| 234 | E | 90.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.9 | -50.7 | 178.6 | 178 | 168 | -107.5 | 0 | 0 | 112.2 | T230 A232 L236 A237 Y238 L256 H263 R265 | T230-E234 PolarHBondContact O-N 3.46Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 3.46Å; E234-L236 VanDerWaalsContact C-N 3.3Å; E234-L236 PolarHBondContact O-N 2.95Å; E234-A237 PolarHBondContact O-N 3.36Å; E234-Y238 PolarHBondContact O-N 3.07Å; E234-L256 HydrophobicContact CB-CD2 4.28Å; E234-H263 IonicContact OE1-CE1 2.69Å; E234-H263 PolarHBondContact OE1-CE1 3.07Å; E234-H263 VanDerWaalsContact OE1-CE1 3.27Å; E234-H263 IonicContact OE1-NE2 3.23Å; E234-R265 VanDerWaalsContact CD-NH2 3.25Å; E234-R265 IonicContact OE1-CZ 3.25Å; E234-R265 IonicContact OE1-NE 2.63Å; E234-R265 PolarHBondContact OE1-NE 3.4Å; E234-R265 IonicContact OE1-NH1 3.42Å; E234-R265 PolarHBondContact OE1-NH1 2.9Å; E234-R265 IonicContact OE1-NH2 3.02Å; E234-R265 PolarHBondContact OE1-NH2 3.42Å; E234-R265 VanDerWaalsContact OE1-NH2 3.09Å; E234-R265 IonicContact OE2-CZ 3.62Å; E234-R265 IonicContact OE2-NH1 3.99Å; E234-R265 PolarHBondContact OE2-NH1 3.19Å; E234-R265 IonicContact OE2-NH2 2.87Å; E234-R265 PolarHBondContact OE2-NH2 2.97Å |
| 235 | Y | 92.8 | Very high | 90.2 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 17% | 0.169 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | -179.8 | -70 | -86.5 | 0 | 0 | 0 | 111.2 | L193 R197 Y200 D231 A239 | L193-Y235 HydrophobicContact CD1-CD2 3.99Å; L193-Y235 HydrophobicContact CD1-CG 4.47Å; R197-Y235 HydrophobicContact CG-CD1 4.41Å; R197-Y235 HydrophobicContact CG-CD2 4.38Å; R197-Y235 HydrophobicContact CG-CE1 3.89Å; R197-Y235 HydrophobicContact CG-CE2 3.88Å; Y200-Y235 HydrophobicContact CD1-CD1 4.1Å; Y200-Y235 AromaticContact CD1-CE1 3.86Å; Y200-Y235 HydrophobicContact CD1-CE1 3.86Å; Y200-Y235 AromaticContact CD2-CD1 3.56Å; Y200-Y235 HydrophobicContact CD2-CD1 3.56Å; Y200-Y235 HydrophobicContact CD2-CE1 4.14Å; Y200-Y235 HydrophobicContact CE1-CE1 4.23Å; Y200-Y235 HydrophobicContact CE2-CD1 4.03Å; Y200-Y235 HydrophobicContact CE2-CE1 4.44Å; Y200-Y235 AromaticContact CG-CD1 3.59Å; Y200-Y235 HydrophobicContact CG-CD1 3.59Å; Y200-Y235 AromaticContact CG-CE1 3.84Å; Y200-Y235 HydrophobicContact CG-CE1 3.84Å; D231-Y235 VanDerWaalsContact O-CD2 3.31Å; D231-Y235 WeakPolarHBondContact O-CD2 2.99Å; Y235-A239 WeakPolarHBondContact O-CB 3.17Å; Y235-A239 PolarHBondContact O-N 3.38Å |
| 236 | L | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | 173.1 | -84.7 | 170.1 | 0 | 0 | 0 | 112.9 | L209 A212 Q213 L216 A232 E234 Y238 A239 M240 Y252 | L209-L236 HydrophobicContact CD2-CD2 4.04Å; A212-L236 HydrophobicContact CB-CD2 3.97Å; A212-L236 HydrophobicContact CB-CG 3.71Å; Q213-L236 HydrophobicContact CB-CD2 4.19Å; L216-L236 HydrophobicContact CB-CD1 3.77Å; L216-L236 HydrophobicContact CD2-CD1 3.35Å; L216-L236 HydrophobicContact CG-CD1 4.17Å; A232-L236 WeakPolarHBondContact O-CB 3.29Å; A232-L236 PolarHBondContact O-N 2.93Å; A232-L236 VanDerWaalsContact O-N 3.16Å; E234-L236 VanDerWaalsContact C-N 3.3Å; E234-L236 PolarHBondContact O-N 2.95Å; L236-Y238 PolarHBondContact O-N 2.97Å; L236-A239 PolarHBondContact O-N 2.65Å; L236-M240 WeakPolarHBondContact O-CB 3.38Å; L236-M240 WeakPolarHBondContact O-CG 3.23Å; L236-M240 PolarHBondContact O-N 2.89Å; L236-Y252 HydrophobicContact CB-CD2 3.98Å; L236-Y252 HydrophobicContact CB-CE2 4.2Å; L236-Y252 HydrophobicContact CB-CG 4.41Å; L236-Y252 HydrophobicContact CD2-CE2 4.49Å |
| 237 | A | 92.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L233 E234 Y241 A249 | L233-A237 WeakPolarHBondContact O-CB 3.42Å; L233-A237 PolarHBondContact O-N 3.44Å; E234-A237 PolarHBondContact O-N 3.36Å; A237-Y241 PolarHBondContact O-N 3.08Å; A237-Y241 VanDerWaalsContact O-N 3.12Å; A237-A249 WeakPolarHBondContact O-CB 3.27Å |
| 238 | Y | 92.1 | Very high | 91.4 | Very high | 76 Ų | 76 | 36.2 Ų | 36.2 | 30% | 0.298 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.5 | -41.4 | 179.3 | -173 | -91.4 | 0 | 0 | 0 | 112.6 | Y200 F205 E234 L236 Y241 K242 | Y200-Y238 HydrophobicContact CD2-CD1 4.08Å; Y200-Y238 AromaticContact CE2-CD1 3.23Å; Y200-Y238 HydrophobicContact CE2-CD1 3.23Å; Y200-Y238 AromaticContact CE2-CE1 3.69Å; Y200-Y238 HydrophobicContact CE2-CE1 3.69Å; Y200-Y238 AromaticContact CE2-CG 3.86Å; Y200-Y238 HydrophobicContact CE2-CG 3.86Å; Y200-Y238 AromaticContact CZ-CD1 3.88Å; Y200-Y238 AromaticContact CZ-CE1 3.92Å; F205-Y238 AromaticContact CE1-CD1 3.93Å; F205-Y238 HydrophobicContact CE1-CD1 3.93Å; F205-Y238 AromaticContact CE1-CE1 3.68Å; F205-Y238 HydrophobicContact CE1-CE1 3.68Å; F205-Y238 AromaticContact CZ-CE1 3.92Å; F205-Y238 HydrophobicContact CZ-CE1 3.92Å; E234-Y238 PolarHBondContact O-N 3.07Å; L236-Y238 PolarHBondContact O-N 2.97Å; Y238-Y241 WeakPolarHBondContact O-CB 3.35Å; Y238-Y241 PolarHBondContact O-N 2.96Å; Y238-K242 HydrophobicContact CD1-CG 3.89Å; Y238-K242 HydrophobicContact CE1-CD 4.23Å; Y238-K242 HydrophobicContact CE1-CG 3.74Å; Y238-K242 WeakPolarHBondContact O-CG 3.24Å; Y238-K242 PolarHBondContact O-N 3.39Å; Y238-K242 WeakPolarHBondContact OH-CE 3.46Å; Y238-K242 PolarHBondContact OH-NZ 3.26Å |
| 239 | A | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.8 | -36.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F205 T208 L209 Y235 L236 K242 Q243 | F205-A239 HydrophobicContact CB-CB 4.46Å; F205-A239 HydrophobicContact CD1-CB 4.29Å; T208-A239 HydrophobicContact CG2-CB 3.68Å; L209-A239 HydrophobicContact CD2-CB 3.74Å; L209-A239 HydrophobicContact CG-CB 3.89Å; Y235-A239 WeakPolarHBondContact O-CB 3.17Å; Y235-A239 PolarHBondContact O-N 3.38Å; L236-A239 PolarHBondContact O-N 2.65Å; A239-K242 PolarHBondContact O-N 2.89Å; A239-Q243 PolarHBondContact O-N 3.06Å |
| 240 | M | 93.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.034 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 171.8 | -81.6 | -60.9 | -176.1 | 0 | 0 | 110.9 | L209 L236 K242 Q243 G244 N245 W248 A249 Y252 P294 | L209-M240 HydrophobicContact CD1-SD 4Å; L209-M240 HydrophobicContact CD2-CB 4.41Å; L209-M240 HydrophobicContact CD2-CE 3.89Å; L209-M240 HydrophobicContact CD2-CG 3.68Å; L209-M240 HydrophobicContact CD2-SD 3.69Å; L236-M240 WeakPolarHBondContact O-CB 3.38Å; L236-M240 WeakPolarHBondContact O-CG 3.23Å; L236-M240 PolarHBondContact O-N 2.89Å; M240-K242 PolarHBondContact O-N 3.17Å; M240-Q243 PolarHBondContact O-N 2.86Å; M240-G244 PolarHBondContact O-N 2.68Å; M240-N245 HydrophobicContact CB-CB 4.24Å; M240-N245 WeakPolarHBondContact O-CA 3.35Å; M240-N245 WeakPolarHBondContact O-CB 3.44Å; M240-N245 PolarHBondContact O-N 3.27Å; M240-N245 HydrophobicContact SD-CB 3.81Å; M240-W248 HydrophobicContact CB-CB 4.18Å; M240-W248 HydrophobicContact CE-CB 4.32Å; M240-W248 HydrophobicContact CE-CG 4.46Å; M240-W248 HydrophobicContact CG-CB 3.84Å; M240-W248 HydrophobicContact SD-CB 3.84Å; M240-W248 HydrophobicContact SD-CG 4.34Å; M240-A249 HydrophobicContact CB-CB 4.12Å; M240-Y252 HydrophobicContact CE-CE2 3.83Å; M240-Y252 HydrophobicContact CG-CD2 4.01Å; M240-Y252 HydrophobicContact CG-CE2 3.84Å; M240-P294 HydrophobicContact CE-CB 3.76Å; M240-P294 HydrophobicContact CE-CG 3.88Å; M240-P294 HydrophobicContact SD-CB 3.75Å |
| 241 | Y | 92.4 | Very high | 91.7 | Very high | 67 Ų | 67 | 29.7 Ų | 29.7 | 26% | 0.263 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59 | -46.7 | 175.5 | 167.7 | -107.2 | 0 | 0 | 0 | 111.9 | A237 Y238 Q243 G244 V246 F272 Y273 | A237-Y241 PolarHBondContact O-N 3.08Å; A237-Y241 VanDerWaalsContact O-N 3.12Å; Y238-Y241 WeakPolarHBondContact O-CB 3.35Å; Y238-Y241 PolarHBondContact O-N 2.96Å; Y241-Q243 VanDerWaalsContact C-N 3.32Å; Y241-Q243 PolarHBondContact O-N 3.33Å; Y241-G244 WeakPolarHBondContact O-CA 3.4Å; Y241-G244 PolarHBondContact O-N 3.28Å; Y241-V246 HydrophobicContact CD2-CG1 4.34Å; Y241-V246 HydrophobicContact CD2-CG2 4.16Å; Y241-F272 HydrophobicContact CD2-CE1 4.5Å; Y241-F272 AromaticContact CE1-CE1 3.91Å; Y241-F272 HydrophobicContact CE1-CE1 3.91Å; Y241-F272 HydrophobicContact CE1-CZ 4.41Å; Y241-F272 AromaticContact CE2-CE1 3.87Å; Y241-F272 HydrophobicContact CE2-CE1 3.87Å; Y241-F272 HydrophobicContact CE2-CZ 4.47Å; Y241-F272 AromaticContact CZ-CE1 3.55Å; Y241-F272 AromaticContact CZ-CZ 3.9Å; Y241-F272 WeakPolarHBondContact OH-CZ 3.25Å; Y241-Y273 HydrophobicContact CD1-CE1 4.08Å; Y241-Y273 AromaticContact CD2-CD1 3.84Å; Y241-Y273 HydrophobicContact CD2-CD1 3.84Å; Y241-Y273 AromaticContact CD2-CE1 3.58Å; Y241-Y273 HydrophobicContact CD2-CE1 3.58Å; Y241-Y273 HydrophobicContact CE2-CD1 4.45Å; Y241-Y273 HydrophobicContact CE2-CE1 4.32Å; Y241-Y273 HydrophobicContact CG-CD1 4.19Å; Y241-Y273 AromaticContact CG-CE1 3.45Å; Y241-Y273 HydrophobicContact CG-CE1 3.45Å; Y241-Y273 VanDerWaalsContact CG-CE1 3.45Å |
| 242 | K | 90.7 | Very high | 91.9 | Very high | 96 Ų | 96 | 27.7 Ų | 27.7 | 42% | 0.417 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.4 | -30.1 | -179.5 | -69.1 | -67.7 | -176.5 | 177.8 | 0 | 114 | F205 Y238 A239 M240 G244 | F205-K242 HydrophobicContact CB-CB 4.09Å; F205-K242 HydrophobicContact CD1-CB 4.05Å; F205-K242 HydrophobicContact CD1-CG 4.1Å; F205-K242 HydrophobicContact CD2-CB 3.57Å; F205-K242 HydrophobicContact CD2-CG 3.94Å; F205-K242 HydrophobicContact CE1-CB 4.46Å; F205-K242 HydrophobicContact CE1-CG 4.03Å; F205-K242 HydrophobicContact CE2-CB 4.01Å; F205-K242 HydrophobicContact CE2-CD 4.11Å; F205-K242 HydrophobicContact CE2-CG 3.85Å; F205-K242 HydrophobicContact CG-CB 3.59Å; F205-K242 HydrophobicContact CG-CG 4.07Å; F205-K242 HydrophobicContact CZ-CB 4.44Å; F205-K242 HydrophobicContact CZ-CD 4.32Å; F205-K242 HydrophobicContact CZ-CG 3.91Å; Y238-K242 HydrophobicContact CD1-CG 3.89Å; Y238-K242 HydrophobicContact CE1-CD 4.23Å; Y238-K242 HydrophobicContact CE1-CG 3.74Å; Y238-K242 WeakPolarHBondContact O-CG 3.24Å; Y238-K242 PolarHBondContact O-N 3.39Å; Y238-K242 WeakPolarHBondContact OH-CE 3.46Å; Y238-K242 PolarHBondContact OH-NZ 3.26Å; A239-K242 PolarHBondContact O-N 2.89Å; M240-K242 PolarHBondContact O-N 3.17Å; K242-G244 VanDerWaalsContact C-N 3.27Å |
| 243 | Q | 90.6 | Very high | 91.9 | Very high | 31 Ų | 31 | 27.7 Ų | 27.7 | 15% | 0.145 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2.5 | 171.7 | -72.7 | -76.8 | -1.1 | 0 | 0 | 113.6 | F205 L209 A239 M240 Y241 K295 N296 K297 | F205-Q243 HydrophobicContact CB-CG 4.18Å; L209-Q243 HydrophobicContact CD1-CB 4.02Å; L209-Q243 HydrophobicContact CD1-CG 3.77Å; A239-Q243 PolarHBondContact O-N 3.06Å; M240-Q243 PolarHBondContact O-N 2.86Å; Y241-Q243 VanDerWaalsContact C-N 3.32Å; Y241-Q243 PolarHBondContact O-N 3.33Å; Q243-K295 WeakPolarHBondContact CB-O 3.37Å; Q243-N296 PolarHBondContact NE2-OD1 3.4Å; Q243-N296 VanDerWaalsContact NE2-OD1 3.09Å; Q243-K297 PolarHBondContact NE2-O 2.65Å |
| 244 | G | 89.3 | Confident | 91.8 | Very high | 45 Ų | 45 | 29 Ų | 29 | 46% | 0.464 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 18.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | M240 Y241 K242 V246 | M240-G244 PolarHBondContact O-N 2.68Å; Y241-G244 WeakPolarHBondContact O-CA 3.4Å; Y241-G244 PolarHBondContact O-N 3.28Å; K242-G244 VanDerWaalsContact C-N 3.27Å; G244-V246 PolarHBondContact O-N 2.85Å |
| 245 | N | 91.9 | Very high | 91.9 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | trans | -99.9 | 60.5 | 178.9 | -52.9 | -54.7 | 0 | 0 | 0 | 110.5 | M240 E247 W248 A249 P294 K295 | M240-N245 HydrophobicContact CB-CB 4.24Å; M240-N245 WeakPolarHBondContact O-CA 3.35Å; M240-N245 WeakPolarHBondContact O-CB 3.44Å; M240-N245 PolarHBondContact O-N 3.27Å; M240-N245 HydrophobicContact SD-CB 3.81Å; N245-E247 VanDerWaalsContact C-N 3.27Å; N245-E247 PolarHBondContact O-N 3.5Å; N245-W248 HydrophobicContact CB-CB 4.11Å; N245-W248 HydrophobicContact CB-CG 4.49Å; N245-W248 PolarHBondContact O-N 3.47Å; N245-A249 PolarHBondContact O-N 2.65Å; N245-P294 HydrophobicContact CB-CB 4.43Å; N245-K295 PolarHBondContact ND2-N 3.42Å; N245-K295 PolarHBondContact ND2-O 3.47Å; N245-K295 PolarHBondContact OD1-N 3.4Å | ||
| 246 | V | 90.7 | Very high | 91.8 | Very high | 27 Ų | 27 | 28.1 Ų | 28.1 | 16% | 0.164 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -32.6 | -170.2 | -165 | 0 | 0 | 0 | 0 | 112.7 | Y241 G244 A249 L250 Y273 A276 L277 | Y241-V246 HydrophobicContact CD2-CG1 4.34Å; Y241-V246 HydrophobicContact CD2-CG2 4.16Å; G244-V246 PolarHBondContact O-N 2.85Å; V246-A249 WeakPolarHBondContact O-CB 3.06Å; V246-A249 PolarHBondContact O-N 3.09Å; V246-L250 PolarHBondContact O-N 3.07Å; V246-Y273 HydrophobicContact CG1-CD1 4.24Å; V246-A276 HydrophobicContact CG1-CB 4.17Å; V246-L277 HydrophobicContact CB-CD2 3.95Å; V246-L277 HydrophobicContact CB-CG 4.1Å; V246-L277 HydrophobicContact CG1-CD1 4.21Å; V246-L277 HydrophobicContact CG1-CD2 4.2Å; V246-L277 HydrophobicContact CG1-CG 3.78Å |
| 247 | E | 90.9 | Very high | 91.7 | Very high | 84 Ų | 84 | 32.9 Ų | 32.9 | 39% | 0.393 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 173.6 | -56.3 | 175 | 121.1 | 0 | 0 | 112.2 | N245 L250 H251 L277 P286 L291 | N245-E247 VanDerWaalsContact C-N 3.27Å; N245-E247 PolarHBondContact O-N 3.5Å; E247-L250 PolarHBondContact O-N 3.18Å; E247-H251 WeakPolarHBondContact O-CB 3.45Å; E247-H251 PolarHBondContact O-N 2.93Å; E247-L277 HydrophobicContact CG-CD1 4.47Å; E247-L277 HydrophobicContact CG-CD2 3.84Å; E247-P286 WeakPolarHBondContact O-CG 3.1Å; E247-L291 HydrophobicContact CB-CD1 4.32Å; E247-L291 HydrophobicContact CB-CD2 3.62Å; E247-L291 HydrophobicContact CG-CD2 4.26Å |
| 248 | W | 92.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.1 | -34.5 | 175.3 | -75.5 | 102.6 | 0 | 0 | 0 | 112.2 | M240 N245 H251 Y252 P288 L291 S292 | M240-W248 HydrophobicContact CB-CB 4.18Å; M240-W248 HydrophobicContact CE-CB 4.32Å; M240-W248 HydrophobicContact CE-CG 4.46Å; M240-W248 HydrophobicContact CG-CB 3.84Å; M240-W248 HydrophobicContact SD-CB 3.84Å; M240-W248 HydrophobicContact SD-CG 4.34Å; N245-W248 HydrophobicContact CB-CB 4.11Å; N245-W248 HydrophobicContact CB-CG 4.49Å; N245-W248 PolarHBondContact O-N 3.47Å; W248-H251 WeakPolarHBondContact O-CB 3.48Å; W248-H251 PolarHBondContact O-N 3.21Å; W248-Y252 HydrophobicContact CE3-CE2 4.33Å; W248-Y252 VanDerWaalsContact O-CD2 3.28Å; W248-Y252 WeakPolarHBondContact O-CD2 3.47Å; W248-Y252 PolarHBondContact O-N 3.44Å; W248-P288 HydrophobicContact CH2-CB 3.86Å; W248-P288 HydrophobicContact CZ3-CB 3.92Å; W248-L291 HydrophobicContact CD2-CD1 3.54Å; W248-L291 HydrophobicContact CE3-CD1 3.89Å; W248-L291 HydrophobicContact CG-CD1 3.93Å; W248-L291 HydrophobicContact CH2-CB 4.35Å; W248-L291 HydrophobicContact CH2-CD1 4.19Å; W248-L291 HydrophobicContact CZ2-CB 3.55Å; W248-L291 HydrophobicContact CZ2-CD1 3.89Å; W248-L291 HydrophobicContact CZ2-CG 4.34Å; W248-L291 HydrophobicContact CZ3-CD1 4.2Å; W248-S292 PolarHBondContact NE1-O 2.96Å |
| 249 | A | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A237 M240 N245 V246 T253 Y273 | A237-A249 WeakPolarHBondContact O-CB 3.27Å; M240-A249 HydrophobicContact CB-CB 4.12Å; N245-A249 PolarHBondContact O-N 2.65Å; V246-A249 WeakPolarHBondContact O-CB 3.06Å; V246-A249 PolarHBondContact O-N 3.09Å; A249-T253 WeakPolarHBondContact O-CB 3.4Å; A249-T253 PolarHBondContact O-N 2.8Å; A249-T253 PolarHBondContact O-OG1 2.8Å; A249-Y273 HydrophobicContact CB-CD1 4.31Å; A249-Y273 HydrophobicContact CB-CD2 4Å; A249-Y273 HydrophobicContact CB-CE1 4.21Å; A249-Y273 HydrophobicContact CB-CE2 3.88Å; A249-Y273 HydrophobicContact CB-CG 4.23Å |
| 250 | L | 91.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 173.1 | 180 | 58.1 | 0 | 0 | 0 | 111.2 | V246 E247 Y252 T253 L254 I270 Q274 L277 V283 P286 | V246-L250 PolarHBondContact O-N 3.07Å; E247-L250 PolarHBondContact O-N 3.18Å; L250-Y252 PolarHBondContact O-N 2.93Å; L250-T253 PolarHBondContact O-N 3.13Å; L250-L254 HydrophobicContact CD1-CD1 4.1Å; L250-L254 HydrophobicContact CD1-CG 4.15Å; L250-L254 HydrophobicContact CG-CD1 4Å; L250-L254 HydrophobicContact CG-CG 4.49Å; L250-L254 WeakPolarHBondContact O-CG 3.43Å; L250-L254 PolarHBondContact O-N 3.2Å; L250-I270 HydrophobicContact CD1-CG1 4.47Å; L250-I270 HydrophobicContact CD1-CG2 4.15Å; L250-Q274 HydrophobicContact CD1-CG 4.04Å; L250-Q274 HydrophobicContact CD2-CG 4.01Å; L250-L277 HydrophobicContact CB-CD1 4.39Å; L250-L277 HydrophobicContact CD2-CD1 3.85Å; L250-V283 HydrophobicContact CD2-CG1 4Å; L250-P286 HydrophobicContact CB-CG 4.4Å; L250-P286 HydrophobicContact CD2-CG 4.37Å; L250-P286 HydrophobicContact CG-CG 4.25Å |
| 251 | H | 92.3 | Very high | 91.2 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 11% | 0.106 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55 | -53.5 | 177.4 | -174.6 | 74.9 | 0 | 0 | 0 | 112.6 | E247 W248 T253 L254 Q255 P286 P288 | E247-H251 WeakPolarHBondContact O-CB 3.45Å; E247-H251 PolarHBondContact O-N 2.93Å; W248-H251 WeakPolarHBondContact O-CB 3.48Å; W248-H251 PolarHBondContact O-N 3.21Å; H251-T253 VanDerWaalsContact C-N 3.32Å; H251-T253 PolarHBondContact O-N 3.25Å; H251-L254 PolarHBondContact O-N 3.1Å; H251-Q255 PolarHBondContact NE2-NE2 3.09Å; H251-Q255 PolarHBondContact O-N 3.49Å; H251-P286 HydrophobicContact CB-CG 3.91Å; H251-P286 PolarHBondContact ND1-O 3.48Å; H251-P286 VanDerWaalsContact ND1-O 3.1Å; H251-P288 VanDerWaalsContact CE1-CD 3.45Å; H251-P288 WeakPolarHBondContact CE1-CD 3.44Å; H251-P288 VanDerWaalsContact CE1-CG 3.44Å; H251-P288 WeakPolarHBondContact CE1-CG 3.18Å |
| 252 | Y | 92.5 | Very high | 91 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -30.3 | 178.8 | -67.6 | -50.1 | 0 | 0 | 0 | 113 | Q213 L216 L233 L236 M240 W248 L250 Q255 L256 | Q213-Y252 PolarHBondContact OE1-OH 3.38Å; L216-Y252 HydrophobicContact CD2-CE1 4.05Å; L233-Y252 HydrophobicContact CD2-CD1 3.51Å; L233-Y252 HydrophobicContact CD2-CE1 4.33Å; L233-Y252 HydrophobicContact CD2-CG 4.1Å; L236-Y252 HydrophobicContact CB-CD2 3.98Å; L236-Y252 HydrophobicContact CB-CE2 4.2Å; L236-Y252 HydrophobicContact CB-CG 4.41Å; L236-Y252 HydrophobicContact CD2-CE2 4.49Å; M240-Y252 HydrophobicContact CE-CE2 3.83Å; M240-Y252 HydrophobicContact CG-CD2 4.01Å; M240-Y252 HydrophobicContact CG-CE2 3.84Å; W248-Y252 HydrophobicContact CE3-CE2 4.33Å; W248-Y252 VanDerWaalsContact O-CD2 3.28Å; W248-Y252 WeakPolarHBondContact O-CD2 3.47Å; W248-Y252 PolarHBondContact O-N 3.44Å; L250-Y252 PolarHBondContact O-N 2.93Å; Y252-Q255 PolarHBondContact O-N 3.49Å; Y252-L256 WeakPolarHBondContact O-CB 3.23Å; Y252-L256 PolarHBondContact O-N 3.38Å |
| 253 | T | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.8 | -30.7 | 175.1 | -46.4 | 0 | 0 | 0 | 0 | 112.3 | A249 L250 H251 K257 V266 N269 I270 Y273 | A249-T253 WeakPolarHBondContact O-CB 3.4Å; A249-T253 PolarHBondContact O-N 2.8Å; A249-T253 PolarHBondContact O-OG1 2.8Å; L250-T253 PolarHBondContact O-N 3.13Å; H251-T253 VanDerWaalsContact C-N 3.32Å; H251-T253 PolarHBondContact O-N 3.25Å; T253-K257 WeakPolarHBondContact O-CB 3.45Å; T253-K257 PolarHBondContact O-N 2.83Å; T253-V266 HydrophobicContact CG2-CG2 4.39Å; T253-N269 HydrophobicContact CG2-CB 3.66Å; T253-I270 HydrophobicContact CG2-CD1 4.38Å; T253-I270 HydrophobicContact CG2-CG1 3.63Å; T253-Y273 VanDerWaalsContact OG1-CE2 3.29Å; T253-Y273 WeakPolarHBondContact OG1-CE2 3.29Å |
| 254 | L | 92.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.7 | -37.1 | 171.5 | -69.6 | 166.6 | 0 | 0 | 0 | 111.6 | L250 H251 K257 S258 I270 E285 | L250-L254 HydrophobicContact CD1-CD1 4.1Å; L250-L254 HydrophobicContact CD1-CG 4.15Å; L250-L254 HydrophobicContact CG-CD1 4Å; L250-L254 HydrophobicContact CG-CG 4.49Å; L250-L254 WeakPolarHBondContact O-CG 3.43Å; L250-L254 PolarHBondContact O-N 3.2Å; H251-L254 PolarHBondContact O-N 3.1Å; L254-K257 PolarHBondContact O-N 3.35Å; L254-S258 PolarHBondContact O-N 2.94Å; L254-S258 VanDerWaalsContact O-N 3.13Å; L254-I270 HydrophobicContact CD2-CD1 3.9Å; L254-I270 HydrophobicContact CD2-CG1 4.32Å; L254-E285 HydrophobicContact CD1-CB 4.08Å; L254-E285 HydrophobicContact CD1-CG 3.88Å |
| 255 | Q | 91.6 | Very high | 90.5 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 169.4 | -70 | -174.5 | -16.1 | 0 | 0 | 111.1 | L233 H251 Y252 K257 S258 L259 | L233-Q255 HydrophobicContact CD1-CB 3.94Å; L233-Q255 HydrophobicContact CD2-CB 4.15Å; H251-Q255 PolarHBondContact NE2-NE2 3.09Å; H251-Q255 PolarHBondContact O-N 3.49Å; Y252-Q255 PolarHBondContact O-N 3.49Å; Q255-K257 VanDerWaalsContact C-N 3.29Å; Q255-K257 PolarHBondContact O-N 3.48Å; Q255-S258 WeakPolarHBondContact O-CB 3.15Å; Q255-S258 PolarHBondContact O-N 3.01Å; Q255-S258 PolarHBondContact O-OG 3.42Å; Q255-L259 PolarHBondContact O-N 2.88Å |
| 256 | L | 91.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.4 | -43.1 | 175.7 | -176 | 61.9 | 0 | 0 | 0 | 112 | T230 L233 E234 Y252 S258 L259 D260 V266 | T230-L256 VanDerWaalsContact CB-CD1 3.48Å; T230-L256 HydrophobicContact CG2-CD1 3.77Å; T230-L256 WeakPolarHBondContact O-CD1 3.33Å; L233-L256 HydrophobicContact CB-CB 4.33Å; L233-L256 HydrophobicContact CB-CD1 4.33Å; E234-L256 HydrophobicContact CB-CD2 4.28Å; Y252-L256 WeakPolarHBondContact O-CB 3.23Å; Y252-L256 PolarHBondContact O-N 3.38Å; L256-S258 VanDerWaalsContact C-N 3.32Å; L256-S258 PolarHBondContact O-N 3.18Å; L256-L259 PolarHBondContact O-N 2.97Å; L256-D260 PolarHBondContact O-N 3.06Å; L256-V266 HydrophobicContact CB-CG2 4.09Å; L256-V266 HydrophobicContact CD2-CG2 3.59Å; L256-V266 HydrophobicContact CG-CG2 3.52Å |
| 257 | K | 91.2 | Very high | 90.1 | Very high | 99 Ų | 99 | 55.9 Ų | 55.9 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -34 | 174.2 | -177.1 | 178.4 | 163.6 | -164.9 | 0 | 113.9 | T253 L254 Q255 L259 V266 I270 | T253-K257 WeakPolarHBondContact O-CB 3.45Å; T253-K257 PolarHBondContact O-N 2.83Å; L254-K257 PolarHBondContact O-N 3.35Å; Q255-K257 VanDerWaalsContact C-N 3.29Å; Q255-K257 PolarHBondContact O-N 3.48Å; K257-L259 VanDerWaalsContact C-N 3.29Å; K257-V266 HydrophobicContact CB-CG1 3.5Å; K257-V266 VanDerWaalsContact CB-CG1 3.5Å; K257-V266 HydrophobicContact CD-CG1 4.17Å; K257-V266 HydrophobicContact CG-CG1 3.75Å; K257-I270 HydrophobicContact CB-CD1 4.06Å; K257-I270 HydrophobicContact CD-CD1 3.44Å; K257-I270 VanDerWaalsContact CD-CD1 3.44Å; K257-I270 HydrophobicContact CG-CD1 4.28Å |
| 258 | S | 90.7 | Very high | 90 | Very high | 92 Ų | 92 | 54 Ų | 54 | 64% | 0.643 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -74.9 | -22 | -179 | 72 | 0 | 0 | 0 | 0 | 113 | L254 Q255 L256 | L254-S258 PolarHBondContact O-N 2.94Å; L254-S258 VanDerWaalsContact O-N 3.13Å; Q255-S258 WeakPolarHBondContact O-CB 3.15Å; Q255-S258 PolarHBondContact O-N 3.01Å; Q255-S258 PolarHBondContact O-OG 3.42Å; L256-S258 VanDerWaalsContact C-N 3.32Å; L256-S258 PolarHBondContact O-N 3.18Å |
| 259 | L | 90.4 | Very high | 89.9 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -94.3 | -51.6 | 178.7 | -63.9 | 166.7 | 0 | 0 | 0 | 111.5 | E229 T230 L233 Q255 L256 K257 P261 | E229-L259 HydrophobicContact CB-CD1 3.94Å; E229-L259 HydrophobicContact CG-CD1 4.06Å; T230-L259 HydrophobicContact CG2-CB 3.58Å; T230-L259 HydrophobicContact CG2-CD1 4.24Å; L233-L259 HydrophobicContact CD1-CD1 3.56Å; Q255-L259 PolarHBondContact O-N 2.88Å; L256-L259 PolarHBondContact O-N 2.97Å; K257-L259 VanDerWaalsContact C-N 3.29Å; L259-P261 WeakPolarHBondContact O-CD 3.43Å |
| 260 | D | 88.9 | Confident | 89.8 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | trans | -119.5 | 93.5 | 170.7 | -179.5 | 11.9 | 0 | 0 | 0 | 111.7 | T230 L256 T262 H263 | T230-D260 HydrophobicContact CG2-CB 4.11Å; L256-D260 PolarHBondContact O-N 3.06Å; D260-T262 PolarHBondContact O-N 3.01Å; D260-T262 VanDerWaalsContact OD1-CA 3.26Å; D260-T262 WeakPolarHBondContact OD1-CA 3.08Å; D260-T262 WeakPolarHBondContact OD1-CB 3.32Å; D260-T262 PolarHBondContact OD1-N 2.95Å; D260-T262 PolarHBondContact OD1-OG1 2.8Å; D260-H263 HydrophobicContact CB-CB 4.06Å; D260-H263 VanDerWaalsContact CG-N 3.28Å; D260-H263 WeakPolarHBondContact O-CB 3.21Å; D260-H263 PolarHBondContact O-N 3.5Å; D260-H263 PolarHBondContact OD1-N 3.17Å; D260-H263 VanDerWaalsContact OD1-N 3.12Å; D260-H263 WeakPolarHBondContact OD2-CA 3.48Å; D260-H263 WeakPolarHBondContact OD2-CB 3.34Å; D260-H263 IonicContact OD2-CD2 3.19Å; D260-H263 IonicContact OD2-CG 2.66Å; D260-H263 PolarHBondContact OD2-N 2.95Å; D260-H263 VanDerWaalsContact OD2-N 3.17Å | ||
| 261 | P | 88.6 | Confident | 89.5 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.8 | 171.9 | -22 | 33.7 | 0 | 0 | 0 | 114.5 | L259 | L259-P261 WeakPolarHBondContact O-CD 3.43Š|
| 262 | T | 88.4 | Confident | 89.4 | Confident | 123 Ų | 123 | 64.5 Ų | 64.5 | 76% | 0.755 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -6.1 | 179.4 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | D260 | D260-T262 PolarHBondContact O-N 3.01Å; D260-T262 VanDerWaalsContact OD1-CA 3.26Å; D260-T262 WeakPolarHBondContact OD1-CA 3.08Å; D260-T262 WeakPolarHBondContact OD1-CB 3.32Å; D260-T262 PolarHBondContact OD1-N 2.95Å; D260-T262 PolarHBondContact OD1-OG1 2.8Å |
| 263 | H | 86.4 | Confident | 89.3 | Confident | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.153 | 34% | 0.343 | C | S | . | . | trans | -57.1 | 121.2 | -173.6 | -167.8 | -105.2 | 0 | 0 | 0 | 112.5 | E234 D260 R265 V266 | E234-H263 IonicContact OE1-CE1 2.69Å; E234-H263 PolarHBondContact OE1-CE1 3.07Å; E234-H263 VanDerWaalsContact OE1-CE1 3.27Å; E234-H263 IonicContact OE1-NE2 3.23Å; D260-H263 HydrophobicContact CB-CB 4.06Å; D260-H263 VanDerWaalsContact CG-N 3.28Å; D260-H263 WeakPolarHBondContact O-CB 3.21Å; D260-H263 PolarHBondContact O-N 3.5Å; D260-H263 PolarHBondContact OD1-N 3.17Å; D260-H263 VanDerWaalsContact OD1-N 3.12Å; D260-H263 WeakPolarHBondContact OD2-CA 3.48Å; D260-H263 WeakPolarHBondContact OD2-CB 3.34Å; D260-H263 IonicContact OD2-CD2 3.19Å; D260-H263 IonicContact OD2-CG 2.66Å; D260-H263 PolarHBondContact OD2-N 2.95Å; D260-H263 VanDerWaalsContact OD2-N 3.17Å; H263-R265 PolarHBondContact O-N 3.42Å; H263-V266 HydrophobicContact CB-CB 4.07Å; H263-V266 HydrophobicContact CB-CG2 3.71Å; H263-V266 PolarHBondContact O-N 2.77Å; H263-V266 VanDerWaalsContact O-N 3.09Å | ||
| 264 | P | 87.3 | Confident | 89.1 | Confident | 117 Ų | 117 | 66.8 Ų | 66.8 | 76% | 0.76 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23 | -165.4 | 23.5 | -34.9 | 0 | 0 | 0 | 114.3 | ||
| 265 | R | 87.4 | Confident | 88.8 | Confident | 120 Ų | 120 | 69 Ų | 69 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -17.7 | 178.9 | -74.8 | 179.8 | -86.3 | 162.7 | 0.7 | 114.2 | E234 H263 Q267 G268 N269 | E234-R265 VanDerWaalsContact CD-NH2 3.25Å; E234-R265 IonicContact OE1-CZ 3.25Å; E234-R265 IonicContact OE1-NE 2.63Å; E234-R265 PolarHBondContact OE1-NE 3.4Å; E234-R265 IonicContact OE1-NH1 3.42Å; E234-R265 PolarHBondContact OE1-NH1 2.9Å; E234-R265 IonicContact OE1-NH2 3.02Å; E234-R265 PolarHBondContact OE1-NH2 3.42Å; E234-R265 VanDerWaalsContact OE1-NH2 3.09Å; E234-R265 IonicContact OE2-CZ 3.62Å; E234-R265 IonicContact OE2-NH1 3.99Å; E234-R265 PolarHBondContact OE2-NH1 3.19Å; E234-R265 IonicContact OE2-NH2 2.87Å; E234-R265 PolarHBondContact OE2-NH2 2.97Å; H263-R265 PolarHBondContact O-N 3.42Å; R265-Q267 PolarHBondContact O-N 2.98Å; R265-G268 PolarHBondContact O-N 3.25Å; R265-N269 WeakPolarHBondContact O-CB 3.38Å; R265-N269 VanDerWaalsContact O-CG 3.22Å; R265-N269 PolarHBondContact O-N 3.26Å; R265-N269 PolarHBondContact O-OD1 3.21Å |
| 266 | V | 87.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.6 | -48.6 | -170.8 | 149.5 | 0 | 0 | 0 | 0 | 112.9 | T253 L256 K257 H263 G268 N269 I270 | T253-V266 HydrophobicContact CG2-CG2 4.39Å; L256-V266 HydrophobicContact CB-CG2 4.09Å; L256-V266 HydrophobicContact CD2-CG2 3.59Å; L256-V266 HydrophobicContact CG-CG2 3.52Å; K257-V266 HydrophobicContact CB-CG1 3.5Å; K257-V266 VanDerWaalsContact CB-CG1 3.5Å; K257-V266 HydrophobicContact CD-CG1 4.17Å; K257-V266 HydrophobicContact CG-CG1 3.75Å; H263-V266 HydrophobicContact CB-CB 4.07Å; H263-V266 HydrophobicContact CB-CG2 3.71Å; H263-V266 PolarHBondContact O-N 2.77Å; H263-V266 VanDerWaalsContact O-N 3.09Å; V266-G268 VanDerWaalsContact C-N 3.33Å; V266-G268 PolarHBondContact O-N 3.43Å; V266-N269 PolarHBondContact O-N 3.31Å; V266-I270 HydrophobicContact CG1-CD1 3.83Å; V266-I270 WeakPolarHBondContact O-CG1 3.45Å; V266-I270 PolarHBondContact O-N 3.38Å |
| 267 | Q | 86.5 | Confident | 88.3 | Confident | 147 Ų | 147 | 72.5 Ų | 72.5 | 69% | 0.687 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67 | -37.6 | -175.2 | -58.8 | -174.4 | 17 | 0 | 0 | 111.7 | R265 K271 | R265-Q267 PolarHBondContact O-N 2.98Å; Q267-K271 PolarHBondContact O-N 2.97Å |
| 268 | G | 88.4 | Confident | 87.9 | Confident | 46 Ų | 46 | 71 Ų | 71 | 47% | 0.474 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.8 | -46.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R265 V266 K271 F272 | R265-G268 PolarHBondContact O-N 3.25Å; V266-G268 VanDerWaalsContact C-N 3.33Å; V266-G268 PolarHBondContact O-N 3.43Å; G268-K271 PolarHBondContact O-N 3.37Å; G268-F272 VanDerWaalsContact O-CB 3.26Å; G268-F272 WeakPolarHBondContact O-CB 3.18Å; G268-F272 PolarHBondContact O-N 3.09Å |
| 269 | N | 90.1 | Very high | 87.1 | Confident | 37 Ų | 37 | 71.9 Ų | 71.9 | 20% | 0.198 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 179.8 | -72.8 | 0.4 | 0 | 0 | 0 | 112.3 | T253 R265 V266 F272 Y273 | T253-N269 HydrophobicContact CG2-CB 3.66Å; R265-N269 WeakPolarHBondContact O-CB 3.38Å; R265-N269 VanDerWaalsContact O-CG 3.22Å; R265-N269 PolarHBondContact O-N 3.26Å; R265-N269 PolarHBondContact O-OD1 3.21Å; V266-N269 PolarHBondContact O-N 3.31Å; N269-F272 PolarHBondContact O-N 2.71Å; N269-Y273 HydrophobicContact CB-CD2 4.44Å; N269-Y273 HydrophobicContact CB-CE2 4.02Å; N269-Y273 WeakPolarHBondContact O-CD2 3.27Å; N269-Y273 VanDerWaalsContact O-CG 3.3Å; N269-Y273 PolarHBondContact O-N 3.25Å |
| 270 | I | 89.3 | Confident | 86 | Confident | 16 Ų | 16 | 76.9 Ų | 76.9 | 8% | 0.082 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.4 | -51.6 | 176 | -72.4 | 168 | 0 | 0 | 0 | 110.1 | L250 T253 L254 K257 V266 F272 Y273 Q274 | L250-I270 HydrophobicContact CD1-CG1 4.47Å; L250-I270 HydrophobicContact CD1-CG2 4.15Å; T253-I270 HydrophobicContact CG2-CD1 4.38Å; T253-I270 HydrophobicContact CG2-CG1 3.63Å; L254-I270 HydrophobicContact CD2-CD1 3.9Å; L254-I270 HydrophobicContact CD2-CG1 4.32Å; K257-I270 HydrophobicContact CB-CD1 4.06Å; K257-I270 HydrophobicContact CD-CD1 3.44Å; K257-I270 VanDerWaalsContact CD-CD1 3.44Å; K257-I270 HydrophobicContact CG-CD1 4.28Å; V266-I270 HydrophobicContact CG1-CD1 3.83Å; V266-I270 WeakPolarHBondContact O-CG1 3.45Å; V266-I270 PolarHBondContact O-N 3.38Å; I270-F272 VanDerWaalsContact C-N 3.34Å; I270-F272 PolarHBondContact O-N 3.15Å; I270-Y273 PolarHBondContact O-N 2.94Å; I270-Q274 HydrophobicContact CG2-CG 4.37Å; I270-Q274 WeakPolarHBondContact O-CB 3.43Å; I270-Q274 VanDerWaalsContact O-CG 3.3Å; I270-Q274 WeakPolarHBondContact O-CG 3.32Å; I270-Q274 PolarHBondContact O-N 3.46Å |
| 271 | K | 87 | Confident | 84.9 | Confident | 126 Ų | 126 | 76.7 Ų | 76.7 | 55% | 0.548 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 177.8 | -174.8 | -176.5 | 175.9 | -167.6 | 0 | 110.8 | Q267 G268 Y273 Q274 D275 | Q267-K271 PolarHBondContact O-N 2.97Å; G268-K271 PolarHBondContact O-N 3.37Å; K271-Y273 VanDerWaalsContact C-N 3.33Å; K271-Y273 PolarHBondContact O-N 3.16Å; K271-Q274 PolarHBondContact O-N 2.92Å; K271-Q274 VanDerWaalsContact O-N 3.16Å; K271-D275 WeakPolarHBondContact CE-OD2 3.45Å; K271-D275 IonicContact NZ-OD2 2.65Å; K271-D275 WeakPolarHBondContact O-CB 3.39Å; K271-D275 PolarHBondContact O-N 3.28Å |
| 272 | F | 89.6 | Confident | 83.7 | Confident | 100 Ų | 100 | 79.7 Ų | 79.7 | 44% | 0.439 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | -178.7 | 179.9 | -100 | 0 | 0 | 0 | 113.1 | Y241 G268 N269 I270 A276 | Y241-F272 HydrophobicContact CD2-CE1 4.5Å; Y241-F272 AromaticContact CE1-CE1 3.91Å; Y241-F272 HydrophobicContact CE1-CE1 3.91Å; Y241-F272 HydrophobicContact CE1-CZ 4.41Å; Y241-F272 AromaticContact CE2-CE1 3.87Å; Y241-F272 HydrophobicContact CE2-CE1 3.87Å; Y241-F272 HydrophobicContact CE2-CZ 4.47Å; Y241-F272 AromaticContact CZ-CE1 3.55Å; Y241-F272 AromaticContact CZ-CZ 3.9Å; Y241-F272 WeakPolarHBondContact OH-CZ 3.25Å; G268-F272 VanDerWaalsContact O-CB 3.26Å; G268-F272 WeakPolarHBondContact O-CB 3.18Å; G268-F272 PolarHBondContact O-N 3.09Å; N269-F272 PolarHBondContact O-N 2.71Å; I270-F272 VanDerWaalsContact C-N 3.34Å; I270-F272 PolarHBondContact O-N 3.15Å; F272-A276 WeakPolarHBondContact O-CB 3.05Å; F272-A276 PolarHBondContact O-N 2.98Å |
| 273 | Y | 90.4 | Very high | 82.9 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.008 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -77.1 | -29.9 | 175.8 | -59.8 | -36.1 | 0 | 0 | 0 | 113.3 | Y241 V246 A249 T253 N269 I270 K271 L277 | Y241-Y273 HydrophobicContact CD1-CE1 4.08Å; Y241-Y273 AromaticContact CD2-CD1 3.84Å; Y241-Y273 HydrophobicContact CD2-CD1 3.84Å; Y241-Y273 AromaticContact CD2-CE1 3.58Å; Y241-Y273 HydrophobicContact CD2-CE1 3.58Å; Y241-Y273 HydrophobicContact CE2-CD1 4.45Å; Y241-Y273 HydrophobicContact CE2-CE1 4.32Å; Y241-Y273 HydrophobicContact CG-CD1 4.19Å; Y241-Y273 AromaticContact CG-CE1 3.45Å; Y241-Y273 HydrophobicContact CG-CE1 3.45Å; Y241-Y273 VanDerWaalsContact CG-CE1 3.45Å; V246-Y273 HydrophobicContact CG1-CD1 4.24Å; A249-Y273 HydrophobicContact CB-CD1 4.31Å; A249-Y273 HydrophobicContact CB-CD2 4Å; A249-Y273 HydrophobicContact CB-CE1 4.21Å; A249-Y273 HydrophobicContact CB-CE2 3.88Å; A249-Y273 HydrophobicContact CB-CG 4.23Å; T253-Y273 VanDerWaalsContact OG1-CE2 3.29Å; T253-Y273 WeakPolarHBondContact OG1-CE2 3.29Å; N269-Y273 HydrophobicContact CB-CD2 4.44Å; N269-Y273 HydrophobicContact CB-CE2 4.02Å; N269-Y273 WeakPolarHBondContact O-CD2 3.27Å; N269-Y273 VanDerWaalsContact O-CG 3.3Å; N269-Y273 PolarHBondContact O-N 3.25Å; I270-Y273 PolarHBondContact O-N 2.94Å; K271-Y273 VanDerWaalsContact C-N 3.33Å; K271-Y273 PolarHBondContact O-N 3.16Å; Y273-L277 WeakPolarHBondContact O-CB 3.46Å; Y273-L277 WeakPolarHBondContact O-CD1 3.14Å; Y273-L277 WeakPolarHBondContact O-CG 3.34Å; Y273-L277 PolarHBondContact O-N 3.33Å; Y273-L277 VanDerWaalsContact O-N 3.14Å |
| 274 | Q | 87.9 | Confident | 82.2 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 28% | 0.28 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.3 | -50.4 | 170.5 | -71 | -179.6 | -47.6 | 0 | 0 | 111 | L250 I270 K271 A276 L277 N278 V283 | L250-Q274 HydrophobicContact CD1-CG 4.04Å; L250-Q274 HydrophobicContact CD2-CG 4.01Å; I270-Q274 HydrophobicContact CG2-CG 4.37Å; I270-Q274 WeakPolarHBondContact O-CB 3.43Å; I270-Q274 VanDerWaalsContact O-CG 3.3Å; I270-Q274 WeakPolarHBondContact O-CG 3.32Å; I270-Q274 PolarHBondContact O-N 3.46Å; K271-Q274 PolarHBondContact O-N 2.92Å; K271-Q274 VanDerWaalsContact O-N 3.16Å; Q274-A276 PolarHBondContact O-N 3.42Å; Q274-L277 PolarHBondContact O-N 3.15Å; Q274-N278 PolarHBondContact O-N 3.37Å; Q274-V283 HydrophobicContact CB-CB 4.45Å; Q274-V283 HydrophobicContact CB-CG2 4.29Å; Q274-V283 HydrophobicContact CG-CB 4.2Å |
| 275 | D | 86 | Confident | 81.6 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56 | -36.5 | 174.5 | -67.3 | -6.1 | 0 | 0 | 0 | 111.1 | K271 P279 | K271-D275 WeakPolarHBondContact CE-OD2 3.45Å; K271-D275 IonicContact NZ-OD2 2.65Å; K271-D275 WeakPolarHBondContact O-CB 3.39Å; K271-D275 PolarHBondContact O-N 3.28Å; D275-P279 WeakPolarHBondContact O-CA 3.49Å; D275-P279 WeakPolarHBondContact O-CD 3.35Å; D275-P279 VanDerWaalsContact O-CG 3.3Å; D275-P279 WeakPolarHBondContact O-CG 3.47Å |
| 276 | A | 86 | Confident | 81.2 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -77.7 | -17.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | V246 F272 Q274 | V246-A276 HydrophobicContact CG1-CB 4.17Å; F272-A276 WeakPolarHBondContact O-CB 3.05Å; F272-A276 PolarHBondContact O-N 2.98Å; Q274-A276 PolarHBondContact O-N 3.42Å |
| 277 | L | 85.7 | Confident | 80.8 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 35% | 0.346 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -94.1 | -38.3 | 174.7 | -79.1 | 167.1 | 0 | 0 | 0 | 111.8 | V246 E247 L250 Y273 Q274 V283 | V246-L277 HydrophobicContact CB-CD2 3.95Å; V246-L277 HydrophobicContact CB-CG 4.1Å; V246-L277 HydrophobicContact CG1-CD1 4.21Å; V246-L277 HydrophobicContact CG1-CD2 4.2Å; V246-L277 HydrophobicContact CG1-CG 3.78Å; E247-L277 HydrophobicContact CG-CD1 4.47Å; E247-L277 HydrophobicContact CG-CD2 3.84Å; L250-L277 HydrophobicContact CB-CD1 4.39Å; L250-L277 HydrophobicContact CD2-CD1 3.85Å; Y273-L277 WeakPolarHBondContact O-CB 3.46Å; Y273-L277 WeakPolarHBondContact O-CD1 3.14Å; Y273-L277 WeakPolarHBondContact O-CG 3.34Å; Y273-L277 PolarHBondContact O-N 3.33Å; Y273-L277 VanDerWaalsContact O-N 3.14Å; Q274-L277 PolarHBondContact O-N 3.15Å; L277-V283 HydrophobicContact CB-CG1 4.3Å; L277-V283 HydrophobicContact CB-CG2 3.91Å; L277-V283 HydrophobicContact CD1-CG1 4.05Å |
| 278 | N | 83.3 | Confident | 80.3 | Confident | 67 Ų | 67 | 72.9 Ų | 72.9 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | trans | -152.6 | 99.8 | 173.7 | -176.6 | 5.2 | 0 | 0 | 0 | 110.7 | Q274 E280 G281 V283 | Q274-N278 PolarHBondContact O-N 3.37Å; N278-E280 PolarHBondContact O-N 3.31Å; N278-E280 VanDerWaalsContact O-N 3.1Å; N278-E280 PolarHBondContact OD1-N 3.44Å; N278-E280 VanDerWaalsContact OD1-N 3.13Å; N278-G281 WeakPolarHBondContact ND2-CA 3.37Å; N278-G281 PolarHBondContact ND2-N 2.96Å; N278-G281 PolarHBondContact OD1-N 2.68Å; N278-V283 HydrophobicContact CB-CG2 3.71Å | ||
| 279 | P | 73 | Confident | 80 | Confident | 110 Ų | 110 | 80.9 Ų | 80.9 | 71% | 0.714 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -16.8 | 178.8 | -21.9 | 30.8 | 0 | 0 | 0 | 115.1 | D275 | D275-P279 WeakPolarHBondContact O-CA 3.49Å; D275-P279 WeakPolarHBondContact O-CD 3.35Å; D275-P279 VanDerWaalsContact O-CG 3.3Å; D275-P279 WeakPolarHBondContact O-CG 3.47Å |
| 280 | E | 68.6 | Low | 79.6 | Confident | 189 Ų | 189 | 84.9 Ų | 84.9 | 88% | 0.883 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 6 | -169.3 | -60.6 | -172.1 | 171.8 | 0 | 0 | 113.8 | N278 | N278-E280 PolarHBondContact O-N 3.31Å; N278-E280 VanDerWaalsContact O-N 3.1Å; N278-E280 PolarHBondContact OD1-N 3.44Å; N278-E280 VanDerWaalsContact OD1-N 3.13Å |
| 281 | G | 65.6 | Low | 79.3 | Confident | 36 Ų | 36 | 85.4 Ų | 85.4 | 37% | 0.371 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -167.6 | 164 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | N278 V283 | N278-G281 WeakPolarHBondContact ND2-CA 3.37Å; N278-G281 PolarHBondContact ND2-N 2.96Å; N278-G281 PolarHBondContact OD1-N 2.68Å; G281-V283 PolarHBondContact O-N 2.83Å |
| 282 | T | 63.9 | Low | 79.1 | Confident | 148 Ų | 148 | 82.7 Ų | 82.7 | 91% | 0.908 | 46% | 0.462 | S | S | * | . | trans | -66.4 | 111.8 | -179.1 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 283 | V | 69.8 | Low | 78.8 | Confident | 34 Ų | 34 | 89 Ų | 89 | 21% | 0.206 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -76 | 125.4 | 171.7 | -177 | 0 | 0 | 0 | 0 | 109.4 | L250 Q274 L277 N278 G281 | L250-V283 HydrophobicContact CD2-CG1 4Å; Q274-V283 HydrophobicContact CB-CB 4.45Å; Q274-V283 HydrophobicContact CB-CG2 4.29Å; Q274-V283 HydrophobicContact CG-CB 4.2Å; L277-V283 HydrophobicContact CB-CG1 4.3Å; L277-V283 HydrophobicContact CB-CG2 3.91Å; L277-V283 HydrophobicContact CD1-CG1 4.05Å; N278-V283 HydrophobicContact CB-CG2 3.71Å; G281-V283 PolarHBondContact O-N 2.83Å |
| 284 | A | 72.1 | Confident | 78.4 | Confident | 84 Ų | 84 | 91.6 Ų | 91.6 | 69% | 0.694 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -68 | 153.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 285 | E | 75.9 | Confident | 78.3 | Confident | 148 Ų | 148 | 94.9 Ų | 94.9 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 127.2 | 179.3 | -62.8 | -169.6 | 157.5 | 0 | 0 | 110.8 | L254 D287 | L254-E285 HydrophobicContact CD1-CB 4.08Å; L254-E285 HydrophobicContact CD1-CG 3.88Å; E285-D287 PolarHBondContact O-N 3.18Å |
| 286 | P | 78 | Confident | 78.4 | Confident | 22 Ų | 22 | 93.7 Ų | 93.7 | 14% | 0.143 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 119.8 | -173 | 26.3 | -33.8 | 0 | 0 | 0 | 112.7 | E247 L250 H251 P288 L291 | E247-P286 WeakPolarHBondContact O-CG 3.1Å; L250-P286 HydrophobicContact CB-CG 4.4Å; L250-P286 HydrophobicContact CD2-CG 4.37Å; L250-P286 HydrophobicContact CG-CG 4.25Å; H251-P286 HydrophobicContact CB-CG 3.91Å; H251-P286 PolarHBondContact ND1-O 3.48Å; H251-P286 VanDerWaalsContact ND1-O 3.1Å; P286-P288 WeakPolarHBondContact O-CD 3.36Å; P286-L291 HydrophobicContact CB-CD1 4.25Å; P286-L291 HydrophobicContact CB-CD2 3.96Å; P286-L291 HydrophobicContact CB-CG 4.44Å |
| 287 | D | 79.5 | Confident | 78.3 | Confident | 55 Ų | 55 | 98.5 Ų | 98.5 | 29% | 0.294 | 52% | 0.518 | S | S | . | . | trans | -76.2 | 114.1 | 173 | -173.1 | -25.8 | 0 | 0 | 0 | 110.6 | E285 R289 V290 L291 | E285-D287 PolarHBondContact O-N 3.18Å; D287-R289 PolarHBondContact O-N 2.95Å; D287-R289 VanDerWaalsContact OD1-CB 3.24Å; D287-R289 WeakPolarHBondContact OD1-CB 3.3Å; D287-R289 WeakPolarHBondContact OD1-CG 3.47Å; D287-R289 IonicContact OD1-CZ 3.86Å; D287-R289 PolarHBondContact OD1-N 2.86Å; D287-R289 IonicContact OD1-NE 3.63Å; D287-R289 PolarHBondContact OD1-NE 3.23Å; D287-R289 IonicContact OD1-NH2 3.71Å; D287-R289 IonicContact OD2-CZ 2.63Å; D287-R289 IonicContact OD2-NE 3Å; D287-R289 PolarHBondContact OD2-NE 3.29Å; D287-R289 IonicContact OD2-NH2 2.68Å; D287-R289 PolarHBondContact OD2-NH2 2.73Å; D287-V290 HydrophobicContact CB-CG2 4.18Å; D287-V290 PolarHBondContact O-N 3.28Å; D287-L291 PolarHBondContact O-N 3.5Å | ||
| 288 | P | 77.4 | Confident | 78 | Confident | 55 Ų | 55 | 98.7 Ų | 98.7 | 36% | 0.357 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.6 | -174.8 | 30.1 | -37.1 | 0 | 0 | 0 | 113.2 | W248 H251 P286 V290 | W248-P288 HydrophobicContact CH2-CB 3.86Å; W248-P288 HydrophobicContact CZ3-CB 3.92Å; H251-P288 VanDerWaalsContact CE1-CD 3.45Å; H251-P288 WeakPolarHBondContact CE1-CD 3.44Å; H251-P288 VanDerWaalsContact CE1-CG 3.44Å; H251-P288 WeakPolarHBondContact CE1-CG 3.18Å; P286-P288 WeakPolarHBondContact O-CD 3.36Å; P288-V290 VanDerWaalsContact C-N 3.29Å |
| 289 | R | 80.4 | Confident | 77.4 | Confident | 215 Ų | 215 | 98.8 Ų | 98.8 | 81% | 0.811 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.4 | 175.2 | -57.4 | 170.7 | -68.6 | -168.8 | 1.9 | 112.9 | D287 | D287-R289 PolarHBondContact O-N 2.95Å; D287-R289 VanDerWaalsContact OD1-CB 3.24Å; D287-R289 WeakPolarHBondContact OD1-CB 3.3Å; D287-R289 WeakPolarHBondContact OD1-CG 3.47Å; D287-R289 IonicContact OD1-CZ 3.86Å; D287-R289 PolarHBondContact OD1-N 2.86Å; D287-R289 IonicContact OD1-NE 3.63Å; D287-R289 PolarHBondContact OD1-NE 3.23Å; D287-R289 IonicContact OD1-NH2 3.71Å; D287-R289 IonicContact OD2-CZ 2.63Å; D287-R289 IonicContact OD2-NE 3Å; D287-R289 PolarHBondContact OD2-NE 3.29Å; D287-R289 IonicContact OD2-NH2 2.68Å; D287-R289 PolarHBondContact OD2-NH2 2.73Å |
| 290 | V | 82.7 | Confident | 76.9 | Confident | 121 Ų | 121 | 101 Ų | 101 | 73% | 0.733 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -20.5 | -177.9 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | D287 P288 | D287-V290 HydrophobicContact CB-CG2 4.18Å; D287-V290 PolarHBondContact O-N 3.28Å; P288-V290 VanDerWaalsContact C-N 3.29Å |
| 291 | L | 81.8 | Confident | 76.3 | Confident | 27 Ų | 27 | 95 Ų | 95 | 14% | 0.141 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -59.8 | 141.5 | 179.5 | -67.5 | -173 | 0 | 0 | 0 | 113.2 | E247 W248 P286 D287 | E247-L291 HydrophobicContact CB-CD1 4.32Å; E247-L291 HydrophobicContact CB-CD2 3.62Å; E247-L291 HydrophobicContact CG-CD2 4.26Å; W248-L291 HydrophobicContact CD2-CD1 3.54Å; W248-L291 HydrophobicContact CE3-CD1 3.89Å; W248-L291 HydrophobicContact CG-CD1 3.93Å; W248-L291 HydrophobicContact CH2-CB 4.35Å; W248-L291 HydrophobicContact CH2-CD1 4.19Å; W248-L291 HydrophobicContact CZ2-CB 3.55Å; W248-L291 HydrophobicContact CZ2-CD1 3.89Å; W248-L291 HydrophobicContact CZ2-CG 4.34Å; W248-L291 HydrophobicContact CZ3-CD1 4.2Å; P286-L291 HydrophobicContact CB-CD1 4.25Å; P286-L291 HydrophobicContact CB-CD2 3.96Å; P286-L291 HydrophobicContact CB-CG 4.44Å; D287-L291 PolarHBondContact O-N 3.5Å |
| 292 | S | 82.8 | Confident | 75.6 | Confident | 68 Ų | 68 | 101.9 Ų | 101.9 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 149.8 | 172.2 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | W248 | W248-S292 PolarHBondContact NE1-O 2.96Š|
| 293 | R | 83.4 | Confident | 75.1 | Confident | 234 Ų | 234 | 97.7 Ų | 97.7 | 88% | 0.883 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -56 | 128.4 | 177.1 | -71.6 | -174.4 | 177.9 | -172.5 | -1.3 | 109.7 | K295 | R293-K295 PolarHBondContact O-N 2.9Š|
| 294 | P | 83.5 | Confident | 74.8 | Confident | 56 Ų | 56 | 98 Ų | 98 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 134.9 | -174.6 | 23.6 | -33.1 | 0 | 0 | 0 | 111 | M240 N245 N296 | M240-P294 HydrophobicContact CE-CB 3.76Å; M240-P294 HydrophobicContact CE-CG 3.88Å; M240-P294 HydrophobicContact SD-CB 3.75Å; N245-P294 HydrophobicContact CB-CB 4.43Å; P294-N296 PolarHBondContact O-N 3.36Å |
| 295 | K | 86 | Confident | 74.4 | Confident | 128 Ų | 128 | 99.6 Ų | 99.6 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 124.4 | 173.8 | -62.5 | 157.6 | -170.4 | 156.9 | 0 | 107.2 | Q243 N245 R293 | Q243-K295 WeakPolarHBondContact CB-O 3.37Å; N245-K295 PolarHBondContact ND2-N 3.42Å; N245-K295 PolarHBondContact ND2-O 3.47Å; N245-K295 PolarHBondContact OD1-N 3.4Å; R293-K295 PolarHBondContact O-N 2.9Å |
| 296 | N | 88 | Confident | 74.3 | Confident | 50 Ų | 50 | 96 Ų | 96 | 27% | 0.267 | 50% | 0.497 | S | S | . | . | trans | -126.7 | 111.1 | 170.2 | -165.3 | 8.9 | 0 | 0 | 0 | 109.2 | Y206 L209 Q243 P294 | Y206-N296 VanDerWaalsContact CA-OD1 3.31Å; Y206-N296 WeakPolarHBondContact CA-OD1 3.07Å; Y206-N296 HydrophobicContact CD2-CB 4.44Å; Y206-N296 VanDerWaalsContact CD2-CG 3.5Å; Y206-N296 VanDerWaalsContact CD2-OD1 3.29Å; Y206-N296 WeakPolarHBondContact CD2-OD1 3.25Å; Y206-N296 PolarHBondContact O-ND2 3.36Å; L209-N296 HydrophobicContact CD1-CB 4.29Å; Q243-N296 PolarHBondContact NE2-OD1 3.4Å; Q243-N296 VanDerWaalsContact NE2-OD1 3.09Å; P294-N296 PolarHBondContact O-N 3.36Å | ||
| 297 | K | 83 | Confident | 74.2 | Confident | 155 Ų | 155 | 97.3 Ų | 97.3 | 67% | 0.674 | 50% | 0.499 | S | S | * | . | trans | -108.4 | 126 | -178.4 | -68.1 | -175.5 | 178.3 | -177.7 | 0 | 110.4 | Q243 | Q243-K297 PolarHBondContact NE2-O 2.65Š| ||
| 298 | R | 79.3 | Confident | 74.4 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 26% | 0.264 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 138.6 | 166.4 | -167.5 | -176.6 | -169.8 | -152.2 | 7.8 | 109 | D164 Y206 E311 | D164-R298 VanDerWaalsContact CB-NH2 3.25Å; D164-R298 VanDerWaalsContact CG-CZ 3.47Å; D164-R298 IonicContact OD1-CZ 3.87Å; D164-R298 IonicContact OD1-NE 3.07Å; D164-R298 PolarHBondContact OD1-NE 2.94Å; D164-R298 IonicContact OD1-NH2 2.67Å; D164-R298 PolarHBondContact OD1-NH2 3.45Å; D164-R298 IonicContact OD2-CZ 2.67Å; D164-R298 VanDerWaalsContact OD2-CZ 3.27Å; D164-R298 IonicContact OD2-NE 2.91Å; D164-R298 PolarHBondContact OD2-NE 2.63Å; D164-R298 IonicContact OD2-NH2 4Å; D164-R298 PolarHBondContact OD2-NH2 2.9Å; Y206-R298 HydrophobicContact CD1-CB 4.49Å; Y206-R298 HydrophobicContact CD1-CG 4.46Å; Y206-R298 HydrophobicContact CD2-CB 4.27Å; Y206-R298 HydrophobicContact CE2-CB 4.38Å; Y206-R298 HydrophobicContact CG-CB 4.35Å; R298-E311 IonicContact CZ-OE1 2.73Å; R298-E311 VanDerWaalsContact CZ-OE1 3.29Å; R298-E311 IonicContact NH1-OE1 2.77Å; R298-E311 PolarHBondContact NH1-OE1 3.35Å; R298-E311 IonicContact NH1-OE2 2.69Å; R298-E311 PolarHBondContact NH1-OE2 2.98Å; R298-E311 IonicContact NH2-OE1 3.9Å; R298-E311 PolarHBondContact NH2-OE1 3.09Å; R298-E311 IonicContact NH2-OE2 3.22Å |
| 299 | P | 70.6 | Confident | 74.8 | Confident | 69 Ų | 69 | 99.2 Ų | 99.2 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 139.1 | 176 | -26.6 | 35.2 | 0 | 0 | 0 | 112.1 | ||
| 300 | I | 63.3 | Low | 75.1 | Confident | 158 Ų | 158 | 89.3 Ų | 89.3 | 81% | 0.81 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 129.5 | 168.3 | -61.4 | 173.7 | 0 | 0 | 0 | 107 | ||
| 301 | D | 55.1 | Low | 75.3 | Confident | 61 Ų | 61 | 84 Ų | 84 | 33% | 0.326 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 139.8 | -177.7 | -151.4 | -56.7 | 0 | 0 | 0 | 111.7 | G303 I304 R307 | D301-G303 PolarHBondContact OD1-N 3.12Å; D301-I304 PolarHBondContact OD1-N 3.24Å; D301-R307 WeakPolarHBondContact OD2-CD 3.07Å; D301-R307 IonicContact OD2-CZ 2.9Å; D301-R307 IonicContact OD2-NE 3.78Å; D301-R307 IonicContact OD2-NH1 3.06Å; D301-R307 PolarHBondContact OD2-NH1 3.17Å |
| 302 | L | 50.6 | Low | 75.7 | Confident | 181 Ų | 181 | 83 Ų | 83 | 95% | 0.948 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -101 | -5.4 | 179.6 | -73.4 | 168.6 | 0 | 0 | 0 | 113.1 | ||
| 303 | G | 54.9 | Low | 76 | Confident | 61 Ų | 61 | 79.8 Ų | 79.8 | 63% | 0.629 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -129.3 | -29.4 | -170 | 0 | 0 | 0 | 0 | 0 | 117.5 | D301 P305 | D301-G303 PolarHBondContact OD1-N 3.12Å; G303-P305 WeakPolarHBondContact O-CD 3.44Å |
| 304 | I | 61.8 | Low | 76.2 | Confident | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.205 | 37% | 0.37 | C | S | . | . | trans | -121.4 | 98.3 | -167.4 | -48.8 | 176.7 | 0 | 0 | 0 | 112.3 | D301 E306 R307 D445 P446 | D301-I304 PolarHBondContact OD1-N 3.24Å; I304-E306 PolarHBondContact O-N 2.77Å; I304-R307 HydrophobicContact CB-CB 4.37Å; I304-R307 HydrophobicContact CG2-CB 4.38Å; I304-R307 PolarHBondContact O-N 2.88Å; I304-D445 HydrophobicContact CD1-CB 3.91Å; I304-D445 WeakPolarHBondContact CD1-OD2 3.24Å; I304-P446 HydrophobicContact CG2-CG 4.26Å | ||
| 305 | P | 65.1 | Low | 76.5 | Confident | 118 Ų | 118 | 68.9 Ų | 68.9 | 77% | 0.766 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31.1 | 176.7 | -23.1 | 33.6 | 0 | 0 | 0 | 113.8 | G303 | G303-P305 WeakPolarHBondContact O-CD 3.44Š|
| 306 | E | 73 | Confident | 76.4 | Confident | 71 Ų | 71 | 68.1 Ų | 68.1 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 4.6 | -177.2 | -62.3 | 70.4 | -155.3 | 0 | 0 | 114.1 | I304 D308 T309 Y310 T487 | I304-E306 PolarHBondContact O-N 2.77Å; E306-D308 PolarHBondContact O-N 2.99Å; E306-T309 CarbonylContact O-C 3.41Å; E306-T309 WeakPolarHBondContact O-CA 3.41Å; E306-T309 WeakPolarHBondContact O-CB 3.1Å; E306-T309 PolarHBondContact O-N 3.43Å; E306-Y310 PolarHBondContact O-N 2.83Å; E306-T487 HydrophobicContact CB-CG2 4.37Å |
| 307 | R | 77.1 | Confident | 76.4 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 19% | 0.189 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -46.7 | -52.3 | -170.1 | -172.7 | -173.6 | -171.4 | 154.3 | -3.9 | 113.3 | D164 D301 I304 T309 Y310 E311 | D164-R307 IonicContact OD2-NH2 2.65Å; D164-R307 PolarHBondContact OD2-NH2 3.29Å; D301-R307 WeakPolarHBondContact OD2-CD 3.07Å; D301-R307 IonicContact OD2-CZ 2.9Å; D301-R307 IonicContact OD2-NE 3.78Å; D301-R307 IonicContact OD2-NH1 3.06Å; D301-R307 PolarHBondContact OD2-NH1 3.17Å; I304-R307 HydrophobicContact CB-CB 4.37Å; I304-R307 HydrophobicContact CG2-CB 4.38Å; I304-R307 PolarHBondContact O-N 2.88Å; R307-T309 VanDerWaalsContact C-N 3.26Å; R307-T309 PolarHBondContact O-N 2.88Å; R307-Y310 PolarHBondContact O-N 3.1Å; R307-Y310 VanDerWaalsContact O-N 3.15Å; R307-E311 HydrophobicContact CG-CG 4.28Å; R307-E311 IonicContact CZ-OE1 3.12Å; R307-E311 IonicContact NE-OE1 2.68Å; R307-E311 PolarHBondContact NE-OE1 3.42Å; R307-E311 IonicContact NH2-OE1 2.65Å; R307-E311 WeakPolarHBondContact O-CG 3.44Å; R307-E311 PolarHBondContact O-N 3.16Å |
| 308 | D | 82 | Confident | 76.4 | Confident | 125 Ų | 125 | 67.9 Ų | 67.9 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.5 | -34.7 | 179.8 | -71.6 | -22 | 0 | 0 | 0 | 112.7 | E306 A312 | E306-D308 PolarHBondContact O-N 2.99Å; D308-A312 WeakPolarHBondContact O-CB 3.37Å; D308-A312 PolarHBondContact O-N 2.84Å; D308-A312 VanDerWaalsContact O-N 3.12Å |
| 309 | T | 86 | Confident | 76.2 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 15% | 0.153 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -74.9 | -39.8 | 175.7 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | E306 R307 L313 Y318 K490 | E306-T309 CarbonylContact O-C 3.41Å; E306-T309 WeakPolarHBondContact O-CA 3.41Å; E306-T309 WeakPolarHBondContact O-CB 3.1Å; E306-T309 PolarHBondContact O-N 3.43Å; R307-T309 VanDerWaalsContact C-N 3.26Å; R307-T309 PolarHBondContact O-N 2.88Å; T309-L313 HydrophobicContact CG2-CD1 3.86Å; T309-L313 HydrophobicContact CG2-CG 4.47Å; T309-L313 WeakPolarHBondContact O-CB 3.33Å; T309-L313 WeakPolarHBondContact O-CD1 3.37Å; T309-L313 WeakPolarHBondContact O-CG 3.47Å; T309-L313 PolarHBondContact O-N 3.01Å; T309-Y318 HydrophobicContact CG2-CE2 4.22Å; T309-K490 HydrophobicContact CG2-CD 4.06Å; T309-K490 HydrophobicContact CG2-CG 4.01Å; T309-K490 PolarHBondContact OG1-NZ 3.4Å |
| 310 | Y | 86.9 | Confident | 76.5 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.6 | -54.7 | 174 | 165.9 | -103.6 | 0 | 0 | 0 | 111.2 | E306 R307 A312 L313 C314 P446 V485 A519 A520 | E306-Y310 PolarHBondContact O-N 2.83Å; R307-Y310 PolarHBondContact O-N 3.1Å; R307-Y310 VanDerWaalsContact O-N 3.15Å; Y310-A312 VanDerWaalsContact C-N 3.27Å; Y310-A312 PolarHBondContact O-N 3.46Å; Y310-L313 PolarHBondContact O-N 3.15Å; Y310-L313 VanDerWaalsContact O-N 3.16Å; Y310-C314 PolarHBondContact O-N 3.13Å; Y310-C314 PolarHBondContact O-SG 2.84Å; Y310-P446 HydrophobicContact CD2-CG 4.49Å; Y310-V485 HydrophobicContact CD2-CG2 3.77Å; Y310-V485 HydrophobicContact CE2-CG2 4.13Å; Y310-A519 HydrophobicContact CD2-CB 3.62Å; Y310-A519 HydrophobicContact CE2-CB 3.49Å; Y310-A519 VanDerWaalsContact CE2-CB 3.49Å; Y310-A520 PolarHBondContact OH-O 3.42Å |
| 311 | E | 87.7 | Confident | 77.5 | Confident | 8 Ų | 8 | 74.3 Ų | 74.3 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62 | -36.9 | -179.6 | -62.8 | -175.9 | -172.9 | 0 | 0 | 111.9 | V165 R298 R307 C314 R315 | V165-E311 HydrophobicContact CG1-CG 4.46Å; V165-E311 HydrophobicContact CG2-CG 4.29Å; R298-E311 IonicContact CZ-OE1 2.73Å; R298-E311 VanDerWaalsContact CZ-OE1 3.29Å; R298-E311 IonicContact NH1-OE1 2.77Å; R298-E311 PolarHBondContact NH1-OE1 3.35Å; R298-E311 IonicContact NH1-OE2 2.69Å; R298-E311 PolarHBondContact NH1-OE2 2.98Å; R298-E311 IonicContact NH2-OE1 3.9Å; R298-E311 PolarHBondContact NH2-OE1 3.09Å; R298-E311 IonicContact NH2-OE2 3.22Å; R307-E311 HydrophobicContact CG-CG 4.28Å; R307-E311 IonicContact CZ-OE1 3.12Å; R307-E311 IonicContact NE-OE1 2.68Å; R307-E311 PolarHBondContact NE-OE1 3.42Å; R307-E311 IonicContact NH2-OE1 2.65Å; R307-E311 WeakPolarHBondContact O-CG 3.44Å; R307-E311 PolarHBondContact O-N 3.16Å; E311-C314 PolarHBondContact O-N 2.7Å; E311-R315 WeakPolarHBondContact O-CG 3.47Å; E311-R315 PolarHBondContact O-N 3.44Å; E311-R315 IonicContact OE2-NH1 3.9Å; E311-R315 PolarHBondContact OE2-NH1 3.16Å |
| 312 | A | 88.8 | Confident | 78.8 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 5% | 0.05 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D308 Y310 C314 R315 N316 E317 Y318 | D308-A312 WeakPolarHBondContact O-CB 3.37Å; D308-A312 PolarHBondContact O-N 2.84Å; D308-A312 VanDerWaalsContact O-N 3.12Å; Y310-A312 VanDerWaalsContact C-N 3.27Å; Y310-A312 PolarHBondContact O-N 3.46Å; A312-C314 VanDerWaalsContact C-N 3.29Å; A312-C314 PolarHBondContact O-N 2.8Å; A312-R315 CarbonylContact O-C 3.51Å; A312-R315 PolarHBondContact O-N 3.03Å; A312-N316 PolarHBondContact O-N 2.77Å; A312-N316 VanDerWaalsContact O-N 3.09Å; A312-E317 WeakPolarHBondContact CA-OE2 3.42Å; A312-E317 HydrophobicContact CB-CB 4.06Å; A312-E317 WeakPolarHBondContact CB-OE2 3.42Å; A312-E317 WeakPolarHBondContact O-CB 3.27Å; A312-E317 PolarHBondContact O-N 3.48Å; A312-Y318 HydrophobicContact CB-CD2 4.19Å; A312-Y318 HydrophobicContact CB-CE2 3.62Å |
| 313 | L | 89.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.5 | -38 | 172.8 | -71.5 | 162.7 | 0 | 0 | 0 | 111.4 | T309 Y310 R315 N316 Y318 V485 T487 K490 T492 | T309-L313 HydrophobicContact CG2-CD1 3.86Å; T309-L313 HydrophobicContact CG2-CG 4.47Å; T309-L313 WeakPolarHBondContact O-CB 3.33Å; T309-L313 WeakPolarHBondContact O-CD1 3.37Å; T309-L313 WeakPolarHBondContact O-CG 3.47Å; T309-L313 PolarHBondContact O-N 3.01Å; Y310-L313 PolarHBondContact O-N 3.15Å; Y310-L313 VanDerWaalsContact O-N 3.16Å; L313-R315 VanDerWaalsContact C-N 3.27Å; L313-R315 PolarHBondContact O-N 2.92Å; L313-N316 PolarHBondContact O-N 3.39Å; L313-Y318 HydrophobicContact CD2-CD2 3.64Å; L313-Y318 HydrophobicContact CD2-CG 4.22Å; L313-Y318 HydrophobicContact CG-CD2 3.8Å; L313-Y318 HydrophobicContact CG-CE2 4.25Å; L313-V485 HydrophobicContact CB-CB 3.96Å; L313-V485 HydrophobicContact CB-CG1 3.77Å; L313-V485 HydrophobicContact CB-CG2 4.36Å; L313-V485 HydrophobicContact CD1-CB 4.16Å; L313-T487 HydrophobicContact CD1-CG2 4.49Å; L313-K490 HydrophobicContact CD2-CB 4.14Å; L313-T492 PolarHBondContact O-OG1 3.43Å |
| 314 | C | 88.5 | Confident | 81.5 | Confident | 8 Ų | 8 | 79 Ų | 79 | 5% | 0.054 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.5 | -18.7 | 175.9 | -62.9 | 0 | 0 | 0 | 0 | 114.6 | V165 Y166 Y310 E311 A312 C521 | V165-C314 HydrophobicContact CG1-CB 4.18Å; Y166-C314 WeakPolarHBondContact CE1-O 3.07Å; Y310-C314 PolarHBondContact O-N 3.13Å; Y310-C314 PolarHBondContact O-SG 2.84Å; E311-C314 PolarHBondContact O-N 2.7Å; A312-C314 VanDerWaalsContact C-N 3.29Å; A312-C314 PolarHBondContact O-N 2.8Å; C314-C521 WeakPolarHBondContact CA-SG 3.33Å; C314-C521 HydrophobicContact CB-CB 3.67Å; C314-C521 WeakPolarHBondContact CB-SG 3.46Å; C314-C521 WeakPolarHBondContact SG-CA 3.28Å; C314-C521 WeakPolarHBondContact SG-CB 3.19Å; C314-C521 CovalentContact SG-SG 2.03Å; C314-C521 PolarHBondContact SG-SG 2.9Å |
| 315 | R | 88.5 | Confident | 82.5 | Confident | 53 Ų | 53 | 85.6 Ų | 85.6 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 0.4 | 168.2 | -67.2 | -174.7 | -59.3 | -93.5 | -10.3 | 113.4 | V165 Y166 E311 A312 L313 E317 | V165-R315 WeakPolarHBondContact O-CD 3.43Å; V165-R315 PolarHBondContact O-NH1 2.93Å; Y166-R315 HydrophobicContact CD1-CG 4.35Å; E311-R315 WeakPolarHBondContact O-CG 3.47Å; E311-R315 PolarHBondContact O-N 3.44Å; E311-R315 IonicContact OE2-NH1 3.9Å; E311-R315 PolarHBondContact OE2-NH1 3.16Å; A312-R315 CarbonylContact O-C 3.51Å; A312-R315 PolarHBondContact O-N 3.03Å; L313-R315 VanDerWaalsContact C-N 3.27Å; L313-R315 PolarHBondContact O-N 2.92Å; R315-E317 HydrophobicContact CB-CG 3.87Å; R315-E317 IonicContact CZ-OE1 3.51Å; R315-E317 IonicContact CZ-OE2 3.11Å; R315-E317 VanDerWaalsContact NE-CD 3.26Å; R315-E317 IonicContact NE-OE1 3.17Å; R315-E317 PolarHBondContact NE-OE1 3.45Å; R315-E317 IonicContact NE-OE2 3.5Å; R315-E317 PolarHBondContact NE-OE2 3.37Å; R315-E317 IonicContact NH2-OE1 2.68Å; R315-E317 IonicContact NH2-OE2 2.65Å; R315-E317 PolarHBondContact NH2-OE2 3.34Å |
| 316 | N | 84.4 | Confident | 83.5 | Confident | 113 Ų | 113 | 84.1 Ų | 84.1 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 37.8 | -173.6 | -55.8 | -61 | 0 | 0 | 0 | 114.4 | A312 L313 Y318 | A312-N316 PolarHBondContact O-N 2.77Å; A312-N316 VanDerWaalsContact O-N 3.09Å; L313-N316 PolarHBondContact O-N 3.39Å; N316-Y318 PolarHBondContact O-N 3.37Å |
| 317 | E | 87.1 | Confident | 84 | Confident | 106 Ų | 106 | 85.5 Ų | 85.5 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | trans | -80.9 | 9.4 | -179 | -65 | 171.7 | 167.7 | 0 | 0 | 113.9 | A312 R315 | A312-E317 WeakPolarHBondContact CA-OE2 3.42Å; A312-E317 HydrophobicContact CB-CB 4.06Å; A312-E317 WeakPolarHBondContact CB-OE2 3.42Å; A312-E317 WeakPolarHBondContact O-CB 3.27Å; A312-E317 PolarHBondContact O-N 3.48Å; R315-E317 HydrophobicContact CB-CG 3.87Å; R315-E317 IonicContact CZ-OE1 3.51Å; R315-E317 IonicContact CZ-OE2 3.11Å; R315-E317 VanDerWaalsContact NE-CD 3.26Å; R315-E317 IonicContact NE-OE1 3.17Å; R315-E317 PolarHBondContact NE-OE1 3.45Å; R315-E317 IonicContact NE-OE2 3.5Å; R315-E317 PolarHBondContact NE-OE2 3.37Å; R315-E317 IonicContact NH2-OE1 2.68Å; R315-E317 IonicContact NH2-OE2 2.65Å; R315-E317 PolarHBondContact NH2-OE2 3.34Å | ||
| 318 | Y | 83.2 | Confident | 84.5 | Confident | 94 Ų | 94 | 85.5 Ų | 85.5 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | trans | -130.7 | 134.8 | 179.4 | -70.7 | -74.2 | 0 | 0 | 0 | 112.7 | T309 A312 L313 N316 K490 | T309-Y318 HydrophobicContact CG2-CE2 4.22Å; A312-Y318 HydrophobicContact CB-CD2 4.19Å; A312-Y318 HydrophobicContact CB-CE2 3.62Å; L313-Y318 HydrophobicContact CD2-CD2 3.64Å; L313-Y318 HydrophobicContact CD2-CG 4.22Å; L313-Y318 HydrophobicContact CG-CD2 3.8Å; L313-Y318 HydrophobicContact CG-CE2 4.25Å; N316-Y318 PolarHBondContact O-N 3.37Å; Y318-K490 HydrophobicContact CD1-CD 4.03Å; Y318-K490 HydrophobicContact CD2-CD 4.47Å; Y318-K490 HydrophobicContact CE1-CD 3.64Å; Y318-K490 HydrophobicContact CE2-CD 4.11Å; Y318-K490 HydrophobicContact CG-CB 4.43Å; Y318-K490 HydrophobicContact CG-CD 4.43Å; Y318-K490 PolarHBondContact OH-NZ 3.44Å | ||
| 319 | E | 75.5 | Confident | 85 | Confident | 189 Ų | 189 | 84.4 Ų | 84.4 | 88% | 0.883 | 40% | 0.398 | S | S | * | . | trans | -110.3 | 146.5 | 177 | -63.2 | -171.4 | 155.4 | 0 | 0 | 113 | K321 | E319-K321 PolarHBondContact O-N 2.99Š| ||
| 320 | I | 77.9 | Confident | 85.3 | Confident | 83 Ų | 83 | 87.3 Ų | 87.3 | 43% | 0.426 | 42% | 0.418 | S | S | . | . | trans | -78.6 | 120.8 | 175.7 | -60.3 | 171.8 | 0 | 0 | 0 | 109.9 | R325 | I320-R325 HydrophobicContact CG2-CB 4.24Š| ||
| 321 | K | 82.7 | Confident | 85.7 | Confident | 159 Ų | 159 | 90.9 Ų | 90.9 | 69% | 0.691 | 43% | 0.432 | S | S | * | . | trans | -59.7 | 137 | 178.6 | -65.8 | 176.3 | -178.4 | 174.4 | 0 | 111.7 | E319 K323 D324 R325 | E319-K321 PolarHBondContact O-N 2.99Å; K321-K323 VanDerWaalsContact C-N 3.29Å; K321-K323 PolarHBondContact O-N 3.17Å; K321-D324 PolarHBondContact O-N 3.11Å; K321-R325 PolarHBondContact O-N 3.41Å | ||
| 322 | E | 82.5 | Confident | 85.9 | Confident | 170 Ų | 170 | 97.3 Ų | 97.3 | 79% | 0.794 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -52.7 | -42.1 | -177.4 | -173.9 | 178 | -150.4 | 0 | 0 | 113.5 | D324 R325 A326 | E322-D324 PolarHBondContact O-N 2.81Å; E322-R325 PolarHBondContact O-N 3.11Å; E322-A326 WeakPolarHBondContact O-CB 3.44Å; E322-A326 PolarHBondContact O-N 3.47Å |
| 323 | K | 82.2 | Confident | 86 | Confident | 169 Ų | 169 | 98.1 Ų | 98.1 | 74% | 0.735 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57 | -29.2 | 176.1 | 179.6 | 176.1 | 178.4 | 178.8 | 0 | 113.9 | K321 K327 | K321-K323 VanDerWaalsContact C-N 3.29Å; K321-K323 PolarHBondContact O-N 3.17Å; K323-K327 WeakPolarHBondContact O-CE 3.46Å |
| 324 | D | 80.7 | Confident | 86.1 | Confident | 62 Ų | 62 | 101.4 Ų | 101.4 | 33% | 0.332 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -94.5 | -37.1 | -179.9 | -62.7 | -62.1 | 0 | 0 | 0 | 110.8 | K321 E322 A326 K327 | K321-D324 PolarHBondContact O-N 3.11Å; E322-D324 PolarHBondContact O-N 2.81Å; D324-A326 VanDerWaalsContact C-N 3.25Å; D324-A326 PolarHBondContact O-N 3.33Å; D324-K327 WeakPolarHBondContact O-CB 3.49Å; D324-K327 PolarHBondContact O-N 3.26Å; D324-K327 VanDerWaalsContact O-N 3.09Å; D324-K327 IonicContact OD1-NZ 3.46Å; D324-K327 PolarHBondContact OD1-NZ 2.77Å |
| 325 | R | 83.2 | Confident | 86 | Confident | 180 Ų | 180 | 105.2 Ų | 105.2 | 68% | 0.679 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56 | -37.7 | 168.6 | -172.1 | 178.5 | 179 | -178.4 | -0.1 | 112.5 | I320 K321 E322 K327 L328 | I320-R325 HydrophobicContact CG2-CB 4.24Å; K321-R325 PolarHBondContact O-N 3.41Å; E322-R325 PolarHBondContact O-N 3.11Å; R325-K327 PolarHBondContact O-N 3.42Å; R325-K327 VanDerWaalsContact O-N 3.13Å; R325-L328 WeakPolarHBondContact O-CB 2.96Å; R325-L328 WeakPolarHBondContact O-CG 2.97Å; R325-L328 PolarHBondContact O-N 2.65Å; R325-L328 VanDerWaalsContact O-N 3.09Å |
| 326 | A | 85.3 | Confident | 85.8 | Confident | 86 Ų | 86 | 106.1 Ų | 106.1 | 71% | 0.711 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -7.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E322 D324 | E322-A326 WeakPolarHBondContact O-CB 3.44Å; E322-A326 PolarHBondContact O-N 3.47Å; D324-A326 VanDerWaalsContact C-N 3.25Å; D324-A326 PolarHBondContact O-N 3.33Å |
| 327 | K | 83 | Confident | 85.9 | Confident | 101 Ų | 101 | 106 Ų | 106 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -8.7 | 174.6 | -55.4 | 167.7 | -173 | 165.3 | 0 | 112.8 | K323 D324 R325 | K323-K327 WeakPolarHBondContact O-CE 3.46Å; D324-K327 WeakPolarHBondContact O-CB 3.49Å; D324-K327 PolarHBondContact O-N 3.26Å; D324-K327 VanDerWaalsContact O-N 3.09Å; D324-K327 IonicContact OD1-NZ 3.46Å; D324-K327 PolarHBondContact OD1-NZ 2.77Å; R325-K327 PolarHBondContact O-N 3.42Å; R325-K327 VanDerWaalsContact O-N 3.13Å |
| 328 | L | 88.1 | Confident | 85.9 | Confident | 50 Ų | 50 | 106.7 Ų | 106.7 | 26% | 0.262 | 51% | 0.51 | S | S | . | . | trans | -86 | 138.9 | -175.6 | -54.1 | -172.6 | 0 | 0 | 0 | 109.6 | R325 V348 M349 | R325-L328 WeakPolarHBondContact O-CB 2.96Å; R325-L328 WeakPolarHBondContact O-CG 2.97Å; R325-L328 PolarHBondContact O-N 2.65Å; R325-L328 VanDerWaalsContact O-N 3.09Å; L328-V348 VanDerWaalsContact CB-O 3.32Å; L328-V348 WeakPolarHBondContact CB-O 3.47Å; L328-V348 HydrophobicContact CD2-CG1 4.48Å; L328-V348 WeakPolarHBondContact CD2-O 3.33Å; L328-M349 WeakPolarHBondContact CD1-O 3.46Å; L328-M349 WeakPolarHBondContact CD2-O 3.25Å | ||
| 329 | Y | 92.5 | Very high | 86.2 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | trans | -151.2 | 157.2 | -175.1 | 66.8 | -85.3 | 0 | 0 | 0 | 111.8 | Y331 V348 W351 | Y329-Y331 AromaticContact CD2-CD1 3.92Å; Y329-Y331 HydrophobicContact CD2-CD1 3.92Å; Y329-Y331 AromaticContact CE2-CD1 3.5Å; Y329-Y331 HydrophobicContact CE2-CD1 3.5Å; Y329-Y331 AromaticContact CE2-CE1 3.89Å; Y329-Y331 HydrophobicContact CE2-CE1 3.89Å; Y329-Y331 HydrophobicContact CE2-CG 4.39Å; Y329-V348 HydrophobicContact CD1-CB 4.41Å; Y329-V348 HydrophobicContact CD1-CG2 4.21Å; Y329-V348 HydrophobicContact CD2-CG2 4.48Å; Y329-V348 HydrophobicContact CE1-CB 4.4Å; Y329-V348 HydrophobicContact CE1-CG2 3.88Å; Y329-V348 HydrophobicContact CE2-CG2 4.17Å; Y329-V348 HydrophobicContact CG-CG2 4.5Å; Y329-V348 PolarHBondContact O-N 3.4Å; Y329-W351 AromaticContact CE1-CZ3 3.99Å; Y329-W351 HydrophobicContact CE1-CZ3 3.99Å | ||
| 330 | C | 92.7 | Very high | 86.8 | Confident | 86 Ų | 86 | 100.7 Ų | 100.7 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148.4 | 176.4 | -60.2 | 0 | 0 | 0 | 0 | 111 | V346 | C330-V346 CarbonylContact C-O 3.55Å; C330-V346 WeakPolarHBondContact CA-O 3.45Å |
| 331 | Y | 94.4 | Very high | 87.4 | Confident | 82 Ų | 82 | 104.1 Ų | 104.1 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 165 | 176.9 | 67.1 | -83.3 | 0 | 0 | 0 | 112.4 | Y329 K333 V346 V348 | Y329-Y331 AromaticContact CD2-CD1 3.92Å; Y329-Y331 HydrophobicContact CD2-CD1 3.92Å; Y329-Y331 AromaticContact CE2-CD1 3.5Å; Y329-Y331 HydrophobicContact CE2-CD1 3.5Å; Y329-Y331 AromaticContact CE2-CE1 3.89Å; Y329-Y331 HydrophobicContact CE2-CE1 3.89Å; Y329-Y331 HydrophobicContact CE2-CG 4.39Å; Y331-K333 HydrophobicContact CE2-CB 4.42Å; Y331-V346 HydrophobicContact CD1-CB 3.98Å; Y331-V346 HydrophobicContact CD1-CG1 4.38Å; Y331-V346 HydrophobicContact CD2-CB 4.32Å; Y331-V346 HydrophobicContact CD2-CG2 4.27Å; Y331-V346 HydrophobicContact CE1-CB 3.7Å; Y331-V346 HydrophobicContact CE1-CG1 3.66Å; Y331-V346 HydrophobicContact CE1-CG2 4.4Å; Y331-V346 HydrophobicContact CE2-CB 4.05Å; Y331-V346 HydrophobicContact CE2-CG1 4.47Å; Y331-V346 HydrophobicContact CE2-CG2 3.85Å; Y331-V346 HydrophobicContact CG-CB 4.3Å; Y331-V346 PolarHBondContact N-O 3.46Å; Y331-V346 PolarHBondContact O-N 3.27Å; Y331-V348 HydrophobicContact CE1-CG2 4.19Å |
| 332 | Y | 92.7 | Very high | 87.7 | Confident | 143 Ų | 143 | 98.7 Ų | 98.7 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.7 | 172.3 | -76.1 | -78.7 | 0 | 0 | 0 | 110.6 | P343 I344 K345 | Y332-P343 HydrophobicContact CD1-CB 3.91Å; Y332-P343 HydrophobicContact CD1-CG 4.09Å; Y332-P343 HydrophobicContact CG-CB 4.41Å; Y332-I344 CarbonylContact C-O 3.48Å; Y332-I344 WeakPolarHBondContact CA-O 3.37Å; Y332-K345 HydrophobicContact CD1-CG 4.12Å; Y332-K345 HydrophobicContact CE1-CD 4.45Å; Y332-K345 HydrophobicContact CE1-CG 3.48Å; Y332-K345 VanDerWaalsContact CE1-CG 3.48Å |
| 333 | K | 91 | Very high | 88.1 | Confident | 24 Ų | 24 | 93.3 Ų | 93.3 | 10% | 0.104 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 122.5 | 176.8 | -176 | 172.5 | 178.3 | 163.7 | 0 | 110.6 | Y331 N335 L339 I344 V346 M421 M422 D424 | Y331-K333 HydrophobicContact CE2-CB 4.42Å; K333-N335 WeakPolarHBondContact CE-OD1 3.31Å; K333-N335 WeakPolarHBondContact CG-OD1 3.45Å; K333-L339 HydrophobicContact CD-CD1 4.46Å; K333-L339 HydrophobicContact CG-CD1 4.09Å; K333-I344 HydrophobicContact CB-CB 4.45Å; K333-I344 PolarHBondContact N-O 2.99Å; K333-I344 PolarHBondContact O-N 3.07Å; K333-V346 HydrophobicContact CB-CG2 3.86Å; K333-M421 WeakPolarHBondContact CE-O 3.42Å; K333-M422 PolarHBondContact NZ-O 2.89Å; K333-D424 WeakPolarHBondContact CE-OD2 3.01Å; K333-D424 IonicContact NZ-OD2 3.14Å; K333-D424 PolarHBondContact NZ-OD2 3.46Å |
| 334 | T | 90.8 | Very high | 88.6 | Confident | 70 Ų | 70 | 86 Ų | 86 | 43% | 0.429 | 44% | 0.435 | S | S | . | . | trans | -135.8 | 14.3 | -169.8 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | K340 P343 | T334-K340 WeakPolarHBondContact O-CG 3.22Å; T334-P343 HydrophobicContact CG2-CB 3.88Å | ||
| 335 | N | 88 | Confident | 89.3 | Confident | 88 Ų | 88 | 86.9 Ų | 86.9 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | trans | -77.2 | -23 | -168.5 | 65.2 | -37.1 | 0 | 0 | 0 | 115 | K333 D424 | K333-N335 WeakPolarHBondContact CE-OD1 3.31Å; K333-N335 WeakPolarHBondContact CG-OD1 3.45Å; N335-D424 VanDerWaalsContact ND2-CG 3.3Å; N335-D424 PolarHBondContact ND2-OD1 3.34Å; N335-D424 PolarHBondContact ND2-OD2 3.2Å | ||
| 336 | R | 83.1 | Confident | 89.8 | Confident | 71 Ų | 71 | 78.5 Ų | 78.5 | 27% | 0.268 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -91.2 | 150.8 | 171.9 | -60.5 | -75.3 | 176.5 | 124.7 | -11.6 | 110.5 | F338 L339 K340 D420 D424 | R336-F338 VanDerWaalsContact C-N 3.33Å; R336-F338 PolarHBondContact O-N 2.85Å; R336-L339 HydrophobicContact CB-CB 4.39Å; R336-L339 HydrophobicContact CB-CD1 4.09Å; R336-L339 HydrophobicContact CB-CG 4.03Å; R336-L339 HydrophobicContact CG-CD1 4.24Å; R336-L339 PolarHBondContact O-N 3.18Å; R336-K340 PolarHBondContact O-N 3.02Å; R336-D420 IonicContact CZ-OD1 2.69Å; R336-D420 IonicContact NH1-OD1 3.38Å; R336-D420 PolarHBondContact NH1-OD1 2.7Å; R336-D420 IonicContact NH1-OD2 2.73Å; R336-D420 PolarHBondContact NH1-OD2 2.79Å; R336-D424 IonicContact CZ-OD1 3.19Å; R336-D424 IonicContact NE-OD1 3.75Å; R336-D424 PolarHBondContact NE-OD1 2.87Å; R336-D424 PolarHBondContact NH2-O 2.93Å; R336-D424 IonicContact NH2-OD1 3.77Å; R336-D424 PolarHBondContact NH2-OD1 3.36Å |
| 337 | P | 86.4 | Confident | 90.2 | Very high | 110 Ų | 110 | 77.2 Ų | 77.2 | 71% | 0.714 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -42.7 | -177.8 | -28.5 | 35.9 | 0 | 0 | 0 | 114.6 | K340 | P337-K340 WeakPolarHBondContact O-CB 3.32Å; P337-K340 PolarHBondContact O-N 3.06Å |
| 338 | F | 87.4 | Confident | 90.6 | Very high | 121 Ų | 121 | 72.4 Ų | 72.4 | 53% | 0.531 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -64.9 | -38.3 | 176.5 | -179.2 | -97.2 | 0 | 0 | 0 | 112.7 | R336 K340 L341 A342 M421 | R336-F338 VanDerWaalsContact C-N 3.33Å; R336-F338 PolarHBondContact O-N 2.85Å; F338-K340 PolarHBondContact O-N 3.09Å; F338-K340 VanDerWaalsContact O-N 3.14Å; F338-L341 PolarHBondContact O-N 3.12Å; F338-A342 HydrophobicContact CD1-CB 4.35Å; F338-A342 HydrophobicContact CE1-CB 3.78Å; F338-A342 HydrophobicContact CZ-CB 4.12Å; F338-A342 PolarHBondContact O-N 2.78Å; F338-M421 HydrophobicContact CB-SD 3.9Å; F338-M421 HydrophobicContact CD1-CE 3.84Å; F338-M421 HydrophobicContact CD1-SD 3.55Å; F338-M421 VanDerWaalsContact CD1-SD 3.55Å; F338-M421 HydrophobicContact CE1-CE 4.12Å; F338-M421 HydrophobicContact CE1-SD 4.41Å; F338-M421 HydrophobicContact CG-SD 4.01Å |
| 339 | L | 90.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -69.1 | -9 | -179.8 | -62.8 | -175.2 | 0 | 0 | 0 | 114 | K333 R336 L341 A342 P343 I344 M421 | K333-L339 HydrophobicContact CD-CD1 4.46Å; K333-L339 HydrophobicContact CG-CD1 4.09Å; R336-L339 HydrophobicContact CB-CB 4.39Å; R336-L339 HydrophobicContact CB-CD1 4.09Å; R336-L339 HydrophobicContact CB-CG 4.03Å; R336-L339 HydrophobicContact CG-CD1 4.24Å; R336-L339 PolarHBondContact O-N 3.18Å; L339-L341 VanDerWaalsContact C-N 3.28Å; L339-A342 VanDerWaalsContact CD2-O 3.28Å; L339-A342 WeakPolarHBondContact CD2-O 3.32Å; L339-P343 VanDerWaalsContact O-CA 3.32Å; L339-P343 WeakPolarHBondContact O-CA 3.35Å; L339-I344 HydrophobicContact CD2-CD1 3.7Å; L339-I344 HydrophobicContact CD2-CG1 3.82Å; L339-M421 HydrophobicContact CD1-CB 4.17Å; L339-M421 WeakPolarHBondContact CD1-O 3.41Å; L339-M421 HydrophobicContact CD2-CB 4.26Å; L339-M421 HydrophobicContact CD2-SD 4.44Å; L339-M421 HydrophobicContact CG-CB 4.29Å |
| 340 | K | 88.2 | Confident | 90.4 | Very high | 155 Ų | 155 | 68.6 Ų | 68.6 | 67% | 0.674 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -74.2 | -20.6 | 167.9 | -63.1 | -175.5 | 177.5 | -177.1 | 0 | 112.8 | T334 R336 P337 F338 | T334-K340 WeakPolarHBondContact O-CG 3.22Å; R336-K340 PolarHBondContact O-N 3.02Å; P337-K340 WeakPolarHBondContact O-CB 3.32Å; P337-K340 PolarHBondContact O-N 3.06Å; F338-K340 PolarHBondContact O-N 3.09Å; F338-K340 VanDerWaalsContact O-N 3.14Å |
| 341 | L | 89.5 | Confident | 89.8 | Confident | 155 Ų | 155 | 70.6 Ų | 70.6 | 81% | 0.812 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -39.4 | 176.5 | -58 | 174.1 | 0 | 0 | 0 | 111.2 | F338 L339 P343 | F338-L341 PolarHBondContact O-N 3.12Å; L339-L341 VanDerWaalsContact C-N 3.28Å; L341-P343 WeakPolarHBondContact O-CD 3.25Å |
| 342 | A | 89.3 | Confident | 89 | Confident | 44 Ų | 44 | 74.1 Ų | 74.1 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -122 | 79.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F338 L339 | F338-A342 HydrophobicContact CD1-CB 4.35Å; F338-A342 HydrophobicContact CE1-CB 3.78Å; F338-A342 HydrophobicContact CZ-CB 4.12Å; F338-A342 PolarHBondContact O-N 2.78Å; L339-A342 VanDerWaalsContact CD2-O 3.28Å; L339-A342 WeakPolarHBondContact CD2-O 3.32Å |
| 343 | P | 92 | Very high | 88.5 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 134.1 | -175 | 30 | -36.2 | 0 | 0 | 0 | 112.4 | Y332 T334 L339 L341 | Y332-P343 HydrophobicContact CD1-CB 3.91Å; Y332-P343 HydrophobicContact CD1-CG 4.09Å; Y332-P343 HydrophobicContact CG-CB 4.41Å; T334-P343 HydrophobicContact CG2-CB 3.88Å; L339-P343 VanDerWaalsContact O-CA 3.32Å; L339-P343 WeakPolarHBondContact O-CA 3.35Å; L341-P343 WeakPolarHBondContact O-CD 3.25Å |
| 344 | I | 92.4 | Very high | 88.2 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 9% | 0.087 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 132.5 | 178.8 | -69.2 | 172.9 | 0 | 0 | 0 | 110.2 | Y332 K333 L339 V346 F358 V361 M422 | Y332-I344 CarbonylContact C-O 3.48Å; Y332-I344 WeakPolarHBondContact CA-O 3.37Å; K333-I344 HydrophobicContact CB-CB 4.45Å; K333-I344 PolarHBondContact N-O 2.99Å; K333-I344 PolarHBondContact O-N 3.07Å; L339-I344 HydrophobicContact CD2-CD1 3.7Å; L339-I344 HydrophobicContact CD2-CG1 3.82Å; I344-V346 HydrophobicContact CG2-CG2 4.47Å; I344-F358 HydrophobicContact CG2-CB 4.21Å; I344-F358 HydrophobicContact CG2-CD1 3.73Å; I344-F358 HydrophobicContact CG2-CG 4.35Å; I344-V361 HydrophobicContact CG2-CG1 3.99Å; I344-M422 HydrophobicContact CD1-CB 3.59Å |
| 345 | K | 95.5 | Very high | 88.2 | Confident | 80 Ų | 80 | 67.5 Ų | 67.5 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.5 | 173.5 | -65.3 | 171.7 | -173.8 | 179.1 | 0 | 109.5 | Y332 F358 R359 | Y332-K345 HydrophobicContact CD1-CG 4.12Å; Y332-K345 HydrophobicContact CE1-CD 4.45Å; Y332-K345 HydrophobicContact CE1-CG 3.48Å; Y332-K345 VanDerWaalsContact CE1-CG 3.48Å; K345-F358 CarbonylContact O-C 3.57Å; K345-F358 WeakPolarHBondContact O-CA 3.29Å; K345-R359 HydrophobicContact CB-CB 3.91Å; K345-R359 PolarHBondContact O-N 3.09Å |
| 346 | V | 94.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.9 | 177.1 | -163.5 | 0 | 0 | 0 | 0 | 109.6 | C330 Y331 K333 I344 V356 Y357 F358 | C330-V346 CarbonylContact C-O 3.55Å; C330-V346 WeakPolarHBondContact CA-O 3.45Å; Y331-V346 HydrophobicContact CD1-CB 3.98Å; Y331-V346 HydrophobicContact CD1-CG1 4.38Å; Y331-V346 HydrophobicContact CD2-CB 4.32Å; Y331-V346 HydrophobicContact CD2-CG2 4.27Å; Y331-V346 HydrophobicContact CE1-CB 3.7Å; Y331-V346 HydrophobicContact CE1-CG1 3.66Å; Y331-V346 HydrophobicContact CE1-CG2 4.4Å; Y331-V346 HydrophobicContact CE2-CB 4.05Å; Y331-V346 HydrophobicContact CE2-CG1 4.47Å; Y331-V346 HydrophobicContact CE2-CG2 3.85Å; Y331-V346 HydrophobicContact CG-CB 4.3Å; Y331-V346 PolarHBondContact N-O 3.46Å; Y331-V346 PolarHBondContact O-N 3.27Å; K333-V346 HydrophobicContact CB-CG2 3.86Å; I344-V346 HydrophobicContact CG2-CG2 4.47Å; V346-V356 HydrophobicContact CG1-CB 4.03Å; V346-V356 HydrophobicContact CG1-CG1 4.39Å; V346-V356 HydrophobicContact CG1-CG2 4.25Å; V346-Y357 CarbonylContact C-O 3.49Å; V346-Y357 WeakPolarHBondContact CA-O 3.44Å; V346-F358 HydrophobicContact CG1-CD1 4.22Å; V346-F358 HydrophobicContact CG1-CE1 4.1Å; V346-F358 HydrophobicContact CG2-CD1 3.95Å; V346-F358 HydrophobicContact CG2-CE1 3.98Å |
| 347 | E | 93.7 | Very high | 88.8 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 118.2 | 178.4 | 168.6 | 167.3 | -145.3 | 0 | 0 | 108.2 | M349 V356 Y357 R359 | E347-M349 HydrophobicContact CG-SD 4.01Å; E347-M349 PolarHBondContact O-N 2.87Å; E347-V356 CarbonylContact O-C 3.59Å; E347-V356 VanDerWaalsContact O-CA 3.31Å; E347-V356 WeakPolarHBondContact O-CA 3.27Å; E347-Y357 PolarHBondContact N-O 3.03Å; E347-Y357 PolarHBondContact O-N 3.33Å; E347-R359 HydrophobicContact CB-CG 4.19Å; E347-R359 VanDerWaalsContact OE2-CD 3.26Å; E347-R359 WeakPolarHBondContact OE2-CD 3.33Å; E347-R359 IonicContact OE2-CZ 2.83Å; E347-R359 IonicContact OE2-NE 2.7Å; E347-R359 PolarHBondContact OE2-NE 3.3Å |
| 348 | V | 91.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 111.6 | -178.7 | -179.2 | 0 | 0 | 0 | 0 | 109 | L328 Y329 Y331 H350 W351 V356 | L328-V348 VanDerWaalsContact CB-O 3.32Å; L328-V348 WeakPolarHBondContact CB-O 3.47Å; L328-V348 HydrophobicContact CD2-CG1 4.48Å; L328-V348 WeakPolarHBondContact CD2-O 3.33Å; Y329-V348 HydrophobicContact CD1-CB 4.41Å; Y329-V348 HydrophobicContact CD1-CG2 4.21Å; Y329-V348 HydrophobicContact CD2-CG2 4.48Å; Y329-V348 HydrophobicContact CE1-CB 4.4Å; Y329-V348 HydrophobicContact CE1-CG2 3.88Å; Y329-V348 HydrophobicContact CE2-CG2 4.17Å; Y329-V348 HydrophobicContact CG-CG2 4.5Å; Y329-V348 PolarHBondContact O-N 3.4Å; Y331-V348 HydrophobicContact CE1-CG2 4.19Å; V348-H350 WeakPolarHBondContact CG1-O 3.21Å; V348-W351 HydrophobicContact CG1-CE3 4.34Å; V348-V356 HydrophobicContact CG2-CG1 4.14Å |
| 349 | M | 87.6 | Confident | 89.5 | Confident | 34 Ų | 34 | 54 Ų | 54 | 17% | 0.167 | 25% | 0.254 | C | S | . | . | trans | -88.7 | -30.2 | -179.9 | -67.6 | -57.7 | -64.5 | 0 | 0 | 112.5 | L328 E347 I355 Y357 | L328-M349 WeakPolarHBondContact CD1-O 3.46Å; L328-M349 WeakPolarHBondContact CD2-O 3.25Å; E347-M349 HydrophobicContact CG-SD 4.01Å; E347-M349 PolarHBondContact O-N 2.87Å; M349-I355 HydrophobicContact CB-CG2 4.35Å; M349-I355 PolarHBondContact N-O 3.3Å; M349-Y357 HydrophobicContact CE-CD2 4.42Å; M349-Y357 HydrophobicContact CE-CE2 3.88Å; M349-Y357 HydrophobicContact CG-CD2 3.44Å; M349-Y357 VanDerWaalsContact CG-CD2 3.44Å; M349-Y357 HydrophobicContact CG-CE2 3.7Å; M349-Y357 HydrophobicContact CG-CG 3.99Å; M349-Y357 HydrophobicContact SD-CD2 3.53Å; M349-Y357 VanDerWaalsContact SD-CD2 3.53Å; M349-Y357 HydrophobicContact SD-CE2 3.59Å; M349-Y357 VanDerWaalsContact SD-CE2 3.59Å | ||
| 350 | H | 88.2 | Confident | 89.6 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | trans | -150.6 | 159.6 | 173 | -162.9 | -132.2 | 0 | 0 | 0 | 112.2 | V348 K352 P353 K354 I355 H489 I491 | V348-H350 WeakPolarHBondContact CG1-O 3.21Å; H350-K352 VanDerWaalsContact CE1-C 3.49Å; H350-K352 PolarHBondContact CE1-O 3.18Å; H350-K352 PolarHBondContact ND1-O 2.93Å; H350-P353 CarbonylContact C-O 3.49Å; H350-P353 PolarHBondContact ND1-O 3.5Å; H350-P353 VanDerWaalsContact ND1-O 3.15Å; H350-K354 WeakPolarHBondContact O-CA 3.32Å; H350-I355 HydrophobicContact CB-CB 4.03Å; H350-I355 HydrophobicContact CB-CD1 4.05Å; H350-I355 HydrophobicContact CB-CG1 4.19Å; H350-I355 PolarHBondContact N-O 3.27Å; H350-I355 PolarHBondContact O-N 2.93Å; H350-H489 AromaticContact CE1-CG 3.61Å; H350-H489 AromaticContact CE1-ND1 3.57Å; H350-I491 HydrophobicContact CB-CD1 3.75Å; H350-I491 WeakPolarHBondContact CD2-CD1 3.22Å | ||
| 351 | W | 80.2 | Confident | 89.9 | Confident | 127 Ų | 127 | 52.7 Ų | 52.7 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -106.3 | -29.9 | -173.4 | -170.9 | -111.4 | 0 | 0 | 0 | 114.7 | Y329 V348 P353 | Y329-W351 AromaticContact CE1-CZ3 3.99Å; Y329-W351 HydrophobicContact CE1-CZ3 3.99Å; V348-W351 HydrophobicContact CG1-CE3 4.34Å; W351-P353 CarbonylContact C-O 3.59Å |
| 352 | K | 77.9 | Confident | 90 | Very high | 157 Ų | 157 | 45.6 Ų | 45.6 | 68% | 0.683 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -149.3 | 94.6 | 178.8 | -72.6 | -165.8 | 173.6 | -164.2 | 0 | 110.9 | H350 H489 | H350-K352 VanDerWaalsContact CE1-C 3.49Å; H350-K352 PolarHBondContact CE1-O 3.18Å; H350-K352 PolarHBondContact ND1-O 2.93Å; K352-H489 PolarHBondContact O-CE1 3.07Å; K352-H489 VanDerWaalsContact O-CE1 3.24Å; K352-H489 PolarHBondContact O-NE2 2.87Å |
| 353 | P | 80.8 | Confident | 90.2 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 5% | 0.045 | 21% | 0.212 | C | C | . | . | S | Bend | cis | -68.3 | 156.4 | 3.2 | 28.6 | -32.5 | 0 | 0 | 0 | 111 | H350 W351 I355 H489 S515 T516 | H350-P353 CarbonylContact C-O 3.49Å; H350-P353 PolarHBondContact ND1-O 3.5Å; H350-P353 VanDerWaalsContact ND1-O 3.15Å; W351-P353 CarbonylContact C-O 3.59Å; P353-I355 HydrophobicContact CG-CD1 4.28Å; P353-I355 HydrophobicContact CG-CG1 4.24Å; P353-I355 PolarHBondContact O-N 3.36Å; P353-H489 WeakPolarHBondContact CD-CD2 3.3Å; P353-H489 WeakPolarHBondContact CD-NE2 3.25Å; P353-S515 WeakPolarHBondContact CB-OG 3.09Å; P353-S515 VanDerWaalsContact CD-OG 3.28Å; P353-S515 WeakPolarHBondContact CD-OG 3.43Å; P353-S515 WeakPolarHBondContact CG-OG 3.45Å; P353-T516 HydrophobicContact CB-CG2 4.06Å; P353-T516 HydrophobicContact CG-CG2 4.3Å |
| 354 | K | 86.4 | Confident | 90.2 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 39% | 0.387 | 21% | 0.212 | S | C | . | . | trans | -80.1 | 91.2 | 179.3 | -171.5 | -176 | 176 | -176.5 | 0 | 110.1 | H350 V356 | H350-K354 WeakPolarHBondContact O-CA 3.32Å; K354-V356 HydrophobicContact CG-CG1 4.19Å | ||
| 355 | I | 90.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | -92.7 | 126.5 | 174.9 | -54.2 | 166.8 | 0 | 0 | 0 | 107.9 | M349 H350 P353 F486 W503 | M349-I355 HydrophobicContact CB-CG2 4.35Å; M349-I355 PolarHBondContact N-O 3.3Å; H350-I355 HydrophobicContact CB-CB 4.03Å; H350-I355 HydrophobicContact CB-CD1 4.05Å; H350-I355 HydrophobicContact CB-CG1 4.19Å; H350-I355 PolarHBondContact N-O 3.27Å; H350-I355 PolarHBondContact O-N 2.93Å; P353-I355 HydrophobicContact CG-CD1 4.28Å; P353-I355 HydrophobicContact CG-CG1 4.24Å; P353-I355 PolarHBondContact O-N 3.36Å; I355-F486 HydrophobicContact CD1-CD1 3.69Å; I355-F486 HydrophobicContact CD1-CD2 3.82Å; I355-F486 HydrophobicContact CD1-CE1 3.75Å; I355-F486 HydrophobicContact CD1-CE2 3.88Å; I355-F486 HydrophobicContact CD1-CG 3.74Å; I355-F486 HydrophobicContact CD1-CZ 3.85Å; I355-F486 HydrophobicContact CG1-CE1 4.3Å; I355-F486 HydrophobicContact CG1-CZ 4.33Å; I355-W503 HydrophobicContact CG1-CB 4.47Å | ||
| 356 | V | 92.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.3 | 175.6 | -53.2 | 0 | 0 | 0 | 0 | 111 | V346 E347 V348 K354 F358 A501 F502 | V346-V356 HydrophobicContact CG1-CB 4.03Å; V346-V356 HydrophobicContact CG1-CG1 4.39Å; V346-V356 HydrophobicContact CG1-CG2 4.25Å; E347-V356 CarbonylContact O-C 3.59Å; E347-V356 VanDerWaalsContact O-CA 3.31Å; E347-V356 WeakPolarHBondContact O-CA 3.27Å; V348-V356 HydrophobicContact CG2-CG1 4.14Å; K354-V356 HydrophobicContact CG-CG1 4.19Å; V356-F358 HydrophobicContact CG2-CE1 4.36Å; V356-F358 HydrophobicContact CG2-CE2 4.23Å; V356-F358 HydrophobicContact CG2-CZ 4.04Å; V356-A501 CarbonylContact O-C 3.57Å; V356-A501 WeakPolarHBondContact O-CA 3.23Å; V356-F502 HydrophobicContact CG2-CB 3.98Å; V356-F502 HydrophobicContact CG2-CD1 3.86Å; V356-F502 HydrophobicContact CG2-CG 4.43Å; V356-F502 PolarHBondContact N-O 2.64Å; V356-F502 PolarHBondContact O-N 2.86Å |
| 357 | Y | 92.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 137.2 | 156.5 | -73.7 | -47.5 | 0 | 0 | 0 | 110.4 | V346 E347 M349 Y474 V493 T494 A500 A501 | V346-Y357 CarbonylContact C-O 3.49Å; V346-Y357 WeakPolarHBondContact CA-O 3.44Å; E347-Y357 PolarHBondContact N-O 3.03Å; E347-Y357 PolarHBondContact O-N 3.33Å; M349-Y357 HydrophobicContact CE-CD2 4.42Å; M349-Y357 HydrophobicContact CE-CE2 3.88Å; M349-Y357 HydrophobicContact CG-CD2 3.44Å; M349-Y357 VanDerWaalsContact CG-CD2 3.44Å; M349-Y357 HydrophobicContact CG-CE2 3.7Å; M349-Y357 HydrophobicContact CG-CG 3.99Å; M349-Y357 HydrophobicContact SD-CD2 3.53Å; M349-Y357 VanDerWaalsContact SD-CD2 3.53Å; M349-Y357 HydrophobicContact SD-CE2 3.59Å; M349-Y357 VanDerWaalsContact SD-CE2 3.59Å; Y357-Y474 HydrophobicContact CE1-CE2 4.19Å; Y357-V493 HydrophobicContact CE1-CG1 3.52Å; Y357-V493 WeakPolarHBondContact OH-CG1 3.29Å; Y357-T494 PolarHBondContact OH-N 3.44Å; Y357-T494 PolarHBondContact OH-O 3.25Å; Y357-A500 CarbonylContact C-O 3.52Å; Y357-A500 VanDerWaalsContact CA-O 3.27Å; Y357-A500 WeakPolarHBondContact CA-O 3.17Å; Y357-A501 HydrophobicContact CD1-CB 4.17Å; Y357-A501 HydrophobicContact CE1-CB 4.21Å |
| 358 | F | 93.9 | Very high | 90 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.1 | 152.4 | -57.9 | -66.8 | 0 | 0 | 0 | 107.9 | I344 K345 V346 V356 V361 M422 D499 A500 F502 | I344-F358 HydrophobicContact CG2-CB 4.21Å; I344-F358 HydrophobicContact CG2-CD1 3.73Å; I344-F358 HydrophobicContact CG2-CG 4.35Å; K345-F358 CarbonylContact O-C 3.57Å; K345-F358 WeakPolarHBondContact O-CA 3.29Å; V346-F358 HydrophobicContact CG1-CD1 4.22Å; V346-F358 HydrophobicContact CG1-CE1 4.1Å; V346-F358 HydrophobicContact CG2-CD1 3.95Å; V346-F358 HydrophobicContact CG2-CE1 3.98Å; V356-F358 HydrophobicContact CG2-CE1 4.36Å; V356-F358 HydrophobicContact CG2-CE2 4.23Å; V356-F358 HydrophobicContact CG2-CZ 4.04Å; F358-V361 HydrophobicContact CB-CB 4.48Å; F358-V361 HydrophobicContact CB-CG1 3.64Å; F358-V361 HydrophobicContact CB-CG2 4.06Å; F358-M422 HydrophobicContact CB-SD 4.24Å; F358-M422 HydrophobicContact CD1-CB 4.18Å; F358-M422 HydrophobicContact CD2-CB 4.34Å; F358-M422 HydrophobicContact CD2-CE 3.62Å; F358-M422 HydrophobicContact CD2-CG 3.81Å; F358-M422 HydrophobicContact CD2-SD 3.58Å; F358-M422 VanDerWaalsContact CD2-SD 3.58Å; F358-M422 HydrophobicContact CE1-CB 4.04Å; F358-M422 HydrophobicContact CE1-CG 4.4Å; F358-M422 WeakPolarHBondContact CE1-O 3.3Å; F358-M422 HydrophobicContact CE2-CB 4.17Å; F358-M422 HydrophobicContact CE2-CE 3.96Å; F358-M422 HydrophobicContact CE2-CG 3.64Å; F358-M422 HydrophobicContact CE2-SD 4.03Å; F358-M422 HydrophobicContact CG-CB 4.33Å; F358-M422 HydrophobicContact CG-CG 4.25Å; F358-M422 HydrophobicContact CG-SD 3.93Å; F358-M422 HydrophobicContact CZ-CB 4.03Å; F358-M422 HydrophobicContact CZ-CG 3.97Å; F358-M422 WeakPolarHBondContact CZ-O 3.33Å; F358-D499 WeakPolarHBondContact O-CA 3.22Å; F358-A500 PolarHBondContact N-O 3.02Å; F358-A500 PolarHBondContact O-N 2.76Å; F358-F502 HydrophobicContact CD2-CB 4.03Å; F358-F502 HydrophobicContact CE2-CB 3.44Å; F358-F502 VanDerWaalsContact CE2-CB 3.44Å; F358-F502 AromaticContact CE2-CD1 3.96Å; F358-F502 HydrophobicContact CE2-CD1 3.96Å; F358-F502 AromaticContact CE2-CG 3.76Å; F358-F502 HydrophobicContact CE2-CG 3.76Å; F358-F502 HydrophobicContact CZ-CB 4.31Å; F358-F502 HydrophobicContact CZ-CD1 4.05Å; F358-F502 HydrophobicContact CZ-CG 4.32Å |
| 359 | R | 93.7 | Very high | 89.9 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.6 | -170.4 | -58.5 | -72.1 | -93.4 | 105.7 | -12 | 111.5 | K345 E347 D499 | K345-R359 HydrophobicContact CB-CB 3.91Å; K345-R359 PolarHBondContact O-N 3.09Å; E347-R359 HydrophobicContact CB-CG 4.19Å; E347-R359 VanDerWaalsContact OE2-CD 3.26Å; E347-R359 WeakPolarHBondContact OE2-CD 3.33Å; E347-R359 IonicContact OE2-CZ 2.83Å; E347-R359 IonicContact OE2-NE 2.7Å; E347-R359 PolarHBondContact OE2-NE 3.3Å; R359-D499 WeakPolarHBondContact CA-OD1 3.45Å; R359-D499 WeakPolarHBondContact CD-OD1 3.47Å; R359-D499 IonicContact CZ-OD1 3.3Å; R359-D499 IonicContact CZ-OD2 2.65Å; R359-D499 IonicContact NE-OD1 3.69Å; R359-D499 IonicContact NE-OD2 2.8Å; R359-D499 IonicContact NH1-OD1 2.76Å; R359-D499 PolarHBondContact NH1-OD1 3.4Å; R359-D499 IonicContact NH1-OD2 3.49Å; R359-D499 PolarHBondContact NH1-OD2 2.88Å |
| 360 | Q | 92.4 | Very high | 90.2 | Very high | 120 Ų | 120 | 48.6 Ų | 48.6 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | S | Bend | trans | 55.6 | 47.5 | 178 | -58 | 176.2 | -39.3 | 0 | 0 | 113.3 | H498 D499 | Q360-H498 CarbonylContact C-O 3.58Å; Q360-H498 WeakPolarHBondContact CA-O 3.42Å; Q360-H498 PolarHBondContact N-O 2.73Å; Q360-D499 PolarHBondContact N-OD1 2.89Å |
| 361 | V | 93.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | trans | -97.5 | 6.5 | -177.6 | -70.7 | 0 | 0 | 0 | 0 | 114.6 | I344 F358 R418 F473 H498 A500 | I344-V361 HydrophobicContact CG2-CG1 3.99Å; F358-V361 HydrophobicContact CB-CB 4.48Å; F358-V361 HydrophobicContact CB-CG1 3.64Å; F358-V361 HydrophobicContact CB-CG2 4.06Å; V361-R418 WeakPolarHBondContact O-CD 3.22Å; V361-R418 PolarHBondContact O-NH1 3Å; V361-F473 HydrophobicContact CG2-CD1 4.03Å; V361-F473 HydrophobicContact CG2-CE1 3.83Å; V361-H498 PolarHBondContact N-O 2.74Å; V361-A500 HydrophobicContact CG2-CB 3.74Å | ||
| 362 | M | 92.2 | Very high | 90.4 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -145.6 | 133 | 171 | -165.1 | -177.9 | -71.4 | 0 | 0 | 109.3 | E366 I367 I370 V415 F473 M475 H498 | M362-E366 HydrophobicContact CG-CB 3.82Å; M362-I367 HydrophobicContact CB-CG1 4.48Å; M362-I367 HydrophobicContact CG-CG1 3.88Å; M362-I367 HydrophobicContact SD-CG1 3.55Å; M362-I367 VanDerWaalsContact SD-CG1 3.55Å; M362-I370 HydrophobicContact CE-CD1 3.88Å; M362-I370 HydrophobicContact SD-CD1 3.89Å; M362-V415 HydrophobicContact CE-CG1 4.1Å; M362-V415 HydrophobicContact CE-CG2 4.1Å; M362-F473 HydrophobicContact CE-CB 4.06Å; M362-F473 HydrophobicContact CE-CD1 3.68Å; M362-F473 HydrophobicContact CE-CD2 4.36Å; M362-F473 HydrophobicContact CE-CE1 4.17Å; M362-F473 HydrophobicContact CE-CG 3.8Å; M362-M475 HydrophobicContact CE-SD 4.36Å; M362-M475 HydrophobicContact SD-CG 3.94Å; M362-M475 HydrophobicContact SD-SD 3.76Å; M362-H498 PolarHBondContact N-O 2.78Å; M362-H498 WeakPolarHBondContact O-CB 3.5Å; M362-H498 PolarHBondContact O-CD2 2.83Å; M362-H498 VanDerWaalsContact O-CD2 3.26Å |
| 363 | S | 93.8 | Very high | 90.8 | Very high | 45 Ų | 45 | 44 Ų | 44 | 32% | 0.315 | 22% | 0.222 | S | C | . | . | trans | -85.7 | 170.5 | 179.8 | 81.6 | 0 | 0 | 0 | 0 | 112.4 | E365 E366 I367 | S363-E365 VanDerWaalsContact C-N 3.31Å; S363-E365 WeakPolarHBondContact CB-OE2 3.42Å; S363-E365 PolarHBondContact O-N 2.87Å; S363-E365 PolarHBondContact OG-N 2.91Å; S363-E365 PolarHBondContact OG-OE2 2.77Å; S363-E366 PolarHBondContact O-N 2.79Å; S363-E366 PolarHBondContact OG-N 2.91Å; S363-I367 WeakPolarHBondContact O-CB 3.31Å; S363-I367 VanDerWaalsContact O-CG1 3.3Å; S363-I367 WeakPolarHBondContact O-CG1 3.5Å; S363-I367 PolarHBondContact O-N 2.64Å | ||
| 364 | D | 92.5 | Very high | 90.9 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.9 | -33.8 | 177.6 | -84.8 | -43 | 0 | 0 | 0 | 113.1 | I367 A368 K497 H498 | D364-I367 PolarHBondContact O-N 3.32Å; D364-A368 VanDerWaalsContact O-CB 3.31Å; D364-A368 WeakPolarHBondContact O-CB 3.48Å; D364-A368 PolarHBondContact O-N 2.85Å; D364-K497 WeakPolarHBondContact OD1-CE 3.36Å; D364-K497 IonicContact OD1-NZ 3.7Å; D364-K497 PolarHBondContact OD1-NZ 2.85Å; D364-K497 IonicContact OD2-NZ 3.99Å; D364-H498 IonicContact OD1-CD2 3.18Å; D364-H498 IonicContact OD1-CE1 3.38Å; D364-H498 IonicContact OD1-NE2 3.83Å; D364-H498 PolarHBondContact OD1-NE2 2.9Å; D364-H498 IonicContact OD2-CE1 2.68Å; D364-H498 IonicContact OD2-NE2 2.8Å; D364-H498 PolarHBondContact OD2-NE2 3.26Å; D364-H498 VanDerWaalsContact OD2-NE2 3.09Å |
| 365 | E | 92.4 | Very high | 90.5 | Very high | 132 Ų | 132 | 42.6 Ų | 42.6 | 62% | 0.617 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -69.8 | -40.1 | 175.3 | -49.7 | 74.6 | -163.1 | 0 | 0 | 111 | S363 A368 V369 | S363-E365 VanDerWaalsContact C-N 3.31Å; S363-E365 WeakPolarHBondContact CB-OE2 3.42Å; S363-E365 PolarHBondContact O-N 2.87Å; S363-E365 PolarHBondContact OG-N 2.91Å; S363-E365 PolarHBondContact OG-OE2 2.77Å; E365-A368 PolarHBondContact O-N 3.06Å; E365-V369 WeakPolarHBondContact O-CB 3.39Å; E365-V369 WeakPolarHBondContact O-CG2 2.86Å; E365-V369 PolarHBondContact O-N 3.48Å |
| 366 | E | 94.2 | Very high | 89.4 | Confident | 15 Ų | 15 | 45 Ų | 45 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68 | -39.1 | 174.9 | -67 | -171.2 | 148.6 | 0 | 0 | 111.6 | M362 S363 I370 V411 R414 R418 | M362-E366 HydrophobicContact CG-CB 3.82Å; S363-E366 PolarHBondContact O-N 2.79Å; S363-E366 PolarHBondContact OG-N 2.91Å; E366-I370 WeakPolarHBondContact O-CB 3.45Å; E366-I370 WeakPolarHBondContact O-CD1 3.25Å; E366-I370 VanDerWaalsContact O-CG1 3.22Å; E366-I370 WeakPolarHBondContact O-CG1 3.17Å; E366-I370 PolarHBondContact O-N 3.48Å; E366-V411 HydrophobicContact CB-CG1 3.77Å; E366-V411 HydrophobicContact CG-CG1 3.83Å; E366-R414 IonicContact OE1-CZ 3.22Å; E366-R414 IonicContact OE1-NE 3.67Å; E366-R414 PolarHBondContact OE1-NE 2.88Å; E366-R414 IonicContact OE1-NH2 2.76Å; E366-R414 PolarHBondContact OE1-NH2 2.57Å; E366-R418 VanDerWaalsContact CD-NH2 3.32Å; E366-R418 IonicContact OE1-CZ 2.69Å; E366-R418 IonicContact OE1-NH1 3.97Å; E366-R418 IonicContact OE1-NH2 3.41Å; E366-R418 PolarHBondContact OE1-NH2 3.13Å; E366-R418 IonicContact OE2-CZ 3.99Å; E366-R418 VanDerWaalsContact OE2-CZ 3.25Å; E366-R418 IonicContact OE2-NH1 3.05Å; E366-R418 PolarHBondContact OE2-NH1 2.86Å; E366-R418 IonicContact OE2-NH2 3.89Å; E366-R418 PolarHBondContact OE2-NH2 3.5Å |
| 367 | I | 93.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 171.8 | -74 | 168.8 | 0 | 0 | 0 | 111.3 | M362 S363 D364 I370 K371 M475 K497 | M362-I367 HydrophobicContact CB-CG1 4.48Å; M362-I367 HydrophobicContact CG-CG1 3.88Å; M362-I367 HydrophobicContact SD-CG1 3.55Å; M362-I367 VanDerWaalsContact SD-CG1 3.55Å; S363-I367 WeakPolarHBondContact O-CB 3.31Å; S363-I367 VanDerWaalsContact O-CG1 3.3Å; S363-I367 WeakPolarHBondContact O-CG1 3.5Å; S363-I367 PolarHBondContact O-N 2.64Å; D364-I367 PolarHBondContact O-N 3.32Å; I367-I370 PolarHBondContact O-N 2.76Å; I367-K371 HydrophobicContact CG2-CD 4.11Å; I367-K371 WeakPolarHBondContact O-CG 3.37Å; I367-K371 PolarHBondContact O-N 2.95Å; I367-M475 HydrophobicContact CG1-CB 4.19Å; I367-M475 HydrophobicContact CG1-CG 4.12Å; I367-M475 HydrophobicContact CG2-CB 4.07Å; I367-K497 HydrophobicContact CD1-CG 4.09Å |
| 368 | A | 90.8 | Very high | 87.6 | Confident | 55 Ų | 55 | 47.3 Ų | 47.3 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61 | -50.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | D364 E365 I370 K371 E372 | D364-A368 VanDerWaalsContact O-CB 3.31Å; D364-A368 WeakPolarHBondContact O-CB 3.48Å; D364-A368 PolarHBondContact O-N 2.85Å; E365-A368 PolarHBondContact O-N 3.06Å; A368-I370 PolarHBondContact O-N 3.28Å; A368-K371 PolarHBondContact O-N 2.97Å; A368-E372 WeakPolarHBondContact O-CB 3.29Å; A368-E372 PolarHBondContact O-N 2.81Å |
| 369 | V | 91.1 | Very high | 86.3 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 178.2 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | E365 K371 E372 L373 H409 V411 | E365-V369 WeakPolarHBondContact O-CB 3.39Å; E365-V369 WeakPolarHBondContact O-CG2 2.86Å; E365-V369 PolarHBondContact O-N 3.48Å; V369-K371 VanDerWaalsContact C-N 3.32Å; V369-K371 PolarHBondContact O-N 3.4Å; V369-E372 PolarHBondContact O-N 3.23Å; V369-L373 HydrophobicContact CG1-CD1 3.75Å; V369-L373 HydrophobicContact CG1-CG 4.37Å; V369-L373 WeakPolarHBondContact O-CB 3.44Å; V369-L373 WeakPolarHBondContact O-CD1 3.47Å; V369-L373 WeakPolarHBondContact O-CG 3.1Å; V369-L373 PolarHBondContact O-N 3.3Å; V369-H409 VanDerWaalsContact CG1-CE1 3.5Å; V369-H409 WeakPolarHBondContact CG1-CE1 3.44Å; V369-H409 VanDerWaalsContact CG1-ND1 3.27Å; V369-H409 WeakPolarHBondContact CG1-ND1 3.33Å; V369-V411 HydrophobicContact CB-CG2 4.21Å; V369-V411 HydrophobicContact CG1-CB 4.01Å; V369-V411 HydrophobicContact CG1-CG1 4.45Å; V369-V411 HydrophobicContact CG1-CG2 3.76Å |
| 370 | I | 92.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -35.9 | 177.3 | -73.5 | 168.6 | 0 | 0 | 0 | 111.5 | M362 E366 I367 A368 A374 L404 V411 V415 I435 M475 | M362-I370 HydrophobicContact CE-CD1 3.88Å; M362-I370 HydrophobicContact SD-CD1 3.89Å; E366-I370 WeakPolarHBondContact O-CB 3.45Å; E366-I370 WeakPolarHBondContact O-CD1 3.25Å; E366-I370 VanDerWaalsContact O-CG1 3.22Å; E366-I370 WeakPolarHBondContact O-CG1 3.17Å; E366-I370 PolarHBondContact O-N 3.48Å; I367-I370 PolarHBondContact O-N 2.76Å; A368-I370 PolarHBondContact O-N 3.28Å; I370-A374 WeakPolarHBondContact O-CB 3.49Å; I370-A374 PolarHBondContact O-N 2.69Å; I370-L404 HydrophobicContact CG2-CD1 4.15Å; I370-V411 HydrophobicContact CD1-CG1 3.93Å; I370-V411 HydrophobicContact CG1-CG1 3.89Å; I370-V415 HydrophobicContact CD1-CG2 3.98Å; I370-I435 HydrophobicContact CG2-CD1 3.32Å; I370-I435 HydrophobicContact CG2-CG1 3.77Å; I370-M475 HydrophobicContact CB-SD 4.25Å; I370-M475 HydrophobicContact CG2-CE 3.86Å; I370-M475 HydrophobicContact CG2-SD 3.67Å |
| 371 | K | 87.8 | Confident | 83.4 | Confident | 40 Ų | 40 | 47 Ų | 47 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.7 | -44.1 | 172.5 | -72.4 | 177.5 | -175.4 | 172.7 | 0 | 111.9 | I367 A368 V369 L373 A374 M375 M475 W529 | I367-K371 HydrophobicContact CG2-CD 4.11Å; I367-K371 WeakPolarHBondContact O-CG 3.37Å; I367-K371 PolarHBondContact O-N 2.95Å; A368-K371 PolarHBondContact O-N 2.97Å; V369-K371 VanDerWaalsContact C-N 3.32Å; V369-K371 PolarHBondContact O-N 3.4Å; K371-L373 VanDerWaalsContact C-N 3.3Å; K371-L373 PolarHBondContact O-N 3.32Å; K371-A374 PolarHBondContact O-N 3.05Å; K371-A374 VanDerWaalsContact O-N 3.11Å; K371-M375 WeakPolarHBondContact O-CB 3.3Å; K371-M375 VanDerWaalsContact O-CG 3.25Å; K371-M375 WeakPolarHBondContact O-CG 3.49Å; K371-M375 PolarHBondContact O-N 2.73Å; K371-M475 WeakPolarHBondContact CE-O 3.31Å; K371-M475 PolarHBondContact NZ-O 3.44Å; K371-W529 HydrophobicContact CB-CH2 4.48Å; K371-W529 HydrophobicContact CB-CZ3 4.46Å; K371-W529 HydrophobicContact CD-CD2 4.06Å; K371-W529 HydrophobicContact CD-CE3 4.36Å; K371-W529 HydrophobicContact CD-CG 4.38Å; K371-W529 HydrophobicContact CD-CZ2 4.44Å; K371-W529 HydrophobicContact CG-CD2 4.1Å; K371-W529 HydrophobicContact CG-CE3 3.87Å; K371-W529 HydrophobicContact CG-CH2 4.27Å; K371-W529 HydrophobicContact CG-CZ2 4.47Å; K371-W529 HydrophobicContact CG-CZ3 3.96Å |
| 372 | E | 85.7 | Confident | 81.8 | Confident | 139 Ų | 139 | 48.7 Ų | 48.7 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -58.2 | -40.8 | 176.6 | -173.2 | -179.6 | -178.6 | 0 | 0 | 111.9 | A368 V369 P376 | A368-E372 WeakPolarHBondContact O-CB 3.29Å; A368-E372 PolarHBondContact O-N 2.81Å; V369-E372 PolarHBondContact O-N 3.23Å; E372-P376 WeakPolarHBondContact O-CD 3.41Å |
| 373 | L | 86.9 | Confident | 80.1 | Confident | 47 Ų | 47 | 49 Ų | 49 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72 | -32.6 | 174.8 | -67.1 | 163.4 | 0 | 0 | 0 | 113.1 | V369 K371 L404 H409 V412 | V369-L373 HydrophobicContact CG1-CD1 3.75Å; V369-L373 HydrophobicContact CG1-CG 4.37Å; V369-L373 WeakPolarHBondContact O-CB 3.44Å; V369-L373 WeakPolarHBondContact O-CD1 3.47Å; V369-L373 WeakPolarHBondContact O-CG 3.1Å; V369-L373 PolarHBondContact O-N 3.3Å; K371-L373 VanDerWaalsContact C-N 3.3Å; K371-L373 PolarHBondContact O-N 3.32Å; L373-L404 HydrophobicContact CB-CD1 4Å; L373-L404 HydrophobicContact CB-CD2 3.81Å; L373-H409 HydrophobicContact CD1-CB 3.38Å; L373-H409 HydrophobicContact CD2-CB 4.17Å; L373-H409 HydrophobicContact CG-CB 4.42Å; L373-V412 HydrophobicContact CD1-CG2 4Å |
| 374 | A | 83.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -83.2 | -34.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I370 K371 P376 I377 L378 A402 I435 | I370-A374 WeakPolarHBondContact O-CB 3.49Å; I370-A374 PolarHBondContact O-N 2.69Å; K371-A374 PolarHBondContact O-N 3.05Å; K371-A374 VanDerWaalsContact O-N 3.11Å; A374-P376 VanDerWaalsContact C-N 3.3Å; A374-I377 CarbonylContact O-C 3.53Å; A374-I377 WeakPolarHBondContact O-CG1 3.47Å; A374-I377 PolarHBondContact O-N 2.68Å; A374-L378 WeakPolarHBondContact O-CG 3.44Å; A374-L378 PolarHBondContact O-N 3.42Å; A374-A402 HydrophobicContact CB-CB 3.97Å; A374-I435 HydrophobicContact CB-CB 3.78Å; A374-I435 HydrophobicContact CB-CG1 3.98Å; A374-I435 HydrophobicContact CB-CG2 3.62Å |
| 375 | M | 76.4 | Confident | 76.4 | Confident | 66 Ų | 66 | 48.7 Ų | 48.7 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.8 | -176.5 | -81.6 | 173.5 | 61.2 | 0 | 0 | 114.2 | A31 Y32 K371 W529 | A31-M375 WeakPolarHBondContact O-CE 3.46Å; Y32-M375 HydrophobicContact CE1-CB 4.45Å; Y32-M375 VanDerWaalsContact CE1-O 3.22Å; Y32-M375 WeakPolarHBondContact CE1-O 3.38Å; Y32-M375 VanDerWaalsContact CZ-O 3.31Å; Y32-M375 PolarHBondContact OH-O 3.18Å; K371-M375 WeakPolarHBondContact O-CB 3.3Å; K371-M375 VanDerWaalsContact O-CG 3.25Å; K371-M375 WeakPolarHBondContact O-CG 3.49Å; K371-M375 PolarHBondContact O-N 2.73Å; M375-W529 HydrophobicContact CG-CH2 3.75Å; M375-W529 HydrophobicContact CG-CZ2 4.42Å; M375-W529 HydrophobicContact SD-CH2 4.45Å |
| 376 | P | 68.8 | Low | 74.3 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 34% | 0.338 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26.5 | 170.2 | -24.7 | 36.2 | 0 | 0 | 0 | 114.3 | V141 E372 A374 | V141-P376 VanDerWaalsContact CA-O 3.31Å; V141-P376 WeakPolarHBondContact CA-O 3.4Å; V141-P376 HydrophobicContact CG1-CB 3.45Å; V141-P376 VanDerWaalsContact CG1-CB 3.45Å; E372-P376 WeakPolarHBondContact O-CD 3.41Å; A374-P376 VanDerWaalsContact C-N 3.3Å |
| 377 | I | 75.1 | Confident | 72 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 28% | 0.277 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 4.2 | -167.1 | 58.5 | 157.5 | 0 | 0 | 0 | 115.9 | V141 A374 K379 A402 L404 | V141-I377 HydrophobicContact CG1-CG2 4.14Å; V141-I377 HydrophobicContact CG2-CG2 3.96Å; A374-I377 CarbonylContact O-C 3.53Å; A374-I377 WeakPolarHBondContact O-CG1 3.47Å; A374-I377 PolarHBondContact O-N 2.68Å; I377-K379 PolarHBondContact O-N 2.94Å; I377-A402 HydrophobicContact CD1-CB 3.89Å; I377-A402 HydrophobicContact CG1-CB 3.71Å; I377-L404 HydrophobicContact CD1-CD2 3.72Å; I377-L404 HydrophobicContact CD1-CG 4.48Å |
| 378 | L | 69.8 | Low | 69.8 | Low | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | trans | -63.9 | 123.4 | 173.9 | -75.5 | 164.4 | 0 | 0 | 0 | 111.1 | A31 Y32 A374 K400 A402 N437 W529 | A31-L378 HydrophobicContact CB-CD1 4.22Å; Y32-L378 HydrophobicContact CE2-CD1 4.32Å; Y32-L378 WeakPolarHBondContact OH-CB 3.24Å; A374-L378 WeakPolarHBondContact O-CG 3.44Å; A374-L378 PolarHBondContact O-N 3.42Å; L378-K400 HydrophobicContact CB-CB 4.08Å; L378-K400 HydrophobicContact CD2-CB 4.24Å; L378-A402 HydrophobicContact CD2-CB 3.82Å; L378-A402 HydrophobicContact CG-CB 4.02Å; L378-N437 HydrophobicContact CD1-CB 4.43Å; L378-W529 HydrophobicContact CD1-CH2 3.71Å; L378-W529 HydrophobicContact CD1-CZ3 3.87Å | ||
| 379 | K | 66.5 | Low | 67.9 | Low | 142 Ų | 142 | 52.4 Ų | 52.4 | 62% | 0.617 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 164.3 | 171.9 | -63.9 | -167.8 | 174.4 | -163.4 | 0 | 110.7 | I377 A381 K400 S401 | I377-K379 PolarHBondContact O-N 2.94Å; K379-A381 PolarHBondContact O-N 3.16Å; K379-K400 CarbonylContact O-C 3.35Å; K379-K400 WeakPolarHBondContact O-CA 3.26Å; K379-K400 WeakPolarHBondContact O-CB 3.24Å; K379-S401 PolarHBondContact N-O 3.01Å; K379-S401 PolarHBondContact O-N 3.45Å |
| 380 | R | 64.8 | Low | 65.8 | Low | 57 Ų | 57 | 56.9 Ų | 56.9 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 131.1 | 174 | -171.1 | -176.5 | -173.1 | 104.8 | 7.7 | 110 | A23 E25 T382 T393 | A23-R380 VanDerWaalsContact CB-NH1 3.31Å; A23-R380 WeakPolarHBondContact O-CD 3.43Å; A23-R380 PolarHBondContact O-NH1 3.04Å; A23-R380 VanDerWaalsContact O-NH1 3.11Å; E25-R380 IonicContact OE1-CZ 2.79Å; E25-R380 IonicContact OE1-NH1 2.61Å; E25-R380 PolarHBondContact OE1-NH1 3.32Å; E25-R380 IonicContact OE1-NH2 2.68Å; E25-R380 PolarHBondContact OE1-NH2 3.13Å; E25-R380 IonicContact OE2-NH1 3.93Å; E25-R380 IonicContact OE2-NH2 3.56Å; R380-T382 PolarHBondContact O-N 3.41Å; R380-T393 HydrophobicContact CG-CG2 4.42Å |
| 381 | A | 60.7 | Low | 63.9 | Low | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 129.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K379 R397 S399 S401 | K379-A381 PolarHBondContact O-N 3.16Å; A381-R397 HydrophobicContact CB-CG 4.42Å; A381-S399 VanDerWaalsContact CB-O 3.29Å; A381-S399 WeakPolarHBondContact CB-O 2.92Å; A381-S399 WeakPolarHBondContact CB-OG 3.45Å; A381-S399 PolarHBondContact N-O 3.32Å; A381-S401 WeakPolarHBondContact CA-OG 3.03Å |
| 382 | T | 59.9 | Low | 62 | Low | 46 Ų | 46 | 64 Ų | 64 | 28% | 0.282 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 165.8 | 172.5 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | R380 L391 E392 T393 R397 | R380-T382 PolarHBondContact O-N 3.41Å; T382-L391 HydrophobicContact CG2-CB 4.46Å; T382-E392 CarbonylContact C-O 3.42Å; T382-E392 WeakPolarHBondContact CA-O 3.23Å; T382-T393 HydrophobicContact CG2-CG2 4.1Å; T382-R397 PolarHBondContact O-NH1 2.79Å |
| 383 | V | 56.4 | Low | 60.5 | Low | 12 Ų | 12 | 61.2 Ų | 61.2 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153 | 170.6 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | L391 E392 A394 Y396 R397 | V383-L391 WeakPolarHBondContact O-CA 3.44Å; V383-E392 WeakPolarHBondContact CG2-O 3.37Å; V383-E392 PolarHBondContact N-O 2.97Å; V383-E392 PolarHBondContact O-N 2.79Å; V383-A394 HydrophobicContact CG2-CB 3.5Å; V383-Y396 HydrophobicContact CB-CE2 4.49Å; V383-Y396 HydrophobicContact CG1-CE2 3.94Å; V383-Y396 HydrophobicContact CG2-CE2 4.38Å; V383-R397 HydrophobicContact CG1-CB 3.85Å; V383-R397 VanDerWaalsContact CG1-CD 3.49Å; V383-R397 HydrophobicContact CG1-CG 4.27Å |
| 384 | H | 53.9 | Low | 58.8 | Low | 67 Ų | 67 | 59.7 Ų | 59.7 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 117.1 | 173 | -178 | -75.7 | 0 | 0 | 0 | 109.7 | A386 L391 T458 | H384-A386 PolarHBondContact O-N 2.7Å; H384-L391 HydrophobicContact CB-CD2 4.37Å; H384-T458 VanDerWaalsContact CE1-CG2 3.44Å; H384-T458 WeakPolarHBondContact CE1-CG2 3.47Å; H384-T458 WeakPolarHBondContact ND1-CG2 3.21Å |
| 385 | N | 54.5 | Low | 57.4 | Low | 45 Ų | 45 | 63.4 Ų | 63.4 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 111.9 | 174.4 | 177.1 | -17.3 | 0 | 0 | 0 | 109.8 | A387 T388 G389 K390 E392 | N385-A387 PolarHBondContact O-N 2.87Å; N385-A387 WeakPolarHBondContact OD1-CB 3.23Å; N385-A387 PolarHBondContact OD1-N 3.31Å; N385-T388 VanDerWaalsContact CB-OG1 3.32Å; N385-T388 WeakPolarHBondContact CB-OG1 3.38Å; N385-T388 PolarHBondContact O-N 3.47Å; N385-T388 PolarHBondContact OD1-N 3.49Å; N385-G389 PolarHBondContact O-N 3.35Å; N385-K390 PolarHBondContact N-O 3.33Å; N385-E392 HydrophobicContact CB-CG 4.32Å; N385-E392 VanDerWaalsContact ND2-CD 3.33Å; N385-E392 PolarHBondContact ND2-OE1 3.24Å; N385-E392 PolarHBondContact ND2-OE2 2.91Å |
| 386 | A | 47.6 | Very low | 56.6 | Low | 68 Ų | 68 | 65.3 Ų | 65.3 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H384 D456 | H384-A386 PolarHBondContact O-N 2.7Å; A386-D456 WeakPolarHBondContact CB-OD2 3.45Å |
| 387 | A | 46.8 | Very low | 56.1 | Low | 94 Ų | 94 | 63.5 Ų | 63.5 | 78% | 0.777 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -23.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N385 | N385-A387 PolarHBondContact O-N 2.87Å; N385-A387 WeakPolarHBondContact OD1-CB 3.23Å; N385-A387 PolarHBondContact OD1-N 3.31Å |
| 388 | T | 47.9 | Very low | 55.7 | Low | 70 Ų | 70 | 61.2 Ų | 61.2 | 43% | 0.429 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -16.6 | -176.1 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | N385 K390 E392 | N385-T388 VanDerWaalsContact CB-OG1 3.32Å; N385-T388 WeakPolarHBondContact CB-OG1 3.38Å; N385-T388 PolarHBondContact O-N 3.47Å; N385-T388 PolarHBondContact OD1-N 3.49Å; T388-K390 PolarHBondContact O-N 3.07Å; T388-K390 PolarHBondContact OG1-N 3.03Å; T388-E392 WeakPolarHBondContact CB-OE1 3.45Å; T388-E392 PolarHBondContact OG1-OE1 3.18Å |
| 389 | G | 49.2 | Very low | 55.9 | Low | 52 Ų | 52 | 60.6 Ų | 60.6 | 54% | 0.536 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 15.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N385 | N385-G389 PolarHBondContact O-N 3.35Š|
| 390 | K | 47.3 | Very low | 56.1 | Low | 128 Ų | 128 | 54.8 Ų | 54.8 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 153 | -174.3 | -67.1 | -176.3 | 177.7 | -175.6 | 0 | 112.3 | N385 T388 E392 | N385-K390 PolarHBondContact N-O 3.33Å; T388-K390 PolarHBondContact O-N 3.07Å; T388-K390 PolarHBondContact OG1-N 3.03Å; K390-E392 HydrophobicContact CB-CG 4.26Å |
| 391 | L | 52.6 | Low | 57 | Low | 121 Ų | 121 | 52.4 Ų | 52.4 | 63% | 0.634 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 118.1 | 165.1 | -70.7 | 178.3 | 0 | 0 | 0 | 109.3 | T382 V383 H384 | T382-L391 HydrophobicContact CG2-CB 4.46Å; V383-L391 WeakPolarHBondContact O-CA 3.44Å; H384-L391 HydrophobicContact CB-CD2 4.37Å |
| 392 | E | 48.3 | Very low | 58 | Low | 69 Ų | 69 | 52.4 Ų | 52.4 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.5 | -176.5 | -68.7 | 173.3 | -160.3 | 0 | 0 | 110.4 | T382 V383 N385 T388 K390 | T382-E392 CarbonylContact C-O 3.42Å; T382-E392 WeakPolarHBondContact CA-O 3.23Å; V383-E392 WeakPolarHBondContact CG2-O 3.37Å; V383-E392 PolarHBondContact N-O 2.97Å; V383-E392 PolarHBondContact O-N 2.79Å; N385-E392 HydrophobicContact CB-CG 4.32Å; N385-E392 VanDerWaalsContact ND2-CD 3.33Å; N385-E392 PolarHBondContact ND2-OE1 3.24Å; N385-E392 PolarHBondContact ND2-OE2 2.91Å; T388-E392 WeakPolarHBondContact CB-OE1 3.45Å; T388-E392 PolarHBondContact OG1-OE1 3.18Å; K390-E392 HydrophobicContact CB-CG 4.26Å |
| 393 | T | 53.9 | Low | 59.3 | Low | 79 Ų | 79 | 54.8 Ų | 54.8 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | trans | -92.7 | 107.2 | 176.5 | 48.4 | 0 | 0 | 0 | 0 | 110 | R380 T382 | R380-T393 HydrophobicContact CG-CG2 4.42Å; T382-T393 HydrophobicContact CG2-CG2 4.1Å | ||
| 394 | A | 51.5 | Low | 60.8 | Low | 16 Ų | 16 | 54.4 Ų | 54.4 | 13% | 0.132 | 32% | 0.318 | C | S | . | . | trans | -97.8 | 143.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | V383 Y396 R397 | V383-A394 HydrophobicContact CG2-CB 3.5Å; A394-Y396 HydrophobicContact CB-CD1 3.53Å; A394-Y396 HydrophobicContact CB-CD2 4.25Å; A394-Y396 HydrophobicContact CB-CE1 3.43Å; A394-Y396 VanDerWaalsContact CB-CE1 3.43Å; A394-Y396 HydrophobicContact CB-CE2 4.18Å; A394-Y396 HydrophobicContact CB-CG 3.94Å; A394-Y396 PolarHBondContact O-N 3.04Å; A394-R397 PolarHBondContact O-N 3.26Å | ||
| 395 | A | 54.5 | Low | 62.4 | Low | 78 Ų | 78 | 56.7 Ų | 56.7 | 65% | 0.645 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H443 | A395-H443 PolarHBondContact O-CE1 3.28Š|
| 396 | Y | 59.7 | Low | 63.7 | Low | 105 Ų | 105 | 56.7 Ų | 56.7 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -5.9 | -179 | 70.1 | -112.2 | 0 | 0 | 0 | 114.4 | V383 A394 Y444 D445 | V383-Y396 HydrophobicContact CB-CE2 4.49Å; V383-Y396 HydrophobicContact CG1-CE2 3.94Å; V383-Y396 HydrophobicContact CG2-CE2 4.38Å; A394-Y396 HydrophobicContact CB-CD1 3.53Å; A394-Y396 HydrophobicContact CB-CD2 4.25Å; A394-Y396 HydrophobicContact CB-CE1 3.43Å; A394-Y396 VanDerWaalsContact CB-CE1 3.43Å; A394-Y396 HydrophobicContact CB-CE2 4.18Å; A394-Y396 HydrophobicContact CB-CG 3.94Å; A394-Y396 PolarHBondContact O-N 3.04Å; Y396-Y444 HydrophobicContact CD2-CD2 4.35Å; Y396-Y444 HydrophobicContact CD2-CE2 4Å; Y396-Y444 HydrophobicContact CE2-CE2 4.03Å; Y396-Y444 WeakPolarHBondContact O-CA 3.4Å; Y396-Y444 WeakPolarHBondContact O-CD2 3.2Å; Y396-D445 VanDerWaalsContact CA-OD2 3.25Å; Y396-D445 WeakPolarHBondContact CA-OD2 3.42Å; Y396-D445 WeakPolarHBondContact CB-OD2 3.49Å; Y396-D445 PolarHBondContact O-N 3.45Å |
| 397 | R | 58.2 | Low | 65.4 | Low | 15 Ų | 15 | 61 Ų | 61 | 6% | 0.057 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 107.8 | 174.7 | -174.4 | -179 | -168.6 | -156.2 | -0.1 | 110.2 | A381 T382 V383 A394 Y444 | A381-R397 HydrophobicContact CB-CG 4.42Å; T382-R397 PolarHBondContact O-NH1 2.79Å; V383-R397 HydrophobicContact CG1-CB 3.85Å; V383-R397 VanDerWaalsContact CG1-CD 3.49Å; V383-R397 HydrophobicContact CG1-CG 4.27Å; A394-R397 PolarHBondContact O-N 3.26Å; R397-Y444 HydrophobicContact CB-CD2 3.66Å; R397-Y444 HydrophobicContact CB-CE2 3.73Å; R397-Y444 HydrophobicContact CB-CG 4.19Å; R397-Y444 HydrophobicContact CG-CD1 3.88Å; R397-Y444 HydrophobicContact CG-CD2 3.72Å; R397-Y444 HydrophobicContact CG-CE1 4.01Å; R397-Y444 HydrophobicContact CG-CE2 3.85Å; R397-Y444 HydrophobicContact CG-CG 3.76Å; R397-Y444 VanDerWaalsContact NE-CE1 3.31Å |
| 398 | I | 66.3 | Low | 67.2 | Low | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 99.4 | -175.3 | -63 | -168.8 | 0 | 0 | 0 | 110.7 | E25 T28 R161 Y438 G442 H443 | E25-I398 WeakPolarHBondContact OE2-CG2 3.49Å; T28-I398 VanDerWaalsContact CB-CG2 3.45Å; T28-I398 HydrophobicContact CG2-CG2 3.63Å; T28-I398 VanDerWaalsContact OG1-CG2 3.25Å; T28-I398 WeakPolarHBondContact OG1-CG2 3.36Å; R161-I398 VanDerWaalsContact NH2-CD1 3.33Å; I398-Y438 WeakPolarHBondContact O-CD1 3.44Å; I398-G442 CarbonylContact O-C 3.14Å; I398-G442 WeakPolarHBondContact O-CA 3.4Å; I398-H443 CarbonylContact C-O 3.39Å; I398-H443 PolarHBondContact N-O 3.2Å; I398-H443 PolarHBondContact O-N 2.82Å |
| 399 | S | 73.5 | Confident | 69.3 | Low | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | trans | -161 | 167.2 | 174.5 | 46.8 | 0 | 0 | 0 | 0 | 108.9 | A381 N437 | A381-S399 VanDerWaalsContact CB-O 3.29Å; A381-S399 WeakPolarHBondContact CB-O 2.92Å; A381-S399 WeakPolarHBondContact CB-OG 3.45Å; A381-S399 PolarHBondContact N-O 3.32Å; S399-N437 WeakPolarHBondContact CA-O 3.36Å; S399-N437 VanDerWaalsContact CB-O 3.25Å; S399-N437 WeakPolarHBondContact CB-O 3.4Å | ||
| 400 | K | 71.2 | Confident | 71.3 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 8% | 0.083 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 142 | 158.9 | -64.5 | -178.6 | -167.2 | 152.8 | 0 | 109.7 | E25 S29 Y32 L378 K379 A436 N437 | E25-K400 WeakPolarHBondContact O-CE 3.31Å; E25-K400 PolarHBondContact O-NZ 2.82Å; S29-K400 VanDerWaalsContact CB-CD 3.45Å; S29-K400 VanDerWaalsContact CB-CG 3.49Å; S29-K400 WeakPolarHBondContact OG-CD 3.35Å; Y32-K400 HydrophobicContact CE2-CD 4.46Å; L378-K400 HydrophobicContact CB-CB 4.08Å; L378-K400 HydrophobicContact CD2-CB 4.24Å; K379-K400 CarbonylContact O-C 3.35Å; K379-K400 WeakPolarHBondContact O-CA 3.26Å; K379-K400 WeakPolarHBondContact O-CB 3.24Å; K400-A436 CarbonylContact O-C 3.08Å; K400-A436 VanDerWaalsContact O-CA 3.31Å; K400-A436 WeakPolarHBondContact O-CA 3.27Å; K400-N437 PolarHBondContact N-O 3.49Å; K400-N437 PolarHBondContact O-N 2.77Å |
| 401 | S | 82.3 | Confident | 73.4 | Confident | 8 Ų | 8 | 56 Ų | 56 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.3 | 179.5 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | K379 A381 I435 | K379-S401 PolarHBondContact N-O 3.01Å; K379-S401 PolarHBondContact O-N 3.45Å; A381-S401 WeakPolarHBondContact CA-OG 3.03Å; S401-I435 CarbonylContact C-O 3.41Å; S401-I435 VanDerWaalsContact CA-O 3.25Å; S401-I435 WeakPolarHBondContact CA-O 3.27Å |
| 402 | A | 83.5 | Confident | 75.3 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 161.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | A374 I377 L378 Q434 I435 | A374-A402 HydrophobicContact CB-CB 3.97Å; I377-A402 HydrophobicContact CD1-CB 3.89Å; I377-A402 HydrophobicContact CG1-CB 3.71Å; L378-A402 HydrophobicContact CD2-CB 3.82Å; L378-A402 HydrophobicContact CG-CB 4.02Å; A402-Q434 CarbonylContact O-C 3.56Å; A402-Q434 VanDerWaalsContact O-CA 3.23Å; A402-Q434 WeakPolarHBondContact O-CA 3.36Å; A402-I435 HydrophobicContact CB-CB 4.26Å; A402-I435 PolarHBondContact N-O 3.42Å; A402-I435 PolarHBondContact O-N 3.05Å |
| 403 | W | 86.8 | Confident | 77.4 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 114.2 | 179.5 | -62 | 90.5 | 0 | 0 | 0 | 109.9 | E431 L432 Q434 W534 | W403-E431 WeakPolarHBondContact CH2-OE2 3.1Å; W403-E431 HydrophobicContact CZ3-CB 4.32Å; W403-E431 WeakPolarHBondContact CZ3-OE2 3.04Å; W403-L432 HydrophobicContact CB-CB 4.19Å; W403-L432 HydrophobicContact CB-CD1 4.26Å; W403-L432 HydrophobicContact CE3-CB 4.11Å; W403-Q434 HydrophobicContact CD2-CB 4.11Å; W403-Q434 HydrophobicContact CD2-CG 4.3Å; W403-Q434 HydrophobicContact CE3-CB 3.67Å; W403-Q434 HydrophobicContact CE3-CG 4.32Å; W403-Q434 HydrophobicContact CH2-CB 4.33Å; W403-Q434 HydrophobicContact CZ3-CB 3.79Å; W403-Q434 HydrophobicContact CZ3-CG 4.46Å; W403-W534 HydrophobicContact CH2-CE3 4.28Å; W403-W534 AromaticContact CH2-CZ3 3.7Å; W403-W534 HydrophobicContact CH2-CZ3 3.7Å; W403-W534 HydrophobicContact CZ3-CE3 4.15Å; W403-W534 AromaticContact CZ3-CZ3 3.82Å; W403-W534 HydrophobicContact CZ3-CZ3 3.82Å |
| 404 | L | 88.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.5 | -179.9 | -64.1 | 174.3 | 0 | 0 | 0 | 110.5 | I370 L373 I377 V412 L433 I435 | I370-L404 HydrophobicContact CG2-CD1 4.15Å; L373-L404 HydrophobicContact CB-CD1 4Å; L373-L404 HydrophobicContact CB-CD2 3.81Å; I377-L404 HydrophobicContact CD1-CD2 3.72Å; I377-L404 HydrophobicContact CD1-CG 4.48Å; L404-V412 HydrophobicContact CB-CG1 4Å; L404-V412 HydrophobicContact CB-CG2 4.14Å; L404-V412 HydrophobicContact CD1-CG2 3.94Å; L404-L433 HydrophobicContact CB-CB 4.47Å; L404-L433 PolarHBondContact N-O 2.97Å; L404-L433 PolarHBondContact O-N 2.95Å; L404-I435 HydrophobicContact CD1-CD1 4.28Å; L404-I435 HydrophobicContact CD1-CG1 3.69Å; L404-I435 HydrophobicContact CG-CG1 4.17Å |
| 405 | K | 87.1 | Confident | 81.2 | Confident | 115 Ų | 115 | 52.3 Ų | 52.3 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | trans | -78.9 | 148.9 | 172.7 | -51 | 169.1 | -173.5 | 166.3 | 0 | 109.7 | L407 D408 V412 L432 | K405-L407 PolarHBondContact O-N 3.29Å; K405-D408 WeakPolarHBondContact CB-OD2 3.31Å; K405-D408 PolarHBondContact N-OD2 3.02Å; K405-D408 WeakPolarHBondContact O-CB 3.45Å; K405-D408 PolarHBondContact O-N 3.39Å; K405-V412 WeakPolarHBondContact O-CG1 3.25Å; K405-L432 HydrophobicContact CB-CD2 4.25Å; K405-L432 HydrophobicContact CG-CD1 3.83Å; K405-L432 HydrophobicContact CG-CD2 3.88Å; K405-L432 HydrophobicContact CG-CG 4.42Å | ||
| 406 | D | 81.2 | Confident | 83 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20 | 174.4 | -62 | 37.2 | 0 | 0 | 0 | 113.1 | K413 C416 K533 | D406-K413 VanDerWaalsContact O-CB 3.32Å; D406-K413 WeakPolarHBondContact O-CB 3.12Å; D406-C416 WeakPolarHBondContact OD2-CB 3.31Å; D406-C416 PolarHBondContact OD2-SG 3.18Å; D406-K533 IonicContact OD1-NZ 2.68Å; D406-K533 PolarHBondContact OD1-NZ 2.76Å; D406-K533 IonicContact OD2-NZ 3.48Å |
| 407 | L | 84 | Confident | 84.4 | Confident | 160 Ų | 160 | 48 Ų | 48 | 84% | 0.838 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -13.2 | 175.2 | -65.6 | 178.7 | 0 | 0 | 0 | 115 | K405 H409 | K405-L407 PolarHBondContact O-N 3.29Å; L407-H409 VanDerWaalsContact C-N 3.31Å; L407-H409 PolarHBondContact O-N 3.02Å |
| 408 | D | 84 | Confident | 86.1 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -29.9 | -172.2 | -65.8 | -18.3 | 0 | 0 | 0 | 112.1 | K405 | K405-D408 WeakPolarHBondContact CB-OD2 3.31Å; K405-D408 PolarHBondContact N-OD2 3.02Å; K405-D408 WeakPolarHBondContact O-CB 3.45Å; K405-D408 PolarHBondContact O-N 3.39Å |
| 409 | H | 91.9 | Very high | 87.3 | Confident | 71 Ų | 71 | 49 Ų | 49 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | trans | -158.6 | 146.6 | 170.7 | -166.8 | -115.1 | 0 | 0 | 0 | 112.6 | V369 L373 L407 V411 V412 K413 | V369-H409 VanDerWaalsContact CG1-CE1 3.5Å; V369-H409 WeakPolarHBondContact CG1-CE1 3.44Å; V369-H409 VanDerWaalsContact CG1-ND1 3.27Å; V369-H409 WeakPolarHBondContact CG1-ND1 3.33Å; L373-H409 HydrophobicContact CD1-CB 3.38Å; L373-H409 HydrophobicContact CD2-CB 4.17Å; L373-H409 HydrophobicContact CG-CB 4.42Å; L407-H409 VanDerWaalsContact C-N 3.31Å; L407-H409 PolarHBondContact O-N 3.02Å; H409-V411 WeakPolarHBondContact ND1-CG2 3.49Å; H409-V411 PolarHBondContact ND1-N 3.47Å; H409-V411 PolarHBondContact O-N 3.07Å; H409-V412 HydrophobicContact CB-CG2 4.3Å; H409-V412 PolarHBondContact O-N 3.26Å; H409-K413 PolarHBondContact O-N 2.88Å | ||
| 410 | P | 91 | Very high | 88.1 | Confident | 84 Ų | 84 | 51 Ų | 51 | 55% | 0.545 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57 | -22 | 177.8 | -29.3 | 37.8 | 0 | 0 | 0 | 115.8 | R414 | P410-R414 WeakPolarHBondContact O-CG 3.36Å; P410-R414 PolarHBondContact O-N 2.86Å; P410-R414 VanDerWaalsContact O-N 3.17Å |
| 411 | V | 92.9 | Very high | 89 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -47.2 | 170.8 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | E366 V369 I370 H409 K413 R414 V415 | E366-V411 HydrophobicContact CB-CG1 3.77Å; E366-V411 HydrophobicContact CG-CG1 3.83Å; V369-V411 HydrophobicContact CB-CG2 4.21Å; V369-V411 HydrophobicContact CG1-CB 4.01Å; V369-V411 HydrophobicContact CG1-CG1 4.45Å; V369-V411 HydrophobicContact CG1-CG2 3.76Å; I370-V411 HydrophobicContact CD1-CG1 3.93Å; I370-V411 HydrophobicContact CG1-CG1 3.89Å; H409-V411 WeakPolarHBondContact ND1-CG2 3.49Å; H409-V411 PolarHBondContact ND1-N 3.47Å; H409-V411 PolarHBondContact O-N 3.07Å; V411-K413 VanDerWaalsContact C-N 3.3Å; V411-K413 PolarHBondContact O-N 2.8Å; V411-R414 PolarHBondContact O-N 3.26Å; V411-V415 WeakPolarHBondContact O-CG2 3.46Å; V411-V415 PolarHBondContact O-N 3.44Å |
| 412 | V | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | -179.3 | -175.1 | 0 | 0 | 0 | 0 | 110 | L373 L404 K405 H409 V415 C416 L433 | L373-V412 HydrophobicContact CD1-CG2 4Å; L404-V412 HydrophobicContact CB-CG1 4Å; L404-V412 HydrophobicContact CB-CG2 4.14Å; L404-V412 HydrophobicContact CD1-CG2 3.94Å; K405-V412 WeakPolarHBondContact O-CG1 3.25Å; H409-V412 HydrophobicContact CB-CG2 4.3Å; H409-V412 PolarHBondContact O-N 3.26Å; V412-V415 PolarHBondContact O-N 2.77Å; V412-C416 PolarHBondContact O-N 3.14Å; V412-C416 PolarHBondContact O-SG 2.84Å; V412-L433 HydrophobicContact CG1-CB 4.22Å; V412-L433 HydrophobicContact CG1-CD2 4.03Å |
| 413 | K | 91.5 | Very high | 89.8 | Confident | 100 Ų | 100 | 51.9 Ų | 51.9 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.1 | -54.1 | 172.2 | -173 | 165.5 | 169.5 | 168.8 | 0 | 112.4 | D406 H409 V411 V415 C416 E417 | D406-K413 VanDerWaalsContact O-CB 3.32Å; D406-K413 WeakPolarHBondContact O-CB 3.12Å; H409-K413 PolarHBondContact O-N 2.88Å; V411-K413 VanDerWaalsContact C-N 3.3Å; V411-K413 PolarHBondContact O-N 2.8Å; K413-V415 VanDerWaalsContact C-N 3.26Å; K413-V415 PolarHBondContact O-N 3.29Å; K413-C416 PolarHBondContact O-N 3.36Å; K413-E417 WeakPolarHBondContact CE-OE1 3.35Å; K413-E417 HydrophobicContact CG-CG 4.31Å; K413-E417 IonicContact NZ-OE1 3.61Å; K413-E417 WeakPolarHBondContact O-CG 3.31Å; K413-E417 PolarHBondContact O-N 3.2Å |
| 414 | R | 92.7 | Very high | 89.7 | Confident | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.408 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -33.6 | -179.7 | -73.3 | -167.4 | -41.7 | -98.7 | 7.3 | 113 | E366 P410 V411 R418 | E366-R414 IonicContact OE1-CZ 3.22Å; E366-R414 IonicContact OE1-NE 3.67Å; E366-R414 PolarHBondContact OE1-NE 2.88Å; E366-R414 IonicContact OE1-NH2 2.76Å; E366-R414 PolarHBondContact OE1-NH2 2.57Å; P410-R414 WeakPolarHBondContact O-CG 3.36Å; P410-R414 PolarHBondContact O-N 2.86Å; P410-R414 VanDerWaalsContact O-N 3.17Å; V411-R414 PolarHBondContact O-N 3.26Å; R414-R418 WeakPolarHBondContact O-CB 3.25Å; R414-R418 PolarHBondContact O-N 2.85Å |
| 415 | V | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | 174.1 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | M362 I370 V411 V412 K413 R418 V419 L433 F473 | M362-V415 HydrophobicContact CE-CG1 4.1Å; M362-V415 HydrophobicContact CE-CG2 4.1Å; I370-V415 HydrophobicContact CD1-CG2 3.98Å; V411-V415 WeakPolarHBondContact O-CG2 3.46Å; V411-V415 PolarHBondContact O-N 3.44Å; V412-V415 PolarHBondContact O-N 2.77Å; K413-V415 VanDerWaalsContact C-N 3.26Å; K413-V415 PolarHBondContact O-N 3.29Å; V415-R418 CarbonylContact O-C 3.6Å; V415-R418 WeakPolarHBondContact O-CB 3.29Å; V415-R418 PolarHBondContact O-N 2.83Å; V415-V419 WeakPolarHBondContact O-CG2 3.44Å; V415-V419 PolarHBondContact O-N 2.92Å; V415-L433 HydrophobicContact CG1-CD2 4.19Å; V415-F473 HydrophobicContact CG1-CE1 4.42Å; V415-F473 HydrophobicContact CG1-CE2 3.94Å; V415-F473 HydrophobicContact CG1-CZ 3.79Å |
| 416 | C | 91.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71 | -38.9 | 177.8 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | D406 V412 K413 R418 V419 D420 M427 K533 | D406-C416 WeakPolarHBondContact OD2-CB 3.31Å; D406-C416 PolarHBondContact OD2-SG 3.18Å; V412-C416 PolarHBondContact O-N 3.14Å; V412-C416 PolarHBondContact O-SG 2.84Å; K413-C416 PolarHBondContact O-N 3.36Å; C416-R418 PolarHBondContact O-N 2.94Å; C416-V419 WeakPolarHBondContact O-CA 3.34Å; C416-V419 WeakPolarHBondContact O-CB 3.16Å; C416-V419 PolarHBondContact O-N 2.73Å; C416-D420 PolarHBondContact O-N 2.99Å; C416-D420 VanDerWaalsContact O-N 3.12Å; C416-M427 WeakPolarHBondContact O-CG 3.18Å; C416-K533 PolarHBondContact SG-NZ 3.06Å; C416-K533 VanDerWaalsContact SG-NZ 3.41Å |
| 417 | E | 90.4 | Very high | 89.3 | Confident | 91 Ų | 91 | 47.4 Ų | 47.4 | 43% | 0.425 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -33.9 | 169.4 | -69.2 | 171.9 | 154.8 | 0 | 0 | 112.1 | K413 M421 | K413-E417 WeakPolarHBondContact CE-OE1 3.35Å; K413-E417 HydrophobicContact CG-CG 4.31Å; K413-E417 IonicContact NZ-OE1 3.61Å; K413-E417 WeakPolarHBondContact O-CG 3.31Å; K413-E417 PolarHBondContact O-N 3.2Å; E417-M421 WeakPolarHBondContact O-CE 3.47Å; E417-M421 WeakPolarHBondContact O-CG 3.29Å; E417-M421 PolarHBondContact O-N 3.11Å |
| 418 | R | 93.2 | Very high | 88.9 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.9 | -32.6 | 173.4 | -168.5 | -178.1 | -55 | 144.2 | 5.9 | 112.3 | V361 E366 R414 V415 C416 M421 M422 | V361-R418 WeakPolarHBondContact O-CD 3.22Å; V361-R418 PolarHBondContact O-NH1 3Å; E366-R418 VanDerWaalsContact CD-NH2 3.32Å; E366-R418 IonicContact OE1-CZ 2.69Å; E366-R418 IonicContact OE1-NH1 3.97Å; E366-R418 IonicContact OE1-NH2 3.41Å; E366-R418 PolarHBondContact OE1-NH2 3.13Å; E366-R418 IonicContact OE2-CZ 3.99Å; E366-R418 VanDerWaalsContact OE2-CZ 3.25Å; E366-R418 IonicContact OE2-NH1 3.05Å; E366-R418 PolarHBondContact OE2-NH1 2.86Å; E366-R418 IonicContact OE2-NH2 3.89Å; E366-R418 PolarHBondContact OE2-NH2 3.5Å; R414-R418 WeakPolarHBondContact O-CB 3.25Å; R414-R418 PolarHBondContact O-N 2.85Å; V415-R418 CarbonylContact O-C 3.6Å; V415-R418 WeakPolarHBondContact O-CB 3.29Å; V415-R418 PolarHBondContact O-N 2.83Å; C416-R418 PolarHBondContact O-N 2.94Å; R418-M421 PolarHBondContact O-N 3.03Å; R418-M422 WeakPolarHBondContact O-CB 3.5Å; R418-M422 VanDerWaalsContact O-CG 3.31Å; R418-M422 WeakPolarHBondContact O-CG 3.43Å; R418-M422 PolarHBondContact O-N 3.12Å |
| 419 | V | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 171.6 | 176.9 | 0 | 0 | 0 | 0 | 111 | V415 C416 M421 M422 T423 M427 V471 F473 K533 | V415-V419 WeakPolarHBondContact O-CG2 3.44Å; V415-V419 PolarHBondContact O-N 2.92Å; C416-V419 WeakPolarHBondContact O-CA 3.34Å; C416-V419 WeakPolarHBondContact O-CB 3.16Å; C416-V419 PolarHBondContact O-N 2.73Å; V419-M421 PolarHBondContact O-N 3.38Å; V419-M422 HydrophobicContact CG2-CE 4.13Å; V419-M422 PolarHBondContact O-N 2.84Å; V419-T423 HydrophobicContact CG1-CG2 3.93Å; V419-T423 WeakPolarHBondContact O-CB 2.98Å; V419-T423 WeakPolarHBondContact O-CG2 3.47Å; V419-T423 PolarHBondContact O-N 2.84Å; V419-T423 PolarHBondContact O-OG1 2.74Å; V419-M427 HydrophobicContact CB-CE 4.29Å; V419-M427 HydrophobicContact CB-SD 3.79Å; V419-M427 HydrophobicContact CG1-CE 3.52Å; V419-M427 HydrophobicContact CG1-SD 3.56Å; V419-M427 VanDerWaalsContact CG1-SD 3.56Å; V419-V471 HydrophobicContact CG1-CG2 4.05Å; V419-F473 HydrophobicContact CG2-CE2 3.87Å; V419-F473 HydrophobicContact CG2-CZ 3.77Å; V419-K533 HydrophobicContact CG1-CG 4.41Å; V419-K533 HydrophobicContact CG2-CG 4.47Å |
| 420 | D | 89.8 | Confident | 87.9 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.2 | -55.1 | 172.7 | 165.3 | -81.4 | 0 | 0 | 0 | 110.5 | R336 C416 M422 T423 D424 L425 M427 | R336-D420 IonicContact CZ-OD1 2.69Å; R336-D420 IonicContact NH1-OD1 3.38Å; R336-D420 PolarHBondContact NH1-OD1 2.7Å; R336-D420 IonicContact NH1-OD2 2.73Å; R336-D420 PolarHBondContact NH1-OD2 2.79Å; C416-D420 PolarHBondContact O-N 2.99Å; C416-D420 VanDerWaalsContact O-N 3.12Å; D420-M422 VanDerWaalsContact C-N 3.32Å; D420-M422 PolarHBondContact O-N 3.27Å; D420-T423 PolarHBondContact O-N 3.15Å; D420-D424 VanDerWaalsContact O-CA 3.25Å; D420-D424 WeakPolarHBondContact O-CA 3.06Å; D420-D424 PolarHBondContact O-N 2.91Å; D420-L425 WeakPolarHBondContact CA-O 3.43Å; D420-M427 HydrophobicContact CB-CG 4.28Å |
| 421 | M | 90 | Very high | 87.7 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 18% | 0.177 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | -174.6 | -69.9 | -171.5 | -75.2 | 0 | 0 | 112.9 | K333 F338 L339 E417 R418 V419 | K333-M421 WeakPolarHBondContact CE-O 3.42Å; F338-M421 HydrophobicContact CB-SD 3.9Å; F338-M421 HydrophobicContact CD1-CE 3.84Å; F338-M421 HydrophobicContact CD1-SD 3.55Å; F338-M421 VanDerWaalsContact CD1-SD 3.55Å; F338-M421 HydrophobicContact CE1-CE 4.12Å; F338-M421 HydrophobicContact CE1-SD 4.41Å; F338-M421 HydrophobicContact CG-SD 4.01Å; L339-M421 HydrophobicContact CD1-CB 4.17Å; L339-M421 WeakPolarHBondContact CD1-O 3.41Å; L339-M421 HydrophobicContact CD2-CB 4.26Å; L339-M421 HydrophobicContact CD2-SD 4.44Å; L339-M421 HydrophobicContact CG-CB 4.29Å; E417-M421 WeakPolarHBondContact O-CE 3.47Å; E417-M421 WeakPolarHBondContact O-CG 3.29Å; E417-M421 PolarHBondContact O-N 3.11Å; R418-M421 PolarHBondContact O-N 3.03Å; V419-M421 PolarHBondContact O-N 3.38Å |
| 422 | M | 91.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -84.2 | -28.9 | -178.2 | 83.6 | -170.5 | -168.3 | 0 | 0 | 113.7 | K333 I344 F358 R418 V419 D420 V471 F473 A500 | K333-M422 PolarHBondContact NZ-O 2.89Å; I344-M422 HydrophobicContact CD1-CB 3.59Å; F358-M422 HydrophobicContact CB-SD 4.24Å; F358-M422 HydrophobicContact CD1-CB 4.18Å; F358-M422 HydrophobicContact CD2-CB 4.34Å; F358-M422 HydrophobicContact CD2-CE 3.62Å; F358-M422 HydrophobicContact CD2-CG 3.81Å; F358-M422 HydrophobicContact CD2-SD 3.58Å; F358-M422 VanDerWaalsContact CD2-SD 3.58Å; F358-M422 HydrophobicContact CE1-CB 4.04Å; F358-M422 HydrophobicContact CE1-CG 4.4Å; F358-M422 WeakPolarHBondContact CE1-O 3.3Å; F358-M422 HydrophobicContact CE2-CB 4.17Å; F358-M422 HydrophobicContact CE2-CE 3.96Å; F358-M422 HydrophobicContact CE2-CG 3.64Å; F358-M422 HydrophobicContact CE2-SD 4.03Å; F358-M422 HydrophobicContact CG-CB 4.33Å; F358-M422 HydrophobicContact CG-CG 4.25Å; F358-M422 HydrophobicContact CG-SD 3.93Å; F358-M422 HydrophobicContact CZ-CB 4.03Å; F358-M422 HydrophobicContact CZ-CG 3.97Å; F358-M422 WeakPolarHBondContact CZ-O 3.33Å; R418-M422 WeakPolarHBondContact O-CB 3.5Å; R418-M422 VanDerWaalsContact O-CG 3.31Å; R418-M422 WeakPolarHBondContact O-CG 3.43Å; R418-M422 PolarHBondContact O-N 3.12Å; V419-M422 HydrophobicContact CG2-CE 4.13Å; V419-M422 PolarHBondContact O-N 2.84Å; D420-M422 VanDerWaalsContact C-N 3.32Å; D420-M422 PolarHBondContact O-N 3.27Å; M422-V471 HydrophobicContact CE-CB 4.2Å; M422-V471 HydrophobicContact CE-CG1 3.32Å; M422-V471 HydrophobicContact CE-CG2 3.74Å; M422-F473 HydrophobicContact CE-CE1 4.18Å; M422-F473 HydrophobicContact CE-CE2 4.46Å; M422-F473 HydrophobicContact CE-CZ 3.78Å; M422-A500 HydrophobicContact CE-CB 4.36Å |
| 423 | T | 90.1 | Very high | 87.5 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -95.8 | -23.1 | 179.5 | 64 | 0 | 0 | 0 | 0 | 114.2 | V419 D420 L425 V471 F502 | V419-T423 HydrophobicContact CG1-CG2 3.93Å; V419-T423 WeakPolarHBondContact O-CB 2.98Å; V419-T423 WeakPolarHBondContact O-CG2 3.47Å; V419-T423 PolarHBondContact O-N 2.84Å; V419-T423 PolarHBondContact O-OG1 2.74Å; D420-T423 PolarHBondContact O-N 3.15Å; T423-L425 VanDerWaalsContact C-N 3.3Å; T423-L425 PolarHBondContact OG1-N 2.7Å; T423-L425 VanDerWaalsContact OG1-N 3.17Å; T423-V471 HydrophobicContact CG2-CG2 3.67Å; T423-F502 HydrophobicContact CG2-CD2 3.72Å; T423-F502 HydrophobicContact CG2-CE2 3.49Å; T423-F502 VanDerWaalsContact CG2-CE2 3.49Å; T423-F502 HydrophobicContact CG2-CG 4.37Å; T423-F502 HydrophobicContact CG2-CZ 3.99Å |
| 424 | D | 85.4 | Confident | 87.5 | Confident | 58 Ų | 58 | 37.9 Ų | 37.9 | 31% | 0.31 | 19% | 0.189 | S | C | . | . | trans | 66.9 | 13.7 | -163.7 | -72.4 | -71.9 | 0 | 0 | 0 | 116.2 | K333 N335 R336 D420 | K333-D424 WeakPolarHBondContact CE-OD2 3.01Å; K333-D424 IonicContact NZ-OD2 3.14Å; K333-D424 PolarHBondContact NZ-OD2 3.46Å; N335-D424 VanDerWaalsContact ND2-CG 3.3Å; N335-D424 PolarHBondContact ND2-OD1 3.34Å; N335-D424 PolarHBondContact ND2-OD2 3.2Å; R336-D424 IonicContact CZ-OD1 3.19Å; R336-D424 IonicContact NE-OD1 3.75Å; R336-D424 PolarHBondContact NE-OD1 2.87Å; R336-D424 PolarHBondContact NH2-O 2.93Å; R336-D424 IonicContact NH2-OD1 3.77Å; R336-D424 PolarHBondContact NH2-OD1 3.36Å; D420-D424 VanDerWaalsContact O-CA 3.25Å; D420-D424 WeakPolarHBondContact O-CA 3.06Å; D420-D424 PolarHBondContact O-N 2.91Å | ||
| 425 | L | 84.1 | Confident | 87.5 | Confident | 33 Ų | 33 | 32.7 Ų | 32.7 | 17% | 0.173 | 17% | 0.17 | C | C | . | . | trans | -104.8 | 143.2 | -178.1 | -58.3 | 173.3 | 0 | 0 | 0 | 112.4 | D420 T423 M427 I468 A469 F504 I535 | D420-L425 WeakPolarHBondContact CA-O 3.43Å; T423-L425 VanDerWaalsContact C-N 3.3Å; T423-L425 PolarHBondContact OG1-N 2.7Å; T423-L425 VanDerWaalsContact OG1-N 3.17Å; L425-M427 WeakPolarHBondContact O-CE 3.21Å; L425-I468 HydrophobicContact CD1-CD1 4.31Å; L425-I468 HydrophobicContact CD2-CD1 4.23Å; L425-A469 HydrophobicContact CD1-CB 3.78Å; L425-F504 HydrophobicContact CD1-CE1 3.99Å; L425-F504 HydrophobicContact CD2-CE1 4.32Å; L425-I535 HydrophobicContact CB-CD1 3.86Å; L425-I535 HydrophobicContact CB-CG2 4.44Å; L425-I535 HydrophobicContact CD1-CD1 3.58Å; L425-I535 HydrophobicContact CG-CD1 4.37Å | ||
| 426 | S | 78.9 | Confident | 87.2 | Confident | 49 Ų | 49 | 32.7 Ų | 32.7 | 34% | 0.343 | 17% | 0.17 | S | C | . | . | trans | -66.9 | 139.8 | 177.7 | -177 | 0 | 0 | 0 | 0 | 111.8 | E428 I535 | S426-E428 VanDerWaalsContact OG-CG 3.32Å; S426-E428 WeakPolarHBondContact OG-CG 3.31Å; S426-E428 PolarHBondContact OG-N 2.58Å; S426-E428 PolarHBondContact OG-OE2 2.98Å; S426-I535 WeakPolarHBondContact O-CG2 3.46Å | ||
| 427 | M | 85.3 | Confident | 86.9 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | trans | -93.2 | -5.3 | 174.1 | -63.6 | -65.4 | 98.5 | 0 | 0 | 113.6 | C416 V419 D420 L425 T429 A430 K533 I535 | C416-M427 WeakPolarHBondContact O-CG 3.18Å; V419-M427 HydrophobicContact CB-CE 4.29Å; V419-M427 HydrophobicContact CB-SD 3.79Å; V419-M427 HydrophobicContact CG1-CE 3.52Å; V419-M427 HydrophobicContact CG1-SD 3.56Å; V419-M427 VanDerWaalsContact CG1-SD 3.56Å; D420-M427 HydrophobicContact CB-CG 4.28Å; L425-M427 WeakPolarHBondContact O-CE 3.21Å; M427-T429 PolarHBondContact O-N 3.44Å; M427-A430 HydrophobicContact CB-CB 4.46Å; M427-A430 HydrophobicContact CE-CB 4.45Å; M427-A430 WeakPolarHBondContact O-CB 3.46Å; M427-A430 PolarHBondContact O-N 3.42Å; M427-A430 VanDerWaalsContact O-N 3.11Å; M427-A430 HydrophobicContact SD-CB 4.13Å; M427-K533 HydrophobicContact SD-CG 4.14Å; M427-I535 HydrophobicContact CE-CD1 3.59Å; M427-I535 HydrophobicContact CE-CG1 3.84Å | ||
| 428 | E | 75 | Confident | 86.5 | Confident | 141 Ų | 141 | 28.9 Ų | 28.9 | 66% | 0.659 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -29.6 | -171.9 | -72 | 166 | 129.8 | 0 | 0 | 113.9 | Y7 S426 | Y7-E428 PolarHBondContact OH-O 2.83Å; S426-E428 VanDerWaalsContact OG-CG 3.32Å; S426-E428 WeakPolarHBondContact OG-CG 3.31Å; S426-E428 PolarHBondContact OG-N 2.58Å; S426-E428 PolarHBondContact OG-OE2 2.98Å |
| 429 | T | 73.2 | Confident | 85.6 | Confident | 42 Ų | 42 | 26.8 Ų | 26.8 | 26% | 0.258 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -8.9 | -171.9 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | M427 H536 E537 | M427-T429 PolarHBondContact O-N 3.44Å; T429-H536 VanDerWaalsContact CB-O 3.3Å; T429-H536 WeakPolarHBondContact CB-O 3.26Å; T429-H536 WeakPolarHBondContact O-CB 3.27Å; T429-H536 PolarHBondContact OG1-O 3.06Å; T429-E537 WeakPolarHBondContact CG2-O 3.48Å |
| 430 | A | 81.6 | Confident | 84.8 | Confident | 17 Ų | 17 | 26.8 Ų | 26.8 | 14% | 0.14 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 154 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M427 W534 I535 | M427-A430 HydrophobicContact CB-CB 4.46Å; M427-A430 HydrophobicContact CE-CB 4.45Å; M427-A430 WeakPolarHBondContact O-CB 3.46Å; M427-A430 PolarHBondContact O-N 3.42Å; M427-A430 VanDerWaalsContact O-N 3.11Å; M427-A430 HydrophobicContact SD-CB 4.13Å; A430-W534 CarbonylContact C-O 3.46Å; A430-W534 WeakPolarHBondContact CA-O 3.49Å; A430-W534 VanDerWaalsContact CB-O 3.23Å; A430-W534 WeakPolarHBondContact CB-O 3.43Å; A430-I535 HydrophobicContact CB-CG1 4.3Å |
| 431 | E | 86.7 | Confident | 84.2 | Confident | 25 Ų | 25 | 24.7 Ų | 24.7 | 12% | 0.117 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -62 | 162.2 | 175.5 | -66.9 | -168 | -157.9 | 0 | 0 | 111.9 | W403 R467 K533 W534 H536 | W403-E431 WeakPolarHBondContact CH2-OE2 3.1Å; W403-E431 HydrophobicContact CZ3-CB 4.32Å; W403-E431 WeakPolarHBondContact CZ3-OE2 3.04Å; E431-R467 IonicContact OE1-CZ 2.94Å; E431-R467 IonicContact OE1-NE 3.76Å; E431-R467 PolarHBondContact OE1-NE 2.91Å; E431-R467 IonicContact OE1-NH2 3.85Å; E431-R467 PolarHBondContact OE1-NH2 2.83Å; E431-R467 IonicContact OE2-CZ 3.42Å; E431-R467 IonicContact OE2-NH2 3.01Å; E431-R467 PolarHBondContact OE2-NH2 2.74Å; E431-K533 WeakPolarHBondContact O-CD 3.47Å; E431-K533 VanDerWaalsContact O-CE 3.24Å; E431-K533 WeakPolarHBondContact O-CE 3.38Å; E431-K533 PolarHBondContact O-NZ 3.42Å; E431-W534 HydrophobicContact CB-CB 4.33Å; E431-W534 HydrophobicContact CG-CB 4.12Å; E431-W534 PolarHBondContact N-O 2.96Å; E431-H536 VanDerWaalsContact CG-CD2 3.4Å; E431-H536 WeakPolarHBondContact CG-CD2 3.46Å; E431-H536 IonicContact OE1-CD2 3.34Å; E431-H536 IonicContact OE1-NE2 3.61Å; E431-H536 PolarHBondContact OE1-NE2 2.99Å |
| 432 | L | 89.6 | Confident | 83.6 | Confident | 69 Ų | 69 | 23 Ų | 23 | 36% | 0.361 | 12% | 0.124 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 151.5 | 169.5 | -49.4 | -173.3 | 0 | 0 | 0 | 109.6 | W403 K405 Q434 | W403-L432 HydrophobicContact CB-CB 4.19Å; W403-L432 HydrophobicContact CB-CD1 4.26Å; W403-L432 HydrophobicContact CE3-CB 4.11Å; K405-L432 HydrophobicContact CB-CD2 4.25Å; K405-L432 HydrophobicContact CG-CD1 3.83Å; K405-L432 HydrophobicContact CG-CD2 3.88Å; K405-L432 HydrophobicContact CG-CG 4.42Å; L432-Q434 PolarHBondContact O-N 3.31Å |
| 433 | L | 91.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 105.4 | 179.1 | -175 | 70.9 | 0 | 0 | 0 | 109.1 | L404 V412 V415 I435 A531 K533 | L404-L433 HydrophobicContact CB-CB 4.47Å; L404-L433 PolarHBondContact N-O 2.97Å; L404-L433 PolarHBondContact O-N 2.95Å; V412-L433 HydrophobicContact CG1-CB 4.22Å; V412-L433 HydrophobicContact CG1-CD2 4.03Å; V415-L433 HydrophobicContact CG1-CD2 4.19Å; L433-I435 HydrophobicContact CD2-CD1 3.92Å; L433-I435 HydrophobicContact CG-CD1 3.91Å; L433-I435 PolarHBondContact O-N 2.87Å; L433-A531 HydrophobicContact CD1-CB 4.15Å; L433-A531 HydrophobicContact CG-CB 4.34Å; L433-K533 HydrophobicContact CD1-CB 4.14Å; L433-K533 HydrophobicContact CD1-CD 4.29Å |
| 434 | Q | 92.6 | Very high | 82.6 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 117 | 178.9 | 179.6 | -179.3 | 108.6 | 0 | 0 | 109.5 | A402 W403 L432 A531 N532 W534 | A402-Q434 CarbonylContact O-C 3.56Å; A402-Q434 VanDerWaalsContact O-CA 3.23Å; A402-Q434 WeakPolarHBondContact O-CA 3.36Å; W403-Q434 HydrophobicContact CD2-CB 4.11Å; W403-Q434 HydrophobicContact CD2-CG 4.3Å; W403-Q434 HydrophobicContact CE3-CB 3.67Å; W403-Q434 HydrophobicContact CE3-CG 4.32Å; W403-Q434 HydrophobicContact CH2-CB 4.33Å; W403-Q434 HydrophobicContact CZ3-CB 3.79Å; W403-Q434 HydrophobicContact CZ3-CG 4.46Å; L432-Q434 PolarHBondContact O-N 3.31Å; Q434-A531 CarbonylContact O-C 3.56Å; Q434-A531 VanDerWaalsContact O-CA 3.22Å; Q434-A531 WeakPolarHBondContact O-CA 3.11Å; Q434-N532 HydrophobicContact CB-CB 4.23Å; Q434-N532 PolarHBondContact N-O 2.92Å; Q434-N532 PolarHBondContact O-N 2.88Å; Q434-W534 HydrophobicContact CB-CH2 4.48Å; Q434-W534 HydrophobicContact CB-CZ3 3.87Å; Q434-W534 HydrophobicContact CG-CZ3 4.39Å |
| 435 | I | 90.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.8 | 171.5 | -53.1 | -49.7 | 0 | 0 | 0 | 108.6 | I370 A374 S401 A402 L404 L433 M475 W529 A531 | I370-I435 HydrophobicContact CG2-CD1 3.32Å; I370-I435 HydrophobicContact CG2-CG1 3.77Å; A374-I435 HydrophobicContact CB-CB 3.78Å; A374-I435 HydrophobicContact CB-CG1 3.98Å; A374-I435 HydrophobicContact CB-CG2 3.62Å; S401-I435 CarbonylContact C-O 3.41Å; S401-I435 VanDerWaalsContact CA-O 3.25Å; S401-I435 WeakPolarHBondContact CA-O 3.27Å; A402-I435 HydrophobicContact CB-CB 4.26Å; A402-I435 PolarHBondContact N-O 3.42Å; A402-I435 PolarHBondContact O-N 3.05Å; L404-I435 HydrophobicContact CD1-CD1 4.28Å; L404-I435 HydrophobicContact CD1-CG1 3.69Å; L404-I435 HydrophobicContact CG-CG1 4.17Å; L433-I435 HydrophobicContact CD2-CD1 3.92Å; L433-I435 HydrophobicContact CG-CD1 3.91Å; L433-I435 PolarHBondContact O-N 2.87Å; I435-M475 HydrophobicContact CD1-CE 4.1Å; I435-M475 HydrophobicContact CG2-CE 3.58Å; I435-W529 HydrophobicContact CG2-CE3 4.05Å; I435-W529 HydrophobicContact CG2-CZ3 4.09Å; I435-A531 HydrophobicContact CD1-CB 3.43Å; I435-A531 VanDerWaalsContact CD1-CB 3.43Å |
| 436 | A | 87.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K400 Y438 W529 V530 | K400-A436 CarbonylContact O-C 3.08Å; K400-A436 VanDerWaalsContact O-CA 3.31Å; K400-A436 WeakPolarHBondContact O-CA 3.27Å; A436-Y438 HydrophobicContact CB-CE2 4.33Å; A436-W529 WeakPolarHBondContact O-CA 3.05Å; A436-V530 HydrophobicContact CB-CG2 3.87Å; A436-V530 PolarHBondContact N-O 3.49Å; A436-V530 PolarHBondContact O-N 3.47Å |
| 437 | N | 85.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.9 | 175.9 | 178.3 | -109.5 | 0 | 0 | 0 | 111 | S29 L378 S399 K400 T527 K528 W529 | S29-N437 WeakPolarHBondContact CA-OD1 3.2Å; S29-N437 VanDerWaalsContact CB-OD1 3.28Å; S29-N437 WeakPolarHBondContact CB-OD1 3.19Å; S29-N437 PolarHBondContact OG-OD1 3.49Å; L378-N437 HydrophobicContact CD1-CB 4.43Å; S399-N437 WeakPolarHBondContact CA-O 3.36Å; S399-N437 VanDerWaalsContact CB-O 3.25Å; S399-N437 WeakPolarHBondContact CB-O 3.4Å; K400-N437 PolarHBondContact N-O 3.49Å; K400-N437 PolarHBondContact O-N 2.77Å; N437-T527 PolarHBondContact ND2-OG1 2.94Å; N437-K528 PolarHBondContact ND2-O 3.09Å; N437-W529 HydrophobicContact CB-CD2 4.03Å; N437-W529 HydrophobicContact CB-CE3 3.97Å; N437-W529 HydrophobicContact CB-CH2 4.41Å; N437-W529 HydrophobicContact CB-CZ2 4.45Å; N437-W529 HydrophobicContact CB-CZ3 4.17Å; N437-W529 VanDerWaalsContact ND2-CD1 3.3Å; N437-W529 VanDerWaalsContact ND2-CE2 3.27Å; N437-W529 PolarHBondContact ND2-NE1 2.92Å; N437-W529 VanDerWaalsContact ND2-NE1 3.13Å |
| 438 | Y | 81.5 | Confident | 82.5 | Confident | 11 Ų | 11 | 22.9 Ų | 22.9 | 4% | 0.043 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.8 | 172.1 | -53.3 | -101.8 | 0 | 0 | 0 | 108.4 | I398 A436 A520 T527 K528 V530 | I398-Y438 WeakPolarHBondContact O-CD1 3.44Å; A436-Y438 HydrophobicContact CB-CE2 4.33Å; Y438-A520 HydrophobicContact CE1-CB 4.25Å; Y438-T527 WeakPolarHBondContact O-CA 3.32Å; Y438-T527 PolarHBondContact O-OG1 3.16Å; Y438-K528 HydrophobicContact CD2-CB 4.48Å; Y438-K528 HydrophobicContact CD2-CD 4.09Å; Y438-K528 HydrophobicContact CD2-CG 4.27Å; Y438-K528 PolarHBondContact N-O 3.45Å; Y438-K528 PolarHBondContact O-N 3.47Å; Y438-V530 HydrophobicContact CE2-CG2 3.89Å |
| 439 | G | 75 | Confident | 83 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -88 | -164.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F27 T28 G441 G442 V523 | F27-G439 CarbonylContact O-C 3.55Å; F27-G439 WeakPolarHBondContact O-CA 3.25Å; T28-G439 PolarHBondContact O-N 3.26Å; G439-G441 PolarHBondContact O-N 2.99Å; G439-G442 WeakPolarHBondContact O-CA 3.49Å; G439-G442 PolarHBondContact O-N 3.04Å; G439-V523 WeakPolarHBondContact O-CB 3.45Å | ||
| 440 | I | 76 | Confident | 83.3 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.076 | C | C | . | . | B | Isolated β-bridge | trans | -54.4 | 128.2 | -177.2 | -58.8 | 171.2 | 0 | 0 | 0 | 110 | F27 T28 M30 L162 G442 P601 | F27-I440 HydrophobicContact CD1-CB 4.24Å; F27-I440 HydrophobicContact CD1-CG2 4.31Å; F27-I440 WeakPolarHBondContact CD1-O 3.27Å; F27-I440 HydrophobicContact CD2-CB 4.2Å; F27-I440 HydrophobicContact CD2-CD1 4.38Å; F27-I440 HydrophobicContact CD2-CG2 4.44Å; F27-I440 HydrophobicContact CE1-CB 4.06Å; F27-I440 HydrophobicContact CE1-CG2 3.63Å; F27-I440 HydrophobicContact CE2-CB 4.03Å; F27-I440 HydrophobicContact CE2-CD1 4.1Å; F27-I440 HydrophobicContact CE2-CG2 3.8Å; F27-I440 HydrophobicContact CG-CB 4.32Å; F27-I440 HydrophobicContact CZ-CB 3.97Å; F27-I440 HydrophobicContact CZ-CG2 3.35Å; F27-I440 PolarHBondContact O-N 2.68Å; T28-I440 WeakPolarHBondContact CG2-O 3.4Å; M30-I440 HydrophobicContact CE-CD1 3.95Å; M30-I440 HydrophobicContact CE-CG1 3.64Å; M30-I440 HydrophobicContact SD-CD1 3.42Å; M30-I440 WeakPolarHBondContact SD-CD1 3.26Å; M30-I440 HydrophobicContact SD-CG1 3.65Å; L162-I440 HydrophobicContact CD1-CG2 3.47Å; L162-I440 VanDerWaalsContact CD1-CG2 3.47Å; I440-G442 PolarHBondContact O-N 3.11Å; I440-G442 VanDerWaalsContact O-N 3.09Å; I440-P601 HydrophobicContact CD1-CB 4.38Å; I440-P601 HydrophobicContact CD1-CG 4.09Å; I440-P601 HydrophobicContact CG2-CB 4.1Å; I440-P601 HydrophobicContact CG2-CG 3.91Å |
| 441 | G | 75.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | -0.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R161 G439 V523 | R161-G441 PolarHBondContact NH1-O 3.01Å; G439-G441 PolarHBondContact O-N 2.99Å; G441-V523 PolarHBondContact N-O 2.8Å |
| 442 | G | 77.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -72.4 | 131.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I398 G439 I440 P522 V523 | I398-G442 CarbonylContact O-C 3.14Å; I398-G442 WeakPolarHBondContact O-CA 3.4Å; G439-G442 WeakPolarHBondContact O-CA 3.49Å; G439-G442 PolarHBondContact O-N 3.04Å; I440-G442 PolarHBondContact O-N 3.11Å; I440-G442 VanDerWaalsContact O-N 3.09Å; G442-P522 VanDerWaalsContact O-CA 3.31Å; G442-P522 WeakPolarHBondContact O-CA 3.33Å; G442-V523 PolarHBondContact O-N 3.09Å | ||
| 443 | H | 82.5 | Confident | 80.6 | Confident | 5 Ų | 5 | 17.9 Ų | 17.9 | 2% | 0.023 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 175.6 | -167.9 | 73.9 | -52.3 | 0 | 0 | 0 | 110.7 | R161 A395 I398 D445 A520 P522 | R161-H443 PolarHBondContact NE-CE1 3.06Å; R161-H443 PolarHBondContact NE-ND1 3.37Å; R161-H443 PolarHBondContact NE-NE2 3.09Å; R161-H443 PolarHBondContact NH2-CE1 3.16Å; A395-H443 PolarHBondContact O-CE1 3.28Å; I398-H443 CarbonylContact C-O 3.39Å; I398-H443 PolarHBondContact N-O 3.2Å; I398-H443 PolarHBondContact O-N 2.82Å; H443-D445 IonicContact CD2-OD1 2.9Å; H443-D445 PolarHBondContact CD2-OD1 2.89Å; H443-D445 IonicContact NE2-OD1 3.67Å; H443-D445 IonicContact NE2-OD2 2.71Å; H443-A520 WeakPolarHBondContact CB-O 3.41Å; H443-P522 HydrophobicContact CB-CB 4.25Å; H443-P522 HydrophobicContact CB-CG 4.01Å |
| 444 | Y | 79.8 | Confident | 78.6 | Confident | 30 Ų | 30 | 23 Ų | 23 | 12% | 0.118 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 122.1 | 166.7 | -165.3 | 174.5 | 0 | 0 | 0 | 107.7 | Y396 R397 H447 A519 A520 | Y396-Y444 HydrophobicContact CD2-CD2 4.35Å; Y396-Y444 HydrophobicContact CD2-CE2 4Å; Y396-Y444 HydrophobicContact CE2-CE2 4.03Å; Y396-Y444 WeakPolarHBondContact O-CA 3.4Å; Y396-Y444 WeakPolarHBondContact O-CD2 3.2Å; R397-Y444 HydrophobicContact CB-CD2 3.66Å; R397-Y444 HydrophobicContact CB-CE2 3.73Å; R397-Y444 HydrophobicContact CB-CG 4.19Å; R397-Y444 HydrophobicContact CG-CD1 3.88Å; R397-Y444 HydrophobicContact CG-CD2 3.72Å; R397-Y444 HydrophobicContact CG-CE1 4.01Å; R397-Y444 HydrophobicContact CG-CE2 3.85Å; R397-Y444 HydrophobicContact CG-CG 3.76Å; R397-Y444 VanDerWaalsContact NE-CE1 3.31Å; Y444-H447 AromaticContact CD1-CE1 3.29Å; Y444-H447 WeakPolarHBondContact CD1-CE1 3.22Å; Y444-H447 AromaticContact CD1-ND1 3.81Å; Y444-H447 AromaticContact CD1-NE2 3.71Å; Y444-H447 AromaticContact CD2-CE1 3.95Å; Y444-H447 AromaticContact CD2-ND1 3.6Å; Y444-H447 AromaticContact CE1-CD2 3.69Å; Y444-H447 AromaticContact CE1-CE1 3.22Å; Y444-H447 WeakPolarHBondContact CE1-CE1 3.18Å; Y444-H447 AromaticContact CE1-CG 3.97Å; Y444-H447 AromaticContact CE1-ND1 3.68Å; Y444-H447 AromaticContact CE1-NE2 3.17Å; Y444-H447 WeakPolarHBondContact CE1-NE2 3.22Å; Y444-H447 HydrophobicContact CE2-CB 4.09Å; Y444-H447 AromaticContact CE2-CE1 3.9Å; Y444-H447 AromaticContact CE2-CG 3.63Å; Y444-H447 AromaticContact CE2-ND1 3.46Å; Y444-H447 WeakPolarHBondContact CE2-ND1 3.39Å; Y444-H447 AromaticContact CG-CE1 3.66Å; Y444-H447 AromaticContact CG-ND1 3.77Å; Y444-H447 AromaticContact CZ-CD2 3.46Å; Y444-H447 VanDerWaalsContact CZ-CD2 3.46Å; Y444-H447 AromaticContact CZ-CE1 3.53Å; Y444-H447 AromaticContact CZ-CG 3.46Å; Y444-H447 VanDerWaalsContact CZ-CG 3.46Å; Y444-H447 AromaticContact CZ-ND1 3.49Å; Y444-H447 AromaticContact CZ-NE2 3.48Å; Y444-H447 PolarHBondContact OH-CD2 2.67Å; Y444-A519 CarbonylContact O-C 3.58Å; Y444-A519 WeakPolarHBondContact O-CA 3.23Å; Y444-A519 VanDerWaalsContact O-CB 3.3Å; Y444-A519 WeakPolarHBondContact O-CB 3.46Å; Y444-A520 PolarHBondContact N-O 3.42Å; Y444-A520 PolarHBondContact O-N 3.43Å; Y444-A520 VanDerWaalsContact O-O 3.1Å |
| 445 | D | 79.5 | Confident | 76.5 | Confident | 23 Ų | 23 | 28.6 Ų | 28.6 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 171.4 | 179.3 | -70.3 | -31.1 | 0 | 0 | 0 | 113.1 | I304 Y396 H443 H447 | I304-D445 HydrophobicContact CD1-CB 3.91Å; I304-D445 WeakPolarHBondContact CD1-OD2 3.24Å; Y396-D445 VanDerWaalsContact CA-OD2 3.25Å; Y396-D445 WeakPolarHBondContact CA-OD2 3.42Å; Y396-D445 WeakPolarHBondContact CB-OD2 3.49Å; Y396-D445 PolarHBondContact O-N 3.45Å; H443-D445 IonicContact CD2-OD1 2.9Å; H443-D445 PolarHBondContact CD2-OD1 2.89Å; H443-D445 IonicContact NE2-OD1 3.67Å; H443-D445 IonicContact NE2-OD2 2.71Å; D445-H447 PolarHBondContact O-N 2.94Å; D445-H447 PolarHBondContact O-ND1 3.01Å |
| 446 | P | 84.1 | Confident | 74.6 | Confident | 27 Ų | 27 | 30.1 Ų | 30.1 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 121.1 | -177.8 | -25.6 | 36.1 | 0 | 0 | 0 | 113.4 | I304 Y310 T487 L517 H518 A519 | I304-P446 HydrophobicContact CG2-CG 4.26Å; Y310-P446 HydrophobicContact CD2-CG 4.49Å; P446-T487 HydrophobicContact CB-CG2 4.32Å; P446-T487 HydrophobicContact CG-CG2 3.91Å; P446-L517 HydrophobicContact CB-CD1 3.94Å; P446-L517 HydrophobicContact CB-CD2 4.39Å; P446-L517 HydrophobicContact CB-CG 4.04Å; P446-H518 CarbonylContact C-O 3.48Å; P446-H518 WeakPolarHBondContact CA-O 3.08Å; P446-A519 HydrophobicContact CB-CB 4.46Å; P446-A519 HydrophobicContact CG-CB 4.06Å |
| 447 | H | 83.1 | Confident | 72.9 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 11% | 0.111 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 170.3 | -177.9 | 65.9 | -76.7 | 0 | 0 | 0 | 112.8 | Y444 D445 H518 | Y444-H447 AromaticContact CD1-CE1 3.29Å; Y444-H447 WeakPolarHBondContact CD1-CE1 3.22Å; Y444-H447 AromaticContact CD1-ND1 3.81Å; Y444-H447 AromaticContact CD1-NE2 3.71Å; Y444-H447 AromaticContact CD2-CE1 3.95Å; Y444-H447 AromaticContact CD2-ND1 3.6Å; Y444-H447 AromaticContact CE1-CD2 3.69Å; Y444-H447 AromaticContact CE1-CE1 3.22Å; Y444-H447 WeakPolarHBondContact CE1-CE1 3.18Å; Y444-H447 AromaticContact CE1-CG 3.97Å; Y444-H447 AromaticContact CE1-ND1 3.68Å; Y444-H447 AromaticContact CE1-NE2 3.17Å; Y444-H447 WeakPolarHBondContact CE1-NE2 3.22Å; Y444-H447 HydrophobicContact CE2-CB 4.09Å; Y444-H447 AromaticContact CE2-CE1 3.9Å; Y444-H447 AromaticContact CE2-CG 3.63Å; Y444-H447 AromaticContact CE2-ND1 3.46Å; Y444-H447 WeakPolarHBondContact CE2-ND1 3.39Å; Y444-H447 AromaticContact CG-CE1 3.66Å; Y444-H447 AromaticContact CG-ND1 3.77Å; Y444-H447 AromaticContact CZ-CD2 3.46Å; Y444-H447 VanDerWaalsContact CZ-CD2 3.46Å; Y444-H447 AromaticContact CZ-CE1 3.53Å; Y444-H447 AromaticContact CZ-CG 3.46Å; Y444-H447 VanDerWaalsContact CZ-CG 3.46Å; Y444-H447 AromaticContact CZ-ND1 3.49Å; Y444-H447 AromaticContact CZ-NE2 3.48Å; Y444-H447 PolarHBondContact OH-CD2 2.67Å; D445-H447 PolarHBondContact O-N 2.94Å; D445-H447 PolarHBondContact O-ND1 3.01Å; H447-H518 AromaticContact CE1-NE2 3.74Å; H447-H518 PolarHBondContact CE1-O 2.84Å; H447-H518 PolarHBondContact N-O 3.46Å; H447-H518 PolarHBondContact ND1-O 3.36Å; H447-H518 AromaticContact NE2-CE1 3.71Å; H447-H518 AromaticContact NE2-NE2 3.51Å; H447-H518 PolarHBondContact O-N 3.05Å; H447-H518 VanDerWaalsContact O-N 3.13Å |
| 448 | F | 84.5 | Confident | 71.4 | Confident | 65 Ų | 65 | 38.4 Ų | 38.4 | 29% | 0.285 | 21% | 0.209 | S | C | . | . | trans | -111.2 | 149.1 | 171.1 | -66.3 | -63.2 | 0 | 0 | 0 | 109.8 | M450 T452 T514 L517 | F448-M450 HydrophobicContact CB-CE 3.96Å; F448-M450 HydrophobicContact CB-SD 3.82Å; F448-M450 HydrophobicContact CD1-CE 3.42Å; F448-M450 VanDerWaalsContact CD1-CE 3.42Å; F448-M450 HydrophobicContact CD1-SD 4.18Å; F448-M450 HydrophobicContact CE1-CE 4.07Å; F448-M450 HydrophobicContact CG-CE 3.82Å; F448-M450 HydrophobicContact CG-SD 4.34Å; F448-T452 HydrophobicContact CB-CG2 4.13Å; F448-T452 HydrophobicContact CD2-CG2 3.61Å; F448-T452 HydrophobicContact CE2-CG2 4.2Å; F448-T452 HydrophobicContact CG-CG2 3.95Å; F448-T514 WeakPolarHBondContact CE1-O 3.45Å; F448-T514 HydrophobicContact CZ-CG2 4.38Å; F448-L517 HydrophobicContact CD1-CB 4.36Å; F448-L517 HydrophobicContact CD1-CD1 4.39Å; F448-L517 HydrophobicContact CD2-CD1 4.27Å; F448-L517 HydrophobicContact CE1-CB 3.59Å; F448-L517 HydrophobicContact CE1-CD1 4.07Å; F448-L517 HydrophobicContact CE1-CG 4.4Å; F448-L517 HydrophobicContact CE2-CD1 3.95Å; F448-L517 HydrophobicContact CG-CD1 4.49Å; F448-L517 HydrophobicContact CZ-CB 3.82Å; F448-L517 HydrophobicContact CZ-CD1 3.85Å; F448-L517 HydrophobicContact CZ-CG 4.28Å | ||
| 449 | D | 85.2 | Confident | 70.4 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -89.8 | -26.6 | 176.3 | -96.5 | -38.9 | 0 | 0 | 0 | 113.5 | R467 T470 N505 H518 W534 | D449-R467 WeakPolarHBondContact O-CD 3.15Å; D449-R467 PolarHBondContact O-NH1 2.86Å; D449-R467 IonicContact OD1-NH1 3.68Å; D449-R467 PolarHBondContact OD1-NH1 3Å; D449-T470 WeakPolarHBondContact OD2-CB 3.09Å; D449-T470 VanDerWaalsContact OD2-CG2 3.28Å; D449-T470 WeakPolarHBondContact OD2-CG2 3.14Å; D449-T470 PolarHBondContact OD2-OG1 3.15Å; D449-N505 WeakPolarHBondContact CB-ND2 3.4Å; D449-H518 IonicContact OD2-CE1 3.33Å; D449-W534 WeakPolarHBondContact OD1-CZ2 3.34Å; D449-W534 PolarHBondContact OD1-NE1 2.96Å; D449-W534 PolarHBondContact OD2-NE1 2.83Å; D449-W534 VanDerWaalsContact OD2-NE1 3.1Å |
| 450 | M | 79.6 | Confident | 69.2 | Low | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -91 | 155 | 176 | 66.4 | -66.8 | 180 | 0 | 0 | 111.4 | F448 T452 N466 N505 V506 P512 D513 | F448-M450 HydrophobicContact CB-CE 3.96Å; F448-M450 HydrophobicContact CB-SD 3.82Å; F448-M450 HydrophobicContact CD1-CE 3.42Å; F448-M450 VanDerWaalsContact CD1-CE 3.42Å; F448-M450 HydrophobicContact CD1-SD 4.18Å; F448-M450 HydrophobicContact CE1-CE 4.07Å; F448-M450 HydrophobicContact CG-CE 3.82Å; F448-M450 HydrophobicContact CG-SD 4.34Å; M450-T452 HydrophobicContact CE-CG2 4.26Å; M450-T452 PolarHBondContact O-N 3.29Å; M450-N466 WeakPolarHBondContact CA-OD1 3.15Å; M450-N466 WeakPolarHBondContact CB-OD1 3.29Å; M450-N505 HydrophobicContact CB-CB 3.94Å; M450-N505 HydrophobicContact CG-CB 4.18Å; M450-N505 WeakPolarHBondContact CG-O 3.49Å; M450-N505 HydrophobicContact SD-CB 3.81Å; M450-N505 VanDerWaalsContact SD-O 3.34Å; M450-V506 HydrophobicContact CB-CG1 4.41Å; M450-P512 HydrophobicContact CE-CB 3.84Å; M450-P512 HydrophobicContact CG-CB 3.88Å; M450-D513 WeakPolarHBondContact CE-O 3.4Å |
| 451 | S | 72.8 | Confident | 67.8 | Low | 11 Ų | 11 | 50.8 Ų | 50.8 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | trans | -63.1 | 131.8 | 162.1 | 171.8 | 0 | 0 | 0 | 0 | 109.1 | N453 T458 N466 P512 | S451-N453 PolarHBondContact OG-N 3.44Å; S451-N453 PolarHBondContact OG-O 3.19Å; S451-T458 WeakPolarHBondContact CB-OG1 3.46Å; S451-N466 PolarHBondContact N-OD1 2.98Å; S451-N466 PolarHBondContact O-ND2 2.7Å; S451-P512 WeakPolarHBondContact O-CG 3.22Å | ||
| 452 | T | 65.2 | Low | 66.8 | Low | 79 Ų | 79 | 54.9 Ų | 54.9 | 49% | 0.485 | 30% | 0.301 | S | S | . | . | trans | -96.3 | 0.6 | -179.7 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | F448 M450 | F448-T452 HydrophobicContact CB-CG2 4.13Å; F448-T452 HydrophobicContact CD2-CG2 3.61Å; F448-T452 HydrophobicContact CE2-CG2 4.2Å; F448-T452 HydrophobicContact CG-CG2 3.95Å; M450-T452 HydrophobicContact CE-CG2 4.26Å; M450-T452 PolarHBondContact O-N 3.29Å | ||
| 453 | N | 62.4 | Low | 65.7 | Low | 80 Ų | 80 | 58.6 Ų | 58.6 | 43% | 0.428 | 32% | 0.32 | S | S | . | . | trans | -129.5 | 122.3 | -173.2 | 173.8 | 12.1 | 0 | 0 | 0 | 110.3 | S451 N455 D456 | S451-N453 PolarHBondContact OG-N 3.44Å; S451-N453 PolarHBondContact OG-O 3.19Å; N453-N455 PolarHBondContact O-N 2.97Å; N453-N455 VanDerWaalsContact O-N 3.11Å; N453-N455 PolarHBondContact OD1-N 3.33Å; N453-D456 HydrophobicContact CB-CB 3.78Å; N453-D456 PolarHBondContact O-N 3.37Å | ||
| 454 | A | 50.5 | Low | 64.5 | Low | 108 Ų | 108 | 58.7 Ų | 58.7 | 89% | 0.893 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 455 | N | 47 | Very low | 63.9 | Low | 119 Ų | 119 | 58.9 Ų | 58.9 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 2.5 | 175.3 | -60.2 | -35.6 | 0 | 0 | 0 | 113.4 | N453 Y457 | N453-N455 PolarHBondContact O-N 2.97Å; N453-N455 VanDerWaalsContact O-N 3.11Å; N453-N455 PolarHBondContact OD1-N 3.33Å; N455-Y457 PolarHBondContact O-N 3.17Å |
| 456 | D | 52.4 | Low | 63.7 | Low | 32 Ų | 32 | 60.1 Ų | 60.1 | 17% | 0.171 | 34% | 0.34 | C | S | . | . | trans | -94.7 | 100.1 | -176.9 | -177.5 | -5.4 | 0 | 0 | 0 | 111.6 | A386 N453 T458 | A386-D456 WeakPolarHBondContact CB-OD2 3.45Å; N453-D456 HydrophobicContact CB-CB 3.78Å; N453-D456 PolarHBondContact O-N 3.37Å; D456-T458 PolarHBondContact O-N 3.24Å; D456-T458 PolarHBondContact O-OG1 2.72Å; D456-T458 WeakPolarHBondContact OD1-CG2 3.33Å; D456-T458 PolarHBondContact OD1-N 3.21Å | ||
| 457 | Y | 51.1 | Low | 63.8 | Low | 155 Ų | 155 | 60.3 Ų | 60.3 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | trans | -70.7 | 9.8 | -177 | -54.4 | -65.1 | 0 | 0 | 0 | 115.7 | N455 F459 E460 | N455-Y457 PolarHBondContact O-N 3.17Å; Y457-F459 PolarHBondContact O-N 2.94Å; Y457-E460 HydrophobicContact CD1-CG 3.83Å; Y457-E460 WeakPolarHBondContact CD1-OE1 3.24Å; Y457-E460 HydrophobicContact CG-CG 4.32Å; Y457-E460 PolarHBondContact O-N 2.88Å | ||
| 458 | T | 54 | Low | 64 | Low | 20 Ų | 20 | 62.2 Ų | 62.2 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -14.1 | -53.9 | 165.5 | 37 | 0 | 0 | 0 | 0 | 116.8 | H384 S451 D456 | H384-T458 VanDerWaalsContact CE1-CG2 3.44Å; H384-T458 WeakPolarHBondContact CE1-CG2 3.47Å; H384-T458 WeakPolarHBondContact ND1-CG2 3.21Å; S451-T458 WeakPolarHBondContact CB-OG1 3.46Å; D456-T458 PolarHBondContact O-N 3.24Å; D456-T458 PolarHBondContact O-OG1 2.72Å; D456-T458 WeakPolarHBondContact OD1-CG2 3.33Å; D456-T458 PolarHBondContact OD1-N 3.21Å |
| 459 | F | 59.7 | Low | 64.3 | Low | 30 Ų | 30 | 59.1 Ų | 59.1 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 3.6 | -173 | -49.8 | -70.4 | 0 | 0 | 0 | 115.5 | Y457 S461 L462 N463 A464 G465 N466 R467 H536 | Y457-F459 PolarHBondContact O-N 2.94Å; F459-S461 PolarHBondContact O-N 3.28Å; F459-L462 HydrophobicContact CD1-CD1 4.31Å; F459-L462 PolarHBondContact O-N 2.89Å; F459-N463 PolarHBondContact O-N 3.38Å; F459-A464 PolarHBondContact O-N 2.87Å; F459-G465 WeakPolarHBondContact CB-O 3.47Å; F459-G465 WeakPolarHBondContact CG-O 3.3Å; F459-N466 WeakPolarHBondContact CE2-OD1 3.43Å; F459-R467 HydrophobicContact CE1-CG 3.9Å; F459-R467 HydrophobicContact CE2-CG 4.49Å; F459-R467 HydrophobicContact CZ-CG 3.9Å; F459-H536 AromaticContact CD1-CE1 3.59Å; F459-H536 AromaticContact CG-CE1 3.86Å |
| 460 | E | 50 | Low | 64.7 | Low | 129 Ų | 129 | 58.7 Ų | 58.7 | 60% | 0.603 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -62.9 | -31.8 | 175.7 | -78.2 | -157.8 | 150.7 | 0 | 0 | 112.6 | Y457 L462 N463 | Y457-E460 HydrophobicContact CD1-CG 3.83Å; Y457-E460 WeakPolarHBondContact CD1-OE1 3.24Å; Y457-E460 HydrophobicContact CG-CG 4.32Å; Y457-E460 PolarHBondContact O-N 2.88Å; E460-L462 PolarHBondContact O-N 3.17Å; E460-N463 WeakPolarHBondContact O-CA 3.45Å; E460-N463 PolarHBondContact O-N 3.15Å |
| 461 | S | 48.3 | Very low | 65.4 | Low | 112 Ų | 112 | 58.3 Ų | 58.3 | 78% | 0.783 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -62.7 | -28.8 | 177.9 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | F459 N463 | F459-S461 PolarHBondContact O-N 3.28Å; S461-N463 VanDerWaalsContact C-N 3.32Å |
| 462 | L | 52.7 | Low | 66.4 | Low | 86 Ų | 86 | 58.4 Ų | 58.4 | 45% | 0.45 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -81.6 | -13.8 | 171.3 | -60 | 173.5 | 0 | 0 | 0 | 112 | F459 E460 A464 H536 | F459-L462 HydrophobicContact CD1-CD1 4.31Å; F459-L462 PolarHBondContact O-N 2.89Å; E460-L462 PolarHBondContact O-N 3.17Å; L462-A464 HydrophobicContact CB-CB 3.53Å; L462-A464 PolarHBondContact O-N 3.12Å; L462-H536 WeakPolarHBondContact CD1-NE2 3.5Å |
| 463 | N | 54.8 | Low | 67.8 | Low | 77 Ų | 77 | 54.7 Ų | 54.7 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 24.6 | -163.2 | -167.7 | 17.5 | 0 | 0 | 0 | 112.5 | F459 E460 S461 R538 A539 | F459-N463 PolarHBondContact O-N 3.38Å; E460-N463 WeakPolarHBondContact O-CA 3.45Å; E460-N463 PolarHBondContact O-N 3.15Å; S461-N463 VanDerWaalsContact C-N 3.32Å; N463-R538 CarbonylContact C-O 3.6Å; N463-R538 CarbonylContact O-C 3.58Å; N463-R538 VanDerWaalsContact O-CA 3.3Å; N463-R538 WeakPolarHBondContact O-CA 3.47Å; N463-R538 VanDerWaalsContact O-CB 3.23Å; N463-R538 WeakPolarHBondContact O-CB 3.27Å; N463-R538 PolarHBondContact O-N 3.12Å; N463-A539 PolarHBondContact ND2-N 3.03Å |
| 464 | A | 58.1 | Low | 69.3 | Low | 7 Ų | 7 | 51 Ų | 51 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | trans | -117.7 | 14.4 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F459 L462 H536 E537 | F459-A464 PolarHBondContact O-N 2.87Å; L462-A464 HydrophobicContact CB-CB 3.53Å; L462-A464 PolarHBondContact O-N 3.12Å; A464-H536 HydrophobicContact CB-CB 3.87Å; A464-H536 CarbonylContact O-C 3.56Å; A464-H536 VanDerWaalsContact O-C 3.23Å; A464-H536 VanDerWaalsContact O-CA 3.27Å; A464-H536 WeakPolarHBondContact O-CA 3.49Å; A464-H536 WeakPolarHBondContact O-CB 3.11Å; A464-H536 PolarHBondContact O-ND1 2.65Å; A464-E537 PolarHBondContact O-N 3.07Å | ||
| 465 | G | 67.5 | Low | 71.3 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | trans | 60.7 | -171.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F459 H536 | F459-G465 WeakPolarHBondContact CB-O 3.47Å; F459-G465 WeakPolarHBondContact CG-O 3.3Å; G465-H536 PolarHBondContact O-CE1 2.76Å; G465-H536 PolarHBondContact O-ND1 3.3Å | ||
| 466 | N | 75.3 | Confident | 73.2 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | trans | -78.4 | 152.6 | -176.6 | -154.9 | -7.9 | 0 | 0 | 0 | 112.1 | M450 S451 F459 I468 | M450-N466 WeakPolarHBondContact CA-OD1 3.15Å; M450-N466 WeakPolarHBondContact CB-OD1 3.29Å; S451-N466 PolarHBondContact N-OD1 2.98Å; S451-N466 PolarHBondContact O-ND2 2.7Å; F459-N466 WeakPolarHBondContact CE2-OD1 3.43Å; N466-I468 PolarHBondContact O-N 3.3Å; N466-I468 VanDerWaalsContact O-N 3.16Å | ||
| 467 | R | 85.7 | Confident | 74.9 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | trans | -76 | 97.3 | -178.4 | -70.7 | 166.5 | 156 | -153.3 | -12.7 | 111.6 | E431 D449 F459 A469 N505 W534 I535 | E431-R467 IonicContact OE1-CZ 2.94Å; E431-R467 IonicContact OE1-NE 3.76Å; E431-R467 PolarHBondContact OE1-NE 2.91Å; E431-R467 IonicContact OE1-NH2 3.85Å; E431-R467 PolarHBondContact OE1-NH2 2.83Å; E431-R467 IonicContact OE2-CZ 3.42Å; E431-R467 IonicContact OE2-NH2 3.01Å; E431-R467 PolarHBondContact OE2-NH2 2.74Å; D449-R467 WeakPolarHBondContact O-CD 3.15Å; D449-R467 PolarHBondContact O-NH1 2.86Å; D449-R467 IonicContact OD1-NH1 3.68Å; D449-R467 PolarHBondContact OD1-NH1 3Å; F459-R467 HydrophobicContact CE1-CG 3.9Å; F459-R467 HydrophobicContact CE2-CG 4.49Å; F459-R467 HydrophobicContact CZ-CG 3.9Å; R467-A469 PolarHBondContact O-N 3.44Å; R467-N505 VanDerWaalsContact O-CB 3.31Å; R467-N505 WeakPolarHBondContact O-CB 3.48Å; R467-N505 PolarHBondContact O-ND2 3.31Å; R467-N505 VanDerWaalsContact O-ND2 3.07Å; R467-W534 HydrophobicContact CG-CB 4.17Å; R467-W534 VanDerWaalsContact CZ-CD2 3.49Å; R467-W534 VanDerWaalsContact NH1-CE2 3.33Å; R467-W534 VanDerWaalsContact NH2-CD2 3.31Å; R467-I535 WeakPolarHBondContact CA-O 3.32Å | ||
| 468 | I | 87.2 | Confident | 76.4 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 32% | 0.323 | 21% | 0.214 | S | C | . | . | trans | -70.3 | -27 | -167.5 | 63.6 | 172.8 | 0 | 0 | 0 | 115.6 | L425 N466 N505 V506 I535 | L425-I468 HydrophobicContact CD1-CD1 4.31Å; L425-I468 HydrophobicContact CD2-CD1 4.23Å; N466-I468 PolarHBondContact O-N 3.3Å; N466-I468 VanDerWaalsContact O-N 3.16Å; I468-N505 PolarHBondContact O-N 2.82Å; I468-V506 HydrophobicContact CB-CG2 3.98Å; I468-V506 HydrophobicContact CG2-CG2 4.12Å; I468-V506 PolarHBondContact O-N 2.85Å; I468-I535 HydrophobicContact CD1-CB 4.47Å; I468-I535 HydrophobicContact CD1-CG2 3.96Å; I468-I535 HydrophobicContact CG1-CB 3.96Å; I468-I535 HydrophobicContact CG1-CG2 4Å; I468-I535 PolarHBondContact N-O 3.23Å; I468-I535 VanDerWaalsContact N-O 3.12Å | ||
| 469 | A | 90.5 | Very high | 77.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 160.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L425 R467 F502 W503 F504 N505 | L425-A469 HydrophobicContact CD1-CB 3.78Å; R467-A469 PolarHBondContact O-N 3.44Å; A469-F502 HydrophobicContact CB-CE2 3.84Å; A469-F502 HydrophobicContact CB-CZ 4.37Å; A469-W503 WeakPolarHBondContact CB-O 3.36Å; A469-F504 HydrophobicContact CB-CD1 3.95Å; A469-F504 HydrophobicContact CB-CE1 4.44Å; A469-F504 HydrophobicContact CB-CG 4.44Å; A469-N505 VanDerWaalsContact C-ND2 3.31Å |
| 470 | T | 93.5 | Very high | 78.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.6 | -179.9 | -60 | 0 | 0 | 0 | 0 | 111.3 | D449 F502 W503 N505 W534 | D449-T470 WeakPolarHBondContact OD2-CB 3.09Å; D449-T470 VanDerWaalsContact OD2-CG2 3.28Å; D449-T470 WeakPolarHBondContact OD2-CG2 3.14Å; D449-T470 PolarHBondContact OD2-OG1 3.15Å; T470-F502 WeakPolarHBondContact O-CA 3.34Å; T470-F502 VanDerWaalsContact O-CD2 3.29Å; T470-F502 WeakPolarHBondContact O-CD2 3.42Å; T470-W503 HydrophobicContact CG2-CH2 3.82Å; T470-W503 HydrophobicContact CG2-CZ2 3.53Å; T470-W503 PolarHBondContact N-O 3.19Å; T470-W503 VanDerWaalsContact N-O 3.08Å; T470-W503 PolarHBondContact O-N 2.03Å; T470-N505 PolarHBondContact OG1-ND2 2.98Å; T470-N505 PolarHBondContact OG1-OD1 2.99Å; T470-W534 PolarHBondContact OG1-NE1 2.91Å |
| 471 | V | 94.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.8 | 164.1 | 172.1 | 0 | 0 | 0 | 0 | 109.3 | V419 M422 T423 F473 A500 A501 F502 N532 K533 | V419-V471 HydrophobicContact CG1-CG2 4.05Å; M422-V471 HydrophobicContact CE-CB 4.2Å; M422-V471 HydrophobicContact CE-CG1 3.32Å; M422-V471 HydrophobicContact CE-CG2 3.74Å; T423-V471 HydrophobicContact CG2-CG2 3.67Å; V471-F473 HydrophobicContact CG1-CD2 3.71Å; V471-F473 HydrophobicContact CG1-CE2 3.38Å; V471-F473 HydrophobicContact CG1-CG 4.43Å; V471-F473 HydrophobicContact CG1-CZ 3.86Å; V471-A500 HydrophobicContact CG1-CB 4.19Å; V471-A501 WeakPolarHBondContact CA-O 3.1Å; V471-F502 HydrophobicContact CG2-CB 4.44Å; V471-F502 HydrophobicContact CG2-CD2 3.61Å; V471-F502 HydrophobicContact CG2-CE2 4.35Å; V471-F502 HydrophobicContact CG2-CG 4.42Å; V471-N532 CarbonylContact O-C 3.58Å; V471-N532 VanDerWaalsContact O-CA 3.26Å; V471-N532 WeakPolarHBondContact O-CA 3.27Å; V471-K533 PolarHBondContact N-O 3.2Å; V471-K533 VanDerWaalsContact N-O 3.1Å; V471-K533 PolarHBondContact O-N 3.31Å |
| 472 | L | 94.4 | Very high | 82.3 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 97.3 | 179 | 168.9 | 64.4 | 0 | 0 | 0 | 109.9 | Y474 T484 A500 A501 W503 V530 A531 N532 | L472-Y474 HydrophobicContact CD2-CE1 4.38Å; L472-Y474 HydrophobicContact CD2-CE2 4.47Å; L472-Y474 WeakPolarHBondContact CD2-OH 3.38Å; L472-Y474 HydrophobicContact CG-CE1 4.44Å; L472-Y474 HydrophobicContact CG-CE2 4.31Å; L472-T484 HydrophobicContact CD2-CG2 3.92Å; L472-A500 CarbonylContact O-C 3.53Å; L472-A500 VanDerWaalsContact O-CA 3.24Å; L472-A500 WeakPolarHBondContact O-CA 3.44Å; L472-A501 HydrophobicContact CB-CB 4.43Å; L472-A501 PolarHBondContact N-O 3.44Å; L472-A501 PolarHBondContact O-N 2.94Å; L472-W503 HydrophobicContact CB-CH2 3.98Å; L472-W503 HydrophobicContact CB-CZ3 4.06Å; L472-W503 HydrophobicContact CD2-CH2 4.1Å; L472-W503 HydrophobicContact CD2-CZ3 4.32Å; L472-V530 HydrophobicContact CD1-CB 3.68Å; L472-V530 HydrophobicContact CD1-CG1 3.96Å; L472-V530 HydrophobicContact CD1-CG2 3.93Å; L472-A531 CarbonylContact C-O 3.57Å; L472-A531 WeakPolarHBondContact CA-O 3.38Å; L472-N532 WeakPolarHBondContact CD1-OD1 3.38Å |
| 473 | F | 94.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 146.5 | 173.1 | -63.1 | -93.2 | 0 | 0 | 0 | 111.7 | V361 M362 V415 V419 M422 V471 D499 A500 V530 A531 | V361-F473 HydrophobicContact CG2-CD1 4.03Å; V361-F473 HydrophobicContact CG2-CE1 3.83Å; M362-F473 HydrophobicContact CE-CB 4.06Å; M362-F473 HydrophobicContact CE-CD1 3.68Å; M362-F473 HydrophobicContact CE-CD2 4.36Å; M362-F473 HydrophobicContact CE-CE1 4.17Å; M362-F473 HydrophobicContact CE-CG 3.8Å; V415-F473 HydrophobicContact CG1-CE1 4.42Å; V415-F473 HydrophobicContact CG1-CE2 3.94Å; V415-F473 HydrophobicContact CG1-CZ 3.79Å; V419-F473 HydrophobicContact CG2-CE2 3.87Å; V419-F473 HydrophobicContact CG2-CZ 3.77Å; M422-F473 HydrophobicContact CE-CE1 4.18Å; M422-F473 HydrophobicContact CE-CE2 4.46Å; M422-F473 HydrophobicContact CE-CZ 3.78Å; V471-F473 HydrophobicContact CG1-CD2 3.71Å; V471-F473 HydrophobicContact CG1-CE2 3.38Å; V471-F473 HydrophobicContact CG1-CG 4.43Å; V471-F473 HydrophobicContact CG1-CZ 3.86Å; F473-D499 CarbonylContact C-O 3.59Å; F473-D499 WeakPolarHBondContact CA-O 3.46Å; F473-A500 HydrophobicContact CB-CB 4.39Å; F473-A500 HydrophobicContact CD1-CB 3.53Å; F473-A500 HydrophobicContact CE1-CB 3.91Å; F473-A500 HydrophobicContact CG-CB 3.92Å; F473-V530 CarbonylContact O-C 3.57Å; F473-V530 WeakPolarHBondContact O-CA 3.44Å; F473-V530 WeakPolarHBondContact O-CB 3.24Å; F473-A531 HydrophobicContact CB-CB 4.09Å; F473-A531 HydrophobicContact CD2-CB 4.22Å; F473-A531 PolarHBondContact N-O 3.47Å; F473-A531 PolarHBondContact O-N 3.47Å |
| 474 | Y | 93.4 | Very high | 85.6 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.3 | 176.8 | -66.9 | -78.9 | 0 | 0 | 0 | 111.5 | Y357 L472 T484 V493 A495 S496 H498 D499 A501 V530 | Y357-Y474 HydrophobicContact CE1-CE2 4.19Å; L472-Y474 HydrophobicContact CD2-CE1 4.38Å; L472-Y474 HydrophobicContact CD2-CE2 4.47Å; L472-Y474 WeakPolarHBondContact CD2-OH 3.38Å; L472-Y474 HydrophobicContact CG-CE1 4.44Å; L472-Y474 HydrophobicContact CG-CE2 4.31Å; Y474-T484 WeakPolarHBondContact OH-CB 3.45Å; Y474-T484 PolarHBondContact OH-OG1 3.38Å; Y474-V493 HydrophobicContact CE2-CG1 4.49Å; Y474-A495 HydrophobicContact CD1-CB 3.55Å; Y474-A495 HydrophobicContact CE1-CB 3.73Å; Y474-A495 HydrophobicContact CG-CB 4.43Å; Y474-S496 WeakPolarHBondContact CB-O 3.32Å; Y474-H498 PolarHBondContact O-N 3.3Å; Y474-D499 PolarHBondContact N-O 3.16Å; Y474-A501 HydrophobicContact CE2-CB 4.19Å; Y474-V530 HydrophobicContact CD1-CG1 3.78Å; Y474-V530 HydrophobicContact CE1-CG1 4.13Å |
| 475 | M | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -109.3 | -5 | -172.7 | -60 | -162.4 | -60.8 | 0 | 0 | 113.9 | M362 I367 I370 K371 I435 W529 A531 | M362-M475 HydrophobicContact CE-SD 4.36Å; M362-M475 HydrophobicContact SD-CG 3.94Å; M362-M475 HydrophobicContact SD-SD 3.76Å; I367-M475 HydrophobicContact CG1-CB 4.19Å; I367-M475 HydrophobicContact CG1-CG 4.12Å; I367-M475 HydrophobicContact CG2-CB 4.07Å; I370-M475 HydrophobicContact CB-SD 4.25Å; I370-M475 HydrophobicContact CG2-CE 3.86Å; I370-M475 HydrophobicContact CG2-SD 3.67Å; K371-M475 WeakPolarHBondContact CE-O 3.31Å; K371-M475 PolarHBondContact NZ-O 3.44Å; I435-M475 HydrophobicContact CD1-CE 4.1Å; I435-M475 HydrophobicContact CG2-CE 3.58Å; M475-W529 HydrophobicContact CB-CB 3.87Å; M475-W529 HydrophobicContact CE-CB 4.47Å; M475-W529 HydrophobicContact CE-CE3 4.47Å; M475-W529 PolarHBondContact N-O 2.84Å; M475-A531 HydrophobicContact CE-CB 4.27Å; M475-A531 HydrophobicContact SD-CB 4.36Å | ||
| 476 | S | 88.7 | Confident | 88.3 | Confident | 15 Ų | 15 | 25.7 Ų | 25.7 | 11% | 0.105 | 14% | 0.142 | C | C | . | . | trans | -151.4 | 163.5 | 158.3 | 65.4 | 0 | 0 | 0 | 0 | 110.2 | T527 K528 W529 | S476-T527 PolarHBondContact OG-O 3.25Å; S476-K528 WeakPolarHBondContact OG-CA 3.38Å; S476-W529 PolarHBondContact N-O 3.32Å; S476-W529 PolarHBondContact OG-N 3.23Å | ||
| 477 | Q | 86.5 | Confident | 88.8 | Confident | 129 Ų | 129 | 23.6 Ų | 23.6 | 60% | 0.603 | 13% | 0.131 | S | C | * | . | trans | -109.7 | 123.6 | 169.1 | 176.7 | 173 | -9.4 | 0 | 0 | 106.8 | A495 | Q477-A495 WeakPolarHBondContact CG-O 3.48Š| ||
| 478 | P | 84 | Confident | 88.8 | Confident | 14 Ų | 14 | 25.7 Ų | 25.7 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | trans | -70.5 | 160.2 | 173.5 | 30.8 | -34.4 | 0 | 0 | 0 | 110.8 | G481 V523 K528 | P478-G481 WeakPolarHBondContact CG-O 3.32Å; P478-V523 HydrophobicContact CB-CG1 3.76Å; P478-V523 HydrophobicContact CB-CG2 4.49Å; P478-K528 HydrophobicContact CG-CB 4.31Å | ||
| 479 | E | 82.2 | Confident | 88.6 | Confident | 145 Ų | 145 | 26 Ų | 26 | 68% | 0.678 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -73.4 | -37.7 | 179.6 | -61.5 | 170 | 159.9 | 0 | 0 | 110.9 | A525 G526 | E479-A525 HydrophobicContact CB-CB 3.97Å; E479-A525 PolarHBondContact N-O 2.83Å; E479-G526 PolarHBondContact OE2-N 2.94Å |
| 480 | A | 83.1 | Confident | 88.4 | Confident | 26 Ų | 26 | 30 Ų | 30 | 22% | 0.215 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 146.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L524 A525 | A480-L524 HydrophobicContact CB-CB 3.93Å; A480-L524 HydrophobicContact CB-CD2 4.09Å; A480-L524 HydrophobicContact CB-CG 4.23Å; A480-L524 PolarHBondContact O-N 2.56Å; A480-A525 HydrophobicContact CB-CB 4.13Å; A480-A525 PolarHBondContact N-O 3.4Å; A480-A525 PolarHBondContact O-N 3.26Å |
| 481 | G | 85.6 | Confident | 88.1 | Confident | 33 Ų | 33 | 30.2 Ų | 30.2 | 34% | 0.34 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.4 | -154.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y166 P478 G483 P522 | Y166-G481 VanDerWaalsContact OH-CA 3.3Å; Y166-G481 WeakPolarHBondContact OH-CA 3.5Å; P478-G481 WeakPolarHBondContact CG-O 3.32Å; G481-G483 VanDerWaalsContact C-N 3.34Å; G481-G483 PolarHBondContact O-N 3.09Å; G481-P522 WeakPolarHBondContact CA-O 3.48Å |
| 482 | G | 84.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | 69.5 | 16.3 | 170 | 0 | 0 | 0 | 0 | 0 | 117.1 | C521 P522 K528 | G482-C521 WeakPolarHBondContact CA-O 3.22Å; G482-P522 PolarHBondContact N-O 3.34Å; G482-K528 VanDerWaalsContact O-CD 3.24Å; G482-K528 WeakPolarHBondContact O-CD 3.5Å; G482-K528 VanDerWaalsContact O-CE 3.22Å; G482-K528 WeakPolarHBondContact O-CE 3.46Å; G482-K528 PolarHBondContact O-NZ 3.28Å | ||
| 483 | G | 86.5 | Confident | 87.4 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | trans | -57.6 | 160.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | G481 C521 K528 | G481-G483 VanDerWaalsContact C-N 3.34Å; G481-G483 PolarHBondContact O-N 3.09Å; G483-C521 PolarHBondContact O-N 2.91Å; G483-K528 PolarHBondContact O-NZ 2.88Å | ||
| 484 | T | 90.1 | Very high | 87 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.7 | 166.2 | -52.9 | 0 | 0 | 0 | 0 | 107.1 | L472 Y474 V493 A519 K528 | L472-T484 HydrophobicContact CD2-CG2 3.92Å; Y474-T484 WeakPolarHBondContact OH-CB 3.45Å; Y474-T484 PolarHBondContact OH-OG1 3.38Å; T484-V493 PolarHBondContact N-O 2.87Å; T484-V493 WeakPolarHBondContact O-CA 3.37Å; T484-V493 WeakPolarHBondContact O-CB 3.4Å; T484-V493 PolarHBondContact O-N 3.4Å; T484-A519 CarbonylContact C-O 3.58Å; T484-A519 WeakPolarHBondContact CA-O 3.26Å; T484-K528 PolarHBondContact OG1-NZ 2.72Å |
| 485 | V | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.1 | -168.3 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | Y310 L313 I491 T492 H518 A519 C521 | Y310-V485 HydrophobicContact CD2-CG2 3.77Å; Y310-V485 HydrophobicContact CE2-CG2 4.13Å; L313-V485 HydrophobicContact CB-CB 3.96Å; L313-V485 HydrophobicContact CB-CG1 3.77Å; L313-V485 HydrophobicContact CB-CG2 4.36Å; L313-V485 HydrophobicContact CD1-CB 4.16Å; V485-I491 CarbonylContact C-O 3.4Å; V485-I491 WeakPolarHBondContact CA-O 3.17Å; V485-T492 HydrophobicContact CG1-CG2 4.05Å; V485-H518 CarbonylContact O-C 3.52Å; V485-H518 WeakPolarHBondContact O-CA 3.33Å; V485-A519 HydrophobicContact CG2-CB 3.85Å; V485-A519 PolarHBondContact N-O 3.49Å; V485-A519 PolarHBondContact O-N 3Å; V485-C521 VanDerWaalsContact CG1-SG 3.54Å |
| 486 | F | 90.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 107.7 | 176.1 | -71 | -101.3 | 0 | 0 | 0 | 108.3 | I355 K490 I491 V493 W503 L517 H518 | I355-F486 HydrophobicContact CD1-CD1 3.69Å; I355-F486 HydrophobicContact CD1-CD2 3.82Å; I355-F486 HydrophobicContact CD1-CE1 3.75Å; I355-F486 HydrophobicContact CD1-CE2 3.88Å; I355-F486 HydrophobicContact CD1-CG 3.74Å; I355-F486 HydrophobicContact CD1-CZ 3.85Å; I355-F486 HydrophobicContact CG1-CE1 4.3Å; I355-F486 HydrophobicContact CG1-CZ 4.33Å; F486-K490 WeakPolarHBondContact O-CA 3.37Å; F486-K490 PolarHBondContact O-N 3.4Å; F486-I491 HydrophobicContact CB-CB 4.46Å; F486-I491 PolarHBondContact N-O 3.02Å; F486-I491 PolarHBondContact O-N 2.79Å; F486-V493 HydrophobicContact CD2-CG2 3.92Å; F486-V493 HydrophobicContact CE2-CG2 3.78Å; F486-W503 HydrophobicContact CE1-CD2 4.35Å; F486-W503 HydrophobicContact CZ-CD2 4.1Å; F486-W503 AromaticContact CZ-CE3 3.91Å; F486-W503 HydrophobicContact CZ-CE3 3.91Å; F486-W503 HydrophobicContact CZ-CH2 4.42Å; F486-W503 HydrophobicContact CZ-CZ3 4.08Å; F486-L517 WeakPolarHBondContact CA-O 3.32Å; F486-H518 HydrophobicContact CD1-CB 3.63Å; F486-H518 HydrophobicContact CD2-CB 4.31Å; F486-H518 HydrophobicContact CE1-CB 3.65Å; F486-H518 HydrophobicContact CE2-CB 4.31Å; F486-H518 HydrophobicContact CG-CB 3.97Å; F486-H518 HydrophobicContact CZ-CB 3.99Å |
| 487 | T | 87.4 | Confident | 86.6 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -43.7 | -167.1 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | E306 L313 P446 H489 K490 L517 | E306-T487 HydrophobicContact CB-CG2 4.37Å; L313-T487 HydrophobicContact CD1-CG2 4.49Å; P446-T487 HydrophobicContact CB-CG2 4.32Å; P446-T487 HydrophobicContact CG-CG2 3.91Å; T487-H489 PolarHBondContact O-N 3.3Å; T487-K490 WeakPolarHBondContact O-CG 3.31Å; T487-K490 PolarHBondContact O-N 3.06Å; T487-L517 PolarHBondContact N-O 2.9Å; T487-L517 VanDerWaalsContact N-O 3.14Å; T487-L517 WeakPolarHBondContact OG1-CD2 3.43Å; T487-L517 WeakPolarHBondContact OG1-CG 3.34Å |
| 488 | T | 84.5 | Confident | 86.9 | Confident | 75 Ų | 75 | 35.8 Ų | 35.8 | 46% | 0.46 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -35.3 | 179.4 | -52.8 | 0 | 0 | 0 | 0 | 113 | ||
| 489 | H | 82.6 | Confident | 87.4 | Confident | 69 Ų | 69 | 35.1 Ų | 35.1 | 32% | 0.319 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -3.2 | -178 | -70.8 | -74.9 | 0 | 0 | 0 | 114.8 | H350 K352 P353 T487 I491 | H350-H489 AromaticContact CE1-CG 3.61Å; H350-H489 AromaticContact CE1-ND1 3.57Å; K352-H489 PolarHBondContact O-CE1 3.07Å; K352-H489 VanDerWaalsContact O-CE1 3.24Å; K352-H489 PolarHBondContact O-NE2 2.87Å; P353-H489 WeakPolarHBondContact CD-CD2 3.3Å; P353-H489 WeakPolarHBondContact CD-NE2 3.25Å; T487-H489 PolarHBondContact O-N 3.3Å; H489-I491 HydrophobicContact CB-CD1 3.84Å; H489-I491 HydrophobicContact CB-CG1 4.06Å |
| 490 | K | 87.6 | Confident | 87.9 | Confident | 84 Ų | 84 | 28.2 Ų | 28.2 | 37% | 0.365 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 52.3 | -179.7 | -53.6 | -165.1 | 176.1 | -158.5 | 0 | 113.4 | T309 L313 Y318 F486 T487 | T309-K490 HydrophobicContact CG2-CD 4.06Å; T309-K490 HydrophobicContact CG2-CG 4.01Å; T309-K490 PolarHBondContact OG1-NZ 3.4Å; L313-K490 HydrophobicContact CD2-CB 4.14Å; Y318-K490 HydrophobicContact CD1-CD 4.03Å; Y318-K490 HydrophobicContact CD2-CD 4.47Å; Y318-K490 HydrophobicContact CE1-CD 3.64Å; Y318-K490 HydrophobicContact CE2-CD 4.11Å; Y318-K490 HydrophobicContact CG-CB 4.43Å; Y318-K490 HydrophobicContact CG-CD 4.43Å; Y318-K490 PolarHBondContact OH-NZ 3.44Å; F486-K490 WeakPolarHBondContact O-CA 3.37Å; F486-K490 PolarHBondContact O-N 3.4Å; T487-K490 WeakPolarHBondContact O-CG 3.31Å; T487-K490 PolarHBondContact O-N 3.06Å |
| 491 | I | 86 | Confident | 88.4 | Confident | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.036 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.8 | -177.7 | -57.9 | 174.8 | 0 | 0 | 0 | 110.1 | H350 V485 F486 H489 V493 | H350-I491 HydrophobicContact CB-CD1 3.75Å; H350-I491 WeakPolarHBondContact CD2-CD1 3.22Å; V485-I491 CarbonylContact C-O 3.4Å; V485-I491 WeakPolarHBondContact CA-O 3.17Å; F486-I491 HydrophobicContact CB-CB 4.46Å; F486-I491 PolarHBondContact N-O 3.02Å; F486-I491 PolarHBondContact O-N 2.79Å; H489-I491 HydrophobicContact CB-CD1 3.84Å; H489-I491 HydrophobicContact CB-CG1 4.06Å; I491-V493 HydrophobicContact CG2-CG2 4.26Å |
| 492 | T | 88.1 | Confident | 88.9 | Confident | 31 Ų | 31 | 26.1 Ų | 26.1 | 19% | 0.19 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.5 | 169.3 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | L313 V485 | L313-T492 PolarHBondContact O-OG1 3.43Å; V485-T492 HydrophobicContact CG1-CG2 4.05Å |
| 493 | V | 86.6 | Confident | 89.3 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 94.9 | 175.6 | 176 | 0 | 0 | 0 | 0 | 107 | Y357 Y474 T484 F486 I491 A501 | Y357-V493 HydrophobicContact CE1-CG1 3.52Å; Y357-V493 WeakPolarHBondContact OH-CG1 3.29Å; Y474-V493 HydrophobicContact CE2-CG1 4.49Å; T484-V493 PolarHBondContact N-O 2.87Å; T484-V493 WeakPolarHBondContact O-CA 3.37Å; T484-V493 WeakPolarHBondContact O-CB 3.4Å; T484-V493 PolarHBondContact O-N 3.4Å; F486-V493 HydrophobicContact CD2-CG2 3.92Å; F486-V493 HydrophobicContact CE2-CG2 3.78Å; I491-V493 HydrophobicContact CG2-CG2 4.26Å; V493-A501 HydrophobicContact CG1-CB 4.24Å |
| 494 | T | 86.5 | Confident | 89.5 | Confident | 86 Ų | 86 | 29.2 Ų | 29.2 | 53% | 0.528 | 15% | 0.151 | S | C | . | . | trans | -65.6 | 131.2 | -175.9 | -51.3 | 0 | 0 | 0 | 0 | 112 | Y357 S496 | Y357-T494 PolarHBondContact OH-N 3.44Å; Y357-T494 PolarHBondContact OH-O 3.25Å; T494-S496 PolarHBondContact O-N 3.03Å | ||
| 495 | A | 84.1 | Confident | 89.4 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | trans | -65.3 | 102 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y474 Q477 | Y474-A495 HydrophobicContact CD1-CB 3.55Å; Y474-A495 HydrophobicContact CE1-CB 3.73Å; Y474-A495 HydrophobicContact CG-CB 4.43Å; Q477-A495 WeakPolarHBondContact CG-O 3.48Å | ||
| 496 | S | 89.5 | Confident | 89.1 | Confident | 34 Ų | 34 | 29.8 Ų | 29.8 | 24% | 0.238 | 16% | 0.155 | C | C | . | . | trans | -112 | 120.7 | 179.6 | 174 | 0 | 0 | 0 | 0 | 109.1 | Y474 T494 D499 | Y474-S496 WeakPolarHBondContact CB-O 3.32Å; T494-S496 PolarHBondContact O-N 3.03Å; S496-D499 WeakPolarHBondContact CB-OD2 3.46Å; S496-D499 PolarHBondContact O-N 3.39Å; S496-D499 PolarHBondContact OG-OD2 3.3Å | ||
| 497 | K | 90.7 | Very high | 88.7 | Confident | 72 Ų | 72 | 33.3 Ų | 33.3 | 31% | 0.313 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 147.8 | -176.3 | -167.1 | -176 | 174.5 | -163 | 0 | 110.9 | D364 I367 D499 | D364-K497 WeakPolarHBondContact OD1-CE 3.36Å; D364-K497 IonicContact OD1-NZ 3.7Å; D364-K497 PolarHBondContact OD1-NZ 2.85Å; D364-K497 IonicContact OD2-NZ 3.99Å; I367-K497 HydrophobicContact CD1-CG 4.09Å; K497-D499 PolarHBondContact O-N 2.73Å |
| 498 | H | 93.3 | Very high | 88 | Confident | 48 Ų | 48 | 42 Ų | 42 | 22% | 0.222 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -7.3 | -178.9 | -43.4 | 119.9 | 0 | 0 | 0 | 115.8 | Q360 V361 M362 D364 Y474 | Q360-H498 CarbonylContact C-O 3.58Å; Q360-H498 WeakPolarHBondContact CA-O 3.42Å; Q360-H498 PolarHBondContact N-O 2.73Å; V361-H498 PolarHBondContact N-O 2.74Å; M362-H498 PolarHBondContact N-O 2.78Å; M362-H498 WeakPolarHBondContact O-CB 3.5Å; M362-H498 PolarHBondContact O-CD2 2.83Å; M362-H498 VanDerWaalsContact O-CD2 3.26Å; D364-H498 IonicContact OD1-CD2 3.18Å; D364-H498 IonicContact OD1-CE1 3.38Å; D364-H498 IonicContact OD1-NE2 3.83Å; D364-H498 PolarHBondContact OD1-NE2 2.9Å; D364-H498 IonicContact OD2-CE1 2.68Å; D364-H498 IonicContact OD2-NE2 2.8Å; D364-H498 PolarHBondContact OD2-NE2 3.26Å; D364-H498 VanDerWaalsContact OD2-NE2 3.09Å; Y474-H498 PolarHBondContact O-N 3.3Å |
| 499 | D | 94.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | trans | -98.3 | 165.3 | -176.8 | -58.5 | -44.9 | 0 | 0 | 0 | 113.1 | F358 R359 Q360 F473 Y474 S496 K497 | F358-D499 WeakPolarHBondContact O-CA 3.22Å; R359-D499 WeakPolarHBondContact CA-OD1 3.45Å; R359-D499 WeakPolarHBondContact CD-OD1 3.47Å; R359-D499 IonicContact CZ-OD1 3.3Å; R359-D499 IonicContact CZ-OD2 2.65Å; R359-D499 IonicContact NE-OD1 3.69Å; R359-D499 IonicContact NE-OD2 2.8Å; R359-D499 IonicContact NH1-OD1 2.76Å; R359-D499 PolarHBondContact NH1-OD1 3.4Å; R359-D499 IonicContact NH1-OD2 3.49Å; R359-D499 PolarHBondContact NH1-OD2 2.88Å; Q360-D499 PolarHBondContact N-OD1 2.89Å; F473-D499 CarbonylContact C-O 3.59Å; F473-D499 WeakPolarHBondContact CA-O 3.46Å; Y474-D499 PolarHBondContact N-O 3.16Å; S496-D499 WeakPolarHBondContact CB-OD2 3.46Å; S496-D499 PolarHBondContact O-N 3.39Å; S496-D499 PolarHBondContact OG-OD2 3.3Å; K497-D499 PolarHBondContact O-N 2.73Å | ||
| 500 | A | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y357 F358 V361 M422 V471 L472 F473 | Y357-A500 CarbonylContact C-O 3.52Å; Y357-A500 VanDerWaalsContact CA-O 3.27Å; Y357-A500 WeakPolarHBondContact CA-O 3.17Å; F358-A500 PolarHBondContact N-O 3.02Å; F358-A500 PolarHBondContact O-N 2.76Å; V361-A500 HydrophobicContact CG2-CB 3.74Å; M422-A500 HydrophobicContact CE-CB 4.36Å; V471-A500 HydrophobicContact CG1-CB 4.19Å; L472-A500 CarbonylContact O-C 3.53Å; L472-A500 VanDerWaalsContact O-CA 3.24Å; L472-A500 WeakPolarHBondContact O-CA 3.44Å; F473-A500 HydrophobicContact CB-CB 4.39Å; F473-A500 HydrophobicContact CD1-CB 3.53Å; F473-A500 HydrophobicContact CE1-CB 3.91Å; F473-A500 HydrophobicContact CG-CB 3.92Å |
| 501 | A | 93.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 146 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V356 Y357 V471 L472 Y474 V493 W503 | V356-A501 CarbonylContact O-C 3.57Å; V356-A501 WeakPolarHBondContact O-CA 3.23Å; Y357-A501 HydrophobicContact CD1-CB 4.17Å; Y357-A501 HydrophobicContact CE1-CB 4.21Å; V471-A501 WeakPolarHBondContact CA-O 3.1Å; L472-A501 HydrophobicContact CB-CB 4.43Å; L472-A501 PolarHBondContact N-O 3.44Å; L472-A501 PolarHBondContact O-N 2.94Å; Y474-A501 HydrophobicContact CE2-CB 4.19Å; V493-A501 HydrophobicContact CG1-CB 4.24Å; A501-W503 HydrophobicContact CB-CE3 4.42Å; A501-W503 HydrophobicContact CB-CZ3 3.96Å |
| 502 | F | 94.3 | Very high | 86.1 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 139.9 | 176.5 | 168.9 | -106.8 | 0 | 0 | 0 | 111.5 | V356 F358 T423 A469 T470 V471 F504 | V356-F502 HydrophobicContact CG2-CB 3.98Å; V356-F502 HydrophobicContact CG2-CD1 3.86Å; V356-F502 HydrophobicContact CG2-CG 4.43Å; V356-F502 PolarHBondContact N-O 2.64Å; V356-F502 PolarHBondContact O-N 2.86Å; F358-F502 HydrophobicContact CD2-CB 4.03Å; F358-F502 HydrophobicContact CE2-CB 3.44Å; F358-F502 VanDerWaalsContact CE2-CB 3.44Å; F358-F502 AromaticContact CE2-CD1 3.96Å; F358-F502 HydrophobicContact CE2-CD1 3.96Å; F358-F502 AromaticContact CE2-CG 3.76Å; F358-F502 HydrophobicContact CE2-CG 3.76Å; F358-F502 HydrophobicContact CZ-CB 4.31Å; F358-F502 HydrophobicContact CZ-CD1 4.05Å; F358-F502 HydrophobicContact CZ-CG 4.32Å; T423-F502 HydrophobicContact CG2-CD2 3.72Å; T423-F502 HydrophobicContact CG2-CE2 3.49Å; T423-F502 VanDerWaalsContact CG2-CE2 3.49Å; T423-F502 HydrophobicContact CG2-CG 4.37Å; T423-F502 HydrophobicContact CG2-CZ 3.99Å; A469-F502 HydrophobicContact CB-CE2 3.84Å; A469-F502 HydrophobicContact CB-CZ 4.37Å; T470-F502 WeakPolarHBondContact O-CA 3.34Å; T470-F502 VanDerWaalsContact O-CD2 3.29Å; T470-F502 WeakPolarHBondContact O-CD2 3.42Å; V471-F502 HydrophobicContact CG2-CB 4.44Å; V471-F502 HydrophobicContact CG2-CD2 3.61Å; V471-F502 HydrophobicContact CG2-CE2 4.35Å; V471-F502 HydrophobicContact CG2-CG 4.42Å; F502-F504 HydrophobicContact CE1-CD2 4.21Å; F502-F504 AromaticContact CE1-CE2 3.75Å; F502-F504 HydrophobicContact CE1-CE2 3.75Å; F502-F504 HydrophobicContact CE1-CZ 4.24Å; F502-F504 HydrophobicContact CZ-CD2 4.11Å; F502-F504 HydrophobicContact CZ-CE1 4.29Å; F502-F504 AromaticContact CZ-CE2 3.71Å; F502-F504 HydrophobicContact CZ-CE2 3.71Å; F502-F504 AromaticContact CZ-CZ 3.8Å; F502-F504 HydrophobicContact CZ-CZ 3.8Å |
| 503 | W | 93.9 | Very high | 86 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 160.7 | 171.5 | 60.7 | 92.1 | 0 | 0 | 0 | 109.9 | I355 A469 T470 L472 F486 A501 N505 H518 | I355-W503 HydrophobicContact CG1-CB 4.47Å; A469-W503 WeakPolarHBondContact CB-O 3.36Å; T470-W503 HydrophobicContact CG2-CH2 3.82Å; T470-W503 HydrophobicContact CG2-CZ2 3.53Å; T470-W503 PolarHBondContact N-O 3.19Å; T470-W503 VanDerWaalsContact N-O 3.08Å; T470-W503 PolarHBondContact O-N 2.03Å; L472-W503 HydrophobicContact CB-CH2 3.98Å; L472-W503 HydrophobicContact CB-CZ3 4.06Å; L472-W503 HydrophobicContact CD2-CH2 4.1Å; L472-W503 HydrophobicContact CD2-CZ3 4.32Å; F486-W503 HydrophobicContact CE1-CD2 4.35Å; F486-W503 HydrophobicContact CZ-CD2 4.1Å; F486-W503 AromaticContact CZ-CE3 3.91Å; F486-W503 HydrophobicContact CZ-CE3 3.91Å; F486-W503 HydrophobicContact CZ-CH2 4.42Å; F486-W503 HydrophobicContact CZ-CZ3 4.08Å; A501-W503 HydrophobicContact CB-CE3 4.42Å; A501-W503 HydrophobicContact CB-CZ3 3.96Å; W503-N505 PolarHBondContact NE1-OD1 2.86Å; W503-H518 AromaticContact CZ2-CE1 3.59Å; W503-H518 AromaticContact CZ2-NE2 3.58Å |
| 504 | F | 90 | Very high | 85.9 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 141.4 | 167.4 | -70.9 | -90.8 | 0 | 0 | 0 | 109.2 | L425 A469 F502 T516 | L425-F504 HydrophobicContact CD1-CE1 3.99Å; L425-F504 HydrophobicContact CD2-CE1 4.32Å; A469-F504 HydrophobicContact CB-CD1 3.95Å; A469-F504 HydrophobicContact CB-CE1 4.44Å; A469-F504 HydrophobicContact CB-CG 4.44Å; F502-F504 HydrophobicContact CE1-CD2 4.21Å; F502-F504 AromaticContact CE1-CE2 3.75Å; F502-F504 HydrophobicContact CE1-CE2 3.75Å; F502-F504 HydrophobicContact CE1-CZ 4.24Å; F502-F504 HydrophobicContact CZ-CD2 4.11Å; F502-F504 HydrophobicContact CZ-CE1 4.29Å; F502-F504 AromaticContact CZ-CE2 3.71Å; F502-F504 HydrophobicContact CZ-CE2 3.71Å; F502-F504 AromaticContact CZ-CZ 3.8Å; F502-F504 HydrophobicContact CZ-CZ 3.8Å; F504-T516 WeakPolarHBondContact O-CG2 3.14Å |
| 505 | N | 88.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -93.1 | -19.4 | 178.3 | -58.2 | -29 | 0 | 0 | 0 | 111.9 | D449 M450 R467 I468 A469 T470 W503 D513 | D449-N505 WeakPolarHBondContact CB-ND2 3.4Å; M450-N505 HydrophobicContact CB-CB 3.94Å; M450-N505 HydrophobicContact CG-CB 4.18Å; M450-N505 WeakPolarHBondContact CG-O 3.49Å; M450-N505 HydrophobicContact SD-CB 3.81Å; M450-N505 VanDerWaalsContact SD-O 3.34Å; R467-N505 VanDerWaalsContact O-CB 3.31Å; R467-N505 WeakPolarHBondContact O-CB 3.48Å; R467-N505 PolarHBondContact O-ND2 3.31Å; R467-N505 VanDerWaalsContact O-ND2 3.07Å; I468-N505 PolarHBondContact O-N 2.82Å; A469-N505 VanDerWaalsContact C-ND2 3.31Å; T470-N505 PolarHBondContact OG1-ND2 2.98Å; T470-N505 PolarHBondContact OG1-OD1 2.99Å; W503-N505 PolarHBondContact NE1-OD1 2.86Å; N505-D513 PolarHBondContact O-N 3.27Å |
| 506 | V | 84.4 | Confident | 86.2 | Confident | 17 Ų | 17 | 46.5 Ų | 46.5 | 10% | 0.103 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -119.5 | 148.4 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | M450 I468 E511 | M450-V506 HydrophobicContact CB-CG1 4.41Å; I468-V506 HydrophobicContact CB-CG2 3.98Å; I468-V506 HydrophobicContact CG2-CG2 4.12Å; I468-V506 PolarHBondContact O-N 2.85Å; V506-E511 CarbonylContact C-O 3.58Å; V506-E511 VanDerWaalsContact CA-O 3.29Å; V506-E511 WeakPolarHBondContact CA-O 3.18Å; V506-E511 WeakPolarHBondContact CB-O 3.36Å |
| 507 | L | 82.7 | Confident | 86.1 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | trans | -67.5 | 162.9 | 168.2 | -62.1 | 177.2 | 0 | 0 | 0 | 110.3 | N509 G510 E511 D513 | L507-N509 WeakPolarHBondContact CB-OD1 3.26Å; L507-N509 PolarHBondContact O-N 2.74Å; L507-G510 PolarHBondContact O-N 3.43Å; L507-E511 HydrophobicContact CD1-CB 4.37Å; L507-E511 PolarHBondContact N-O 3.2Å; L507-D513 HydrophobicContact CD2-CB 3.92Å; L507-D513 HydrophobicContact CG-CB 4.06Å | ||
| 508 | H | 72.3 | Confident | 86.1 | Confident | 187 Ų | 187 | 43 Ų | 43 | 87% | 0.866 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.9 | -175 | -69.2 | 16.7 | 0 | 0 | 0 | 114.8 | ||
| 509 | N | 73 | Confident | 85.9 | Confident | 118 Ų | 118 | 40.8 Ų | 40.8 | 63% | 0.631 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 0.7 | 172.2 | 63 | -29.4 | 0 | 0 | 0 | 113.7 | L507 E511 | L507-N509 WeakPolarHBondContact CB-OD1 3.26Å; L507-N509 PolarHBondContact O-N 2.74Å; N509-E511 WeakPolarHBondContact ND2-CG 3.34Å |
| 510 | G | 67.7 | Low | 85.6 | Confident | 49 Ų | 49 | 41 Ų | 41 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 93.2 | -8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L507 | L507-G510 PolarHBondContact O-N 3.43Š|
| 511 | E | 77.5 | Confident | 85.4 | Confident | 114 Ų | 114 | 41.2 Ų | 41.2 | 53% | 0.533 | 23% | 0.225 | S | C | . | . | trans | -70.8 | 144 | 179 | -67.7 | -65 | 157.5 | 0 | 0 | 112.1 | V506 L507 N509 D513 | V506-E511 CarbonylContact C-O 3.58Å; V506-E511 VanDerWaalsContact CA-O 3.29Å; V506-E511 WeakPolarHBondContact CA-O 3.18Å; V506-E511 WeakPolarHBondContact CB-O 3.36Å; L507-E511 HydrophobicContact CD1-CB 4.37Å; L507-E511 PolarHBondContact N-O 3.2Å; N509-E511 WeakPolarHBondContact ND2-CG 3.34Å; E511-D513 PolarHBondContact O-N 2.86Å | ||
| 512 | P | 81.6 | Confident | 85 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 20% | 0.195 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -59 | 127.4 | 176.9 | -24.6 | 35.3 | 0 | 0 | 0 | 113.2 | M450 S451 T514 | M450-P512 HydrophobicContact CE-CB 3.84Å; M450-P512 HydrophobicContact CG-CB 3.88Å; S451-P512 WeakPolarHBondContact O-CG 3.22Å; P512-T514 PolarHBondContact O-N 3.14Å; P512-T514 VanDerWaalsContact O-N 3.17Å |
| 513 | D | 86.5 | Confident | 84.6 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | trans | -84.3 | 89.3 | 175.1 | -169.2 | -13 | 0 | 0 | 0 | 110.9 | M450 N505 L507 E511 S515 T516 | M450-D513 WeakPolarHBondContact CE-O 3.4Å; N505-D513 PolarHBondContact O-N 3.27Å; L507-D513 HydrophobicContact CD2-CB 3.92Å; L507-D513 HydrophobicContact CG-CB 4.06Å; E511-D513 PolarHBondContact O-N 2.86Å; D513-S515 VanDerWaalsContact CG-OG 3.27Å; D513-S515 PolarHBondContact O-N 3.31Å; D513-S515 VanDerWaalsContact OD1-CB 3.24Å; D513-S515 WeakPolarHBondContact OD1-CB 3.32Å; D513-S515 PolarHBondContact OD1-N 3.42Å; D513-S515 PolarHBondContact OD1-OG 2.98Å; D513-S515 PolarHBondContact OD2-OG 3.02Å; D513-T516 HydrophobicContact CB-CG2 4.06Å; D513-T516 WeakPolarHBondContact O-CB 3.45Å; D513-T516 WeakPolarHBondContact O-CG2 3.43Å; D513-T516 PolarHBondContact O-N 2.58Å; D513-T516 VanDerWaalsContact O-N 3.1Å; D513-T516 PolarHBondContact O-OG1 2.93Å | ||
| 514 | T | 85.5 | Confident | 84.1 | Confident | 92 Ų | 92 | 40.9 Ų | 40.9 | 56% | 0.564 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -63.3 | -6.6 | 179.3 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | F448 P512 T516 | F448-T514 WeakPolarHBondContact CE1-O 3.45Å; F448-T514 HydrophobicContact CZ-CG2 4.38Å; P512-T514 PolarHBondContact O-N 3.14Å; P512-T514 VanDerWaalsContact O-N 3.17Å; T514-T516 PolarHBondContact O-N 2.88Å |
| 515 | S | 86.6 | Confident | 83.5 | Confident | 20 Ų | 20 | 37.5 Ų | 37.5 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -76.1 | -10 | 172.6 | 76.7 | 0 | 0 | 0 | 0 | 113.7 | P353 D513 L517 | P353-S515 WeakPolarHBondContact CB-OG 3.09Å; P353-S515 VanDerWaalsContact CD-OG 3.28Å; P353-S515 WeakPolarHBondContact CD-OG 3.43Å; P353-S515 WeakPolarHBondContact CG-OG 3.45Å; D513-S515 VanDerWaalsContact CG-OG 3.27Å; D513-S515 PolarHBondContact O-N 3.31Å; D513-S515 VanDerWaalsContact OD1-CB 3.24Å; D513-S515 WeakPolarHBondContact OD1-CB 3.32Å; D513-S515 PolarHBondContact OD1-N 3.42Å; D513-S515 PolarHBondContact OD1-OG 2.98Å; D513-S515 PolarHBondContact OD2-OG 3.02Å; S515-L517 PolarHBondContact O-N 3.19Å |
| 516 | T | 88.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -87.8 | 8.6 | -177.4 | 63.4 | 0 | 0 | 0 | 0 | 115.2 | P353 F504 D513 T514 H518 | P353-T516 HydrophobicContact CB-CG2 4.06Å; P353-T516 HydrophobicContact CG-CG2 4.3Å; F504-T516 WeakPolarHBondContact O-CG2 3.14Å; D513-T516 HydrophobicContact CB-CG2 4.06Å; D513-T516 WeakPolarHBondContact O-CB 3.45Å; D513-T516 WeakPolarHBondContact O-CG2 3.43Å; D513-T516 PolarHBondContact O-N 2.58Å; D513-T516 VanDerWaalsContact O-N 3.1Å; D513-T516 PolarHBondContact O-OG1 2.93Å; T514-T516 PolarHBondContact O-N 2.88Å; T516-H518 PolarHBondContact O-N 3.35Å; T516-H518 VanDerWaalsContact O-N 3.13Å; T516-H518 PolarHBondContact O-ND1 3.12Å |
| 517 | L | 88 | Confident | 82.6 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | trans | -56.2 | 116.2 | 179.4 | -175.4 | 63.7 | 0 | 0 | 0 | 110.6 | P446 F448 F486 T487 S515 | P446-L517 HydrophobicContact CB-CD1 3.94Å; P446-L517 HydrophobicContact CB-CD2 4.39Å; P446-L517 HydrophobicContact CB-CG 4.04Å; F448-L517 HydrophobicContact CD1-CB 4.36Å; F448-L517 HydrophobicContact CD1-CD1 4.39Å; F448-L517 HydrophobicContact CD2-CD1 4.27Å; F448-L517 HydrophobicContact CE1-CB 3.59Å; F448-L517 HydrophobicContact CE1-CD1 4.07Å; F448-L517 HydrophobicContact CE1-CG 4.4Å; F448-L517 HydrophobicContact CE2-CD1 3.95Å; F448-L517 HydrophobicContact CG-CD1 4.49Å; F448-L517 HydrophobicContact CZ-CB 3.82Å; F448-L517 HydrophobicContact CZ-CD1 3.85Å; F448-L517 HydrophobicContact CZ-CG 4.28Å; F486-L517 WeakPolarHBondContact CA-O 3.32Å; T487-L517 PolarHBondContact N-O 2.9Å; T487-L517 VanDerWaalsContact N-O 3.14Å; T487-L517 WeakPolarHBondContact OG1-CD2 3.43Å; T487-L517 WeakPolarHBondContact OG1-CG 3.34Å; S515-L517 PolarHBondContact O-N 3.19Å | ||
| 518 | H | 90.9 | Very high | 82.8 | Confident | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 160 | -170.8 | 74.1 | -78.1 | 0 | 0 | 0 | 113.5 | P446 H447 D449 V485 F486 W503 T516 | P446-H518 CarbonylContact C-O 3.48Å; P446-H518 WeakPolarHBondContact CA-O 3.08Å; H447-H518 AromaticContact CE1-NE2 3.74Å; H447-H518 PolarHBondContact CE1-O 2.84Å; H447-H518 PolarHBondContact N-O 3.46Å; H447-H518 PolarHBondContact ND1-O 3.36Å; H447-H518 AromaticContact NE2-CE1 3.71Å; H447-H518 AromaticContact NE2-NE2 3.51Å; H447-H518 PolarHBondContact O-N 3.05Å; H447-H518 VanDerWaalsContact O-N 3.13Å; D449-H518 IonicContact OD2-CE1 3.33Å; V485-H518 CarbonylContact O-C 3.52Å; V485-H518 WeakPolarHBondContact O-CA 3.33Å; F486-H518 HydrophobicContact CD1-CB 3.63Å; F486-H518 HydrophobicContact CD2-CB 4.31Å; F486-H518 HydrophobicContact CE1-CB 3.65Å; F486-H518 HydrophobicContact CE2-CB 4.31Å; F486-H518 HydrophobicContact CG-CB 3.97Å; F486-H518 HydrophobicContact CZ-CB 3.99Å; W503-H518 AromaticContact CZ2-CE1 3.59Å; W503-H518 AromaticContact CZ2-NE2 3.58Å; T516-H518 PolarHBondContact O-N 3.35Å; T516-H518 VanDerWaalsContact O-N 3.13Å; T516-H518 PolarHBondContact O-ND1 3.12Å |
| 519 | A | 88.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 161.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y310 Y444 P446 T484 V485 | Y310-A519 HydrophobicContact CD2-CB 3.62Å; Y310-A519 HydrophobicContact CE2-CB 3.49Å; Y310-A519 VanDerWaalsContact CE2-CB 3.49Å; Y444-A519 CarbonylContact O-C 3.58Å; Y444-A519 WeakPolarHBondContact O-CA 3.23Å; Y444-A519 VanDerWaalsContact O-CB 3.3Å; Y444-A519 WeakPolarHBondContact O-CB 3.46Å; P446-A519 HydrophobicContact CB-CB 4.46Å; P446-A519 HydrophobicContact CG-CB 4.06Å; T484-A519 CarbonylContact C-O 3.58Å; T484-A519 WeakPolarHBondContact CA-O 3.26Å; V485-A519 HydrophobicContact CG2-CB 3.85Å; V485-A519 PolarHBondContact N-O 3.49Å; V485-A519 PolarHBondContact O-N 3Å |
| 520 | A | 88.3 | Confident | 84.5 | Confident | 6 Ų | 6 | 21.2 Ų | 21.2 | 5% | 0.05 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | Y310 Y438 H443 Y444 | Y310-A520 PolarHBondContact OH-O 3.42Å; Y438-A520 HydrophobicContact CE1-CB 4.25Å; H443-A520 WeakPolarHBondContact CB-O 3.41Å; Y444-A520 PolarHBondContact N-O 3.42Å; Y444-A520 PolarHBondContact O-N 3.43Å; Y444-A520 VanDerWaalsContact O-O 3.1Å |
| 521 | C | 90.1 | Very high | 85.7 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.02 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 154.4 | 174.3 | -64 | 0 | 0 | 0 | 0 | 111.8 | C314 G482 G483 V485 | C314-C521 WeakPolarHBondContact CA-SG 3.33Å; C314-C521 HydrophobicContact CB-CB 3.67Å; C314-C521 WeakPolarHBondContact CB-SG 3.46Å; C314-C521 WeakPolarHBondContact SG-CA 3.28Å; C314-C521 WeakPolarHBondContact SG-CB 3.19Å; C314-C521 CovalentContact SG-SG 2.03Å; C314-C521 PolarHBondContact SG-SG 2.9Å; G482-C521 WeakPolarHBondContact CA-O 3.22Å; G483-C521 PolarHBondContact O-N 2.91Å; V485-C521 VanDerWaalsContact CG1-SG 3.54Å |
| 522 | P | 86.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 144.1 | 175 | -17.2 | 30.9 | 0 | 0 | 0 | 111.5 | R161 L162 V165 Y166 G442 H443 G481 G482 | R161-P522 HydrophobicContact CG-CG 4.35Å; L162-P522 HydrophobicContact CD2-CB 3.89Å; V165-P522 HydrophobicContact CB-CG 4.34Å; V165-P522 HydrophobicContact CG1-CG 4.21Å; V165-P522 HydrophobicContact CG2-CG 4.13Å; Y166-P522 HydrophobicContact CE2-CB 4.27Å; Y166-P522 PolarHBondContact OH-O 3.28Å; Y166-P522 VanDerWaalsContact OH-O 3.12Å; G442-P522 VanDerWaalsContact O-CA 3.31Å; G442-P522 WeakPolarHBondContact O-CA 3.33Å; H443-P522 HydrophobicContact CB-CB 4.25Å; H443-P522 HydrophobicContact CB-CG 4.01Å; G481-P522 WeakPolarHBondContact CA-O 3.48Å; G482-P522 PolarHBondContact N-O 3.34Å |
| 523 | V | 85.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.4 | 167.3 | -177.6 | 0 | 0 | 0 | 0 | 109 | G439 G441 G442 P478 A525 G526 K528 | G439-V523 WeakPolarHBondContact O-CB 3.45Å; G441-V523 PolarHBondContact N-O 2.8Å; G442-V523 PolarHBondContact O-N 3.09Å; P478-V523 HydrophobicContact CB-CG1 3.76Å; P478-V523 HydrophobicContact CB-CG2 4.49Å; V523-A525 WeakPolarHBondContact CG1-O 3.32Å; V523-G526 VanDerWaalsContact CG1-O 3.32Å; V523-G526 WeakPolarHBondContact CG1-O 3.2Å; V523-K528 HydrophobicContact CG2-CB 3.82Å |
| 524 | L | 83 | Confident | 87.1 | Confident | 10 Ų | 10 | 11.8 Ų | 11.8 | 5% | 0.052 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -36.6 | -179.9 | 178.1 | 62.9 | 0 | 0 | 0 | 112 | L162 Y166 L168 I178 A480 | L162-L524 HydrophobicContact CD1-CD1 4.45Å; L162-L524 HydrophobicContact CD2-CB 4.44Å; L162-L524 HydrophobicContact CD2-CD1 4.05Å; Y166-L524 HydrophobicContact CD1-CD2 4.4Å; Y166-L524 HydrophobicContact CD2-CB 4.22Å; Y166-L524 HydrophobicContact CD2-CD1 3.98Å; Y166-L524 HydrophobicContact CD2-CD2 4.25Å; Y166-L524 HydrophobicContact CD2-CG 4.39Å; Y166-L524 HydrophobicContact CE2-CB 3.93Å; Y166-L524 HydrophobicContact CG-CD1 4.46Å; Y166-L524 HydrophobicContact CG-CD2 4.18Å; L168-L524 HydrophobicContact CD1-CD1 4.25Å; I178-L524 HydrophobicContact CG2-CD1 3.97Å; A480-L524 HydrophobicContact CB-CB 3.93Å; A480-L524 HydrophobicContact CB-CD2 4.09Å; A480-L524 HydrophobicContact CB-CG 4.23Å; A480-L524 PolarHBondContact O-N 2.56Å |
| 525 | A | 77.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 7.6 Ų | 7.6 | 3% | 0.025 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 149.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T181 E479 A480 V523 | T181-A525 HydrophobicContact CG2-CB 4.39Å; E479-A525 HydrophobicContact CB-CB 3.97Å; E479-A525 PolarHBondContact N-O 2.83Å; A480-A525 HydrophobicContact CB-CB 4.13Å; A480-A525 PolarHBondContact N-O 3.4Å; A480-A525 PolarHBondContact O-N 3.26Å; V523-A525 WeakPolarHBondContact CG1-O 3.32Å |
| 526 | G | 74.2 | Confident | 86.6 | Confident | 8 Ų | 8 | 7.6 Ų | 7.6 | 8% | 0.082 | 4% | 0.042 | C | C | . | . | S | Bend | trans | 68 | -153.5 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | M30 E479 V523 | M30-G526 WeakPolarHBondContact CE-O 3.46Å; E479-G526 PolarHBondContact OE2-N 2.94Å; V523-G526 VanDerWaalsContact CG1-O 3.32Å; V523-G526 WeakPolarHBondContact CG1-O 3.2Å |
| 527 | T | 81.3 | Confident | 85.6 | Confident | 28 Ų | 28 | 12.1 Ų | 12.1 | 17% | 0.172 | 6% | 0.063 | C | C | . | . | trans | -145.9 | 141.9 | -178.6 | -178 | 0 | 0 | 0 | 0 | 113.3 | N437 Y438 S476 | N437-T527 PolarHBondContact ND2-OG1 2.94Å; Y438-T527 WeakPolarHBondContact O-CA 3.32Å; Y438-T527 PolarHBondContact O-OG1 3.16Å; S476-T527 PolarHBondContact OG-O 3.25Å | ||
| 528 | K | 86.6 | Confident | 83.3 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.013 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.6 | 178.9 | 175.9 | -171.4 | -173.2 | 173.4 | 0 | 110.3 | N437 Y438 S476 P478 G482 G483 T484 V523 V530 | N437-K528 PolarHBondContact ND2-O 3.09Å; Y438-K528 HydrophobicContact CD2-CB 4.48Å; Y438-K528 HydrophobicContact CD2-CD 4.09Å; Y438-K528 HydrophobicContact CD2-CG 4.27Å; Y438-K528 PolarHBondContact N-O 3.45Å; Y438-K528 PolarHBondContact O-N 3.47Å; S476-K528 WeakPolarHBondContact OG-CA 3.38Å; P478-K528 HydrophobicContact CG-CB 4.31Å; G482-K528 VanDerWaalsContact O-CD 3.24Å; G482-K528 WeakPolarHBondContact O-CD 3.5Å; G482-K528 VanDerWaalsContact O-CE 3.22Å; G482-K528 WeakPolarHBondContact O-CE 3.46Å; G482-K528 PolarHBondContact O-NZ 3.28Å; G483-K528 PolarHBondContact O-NZ 2.88Å; T484-K528 PolarHBondContact OG1-NZ 2.72Å; V523-K528 HydrophobicContact CG2-CB 3.82Å; K528-V530 HydrophobicContact CD-CG1 4.43Å; K528-V530 HydrophobicContact CG-CG1 4.08Å |
| 529 | W | 89.8 | Confident | 80.4 | Confident | 15 Ų | 15 | 18.9 Ų | 18.9 | 6% | 0.057 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.7 | 171 | -72.4 | 82.7 | 0 | 0 | 0 | 110.3 | A31 K371 M375 L378 I435 A436 N437 M475 S476 | A31-W529 HydrophobicContact CB-CH2 3.75Å; A31-W529 HydrophobicContact CB-CZ2 3.4Å; A31-W529 VanDerWaalsContact CB-CZ2 3.4Å; K371-W529 HydrophobicContact CB-CH2 4.48Å; K371-W529 HydrophobicContact CB-CZ3 4.46Å; K371-W529 HydrophobicContact CD-CD2 4.06Å; K371-W529 HydrophobicContact CD-CE3 4.36Å; K371-W529 HydrophobicContact CD-CG 4.38Å; K371-W529 HydrophobicContact CD-CZ2 4.44Å; K371-W529 HydrophobicContact CG-CD2 4.1Å; K371-W529 HydrophobicContact CG-CE3 3.87Å; K371-W529 HydrophobicContact CG-CH2 4.27Å; K371-W529 HydrophobicContact CG-CZ2 4.47Å; K371-W529 HydrophobicContact CG-CZ3 3.96Å; M375-W529 HydrophobicContact CG-CH2 3.75Å; M375-W529 HydrophobicContact CG-CZ2 4.42Å; M375-W529 HydrophobicContact SD-CH2 4.45Å; L378-W529 HydrophobicContact CD1-CH2 3.71Å; L378-W529 HydrophobicContact CD1-CZ3 3.87Å; I435-W529 HydrophobicContact CG2-CE3 4.05Å; I435-W529 HydrophobicContact CG2-CZ3 4.09Å; A436-W529 WeakPolarHBondContact O-CA 3.05Å; N437-W529 HydrophobicContact CB-CD2 4.03Å; N437-W529 HydrophobicContact CB-CE3 3.97Å; N437-W529 HydrophobicContact CB-CH2 4.41Å; N437-W529 HydrophobicContact CB-CZ2 4.45Å; N437-W529 HydrophobicContact CB-CZ3 4.17Å; N437-W529 VanDerWaalsContact ND2-CD1 3.3Å; N437-W529 VanDerWaalsContact ND2-CE2 3.27Å; N437-W529 PolarHBondContact ND2-NE1 2.92Å; N437-W529 VanDerWaalsContact ND2-NE1 3.13Å; M475-W529 HydrophobicContact CB-CB 3.87Å; M475-W529 HydrophobicContact CE-CB 4.47Å; M475-W529 HydrophobicContact CE-CE3 4.47Å; M475-W529 PolarHBondContact N-O 2.84Å; S476-W529 PolarHBondContact N-O 3.32Å; S476-W529 PolarHBondContact OG-N 3.23Å |
| 530 | V | 91.8 | Very high | 77.3 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 163.6 | 177.4 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | A436 Y438 L472 F473 Y474 K528 | A436-V530 HydrophobicContact CB-CG2 3.87Å; A436-V530 PolarHBondContact N-O 3.49Å; A436-V530 PolarHBondContact O-N 3.47Å; Y438-V530 HydrophobicContact CE2-CG2 3.89Å; L472-V530 HydrophobicContact CD1-CB 3.68Å; L472-V530 HydrophobicContact CD1-CG1 3.96Å; L472-V530 HydrophobicContact CD1-CG2 3.93Å; F473-V530 CarbonylContact O-C 3.57Å; F473-V530 WeakPolarHBondContact O-CA 3.44Å; F473-V530 WeakPolarHBondContact O-CB 3.24Å; Y474-V530 HydrophobicContact CD1-CG1 3.78Å; Y474-V530 HydrophobicContact CE1-CG1 4.13Å; K528-V530 HydrophobicContact CD-CG1 4.43Å; K528-V530 HydrophobicContact CG-CG1 4.08Å |
| 531 | A | 92.6 | Very high | 74.5 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L433 Q434 I435 L472 F473 M475 | L433-A531 HydrophobicContact CD1-CB 4.15Å; L433-A531 HydrophobicContact CG-CB 4.34Å; Q434-A531 CarbonylContact O-C 3.56Å; Q434-A531 VanDerWaalsContact O-CA 3.22Å; Q434-A531 WeakPolarHBondContact O-CA 3.11Å; I435-A531 HydrophobicContact CD1-CB 3.43Å; I435-A531 VanDerWaalsContact CD1-CB 3.43Å; L472-A531 CarbonylContact C-O 3.57Å; L472-A531 WeakPolarHBondContact CA-O 3.38Å; F473-A531 HydrophobicContact CB-CB 4.09Å; F473-A531 HydrophobicContact CD2-CB 4.22Å; F473-A531 PolarHBondContact N-O 3.47Å; F473-A531 PolarHBondContact O-N 3.47Å; M475-A531 HydrophobicContact CE-CB 4.27Å; M475-A531 HydrophobicContact SD-CB 4.36Å |
| 532 | N | 91.7 | Very high | 71.4 | Confident | 16 Ų | 16 | 26.2 Ų | 26.2 | 9% | 0.086 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.2 | 177.5 | -69.2 | -13 | 0 | 0 | 0 | 111.4 | Q434 V471 L472 W534 | Q434-N532 HydrophobicContact CB-CB 4.23Å; Q434-N532 PolarHBondContact N-O 2.92Å; Q434-N532 PolarHBondContact O-N 2.88Å; V471-N532 CarbonylContact O-C 3.58Å; V471-N532 VanDerWaalsContact O-CA 3.26Å; V471-N532 WeakPolarHBondContact O-CA 3.27Å; L472-N532 WeakPolarHBondContact CD1-OD1 3.38Å; N532-W534 HydrophobicContact CB-CD2 4.48Å; N532-W534 HydrophobicContact CB-CE3 4.34Å; N532-W534 HydrophobicContact CB-CH2 3.83Å; N532-W534 HydrophobicContact CB-CZ2 3.94Å; N532-W534 HydrophobicContact CB-CZ3 4.02Å |
| 533 | K | 92.9 | Very high | 68.7 | Low | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128 | 168.6 | -169.3 | 78.8 | 170.4 | 175 | 0 | 109 | D406 C416 V419 M427 E431 L433 V471 | D406-K533 IonicContact OD1-NZ 2.68Å; D406-K533 PolarHBondContact OD1-NZ 2.76Å; D406-K533 IonicContact OD2-NZ 3.48Å; C416-K533 PolarHBondContact SG-NZ 3.06Å; C416-K533 VanDerWaalsContact SG-NZ 3.41Å; V419-K533 HydrophobicContact CG1-CG 4.41Å; V419-K533 HydrophobicContact CG2-CG 4.47Å; M427-K533 HydrophobicContact SD-CG 4.14Å; E431-K533 WeakPolarHBondContact O-CD 3.47Å; E431-K533 VanDerWaalsContact O-CE 3.24Å; E431-K533 WeakPolarHBondContact O-CE 3.38Å; E431-K533 PolarHBondContact O-NZ 3.42Å; L433-K533 HydrophobicContact CD1-CB 4.14Å; L433-K533 HydrophobicContact CD1-CD 4.29Å; V471-K533 PolarHBondContact N-O 3.2Å; V471-K533 VanDerWaalsContact N-O 3.1Å; V471-K533 PolarHBondContact O-N 3.31Å |
| 534 | W | 90.2 | Very high | 66.3 | Low | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 155.6 | -179.3 | -63.4 | -73.2 | 0 | 0 | 0 | 110.9 | W403 A430 E431 Q434 D449 R467 T470 N532 | W403-W534 HydrophobicContact CH2-CE3 4.28Å; W403-W534 AromaticContact CH2-CZ3 3.7Å; W403-W534 HydrophobicContact CH2-CZ3 3.7Å; W403-W534 HydrophobicContact CZ3-CE3 4.15Å; W403-W534 AromaticContact CZ3-CZ3 3.82Å; W403-W534 HydrophobicContact CZ3-CZ3 3.82Å; A430-W534 CarbonylContact C-O 3.46Å; A430-W534 WeakPolarHBondContact CA-O 3.49Å; A430-W534 VanDerWaalsContact CB-O 3.23Å; A430-W534 WeakPolarHBondContact CB-O 3.43Å; E431-W534 HydrophobicContact CB-CB 4.33Å; E431-W534 HydrophobicContact CG-CB 4.12Å; E431-W534 PolarHBondContact N-O 2.96Å; Q434-W534 HydrophobicContact CB-CH2 4.48Å; Q434-W534 HydrophobicContact CB-CZ3 3.87Å; Q434-W534 HydrophobicContact CG-CZ3 4.39Å; D449-W534 WeakPolarHBondContact OD1-CZ2 3.34Å; D449-W534 PolarHBondContact OD1-NE1 2.96Å; D449-W534 PolarHBondContact OD2-NE1 2.83Å; D449-W534 VanDerWaalsContact OD2-NE1 3.1Å; R467-W534 HydrophobicContact CG-CB 4.17Å; R467-W534 VanDerWaalsContact CZ-CD2 3.49Å; R467-W534 VanDerWaalsContact NH1-CE2 3.33Å; R467-W534 VanDerWaalsContact NH2-CD2 3.31Å; T470-W534 PolarHBondContact OG1-NE1 2.91Å; N532-W534 HydrophobicContact CB-CD2 4.48Å; N532-W534 HydrophobicContact CB-CE3 4.34Å; N532-W534 HydrophobicContact CB-CH2 3.83Å; N532-W534 HydrophobicContact CB-CZ2 3.94Å; N532-W534 HydrophobicContact CB-CZ3 4.02Å |
| 535 | I | 86.4 | Confident | 64.3 | Low | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | trans | -133.5 | 140 | -161 | -53.8 | 170.1 | 0 | 0 | 0 | 112 | L425 S426 M427 A430 R467 I468 | L425-I535 HydrophobicContact CB-CD1 3.86Å; L425-I535 HydrophobicContact CB-CG2 4.44Å; L425-I535 HydrophobicContact CD1-CD1 3.58Å; L425-I535 HydrophobicContact CG-CD1 4.37Å; S426-I535 WeakPolarHBondContact O-CG2 3.46Å; M427-I535 HydrophobicContact CE-CD1 3.59Å; M427-I535 HydrophobicContact CE-CG1 3.84Å; A430-I535 HydrophobicContact CB-CG1 4.3Å; R467-I535 WeakPolarHBondContact CA-O 3.32Å; I468-I535 HydrophobicContact CD1-CB 4.47Å; I468-I535 HydrophobicContact CD1-CG2 3.96Å; I468-I535 HydrophobicContact CG1-CB 3.96Å; I468-I535 HydrophobicContact CG1-CG2 4Å; I468-I535 PolarHBondContact N-O 3.23Å; I468-I535 VanDerWaalsContact N-O 3.12Å | ||
| 536 | H | 75.8 | Confident | 62.9 | Low | 20 Ų | 20 | 34.7 Ų | 34.7 | 9% | 0.093 | 18% | 0.18 | C | C | . | . | trans | -155 | -155.2 | -144.3 | -103 | -30.2 | 0 | 0 | 0 | 116.2 | T429 E431 F459 L462 A464 G465 | T429-H536 VanDerWaalsContact CB-O 3.3Å; T429-H536 WeakPolarHBondContact CB-O 3.26Å; T429-H536 WeakPolarHBondContact O-CB 3.27Å; T429-H536 PolarHBondContact OG1-O 3.06Å; E431-H536 VanDerWaalsContact CG-CD2 3.4Å; E431-H536 WeakPolarHBondContact CG-CD2 3.46Å; E431-H536 IonicContact OE1-CD2 3.34Å; E431-H536 IonicContact OE1-NE2 3.61Å; E431-H536 PolarHBondContact OE1-NE2 2.99Å; F459-H536 AromaticContact CD1-CE1 3.59Å; F459-H536 AromaticContact CG-CE1 3.86Å; L462-H536 WeakPolarHBondContact CD1-NE2 3.5Å; A464-H536 HydrophobicContact CB-CB 3.87Å; A464-H536 CarbonylContact O-C 3.56Å; A464-H536 VanDerWaalsContact O-C 3.23Å; A464-H536 VanDerWaalsContact O-CA 3.27Å; A464-H536 WeakPolarHBondContact O-CA 3.49Å; A464-H536 WeakPolarHBondContact O-CB 3.11Å; A464-H536 PolarHBondContact O-ND1 2.65Å; G465-H536 PolarHBondContact O-CE1 2.76Å; G465-H536 PolarHBondContact O-ND1 3.3Å | ||
| 537 | E | 66.4 | Low | 61.9 | Low | 94 Ų | 94 | 36.5 Ų | 36.5 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | trans | -136.6 | -76.4 | -173.2 | -120.4 | -149.9 | 128.4 | 0 | 0 | 126 | T429 A464 | T429-E537 WeakPolarHBondContact CG2-O 3.48Å; A464-E537 PolarHBondContact O-N 3.07Å | ||
| 538 | R | 40.8 | Very low | 60.6 | Low | 149 Ų | 149 | 37.3 Ų | 37.3 | 56% | 0.562 | 19% | 0.193 | S | C | * | . | trans | -139.6 | -176.1 | -161.2 | -44.8 | 173.2 | -165.5 | 141 | 12.5 | 117.1 | N463 | N463-R538 CarbonylContact C-O 3.6Å; N463-R538 CarbonylContact O-C 3.58Å; N463-R538 VanDerWaalsContact O-CA 3.3Å; N463-R538 WeakPolarHBondContact O-CA 3.47Å; N463-R538 VanDerWaalsContact O-CB 3.23Å; N463-R538 WeakPolarHBondContact O-CB 3.27Å; N463-R538 PolarHBondContact O-N 3.12Å | ||
| 539 | A | 28.3 | Very low | 59 | Low | 28 Ų | 28 | 40.9 Ų | 40.9 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | trans | -171.3 | 166.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S8 N463 | S8-A539 VanDerWaalsContact OG-CB 3.24Å; S8-A539 WeakPolarHBondContact OG-CB 3.38Å; N463-A539 PolarHBondContact ND2-N 3.03Å | ||
| 540 | E | 24.3 | Very low | 57.3 | Low | 70 Ų | 70 | 42.5 Ų | 42.5 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | trans | 161.7 | 167.9 | 148.6 | -90.2 | -69.2 | -176.1 | 0 | 0 | 118 | Y7 K898 | Y7-E540 PolarHBondContact N-OE1 3.25Å; E540-K898 IonicContact OE1-NZ 3.29Å; E540-K898 PolarHBondContact OE1-NZ 2.81Å; E540-K898 WeakPolarHBondContact OE2-CE 3.48Å; E540-K898 IonicContact OE2-NZ 3.98Å; E540-K898 PolarHBondContact OE2-NZ 3.16Å | ||
| 541 | V | 29.1 | Very low | 55.7 | Low | 21 Ų | 21 | 42.5 Ų | 42.5 | 13% | 0.127 | 22% | 0.22 | C | C | . | . | trans | -160.2 | 175.2 | -179.6 | 117.4 | 0 | 0 | 0 | 0 | 118.7 | P9 S897 K898 | P9-V541 HydrophobicContact CB-CB 3.75Å; P9-V541 HydrophobicContact CB-CG1 4.08Å; V541-S897 WeakPolarHBondContact CG1-OG 3.44Å; V541-K898 WeakPolarHBondContact O-CB 3.17Å; V541-K898 WeakPolarHBondContact O-CD 3.48Å; V541-K898 WeakPolarHBondContact O-CG 3.5Å | ||
| 542 | F | 25.7 | Very low | 53.9 | Low | 72 Ų | 72 | 44.9 Ų | 44.9 | 32% | 0.316 | 23% | 0.232 | S | C | . | . | trans | -145.4 | 177 | -160.8 | -41.2 | -100.9 | 0 | 0 | 0 | 119.8 | Y894 R895 I896 S897 K898 | F542-Y894 HydrophobicContact CB-CD1 4.32Å; F542-Y894 HydrophobicContact CB-CD2 3.12Å; F542-Y894 HydrophobicContact CB-CE2 3.7Å; F542-Y894 HydrophobicContact CB-CG 3.45Å; F542-Y894 VanDerWaalsContact CB-CG 3.45Å; F542-Y894 HydrophobicContact CD1-CD1 4.08Å; F542-Y894 AromaticContact CD1-CD2 3.97Å; F542-Y894 HydrophobicContact CD1-CD2 3.97Å; F542-Y894 AromaticContact CD1-CE1 4Å; F542-Y894 HydrophobicContact CD1-CE1 4Å; F542-Y894 AromaticContact CD1-CE2 3.84Å; F542-Y894 HydrophobicContact CD1-CE2 3.84Å; F542-Y894 HydrophobicContact CD1-CG 4.05Å; F542-Y894 AromaticContact CD1-CZ 3.85Å; F542-Y894 AromaticContact CD2-CD1 3.98Å; F542-Y894 HydrophobicContact CD2-CD1 3.98Å; F542-Y894 HydrophobicContact CD2-CD2 4.29Å; F542-Y894 AromaticContact CD2-CG 3.74Å; F542-Y894 HydrophobicContact CD2-CG 3.74Å; F542-Y894 HydrophobicContact CE1-CD1 4.36Å; F542-Y894 HydrophobicContact CE1-CE1 4.16Å; F542-Y894 HydrophobicContact CE2-CD1 4.29Å; F542-Y894 HydrophobicContact CE2-CG 4.49Å; F542-Y894 AromaticContact CG-CD1 3.88Å; F542-Y894 HydrophobicContact CG-CD1 3.88Å; F542-Y894 AromaticContact CG-CD2 3.58Å; F542-Y894 HydrophobicContact CG-CD2 3.58Å; F542-Y894 HydrophobicContact CG-CE1 4.27Å; F542-Y894 AromaticContact CG-CE2 3.95Å; F542-Y894 HydrophobicContact CG-CE2 3.95Å; F542-Y894 AromaticContact CG-CG 3.49Å; F542-Y894 HydrophobicContact CG-CG 3.49Å; F542-Y894 VanDerWaalsContact CG-CG 3.49Å; F542-Y894 HydrophobicContact CZ-CD1 4.47Å; F542-R895 CarbonylContact O-C 3.59Å; F542-R895 PolarHBondContact O-N 2.87Å; F542-R895 VanDerWaalsContact O-O 3.09Å; F542-I896 CarbonylContact O-C 3.52Å; F542-I896 WeakPolarHBondContact O-CA 3.47Å; F542-I896 PolarHBondContact O-N 2.88Å; F542-I896 VanDerWaalsContact O-O 3.11Å; F542-S897 VanDerWaalsContact C-OG 3.23Å; F542-S897 WeakPolarHBondContact CA-OG 3.34Å; F542-S897 PolarHBondContact N-OG 2.03Å; F542-S897 VanDerWaalsContact N-OG 3.11Å; F542-S897 PolarHBondContact O-N 2.95Å; F542-S897 VanDerWaalsContact O-N 3.13Å; F542-S897 PolarHBondContact O-OG 3.21Å; F542-K898 CarbonylContact C-O 3.53Å; F542-K898 VanDerWaalsContact CA-N 3.35Å; F542-K898 WeakPolarHBondContact CA-O 3.42Å; F542-K898 WeakPolarHBondContact CB-O 3.33Å | ||
| 543 | T | 29.5 | Very low | 52.2 | Low | 34 Ų | 34 | 51.1 Ų | 51.1 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | trans | -86.4 | 161.8 | -158.2 | 23.4 | 0 | 0 | 0 | 0 | 127.3 | I896 S897 K898 R899 | T543-I896 VanDerWaalsContact C-CA 3.41Å; T543-I896 PolarHBondContact O-N 2.94Å; T543-S897 WeakPolarHBondContact CG2-O 3.33Å; T543-K898 PolarHBondContact N-O 2.92Å; T543-K898 PolarHBondContact OG1-O 3.25Å; T543-R899 PolarHBondContact OG1-N 3.31Å; T543-R899 VanDerWaalsContact OG1-N 3.07Å | ||
| 544 | A | 34 | Very low | 50.6 | Low | 27 Ų | 27 | 51.4 Ų | 51.4 | 22% | 0.223 | 26% | 0.262 | C | S | . | . | trans | 68.4 | 169.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | R878 I896 | A544-R878 VanDerWaalsContact CB-NH1 3.34Å; A544-I896 VanDerWaalsContact N-CA 3.34Å; A544-I896 WeakPolarHBondContact O-CG1 3.26Å | ||
| 545 | M | 41.9 | Very low | 49.1 | Very low | 86 Ų | 86 | 51.9 Ų | 51.9 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | cis | 173.7 | 146.6 | -32.8 | -174.2 | 178.9 | -166.1 | 0 | 0 | 112.2 | D650 K919 | M545-D650 WeakPolarHBondContact CG-OD1 3.24Å; M545-K919 WeakPolarHBondContact O-CE 3.49Å; M545-K919 PolarHBondContact O-NZ 3.13Å | ||
| 546 | A | 48 | Very low | 47.8 | Very low | 45 Ų | 45 | 55.8 Ų | 55.8 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | trans | -172.7 | -36.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | V548 K919 | A546-V548 PolarHBondContact O-N 2.88Å; A546-V548 VanDerWaalsContact O-N 3.14Å; A546-K919 HydrophobicContact CB-CD 4.4Å | ||
| 547 | D | 52.7 | Low | 47.2 | Very low | 45 Ų | 45 | 58.2 Ų | 58.2 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | trans | -93.4 | 26.6 | -133.7 | -63.1 | -86.3 | 0 | 0 | 0 | 117.9 | K644 | D547-K644 HydrophobicContact CB-CB 3.81Å; D547-K644 HydrophobicContact CB-CG 4.04Å; D547-K644 IonicContact OD1-NZ 3.9Å; D547-K644 PolarHBondContact OD1-NZ 3.03Å; D547-K644 IonicContact OD2-NZ 2.7Å; D547-K644 PolarHBondContact OD2-NZ 3.46Å | ||
| 548 | V | 54.3 | Low | 47.2 | Very low | 46 Ų | 46 | 53.9 Ų | 53.9 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | trans | -73 | -41.1 | -162.4 | 179 | 0 | 0 | 0 | 0 | 114.9 | V93 A546 N550 L551 | V93-V548 HydrophobicContact CG2-CG1 4.3Å; V93-V548 HydrophobicContact CG2-CG2 4.49Å; A546-V548 PolarHBondContact O-N 2.88Å; A546-V548 VanDerWaalsContact O-N 3.14Å; V548-N550 PolarHBondContact O-N 2.87Å; V548-N550 VanDerWaalsContact O-N 3.1Å; V548-L551 HydrophobicContact CB-CD1 4.36Å; V548-L551 HydrophobicContact CG1-CD1 4.14Å; V548-L551 VanDerWaalsContact O-CB 3.25Å; V548-L551 WeakPolarHBondContact O-CB 3.29Å; V548-L551 VanDerWaalsContact O-CG 3.3Å; V548-L551 WeakPolarHBondContact O-CG 3.37Å; V548-L551 PolarHBondContact O-N 2.88Å | ||
| 549 | E | 53.2 | Low | 48.4 | Very low | 78 Ų | 78 | 47.1 Ų | 47.1 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -35.7 | -172 | -67.8 | 172.5 | 155.8 | 0 | 0 | 113.5 | L551 Y873 | E549-L551 VanDerWaalsContact C-N 3.32Å; E549-L551 PolarHBondContact O-N 3.41Å; E549-Y873 VanDerWaalsContact OE2-CE2 3.24Å; E549-Y873 WeakPolarHBondContact OE2-CE2 3.29Å; E549-Y873 PolarHBondContact OE2-OH 2.88Å |
| 550 | N | 54.4 | Low | 50.4 | Low | 48 Ų | 48 | 49.7 Ų | 49.7 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12.8 | -175.7 | -63.3 | -56.4 | 0 | 0 | 0 | 113.3 | V548 I552 A642 A643 Y873 | V548-N550 PolarHBondContact O-N 2.87Å; V548-N550 VanDerWaalsContact O-N 3.1Å; N550-I552 PolarHBondContact O-N 2.66Å; N550-A642 HydrophobicContact CB-CB 4.28Å; N550-A642 PolarHBondContact ND2-O 2.84Å; N550-A643 HydrophobicContact CB-CB 3.67Å; N550-A643 WeakPolarHBondContact O-CB 3.5Å; N550-Y873 PolarHBondContact ND2-OH 3.29Å |
| 551 | L | 57.1 | Low | 52.6 | Low | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -59.3 | -40.1 | -168.4 | -76.3 | 175.9 | 0 | 0 | 0 | 114.6 | L96 V548 E549 H553 T554 A643 K644 P646 | L96-L551 HydrophobicContact CD1-CB 3.72Å; L96-L551 HydrophobicContact CD1-CD1 3.99Å; L96-L551 HydrophobicContact CD1-CD2 4.48Å; L96-L551 HydrophobicContact CD1-CG 4.29Å; V548-L551 HydrophobicContact CB-CD1 4.36Å; V548-L551 HydrophobicContact CG1-CD1 4.14Å; V548-L551 VanDerWaalsContact O-CB 3.25Å; V548-L551 WeakPolarHBondContact O-CB 3.29Å; V548-L551 VanDerWaalsContact O-CG 3.3Å; V548-L551 WeakPolarHBondContact O-CG 3.37Å; V548-L551 PolarHBondContact O-N 2.88Å; E549-L551 VanDerWaalsContact C-N 3.32Å; E549-L551 PolarHBondContact O-N 3.41Å; L551-H553 VanDerWaalsContact C-N 3.26Å; L551-H553 PolarHBondContact O-N 3.34Å; L551-H553 VanDerWaalsContact O-N 3.17Å; L551-T554 WeakPolarHBondContact O-CB 3.15Å; L551-T554 PolarHBondContact O-N 3.45Å; L551-T554 PolarHBondContact O-OG1 2.91Å; L551-A643 HydrophobicContact CD2-CB 4.35Å; L551-K644 VanDerWaalsContact CD2-O 3.31Å; L551-K644 WeakPolarHBondContact CD2-O 3.37Å; L551-P646 HydrophobicContact CD1-CG 4.34Å |
| 552 | I | 54.9 | Low | 54.6 | Low | 49 Ų | 49 | 45.7 Ų | 45.7 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -59.1 | -33.8 | -168.2 | -66.8 | 173.9 | 0 | 0 | 0 | 112.7 | I83 L92 N550 T554 | I83-I552 HydrophobicContact CD1-CD1 3.91Å; I83-I552 HydrophobicContact CG1-CD1 3.63Å; L92-I552 HydrophobicContact CD2-CD1 3.94Å; L92-I552 HydrophobicContact CD2-CG1 3.73Å; N550-I552 PolarHBondContact O-N 2.66Å; I552-T554 VanDerWaalsContact C-N 3.26Å; I552-T554 PolarHBondContact O-N 2.84Å |
| 553 | H | 56.8 | Low | 57 | Low | 147 Ų | 147 | 46.3 Ų | 46.3 | 68% | 0.681 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -72.2 | -19.9 | 178.8 | -64.4 | -57.8 | 0 | 0 | 0 | 113.6 | L551 | L551-H553 VanDerWaalsContact C-N 3.26Å; L551-H553 PolarHBondContact O-N 3.34Å; L551-H553 VanDerWaalsContact O-N 3.17Å |
| 554 | T | 58 | Low | 59.2 | Low | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -28.1 | -170.4 | -19.4 | 0 | 0 | 0 | 0 | 113.3 | L551 I552 Q556 M557 A643 F645 | L551-T554 WeakPolarHBondContact O-CB 3.15Å; L551-T554 PolarHBondContact O-N 3.45Å; L551-T554 PolarHBondContact O-OG1 2.91Å; I552-T554 VanDerWaalsContact C-N 3.26Å; I552-T554 PolarHBondContact O-N 2.84Å; T554-Q556 VanDerWaalsContact C-N 3.35Å; T554-Q556 PolarHBondContact O-N 3.06Å; T554-M557 HydrophobicContact CG2-CE 3.9Å; T554-M557 PolarHBondContact O-N 3.24Å; T554-A643 VanDerWaalsContact OG1-CB 3.31Å; T554-A643 WeakPolarHBondContact OG1-CB 3.41Å; T554-F645 HydrophobicContact CG2-CD2 4.49Å; T554-F645 HydrophobicContact CG2-CE2 3.48Å; T554-F645 VanDerWaalsContact CG2-CE2 3.48Å; T554-F645 HydrophobicContact CG2-CZ 3.86Å |
| 555 | E | 60.6 | Low | 61.3 | Low | 18 Ų | 18 | 49.9 Ų | 49.9 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | -175.9 | -175.8 | 161.9 | -124 | 0 | 0 | 112.9 | Y68 L96 M557 V558 | Y68-E555 HydrophobicContact CD1-CG 3.81Å; Y68-E555 HydrophobicContact CE1-CG 3.85Å; Y68-E555 WeakPolarHBondContact CE1-OE1 3.39Å; L96-E555 HydrophobicContact CD2-CB 4.09Å; L96-E555 HydrophobicContact CD2-CG 4.3Å; E555-M557 PolarHBondContact O-N 2.83Å; E555-M557 VanDerWaalsContact O-N 3.16Å; E555-V558 WeakPolarHBondContact O-CB 3.27Å; E555-V558 PolarHBondContact O-N 2.87Å |
| 556 | Q | 58.3 | Low | 63 | Low | 86 Ų | 86 | 46.2 Ų | 46.2 | 40% | 0.402 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.4 | -33.9 | -179.4 | -52.6 | -165.4 | 23.5 | 0 | 0 | 112.6 | K72 T554 V558 | K72-Q556 HydrophobicContact CD-CG 4.14Å; K72-Q556 VanDerWaalsContact NZ-CD 3.32Å; T554-Q556 VanDerWaalsContact C-N 3.35Å; T554-Q556 PolarHBondContact O-N 3.06Å; Q556-V558 VanDerWaalsContact C-N 3.29Å; Q556-V558 PolarHBondContact O-N 2.73Å |
| 557 | M | 63 | Low | 64.4 | Low | 70 Ų | 70 | 51.4 Ų | 51.4 | 35% | 0.345 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.8 | -20.4 | -178.4 | -57.3 | -165.2 | -59.2 | 0 | 0 | 112.9 | T554 E555 V561 M637 | T554-M557 HydrophobicContact CG2-CE 3.9Å; T554-M557 PolarHBondContact O-N 3.24Å; E555-M557 PolarHBondContact O-N 2.83Å; E555-M557 VanDerWaalsContact O-N 3.16Å; M557-V561 WeakPolarHBondContact O-CG2 3.48Å; M557-M637 HydrophobicContact CB-SD 4.06Å; M557-M637 HydrophobicContact CE-CB 3.84Å; M557-M637 HydrophobicContact CE-CG 3.85Å; M557-M637 HydrophobicContact CE-SD 3.97Å; M557-M637 HydrophobicContact SD-CG 4.45Å; M557-M637 HydrophobicContact SD-SD 4.29Å |
| 558 | V | 65.8 | Low | 65.4 | Low | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.9 | -44.2 | 179.3 | -176 | 0 | 0 | 0 | 0 | 110.3 | Y68 W100 A103 E555 Q556 D560 V561 I562 F645 | Y68-V558 HydrophobicContact CE2-CG1 4.12Å; W100-V558 HydrophobicContact CE3-CG2 4.45Å; W100-V558 HydrophobicContact CZ3-CG1 4.39Å; W100-V558 HydrophobicContact CZ3-CG2 4.47Å; A103-V558 HydrophobicContact CB-CG1 4.34Å; E555-V558 WeakPolarHBondContact O-CB 3.27Å; E555-V558 PolarHBondContact O-N 2.87Å; Q556-V558 VanDerWaalsContact C-N 3.29Å; Q556-V558 PolarHBondContact O-N 2.73Å; V558-D560 PolarHBondContact O-N 3.33Å; V558-V561 PolarHBondContact O-N 3.05Å; V558-V561 VanDerWaalsContact O-N 3.16Å; V558-I562 HydrophobicContact CG1-CD1 4.23Å; V558-I562 WeakPolarHBondContact O-CG1 3.13Å; V558-I562 PolarHBondContact O-N 3.27Å; V558-I562 VanDerWaalsContact O-N 3.16Å; V558-F645 HydrophobicContact CG2-CZ 4.42Å |
| 559 | A | 67.4 | Low | 66.3 | Low | 6 Ų | 6 | 52.1 Ų | 52.1 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -47.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K69 V561 I562 E563 | K69-A559 HydrophobicContact CG-CB 4.43Å; A559-V561 PolarHBondContact O-N 3.42Å; A559-V561 VanDerWaalsContact O-N 3.13Å; A559-I562 PolarHBondContact O-N 3.39Å; A559-I562 VanDerWaalsContact O-N 3.15Å; A559-E563 PolarHBondContact O-N 3.4Å |
| 560 | D | 68.8 | Low | 67.5 | Low | 83 Ų | 83 | 51.7 Ų | 51.7 | 44% | 0.444 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68 | -11 | -179.3 | -70.4 | -1 | 0 | 0 | 0 | 113.6 | V558 R564 | V558-D560 PolarHBondContact O-N 3.33Å; D560-R564 VanDerWaalsContact O-CZ 3.3Å; D560-R564 PolarHBondContact O-NE 2.73Å; D560-R564 PolarHBondContact O-NH2 3.48Å |
| 561 | V | 70.4 | Confident | 68.7 | Low | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -94.2 | -34.5 | 173.5 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | M107 M557 V558 A559 E563 Y565 Y630 I634 M637 | M107-V561 HydrophobicContact CE-CG1 3.99Å; M557-V561 WeakPolarHBondContact O-CG2 3.48Å; V558-V561 PolarHBondContact O-N 3.05Å; V558-V561 VanDerWaalsContact O-N 3.16Å; A559-V561 PolarHBondContact O-N 3.42Å; A559-V561 VanDerWaalsContact O-N 3.13Å; V561-E563 VanDerWaalsContact C-N 3.34Å; V561-E563 PolarHBondContact O-N 2.83Å; V561-Y565 WeakPolarHBondContact O-CB 3.18Å; V561-Y565 PolarHBondContact O-N 3.23Å; V561-Y630 HydrophobicContact CG1-CD1 3.84Å; V561-Y630 HydrophobicContact CG1-CG 4.14Å; V561-I634 HydrophobicContact CB-CD1 4.19Å; V561-I634 HydrophobicContact CB-CG1 4.27Å; V561-I634 HydrophobicContact CG1-CD1 3.65Å; V561-I634 HydrophobicContact CG1-CG1 3.92Å; V561-I634 HydrophobicContact CG2-CG1 4.23Å; V561-M637 HydrophobicContact CG2-CE 4.4Å |
| 562 | I | 72.6 | Confident | 69.7 | Low | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 176.6 | -62.9 | 162.5 | 0 | 0 | 0 | 111.4 | L61 Y68 M107 V558 A559 Y565 V566 | L61-I562 HydrophobicContact CB-CG2 4.11Å; L61-I562 HydrophobicContact CD2-CG2 4.15Å; L61-I562 WeakPolarHBondContact O-CG2 3.49Å; Y68-I562 HydrophobicContact CD2-CD1 3.8Å; Y68-I562 HydrophobicContact CE2-CD1 3.82Å; M107-I562 HydrophobicContact CE-CB 4.12Å; M107-I562 HydrophobicContact CE-CG1 3.57Å; V558-I562 HydrophobicContact CG1-CD1 4.23Å; V558-I562 WeakPolarHBondContact O-CG1 3.13Å; V558-I562 PolarHBondContact O-N 3.27Å; V558-I562 VanDerWaalsContact O-N 3.16Å; A559-I562 PolarHBondContact O-N 3.39Å; A559-I562 VanDerWaalsContact O-N 3.15Å; I562-Y565 PolarHBondContact O-N 2.87Å; I562-V566 WeakPolarHBondContact O-CG2 3.37Å; I562-V566 PolarHBondContact O-N 2.84Å |
| 563 | E | 75.9 | Confident | 70.7 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 40% | 0.397 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | -175.5 | -67 | -175.4 | 145 | 0 | 0 | 113.1 | S65 K69 A559 V561 Y565 V566 E567 | S65-E563 WeakPolarHBondContact OG-CG 3.33Å; K69-E563 IonicContact NZ-OE1 3.95Å; K69-E563 PolarHBondContact NZ-OE1 2.99Å; K69-E563 IonicContact NZ-OE2 3Å; K69-E563 PolarHBondContact NZ-OE2 3.35Å; A559-E563 PolarHBondContact O-N 3.4Å; V561-E563 VanDerWaalsContact C-N 3.34Å; V561-E563 PolarHBondContact O-N 2.83Å; E563-Y565 VanDerWaalsContact C-N 3.28Å; E563-Y565 PolarHBondContact O-N 2.8Å; E563-V566 PolarHBondContact O-N 2.87Å; E563-E567 PolarHBondContact O-N 2.85Å |
| 564 | R | 76.4 | Confident | 71.7 | Confident | 135 Ų | 135 | 55.5 Ų | 55.5 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.4 | -31.8 | 179.4 | -77.9 | 178.5 | -81.6 | -175.2 | -9.7 | 113.1 | D560 Y630 | D560-R564 VanDerWaalsContact O-CZ 3.3Å; D560-R564 PolarHBondContact O-NE 2.73Å; D560-R564 PolarHBondContact O-NH2 3.48Å; R564-Y630 HydrophobicContact CB-CE1 3.8Å; R564-Y630 PolarHBondContact O-OH 3.14Å |
| 565 | Y | 76.3 | Confident | 72.6 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 174.2 | 175 | -122.8 | 0 | 0 | 0 | 112.3 | R57 L61 M107 V561 I562 E563 E567 M568 D569 D625 S626 S627 Y630 | R57-Y565 PolarHBondContact NH1-OH 3.18Å; R57-Y565 PolarHBondContact NH2-OH 3.37Å; L61-Y565 HydrophobicContact CD1-CD1 3.96Å; L61-Y565 HydrophobicContact CD1-CE1 3.72Å; M107-Y565 HydrophobicContact CG-CD1 4.16Å; M107-Y565 HydrophobicContact CG-CE1 4.31Å; V561-Y565 WeakPolarHBondContact O-CB 3.18Å; V561-Y565 PolarHBondContact O-N 3.23Å; I562-Y565 PolarHBondContact O-N 2.87Å; E563-Y565 VanDerWaalsContact C-N 3.28Å; E563-Y565 PolarHBondContact O-N 2.8Å; Y565-E567 VanDerWaalsContact C-N 3.34Å; Y565-E567 PolarHBondContact O-N 2.79Å; Y565-M568 PolarHBondContact O-N 2.82Å; Y565-D569 PolarHBondContact O-N 2.77Å; Y565-D625 WeakPolarHBondContact CE2-OD1 3.5Å; Y565-D625 PolarHBondContact OH-OD1 2.9Å; Y565-D625 PolarHBondContact OH-OD2 3.43Å; Y565-D625 VanDerWaalsContact OH-OD2 3.06Å; Y565-S626 WeakPolarHBondContact CD2-OG 3.37Å; Y565-S627 VanDerWaalsContact CE2-CA 3.44Å; Y565-Y630 AromaticContact CD2-CD2 3.7Å; Y565-Y630 HydrophobicContact CD2-CD2 3.7Å; Y565-Y630 HydrophobicContact CD2-CE2 4.19Å; Y565-Y630 HydrophobicContact CG-CD2 4.26Å |
| 566 | V | 77.6 | Confident | 73.3 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -33.4 | -175.3 | 154.9 | 0 | 0 | 0 | 0 | 113.8 | I58 L61 K62 I562 E563 T570 | I58-V566 HydrophobicContact CG2-CG1 4.19Å; L61-V566 HydrophobicContact CB-CG2 3.9Å; L61-V566 HydrophobicContact CD1-CG2 4.37Å; K62-V566 HydrophobicContact CD-CG1 4.25Å; K62-V566 HydrophobicContact CG-CG1 4.01Å; I562-V566 WeakPolarHBondContact O-CG2 3.37Å; I562-V566 PolarHBondContact O-N 2.84Å; E563-V566 PolarHBondContact O-N 2.87Å; V566-T570 PolarHBondContact O-OG1 3.29Å |
| 567 | E | 77.7 | Confident | 74.3 | Confident | 153 Ų | 153 | 61 Ų | 61 | 72% | 0.715 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.5 | -42 | 178.3 | -66.1 | -171 | 150.2 | 0 | 0 | 112.5 | E563 Y565 | E563-E567 PolarHBondContact O-N 2.85Å; Y565-E567 VanDerWaalsContact C-N 3.34Å; Y565-E567 PolarHBondContact O-N 2.79Å |
| 568 | M | 73.5 | Confident | 75.1 | Confident | 104 Ų | 104 | 64.7 Ų | 64.7 | 51% | 0.512 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | -178.6 | -69.2 | -173.7 | 66.7 | 0 | 0 | 112.1 | Y565 T570 K571 Y630 | Y565-M568 PolarHBondContact O-N 2.82Å; M568-T570 VanDerWaalsContact C-N 3.3Å; M568-T570 PolarHBondContact O-N 3.01Å; M568-K571 PolarHBondContact O-N 2.83Å; M568-Y630 HydrophobicContact SD-CE2 3.83Å; M568-Y630 PolarHBondContact SD-OH 2.91Å |
| 569 | D | 74.4 | Confident | 75.7 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -36 | -174.3 | -166.8 | 41.3 | 0 | 0 | 0 | 113 | R57 I58 Y565 K571 R572 | R57-D569 IonicContact CZ-OD2 2.66Å; R57-D569 IonicContact NE-OD2 3.25Å; R57-D569 IonicContact NH2-OD1 3.93Å; R57-D569 PolarHBondContact NH2-OD1 2.83Å; R57-D569 VanDerWaalsContact NH2-OD1 3.11Å; R57-D569 IonicContact NH2-OD2 3.01Å; R57-D569 PolarHBondContact NH2-OD2 3.28Å; I58-D569 HydrophobicContact CD1-CB 4.32Å; I58-D569 WeakPolarHBondContact CD1-OD2 3.3Å; Y565-D569 PolarHBondContact O-N 2.77Å; D569-K571 PolarHBondContact O-N 3.17Å; D569-R572 WeakPolarHBondContact O-CB 3.42Å; D569-R572 PolarHBondContact O-N 3.48Å; D569-R572 VanDerWaalsContact O-N 3.12Å; D569-R572 IonicContact OD1-CZ 3.09Å; D569-R572 IonicContact OD1-NE 2.89Å; D569-R572 PolarHBondContact OD1-NE 3.39Å; D569-R572 IonicContact OD1-NH2 3.99Å; D569-R572 PolarHBondContact OD1-NH2 2.76Å |
| 570 | T | 78.6 | Confident | 75.9 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.8 | -36.9 | 179.6 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | V566 M568 | V566-T570 PolarHBondContact O-OG1 3.29Å; M568-T570 VanDerWaalsContact C-N 3.3Å; M568-T570 PolarHBondContact O-N 3.01Å |
| 571 | K | 78.4 | Confident | 76.2 | Confident | 159 Ų | 159 | 65.9 Ų | 65.9 | 69% | 0.691 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -73.7 | -29.3 | -178.1 | -172.7 | 179.9 | 178.8 | -176 | 0 | 113.3 | M568 D569 L573 | M568-K571 PolarHBondContact O-N 2.83Å; D569-K571 PolarHBondContact O-N 3.17Å; K571-L573 VanDerWaalsContact C-N 3.33Å; K571-L573 PolarHBondContact O-N 3.42Å |
| 572 | R | 78 | Confident | 76.5 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 5% | 0.049 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.7 | -35.5 | -177.4 | -166.2 | 170.8 | 63.3 | 87 | 10 | 111.9 | Y50 D54 D569 E574 Q575 M622 S624 | Y50-R572 PolarHBondContact OH-NH1 2.63Å; Y50-R572 PolarHBondContact OH-NH2 2.91Å; D54-R572 IonicContact OD2-CZ 3.2Å; D54-R572 IonicContact OD2-NH2 3.27Å; D54-R572 PolarHBondContact OD2-NH2 2.7Å; D569-R572 WeakPolarHBondContact O-CB 3.42Å; D569-R572 PolarHBondContact O-N 3.48Å; D569-R572 VanDerWaalsContact O-N 3.12Å; D569-R572 IonicContact OD1-CZ 3.09Å; D569-R572 IonicContact OD1-NE 2.89Å; D569-R572 PolarHBondContact OD1-NE 3.39Å; D569-R572 IonicContact OD1-NH2 3.99Å; D569-R572 PolarHBondContact OD1-NH2 2.76Å; R572-E574 PolarHBondContact O-N 2.85Å; R572-Q575 PolarHBondContact O-N 2.91Å; R572-M622 PolarHBondContact NH1-O 2.95Å; R572-S624 VanDerWaalsContact CD-C 3.46Å; R572-S624 VanDerWaalsContact CD-O 3.26Å; R572-S624 WeakPolarHBondContact CD-O 3.45Å; R572-S624 WeakPolarHBondContact CD-OG 3.41Å; R572-S624 WeakPolarHBondContact CG-OG 3.24Å |
| 573 | L | 75.9 | Confident | 76.3 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70 | -26.1 | -174.4 | -64.8 | 167.1 | 0 | 0 | 0 | 114.3 | Y50 V51 D54 E55 I58 K571 | Y50-L573 HydrophobicContact CE1-CD2 4.44Å; V51-L573 HydrophobicContact CG2-CD2 4.32Å; D54-L573 HydrophobicContact CB-CD1 4.03Å; D54-L573 HydrophobicContact CB-CD2 3.56Å; D54-L573 HydrophobicContact CB-CG 4.37Å; E55-L573 HydrophobicContact CG-CD1 4.2Å; I58-L573 HydrophobicContact CD1-CD1 3.7Å; K571-L573 VanDerWaalsContact C-N 3.33Å; K571-L573 PolarHBondContact O-N 3.42Å |
| 574 | E | 79 | Confident | 75.9 | Confident | 147 Ų | 147 | 74.4 Ų | 74.4 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.4 | -34.2 | 179.7 | -62.2 | -168.5 | 135.9 | 0 | 0 | 112.6 | R572 | R572-E574 PolarHBondContact O-N 2.85Å |
| 575 | Q | 77.1 | Confident | 75.7 | Confident | 120 Ų | 120 | 73 Ų | 73 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -74.6 | -38.5 | -176.5 | -62.1 | -174.9 | -56 | 0 | 0 | 111.9 | R572 K577 K578 L621 | R572-Q575 PolarHBondContact O-N 2.91Å; Q575-K577 VanDerWaalsContact C-N 3.34Å; Q575-K577 PolarHBondContact O-N 2.95Å; Q575-K578 PolarHBondContact O-N 2.82Å; Q575-L621 HydrophobicContact CB-CD1 4.11Å; Q575-L621 HydrophobicContact CB-CD2 3.86Å |
| 576 | L | 74.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 178.5 | -73.5 | 167.9 | 0 | 0 | 0 | 112.4 | I47 Y50 V51 K578 L579 L621 M622 | I47-L576 HydrophobicContact CG2-CB 3.99Å; I47-L576 HydrophobicContact CG2-CD2 4.44Å; I47-L576 WeakPolarHBondContact CG2-O 3.44Å; Y50-L576 HydrophobicContact CD1-CD1 3.75Å; Y50-L576 HydrophobicContact CE1-CD1 3.6Å; V51-L576 HydrophobicContact CG2-CB 3.76Å; V51-L576 HydrophobicContact CG2-CD1 4.33Å; L576-K578 PolarHBondContact O-N 2.93Å; L576-L579 PolarHBondContact O-N 2.8Å; L576-L579 VanDerWaalsContact O-N 3.08Å; L576-L621 HydrophobicContact CD2-CB 4.15Å; L576-L621 HydrophobicContact CD2-CD2 3.76Å; L576-L621 HydrophobicContact CD2-CG 3.74Å; L576-L621 HydrophobicContact CG-CD2 4.05Å; L576-L621 HydrophobicContact CG-CG 4.02Å; L576-M622 HydrophobicContact CD1-CG 4.27Å; L576-M622 HydrophobicContact CD2-CG 3.55Å |
| 577 | K | 78.3 | Confident | 74.9 | Confident | 106 Ų | 106 | 75.1 Ų | 75.1 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -54.6 | -25.8 | 179.3 | -71.9 | 174.3 | -177.9 | 176.2 | 0 | 114 | V51 E55 Q575 | V51-K577 HydrophobicContact CG1-CD 4.13Å; V51-K577 HydrophobicContact CG1-CG 3.83Å; V51-K577 HydrophobicContact CG2-CG 4.3Å; E55-K577 WeakPolarHBondContact OE1-CE 3.4Å; E55-K577 IonicContact OE1-NZ 3.64Å; E55-K577 PolarHBondContact OE1-NZ 2.81Å; Q575-K577 VanDerWaalsContact C-N 3.34Å; Q575-K577 PolarHBondContact O-N 2.95Å |
| 578 | K | 80.4 | Confident | 74.3 | Confident | 149 Ų | 149 | 73.3 Ų | 73.3 | 65% | 0.648 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -75 | -45.7 | 177.3 | -172.3 | -168.9 | 170 | -157.4 | 0 | 112.2 | Q575 L576 A580 E582 | Q575-K578 PolarHBondContact O-N 2.82Å; L576-K578 PolarHBondContact O-N 2.93Å; K578-A580 PolarHBondContact O-N 3.26Å; K578-E582 WeakPolarHBondContact CE-OE1 3.36Å; K578-E582 IonicContact NZ-OE1 3.54Å |
| 579 | L | 77.3 | Confident | 74 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71 | -30.1 | -165.8 | -166.9 | 56.4 | 0 | 0 | 0 | 113 | L576 N581 E582 Y617 V618 | L576-L579 PolarHBondContact O-N 2.8Å; L576-L579 VanDerWaalsContact O-N 3.08Å; L579-N581 VanDerWaalsContact C-N 3.27Å; L579-N581 PolarHBondContact O-N 3.07Å; L579-E582 PolarHBondContact O-N 2.92Å; L579-Y617 HydrophobicContact CD1-CD1 4.1Å; L579-Y617 HydrophobicContact CD1-CE1 3.92Å; L579-Y617 HydrophobicContact CD2-CD1 3.91Å; L579-Y617 HydrophobicContact CD2-CE1 4Å; L579-V618 HydrophobicContact CD2-CB 4.11Å; L579-V618 HydrophobicContact CD2-CG1 4.41Å; L579-V618 HydrophobicContact CD2-CG2 3.62Å; L579-V618 HydrophobicContact CG-CG2 4.15Å |
| 580 | A | 73.3 | Confident | 73.5 | Confident | 4 Ų | 4 | 74 Ų | 74 | 3% | 0.033 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.4 | -38.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | I47 K578 | I47-A580 HydrophobicContact CB-CB 3.78Å; I47-A580 HydrophobicContact CD1-CB 4.36Å; I47-A580 HydrophobicContact CG2-CB 3.81Å; K578-A580 PolarHBondContact O-N 3.26Å |
| 581 | N | 75.3 | Confident | 72.6 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -75.9 | -26.6 | -173.4 | -173.7 | 45.7 | 0 | 0 | 0 | 113 | L579 R584 | L579-N581 VanDerWaalsContact C-N 3.27Å; L579-N581 PolarHBondContact O-N 3.07Å; N581-R584 PolarHBondContact OD1-NH2 3.08Å |
| 582 | E | 75.6 | Confident | 71.9 | Confident | 103 Ų | 103 | 69.5 Ų | 69.5 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74.6 | -47.6 | -178.4 | -65.7 | 169 | -178.3 | 0 | 0 | 110.2 | K578 L579 R584 V585 | K578-E582 WeakPolarHBondContact CE-OE1 3.36Å; K578-E582 IonicContact NZ-OE1 3.54Å; L579-E582 PolarHBondContact O-N 2.92Å; E582-R584 VanDerWaalsContact C-N 3.3Å; E582-R584 PolarHBondContact O-N 3.04Å; E582-V585 PolarHBondContact O-N 2.92Å |
| 583 | Y | 69.2 | Low | 71.2 | Confident | 19 Ų | 19 | 77.6 Ų | 77.6 | 8% | 0.075 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -52.5 | -42.9 | 177.1 | -111.2 | -90.5 | 0 | 0 | 0 | 114.2 | V43 V585 S586 E614 W615 V618 | V43-Y583 HydrophobicContact CB-CD1 3.73Å; V43-Y583 HydrophobicContact CB-CE1 3.77Å; V43-Y583 HydrophobicContact CB-CG 4.41Å; V43-Y583 HydrophobicContact CG1-CD1 3.76Å; V43-Y583 HydrophobicContact CG1-CD2 4.4Å; V43-Y583 HydrophobicContact CG1-CE1 3.53Å; V43-Y583 HydrophobicContact CG1-CE2 4.21Å; V43-Y583 HydrophobicContact CG1-CG 4.16Å; V43-Y583 HydrophobicContact CG2-CD1 4.43Å; V43-Y583 HydrophobicContact CG2-CE1 4.1Å; Y583-V585 PolarHBondContact O-N 2.59Å; Y583-V585 VanDerWaalsContact O-N 3.11Å; Y583-S586 PolarHBondContact O-N 3.49Å; Y583-E614 HydrophobicContact CE1-CB 4.42Å; Y583-E614 HydrophobicContact CE2-CB 4.23Å; Y583-E614 WeakPolarHBondContact OH-CB 3.47Å; Y583-E614 PolarHBondContact OH-O 3.35Å; Y583-W615 WeakPolarHBondContact OH-CA 3.37Å; Y583-W615 PolarHBondContact OH-N 3.49Å; Y583-W615 VanDerWaalsContact OH-N 3.14Å; Y583-V618 HydrophobicContact CD2-CG2 4.18Å; Y583-V618 HydrophobicContact CE2-CG2 3.37Å |
| 584 | R | 67.3 | Low | 70.5 | Confident | 149 Ų | 149 | 79.3 Ų | 79.3 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.8 | -27.1 | -174.5 | -173.4 | 175.6 | 59.7 | 82.6 | 3.2 | 113.5 | A44 N581 E582 T588 | A44-R584 HydrophobicContact CB-CB 3.97Å; A44-R584 HydrophobicContact CB-CG 4.48Å; N581-R584 PolarHBondContact OD1-NH2 3.08Å; E582-R584 VanDerWaalsContact C-N 3.3Å; E582-R584 PolarHBondContact O-N 3.04Å; R584-T588 PolarHBondContact O-OG1 3.44Å |
| 585 | V | 72.3 | Confident | 69.7 | Low | 106 Ų | 106 | 73.5 Ų | 73.5 | 64% | 0.642 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -80.5 | -44.5 | -178.9 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | E582 Y583 | E582-V585 PolarHBondContact O-N 2.92Å; Y583-V585 PolarHBondContact O-N 2.59Å; Y583-V585 VanDerWaalsContact O-N 3.11Å |
| 586 | S | 69.7 | Low | 69 | Low | 47 Ų | 47 | 73.9 Ų | 73.9 | 33% | 0.329 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -56.6 | -172.3 | -178.5 | 0 | 0 | 0 | 0 | 113.2 | Y583 T588 A589 | Y583-S586 PolarHBondContact O-N 3.49Å; S586-T588 PolarHBondContact O-N 3.39Å; S586-T588 VanDerWaalsContact O-N 3.12Å; S586-A589 PolarHBondContact O-N 3.08Å |
| 587 | K | 65.9 | Low | 68.7 | Low | 7 Ų | 7 | 76.9 Ų | 76.9 | 3% | 0.03 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12.9 | -167 | -59.3 | -55.7 | -171.3 | -166.1 | 0 | 115.2 | S40 A589 E590 L591 E614 | S40-K587 WeakPolarHBondContact O-CG 3.35Å; K587-A589 PolarHBondContact O-N 3.5Å; K587-E590 VanDerWaalsContact CD-OE2 3.31Å; K587-E590 WeakPolarHBondContact CD-OE2 3.2Å; K587-E590 IonicContact NZ-OE2 2.76Å; K587-E590 PolarHBondContact NZ-OE2 2.92Å; K587-E590 PolarHBondContact O-N 3.21Å; K587-L591 WeakPolarHBondContact O-CD1 3.4Å; K587-E614 WeakPolarHBondContact CE-OE2 3.49Å; K587-E614 VanDerWaalsContact NZ-CD 3.31Å; K587-E614 IonicContact NZ-OE1 3.72Å; K587-E614 PolarHBondContact NZ-OE1 3.02Å; K587-E614 IonicContact NZ-OE2 2.92Å; K587-E614 PolarHBondContact NZ-OE2 2.95Å |
| 588 | T | 66.3 | Low | 68.2 | Low | 115 Ų | 115 | 72 Ų | 72 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.6 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | R584 S586 | R584-T588 PolarHBondContact O-OG1 3.44Å; S586-T588 PolarHBondContact O-N 3.39Å; S586-T588 VanDerWaalsContact O-N 3.12Å |
| 589 | A | 67.8 | Low | 67.5 | Low | 67 Ų | 67 | 68.4 Ų | 68.4 | 55% | 0.554 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -37.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S586 K587 S592 | S586-A589 PolarHBondContact O-N 3.08Å; K587-A589 PolarHBondContact O-N 3.5Å; A589-S592 PolarHBondContact O-OG 2.81Å |
| 590 | E | 62.5 | Low | 67 | Low | 54 Ų | 54 | 68 Ų | 68 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -72.3 | -36.6 | -165.6 | -67.4 | 178.3 | 151.4 | 0 | 0 | 113 | K587 S592 K610 | K587-E590 VanDerWaalsContact CD-OE2 3.31Å; K587-E590 WeakPolarHBondContact CD-OE2 3.2Å; K587-E590 IonicContact NZ-OE2 2.76Å; K587-E590 PolarHBondContact NZ-OE2 2.92Å; K587-E590 PolarHBondContact O-N 3.21Å; E590-S592 PolarHBondContact O-N 3.35Å; E590-K610 IonicContact OE1-NZ 3.34Å; E590-K610 PolarHBondContact OE1-NZ 3.21Å |
| 591 | L | 59.6 | Low | 66.5 | Low | 32 Ų | 32 | 67.8 Ų | 67.8 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -69.7 | 2.8 | -178.4 | -75.6 | 118 | 0 | 0 | 0 | 115.4 | L37 R41 K587 R593 | L37-L591 HydrophobicContact CB-CD2 3.96Å; L37-L591 HydrophobicContact CD2-CD2 3.92Å; L37-L591 HydrophobicContact CD2-CG 3.92Å; R41-L591 HydrophobicContact CG-CD1 3.56Å; K587-L591 WeakPolarHBondContact O-CD1 3.4Å; L591-R593 PolarHBondContact O-N 3.23Å |
| 592 | S | 63.8 | Low | 66.6 | Low | 101 Ų | 101 | 63.3 Ų | 63.3 | 71% | 0.706 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -71.2 | -10 | 174 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | A589 E590 | A589-S592 PolarHBondContact O-OG 2.81Å; E590-S592 PolarHBondContact O-N 3.35Å |
| 593 | R | 64.2 | Low | 66.4 | Low | 183 Ų | 183 | 58.6 Ų | 58.6 | 69% | 0.691 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -105.5 | -17.5 | -168 | -61.4 | -178.2 | -178.9 | 170.2 | 0.7 | 116.5 | L591 | L591-R593 PolarHBondContact O-N 3.23Š|
| 594 | G | 61 | Low | 66.3 | Low | 43 Ų | 43 | 57.8 Ų | 57.8 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | trans | 80.8 | 160.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 595 | S | 61 | Low | 66.3 | Low | 26 Ų | 26 | 50.8 Ų | 50.8 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -84.8 | -31.4 | -166.4 | 55.8 | 0 | 0 | 0 | 0 | 115.8 | D34 H597 L598 | D34-S595 WeakPolarHBondContact OD1-CB 3.43Å; D34-S595 PolarHBondContact OD1-OG 3.5Å; S595-H597 PolarHBondContact O-N 2.91Å; S595-L598 WeakPolarHBondContact O-CB 3.4Å; S595-L598 PolarHBondContact O-N 3.42Å |
| 596 | N | 64.1 | Low | 66.3 | Low | 128 Ų | 128 | 50.9 Ų | 50.9 | 68% | 0.684 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -53.5 | -29.2 | -176.6 | -76.9 | -11.2 | 0 | 0 | 0 | 113.8 | L598 Y599 | N596-L598 PolarHBondContact O-N 3.24Å; N596-Y599 WeakPolarHBondContact O-CD2 3.5Å; N596-Y599 PolarHBondContact O-N 2.92Å |
| 597 | H | 68.1 | Low | 66.4 | Low | 63 Ų | 63 | 50 Ų | 50 | 29% | 0.292 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -62.2 | -28.8 | 177.6 | 121.6 | 101.6 | 0 | 0 | 0 | 112.3 | H185 S595 Y599 N600 N603 | H185-H597 AromaticContact CD2-CE1 3.49Å; H185-H597 PolarHBondContact CD2-CE1 2.99Å; H185-H597 VanDerWaalsContact CD2-CE1 3.49Å; H185-H597 AromaticContact CD2-ND1 3.51Å; H185-H597 AromaticContact NE2-CE1 3.51Å; H185-H597 AromaticContact NE2-ND1 3.6Å; S595-H597 PolarHBondContact O-N 2.91Å; H597-Y599 VanDerWaalsContact C-N 3.25Å; H597-Y599 PolarHBondContact O-N 2.85Å; H597-N600 PolarHBondContact O-N 3.38Å; H597-N603 VanDerWaalsContact ND1-CG 3.29Å; H597-N603 PolarHBondContact ND1-ND2 3.38Å; H597-N603 WeakPolarHBondContact O-CB 3.14Å; H597-N603 PolarHBondContact O-ND2 2.86Å |
| 598 | L | 67.6 | Low | 66.5 | Low | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -73.3 | -9.4 | 179.5 | -58.9 | 177.3 | 0 | 0 | 0 | 114 | I33 L37 S595 N596 N600 F607 | I33-L598 HydrophobicContact CD1-CB 3.51Å; I33-L598 WeakPolarHBondContact CD1-O 3.3Å; I33-L598 HydrophobicContact CG1-CB 3.8Å; I33-L598 HydrophobicContact CG1-CD1 3.99Å; L37-L598 HydrophobicContact CD1-CD1 3.68Å; L37-L598 HydrophobicContact CG-CD1 4.03Å; S595-L598 WeakPolarHBondContact O-CB 3.4Å; S595-L598 PolarHBondContact O-N 3.42Å; N596-L598 PolarHBondContact O-N 3.24Å; L598-N600 PolarHBondContact O-N 2.94Å; L598-F607 HydrophobicContact CD1-CD1 3.84Å; L598-F607 HydrophobicContact CD1-CE1 4.08Å; L598-F607 HydrophobicContact CD2-CB 3.87Å; L598-F607 HydrophobicContact CD2-CD1 4.12Å; L598-F607 HydrophobicContact CD2-CG 4.16Å |
| 599 | Y | 65 | Low | 66.6 | Low | 73 Ų | 73 | 45.1 Ų | 45.1 | 29% | 0.286 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -73.2 | -12.3 | 171.4 | -66.7 | -60.1 | 0 | 0 | 0 | 113.3 | M30 I33 N596 H597 | M30-Y599 HydrophobicContact CE-CD1 3.7Å; M30-Y599 HydrophobicContact CE-CE1 4.28Å; M30-Y599 HydrophobicContact SD-CD1 3.85Å; M30-Y599 HydrophobicContact SD-CE1 4.45Å; I33-Y599 HydrophobicContact CG2-CE1 3.74Å; N596-Y599 WeakPolarHBondContact O-CD2 3.5Å; N596-Y599 PolarHBondContact O-N 2.92Å; H597-Y599 VanDerWaalsContact C-N 3.25Å; H597-Y599 PolarHBondContact O-N 2.85Å |
| 600 | N | 67.8 | Low | 66.7 | Low | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -77.2 | 132.5 | 166.9 | 176.7 | -75.7 | 0 | 0 | 0 | 109.9 | G176 T181 G184 H597 L598 I602 N603 A604 | G176-N600 PolarHBondContact O-ND2 2.76Å; G176-N600 VanDerWaalsContact O-ND2 3.1Å; T181-N600 PolarHBondContact OG1-ND2 2.83Å; G184-N600 WeakPolarHBondContact CA-ND2 3.46Å; H597-N600 PolarHBondContact O-N 3.38Å; L598-N600 PolarHBondContact O-N 2.94Å; N600-I602 PolarHBondContact O-N 3.48Å; N600-I602 VanDerWaalsContact O-N 3.1Å; N600-I602 WeakPolarHBondContact OD1-CB 3.24Å; N600-I602 PolarHBondContact OD1-N 3.33Å; N600-N603 HydrophobicContact CB-CB 4.2Å; N600-N603 PolarHBondContact O-N 2.89Å; N600-N603 PolarHBondContact OD1-N 2.99Å; N600-A604 PolarHBondContact O-N 3.32Å |
| 601 | P | 63.5 | Low | 67 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.6 | -32.4 | -175.9 | -28 | 33.8 | 0 | 0 | 0 | 115.7 | F27 L159 I178 I440 | F27-P601 HydrophobicContact CE2-CB 4.01Å; F27-P601 WeakPolarHBondContact CE2-O 3.25Å; F27-P601 HydrophobicContact CZ-CB 3.96Å; L159-P601 HydrophobicContact CD2-CB 3.69Å; I178-P601 HydrophobicContact CD1-CB 3.77Å; I178-P601 HydrophobicContact CD1-CG 3.65Å; I440-P601 HydrophobicContact CD1-CB 4.38Å; I440-P601 HydrophobicContact CD1-CG 4.09Å; I440-P601 HydrophobicContact CG2-CB 4.1Å; I440-P601 HydrophobicContact CG2-CG 3.91Å |
| 602 | I | 76 | Confident | 67.2 | Low | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -80.7 | -39.8 | -175.8 | -52.7 | -57.3 | 0 | 0 | 0 | 110.9 | L159 M173 I178 H185 L187 N600 A604 F605 R606 | L159-I602 HydrophobicContact CD1-CD1 4.47Å; L159-I602 HydrophobicContact CD2-CD1 4.03Å; M173-I602 VanDerWaalsContact O-CD1 3.3Å; M173-I602 WeakPolarHBondContact O-CD1 3.36Å; M173-I602 VanDerWaalsContact O-CG1 3.29Å; M173-I602 WeakPolarHBondContact O-CG1 3.47Å; I178-I602 HydrophobicContact CD1-CD1 4.17Å; I178-I602 HydrophobicContact CD1-CG1 4.15Å; H185-I602 WeakPolarHBondContact O-CG2 3.4Å; L187-I602 HydrophobicContact CD1-CG2 4.35Å; L187-I602 HydrophobicContact CD2-CG2 3.4Å; L187-I602 VanDerWaalsContact CD2-CG2 3.4Å; L187-I602 HydrophobicContact CG-CG2 3.59Å; N600-I602 PolarHBondContact O-N 3.48Å; N600-I602 VanDerWaalsContact O-N 3.1Å; N600-I602 WeakPolarHBondContact OD1-CB 3.24Å; N600-I602 PolarHBondContact OD1-N 3.33Å; I602-A604 VanDerWaalsContact C-N 3.32Å; I602-A604 PolarHBondContact O-N 2.76Å; I602-F605 PolarHBondContact O-N 3.47Å; I602-R606 PolarHBondContact O-N 3.04Å |
| 603 | N | 72.4 | Confident | 67.4 | Low | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 178.1 | -65.6 | -11.3 | 0 | 0 | 0 | 111.6 | D183 H185 H597 N600 F607 | D183-N603 PolarHBondContact O-ND2 3.31Å; H185-N603 VanDerWaalsContact CB-OD1 3.3Å; H185-N603 WeakPolarHBondContact CB-OD1 3.42Å; H185-N603 PolarHBondContact CD2-OD1 2.85Å; H185-N603 VanDerWaalsContact CD2-OD1 3.27Å; H185-N603 PolarHBondContact N-OD1 2.85Å; H597-N603 VanDerWaalsContact ND1-CG 3.29Å; H597-N603 PolarHBondContact ND1-ND2 3.38Å; H597-N603 WeakPolarHBondContact O-CB 3.14Å; H597-N603 PolarHBondContact O-ND2 2.86Å; N600-N603 HydrophobicContact CB-CB 4.2Å; N600-N603 PolarHBondContact O-N 2.89Å; N600-N603 PolarHBondContact OD1-N 2.99Å; N603-F607 PolarHBondContact O-N 3.28Å |
| 604 | A | 65.7 | Low | 67.6 | Low | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | F27 M155 N600 I602 R606 F607 I608 | F27-A604 HydrophobicContact CD2-CB 4.15Å; F27-A604 HydrophobicContact CE2-CB 4.37Å; M155-A604 HydrophobicContact CE-CB 3.66Å; M155-A604 WeakPolarHBondContact CE-O 2.99Å; N600-A604 PolarHBondContact O-N 3.32Å; I602-A604 VanDerWaalsContact C-N 3.32Å; I602-A604 PolarHBondContact O-N 2.76Å; A604-R606 PolarHBondContact O-N 3.48Å; A604-F607 PolarHBondContact O-N 3.24Å; A604-I608 WeakPolarHBondContact O-CB 3.28Å; A604-I608 PolarHBondContact O-N 3.12Å |
| 605 | F | 67.7 | Low | 67.8 | Low | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.2 | -50.7 | -174.9 | 179 | -113.3 | 0 | 0 | 0 | 112.4 | V152 M155 L187 E191 I195 I602 F607 I608 K609 | V152-F605 HydrophobicContact CG1-CE2 3.69Å; V152-F605 HydrophobicContact CG1-CZ 4.23Å; M155-F605 HydrophobicContact CB-CD2 3.71Å; M155-F605 HydrophobicContact CB-CE2 4.25Å; M155-F605 VanDerWaalsContact CE-CA 3.46Å; M155-F605 HydrophobicContact CE-CB 4.34Å; M155-F605 HydrophobicContact CG-CD2 4.45Å; M155-F605 HydrophobicContact SD-CB 4.5Å; M155-F605 HydrophobicContact SD-CD2 4.05Å; L187-F605 HydrophobicContact CD2-CD1 4.09Å; E191-F605 HydrophobicContact CB-CE1 4.21Å; I195-F605 HydrophobicContact CD1-CE1 4.1Å; I195-F605 HydrophobicContact CD1-CZ 4.32Å; I195-F605 HydrophobicContact CG1-CE1 4.03Å; I195-F605 HydrophobicContact CG1-CE2 4.47Å; I195-F605 HydrophobicContact CG1-CZ 3.79Å; I602-F605 PolarHBondContact O-N 3.47Å; F605-F607 PolarHBondContact O-N 3.2Å; F605-I608 PolarHBondContact O-N 2.66Å; F605-K609 PolarHBondContact O-N 3.01Å |
| 606 | R | 73.2 | Confident | 67.9 | Low | 108 Ų | 108 | 34.9 Ų | 34.9 | 41% | 0.408 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.6 | -42.2 | -179.5 | -179.8 | 158.3 | -167.2 | 158.6 | 4.3 | 113.7 | K186 E191 I602 A604 | K186-R606 PolarHBondContact O-NH1 3.06Å; E191-R606 VanDerWaalsContact OE1-CB 3.28Å; E191-R606 WeakPolarHBondContact OE1-CB 3.49Å; E191-R606 WeakPolarHBondContact OE1-CD 3.37Å; E191-R606 WeakPolarHBondContact OE1-CG 3.28Å; E191-R606 IonicContact OE1-NE 2.89Å; E191-R606 IonicContact OE2-CZ 2.89Å; E191-R606 IonicContact OE2-NE 3.75Å; E191-R606 IonicContact OE2-NH1 3.38Å; E191-R606 PolarHBondContact OE2-NH1 2.77Å; I602-R606 PolarHBondContact O-N 3.04Å; A604-R606 PolarHBondContact O-N 3.48Å |
| 607 | F | 71.6 | Confident | 68.1 | Low | 28 Ų | 28 | 36.1 Ų | 36.1 | 12% | 0.123 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 177.9 | 177.3 | -124.2 | 0 | 0 | 0 | 111.8 | L36 L37 L598 N603 A604 F605 L611 | L36-F607 HydrophobicContact CB-CE1 4.36Å; L36-F607 HydrophobicContact CD2-CD1 4.16Å; L36-F607 HydrophobicContact CD2-CE1 3.68Å; L36-F607 HydrophobicContact CG-CE1 3.96Å; L37-F607 HydrophobicContact CD2-CE2 4.47Å; L37-F607 HydrophobicContact CD2-CZ 4.15Å; L37-F607 HydrophobicContact CG-CE1 4.36Å; L37-F607 HydrophobicContact CG-CZ 4.2Å; L598-F607 HydrophobicContact CD1-CD1 3.84Å; L598-F607 HydrophobicContact CD1-CE1 4.08Å; L598-F607 HydrophobicContact CD2-CB 3.87Å; L598-F607 HydrophobicContact CD2-CD1 4.12Å; L598-F607 HydrophobicContact CD2-CG 4.16Å; N603-F607 PolarHBondContact O-N 3.28Å; A604-F607 PolarHBondContact O-N 3.24Å; F605-F607 PolarHBondContact O-N 3.2Å; F607-L611 HydrophobicContact CZ-CD2 4.21Å; F607-L611 WeakPolarHBondContact O-CB 3.38Å; F607-L611 PolarHBondContact O-N 3.17Å |
| 608 | I | 67 | Low | 68 | Low | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.6 | -46.5 | -175.5 | -82.9 | 158.5 | 0 | 0 | 0 | 112.3 | L26 L36 P147 D151 V152 M155 A604 F605 K610 L611 T612 | L26-I608 HydrophobicContact CB-CD1 3.58Å; L26-I608 HydrophobicContact CD1-CD1 4.27Å; L26-I608 HydrophobicContact CD1-CG1 4.39Å; L26-I608 HydrophobicContact CD2-CD1 4.42Å; L26-I608 HydrophobicContact CG-CD1 4.3Å; L36-I608 HydrophobicContact CD2-CD1 4.38Å; L36-I608 HydrophobicContact CD2-CG1 3.93Å; P147-I608 HydrophobicContact CB-CG2 3.67Å; P147-I608 HydrophobicContact CG-CB 4.42Å; P147-I608 HydrophobicContact CG-CG1 4.37Å; P147-I608 HydrophobicContact CG-CG2 4Å; P147-I608 WeakPolarHBondContact CG-O 3.35Å; D151-I608 HydrophobicContact CB-CG2 3.93Å; V152-I608 HydrophobicContact CG2-CG2 4.34Å; M155-I608 HydrophobicContact CE-CB 3.97Å; M155-I608 HydrophobicContact CE-CD1 3.39Å; M155-I608 HydrophobicContact CE-CG1 4.23Å; M155-I608 HydrophobicContact CE-CG2 4.23Å; M155-I608 HydrophobicContact SD-CB 3.81Å; M155-I608 HydrophobicContact SD-CD1 4.11Å; M155-I608 HydrophobicContact SD-CG2 3.47Å; M155-I608 WeakPolarHBondContact SD-CG2 3.43Å; A604-I608 WeakPolarHBondContact O-CB 3.28Å; A604-I608 PolarHBondContact O-N 3.12Å; F605-I608 PolarHBondContact O-N 2.66Å; I608-K610 PolarHBondContact O-N 2.98Å; I608-L611 PolarHBondContact O-N 2.93Å; I608-L611 VanDerWaalsContact O-N 3.12Å; I608-T612 PolarHBondContact O-N 2.68Å; I608-T612 PolarHBondContact O-OG1 3.21Å |
| 609 | K | 68.9 | Low | 67.7 | Low | 17 Ų | 17 | 34.4 Ų | 34.4 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -51.1 | -52.9 | 176.4 | 177.4 | -173.6 | 166.7 | -174.2 | 0 | 112 | V152 E190 F605 L611 T612 E613 | V152-K609 HydrophobicContact CG1-CB 4.36Å; V152-K609 HydrophobicContact CG2-CB 4.25Å; E190-K609 IonicContact OE1-NZ 2.7Å; E190-K609 PolarHBondContact OE1-NZ 2.98Å; E190-K609 IonicContact OE2-NZ 2.91Å; F605-K609 PolarHBondContact O-N 3.01Å; K609-L611 VanDerWaalsContact C-N 3.27Å; K609-L611 PolarHBondContact O-N 2.91Å; K609-T612 WeakPolarHBondContact O-CB 3.46Å; K609-T612 PolarHBondContact O-N 3.04Å; K609-E613 WeakPolarHBondContact CE-OE1 3.34Å; K609-E613 IonicContact NZ-OE1 4Å; K609-E613 PolarHBondContact O-N 2.91Å |
| 610 | K | 70.8 | Confident | 67.6 | Low | 79 Ų | 79 | 34.2 Ų | 34.2 | 34% | 0.343 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.9 | -35.2 | -177.6 | -176 | -178.6 | 176 | -170 | 0 | 112.7 | E590 I608 E614 | E590-K610 IonicContact OE1-NZ 3.34Å; E590-K610 PolarHBondContact OE1-NZ 3.21Å; I608-K610 PolarHBondContact O-N 2.98Å; K610-E614 VanDerWaalsContact CE-OE1 3.32Å; K610-E614 WeakPolarHBondContact CE-OE1 3.32Å; K610-E614 WeakPolarHBondContact O-CG 3.24Å |
| 611 | L | 68 | Low | 67.7 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -75 | -31.6 | -178.8 | -167.8 | 61.8 | 0 | 0 | 0 | 112 | L36 L146 P147 F607 I608 K609 W615 | L36-L611 HydrophobicContact CD1-CD2 3.94Å; L36-L611 HydrophobicContact CD2-CD2 4.04Å; L36-L611 HydrophobicContact CG-CD2 3.84Å; L146-L611 HydrophobicContact CD2-CD1 3.98Å; L146-L611 HydrophobicContact CD2-CD2 3.7Å; L146-L611 HydrophobicContact CD2-CG 3.8Å; P147-L611 HydrophobicContact CG-CB 3.96Å; P147-L611 HydrophobicContact CG-CD2 4.25Å; P147-L611 HydrophobicContact CG-CG 4.21Å; F607-L611 HydrophobicContact CZ-CD2 4.21Å; F607-L611 WeakPolarHBondContact O-CB 3.38Å; F607-L611 PolarHBondContact O-N 3.17Å; I608-L611 PolarHBondContact O-N 2.93Å; I608-L611 VanDerWaalsContact O-N 3.12Å; K609-L611 VanDerWaalsContact C-N 3.27Å; K609-L611 PolarHBondContact O-N 2.91Å; L611-W615 VanDerWaalsContact O-CB 3.32Å; L611-W615 WeakPolarHBondContact O-CB 3.25Å; L611-W615 PolarHBondContact O-N 2.67Å |
| 612 | T | 64 | Low | 67.6 | Low | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -55.5 | 171.5 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | P147 G148 D149 I608 K609 E614 W615 N616 | P147-T612 WeakPolarHBondContact CB-OG1 3.49Å; P147-T612 WeakPolarHBondContact CG-OG1 3.39Å; P147-T612 WeakPolarHBondContact O-CA 3.48Å; P147-T612 PolarHBondContact O-OG1 3.06Å; G148-T612 PolarHBondContact O-OG1 3.4Å; D149-T612 WeakPolarHBondContact OD1-CG2 3.46Å; I608-T612 PolarHBondContact O-N 2.68Å; I608-T612 PolarHBondContact O-OG1 3.21Å; K609-T612 WeakPolarHBondContact O-CB 3.46Å; K609-T612 PolarHBondContact O-N 3.04Å; T612-E614 PolarHBondContact O-N 2.72Å; T612-W615 PolarHBondContact O-N 2.77Å; T612-W615 VanDerWaalsContact O-N 3.07Å; T612-N616 PolarHBondContact O-N 3.07Å |
| 613 | E | 67.2 | Low | 66.8 | Low | 105 Ų | 105 | 40.8 Ų | 40.8 | 49% | 0.491 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.4 | -45.1 | -171.1 | -69.7 | 169 | 167.8 | 0 | 0 | 112.6 | K609 | K609-E613 WeakPolarHBondContact CE-OE1 3.34Å; K609-E613 IonicContact NZ-OE1 4Å; K609-E613 PolarHBondContact O-N 2.91Å |
| 614 | E | 68.1 | Low | 66.4 | Low | 50 Ų | 50 | 43.7 Ų | 43.7 | 23% | 0.234 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 175.7 | -61.9 | 170.4 | 171.5 | 0 | 0 | 111.1 | Y583 K587 K610 T612 | Y583-E614 HydrophobicContact CE1-CB 4.42Å; Y583-E614 HydrophobicContact CE2-CB 4.23Å; Y583-E614 WeakPolarHBondContact OH-CB 3.47Å; Y583-E614 PolarHBondContact OH-O 3.35Å; K587-E614 WeakPolarHBondContact CE-OE2 3.49Å; K587-E614 VanDerWaalsContact NZ-CD 3.31Å; K587-E614 IonicContact NZ-OE1 3.72Å; K587-E614 PolarHBondContact NZ-OE1 3.02Å; K587-E614 IonicContact NZ-OE2 2.92Å; K587-E614 PolarHBondContact NZ-OE2 2.95Å; K610-E614 VanDerWaalsContact CE-OE1 3.32Å; K610-E614 WeakPolarHBondContact CE-OE1 3.32Å; K610-E614 WeakPolarHBondContact O-CG 3.24Å; T612-E614 PolarHBondContact O-N 2.72Å |
| 615 | W | 66.3 | Low | 66.2 | Low | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.1 | -42.5 | -175.3 | 177.9 | -116.3 | 0 | 0 | 0 | 113 | V43 I46 T137 L146 Y583 L611 T612 Y617 V618 E619 M622 | V43-W615 HydrophobicContact CG1-CE3 3.99Å; V43-W615 HydrophobicContact CG1-CZ3 3.91Å; I46-W615 HydrophobicContact CD1-CH2 4.37Å; I46-W615 HydrophobicContact CD1-CZ3 4.44Å; I46-W615 HydrophobicContact CG2-CH2 4.34Å; I46-W615 HydrophobicContact CG2-CZ3 4.44Å; T137-W615 HydrophobicContact CG2-CZ2 4Å; L146-W615 HydrophobicContact CB-CB 4.31Å; L146-W615 HydrophobicContact CB-CD2 4.21Å; L146-W615 HydrophobicContact CB-CG 3.8Å; L146-W615 HydrophobicContact CD1-CB 4.19Å; L146-W615 HydrophobicContact CD1-CD2 3.3Å; L146-W615 HydrophobicContact CD1-CE3 3.43Å; L146-W615 VanDerWaalsContact CD1-CE3 3.43Å; L146-W615 HydrophobicContact CD1-CG 3.65Å; L146-W615 HydrophobicContact CD1-CH2 4.3Å; L146-W615 HydrophobicContact CD1-CZ2 4.21Å; L146-W615 HydrophobicContact CD1-CZ3 3.94Å; L146-W615 HydrophobicContact CG-CD2 4.37Å; L146-W615 HydrophobicContact CG-CG 4.36Å; Y583-W615 WeakPolarHBondContact OH-CA 3.37Å; Y583-W615 PolarHBondContact OH-N 3.49Å; Y583-W615 VanDerWaalsContact OH-N 3.14Å; L611-W615 VanDerWaalsContact O-CB 3.32Å; L611-W615 WeakPolarHBondContact O-CB 3.25Å; L611-W615 PolarHBondContact O-N 2.67Å; T612-W615 PolarHBondContact O-N 2.77Å; T612-W615 VanDerWaalsContact O-N 3.07Å; W615-Y617 PolarHBondContact O-N 3.39Å; W615-Y617 VanDerWaalsContact O-N 3.08Å; W615-V618 HydrophobicContact CE3-CB 3.81Å; W615-V618 HydrophobicContact CE3-CG1 3.97Å; W615-V618 HydrophobicContact CE3-CG2 4.3Å; W615-V618 HydrophobicContact CH2-CG1 4.47Å; W615-V618 HydrophobicContact CZ3-CB 4.04Å; W615-V618 HydrophobicContact CZ3-CG1 3.65Å; W615-V618 WeakPolarHBondContact O-CB 3.27Å; W615-V618 PolarHBondContact O-N 3.45Å; W615-E619 HydrophobicContact CD2-CB 4.27Å; W615-E619 HydrophobicContact CZ2-CB 4.24Å; W615-E619 HydrophobicContact CZ2-CG 3.97Å; W615-E619 WeakPolarHBondContact O-CB 3.34Å; W615-E619 PolarHBondContact O-N 3.43Å; W615-M622 HydrophobicContact CH2-SD 4.05Å; W615-M622 HydrophobicContact CZ3-SD 4.41Å |
| 616 | N | 62.4 | Low | 65.8 | Low | 51 Ų | 51 | 45 Ų | 45 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -49.8 | -39.1 | 177.8 | -76.1 | -14.2 | 0 | 0 | 0 | 111.8 | D149 T612 S620 | D149-N616 PolarHBondContact OD1-ND2 2.92Å; T612-N616 PolarHBondContact O-N 3.07Å; N616-S620 VanDerWaalsContact O-CB 3.3Å; N616-S620 WeakPolarHBondContact O-CB 3.41Å; N616-S620 PolarHBondContact O-N 3.47Å; N616-S620 PolarHBondContact O-OG 2.96Å |
| 617 | Y | 68.6 | Low | 65.3 | Low | 154 Ų | 154 | 40.4 Ų | 40.4 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -68.2 | -48.8 | 177.2 | -176.8 | -116.2 | 0 | 0 | 0 | 112.6 | L579 W615 E619 S620 L621 | L579-Y617 HydrophobicContact CD1-CD1 4.1Å; L579-Y617 HydrophobicContact CD1-CE1 3.92Å; L579-Y617 HydrophobicContact CD2-CD1 3.91Å; L579-Y617 HydrophobicContact CD2-CE1 4Å; W615-Y617 PolarHBondContact O-N 3.39Å; W615-Y617 VanDerWaalsContact O-N 3.08Å; Y617-E619 VanDerWaalsContact C-N 3.31Å; Y617-E619 PolarHBondContact O-N 3.1Å; Y617-S620 PolarHBondContact O-N 3.39Å; Y617-S620 PolarHBondContact O-OG 3.24Å; Y617-L621 PolarHBondContact O-N 2.67Å |
| 618 | V | 66.7 | Low | 64.8 | Low | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -48.1 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | I47 L579 Y583 W615 L621 M622 | I47-V618 HydrophobicContact CD1-CG1 3.74Å; I47-V618 HydrophobicContact CD1-CG2 4.32Å; I47-V618 HydrophobicContact CG1-CG1 3.93Å; L579-V618 HydrophobicContact CD2-CB 4.11Å; L579-V618 HydrophobicContact CD2-CG1 4.41Å; L579-V618 HydrophobicContact CD2-CG2 3.62Å; L579-V618 HydrophobicContact CG-CG2 4.15Å; Y583-V618 HydrophobicContact CD2-CG2 4.18Å; Y583-V618 HydrophobicContact CE2-CG2 3.37Å; W615-V618 HydrophobicContact CE3-CB 3.81Å; W615-V618 HydrophobicContact CE3-CG1 3.97Å; W615-V618 HydrophobicContact CE3-CG2 4.3Å; W615-V618 HydrophobicContact CH2-CG1 4.47Å; W615-V618 HydrophobicContact CZ3-CB 4.04Å; W615-V618 HydrophobicContact CZ3-CG1 3.65Å; W615-V618 WeakPolarHBondContact O-CB 3.27Å; W615-V618 PolarHBondContact O-N 3.45Å; V618-L621 PolarHBondContact O-N 3.22Å; V618-M622 HydrophobicContact CG1-CG 4.35Å; V618-M622 HydrophobicContact CG1-SD 3.77Å; V618-M622 WeakPolarHBondContact O-CG 3.31Å; V618-M622 PolarHBondContact O-N 2.97Å |
| 619 | E | 60.3 | Low | 64.7 | Low | 31 Ų | 31 | 47.4 Ų | 47.4 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.7 | -38.7 | -173.4 | -155.6 | -156.3 | -145.9 | 0 | 0 | 111.4 | W615 Y617 L621 M622 K623 | W615-E619 HydrophobicContact CD2-CB 4.27Å; W615-E619 HydrophobicContact CZ2-CB 4.24Å; W615-E619 HydrophobicContact CZ2-CG 3.97Å; W615-E619 WeakPolarHBondContact O-CB 3.34Å; W615-E619 PolarHBondContact O-N 3.43Å; Y617-E619 VanDerWaalsContact C-N 3.31Å; Y617-E619 PolarHBondContact O-N 3.1Å; E619-L621 PolarHBondContact O-N 3.12Å; E619-M622 PolarHBondContact O-N 3.24Å; E619-K623 HydrophobicContact CG-CD 3.98Å; E619-K623 HydrophobicContact CG-CG 4.25Å; E619-K623 VanDerWaalsContact O-CB 3.25Å; E619-K623 WeakPolarHBondContact O-CB 3.47Å; E619-K623 WeakPolarHBondContact O-CG 3.05Å; E619-K623 PolarHBondContact O-N 3.45Å; E619-K623 WeakPolarHBondContact OE1-CE 3.35Å; E619-K623 IonicContact OE1-NZ 3.99Å; E619-K623 PolarHBondContact OE1-NZ 3.32Å; E619-K623 VanDerWaalsContact OE2-CE 3.27Å; E619-K623 WeakPolarHBondContact OE2-CE 3.32Å; E619-K623 IonicContact OE2-NZ 3.04Å; E619-K623 PolarHBondContact OE2-NZ 2.97Å |
| 620 | S | 64.2 | Low | 64.6 | Low | 68 Ų | 68 | 48.4 Ų | 48.4 | 48% | 0.476 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.1 | -37.6 | 173.9 | 74.8 | 0 | 0 | 0 | 0 | 112.4 | N616 Y617 S624 | N616-S620 VanDerWaalsContact O-CB 3.3Å; N616-S620 WeakPolarHBondContact O-CB 3.41Å; N616-S620 PolarHBondContact O-N 3.47Å; N616-S620 PolarHBondContact O-OG 2.96Å; Y617-S620 PolarHBondContact O-N 3.39Å; Y617-S620 PolarHBondContact O-OG 3.24Å; S620-S624 PolarHBondContact O-N 3.48Å |
| 621 | L | 68.5 | Low | 64.3 | Low | 27 Ų | 27 | 44.9 Ų | 44.9 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.7 | -40.5 | 178 | -174.4 | 59.1 | 0 | 0 | 0 | 111.5 | Q575 L576 Y617 V618 E619 S624 | Q575-L621 HydrophobicContact CB-CD1 4.11Å; Q575-L621 HydrophobicContact CB-CD2 3.86Å; L576-L621 HydrophobicContact CD2-CB 4.15Å; L576-L621 HydrophobicContact CD2-CD2 3.76Å; L576-L621 HydrophobicContact CD2-CG 3.74Å; L576-L621 HydrophobicContact CG-CD2 4.05Å; L576-L621 HydrophobicContact CG-CG 4.02Å; Y617-L621 PolarHBondContact O-N 2.67Å; V618-L621 PolarHBondContact O-N 3.22Å; E619-L621 PolarHBondContact O-N 3.12Å; L621-S624 PolarHBondContact O-N 3.28Å; L621-S624 PolarHBondContact O-OG 3.06Å |
| 622 | M | 62.7 | Low | 64.1 | Low | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 173.8 | -67.4 | 177.4 | 76.3 | 0 | 0 | 112.7 | I46 Y50 I133 R572 L576 W615 V618 E619 S624 | I46-M622 HydrophobicContact CG2-CE 3.94Å; I46-M622 HydrophobicContact CG2-SD 4.2Å; Y50-M622 HydrophobicContact CD1-CE 4.2Å; Y50-M622 HydrophobicContact CD2-CE 3.3Å; Y50-M622 HydrophobicContact CE2-CE 3.72Å; Y50-M622 HydrophobicContact CG-CE 3.59Å; I133-M622 HydrophobicContact CG2-CE 4.34Å; R572-M622 PolarHBondContact NH1-O 2.95Å; L576-M622 HydrophobicContact CD1-CG 4.27Å; L576-M622 HydrophobicContact CD2-CG 3.55Å; W615-M622 HydrophobicContact CH2-SD 4.05Å; W615-M622 HydrophobicContact CZ3-SD 4.41Å; V618-M622 HydrophobicContact CG1-CG 4.35Å; V618-M622 HydrophobicContact CG1-SD 3.77Å; V618-M622 WeakPolarHBondContact O-CG 3.31Å; V618-M622 PolarHBondContact O-N 2.97Å; E619-M622 PolarHBondContact O-N 3.24Å; M622-S624 VanDerWaalsContact C-N 3.31Å; M622-S624 PolarHBondContact O-N 3.34Å |
| 623 | K | 58.9 | Low | 64 | Low | 121 Ų | 121 | 54.7 Ų | 54.7 | 53% | 0.526 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -77.7 | -9.6 | 177.3 | -76.8 | 178.9 | 173.2 | 168.5 | 0 | 113.9 | E619 D625 | E619-K623 HydrophobicContact CG-CD 3.98Å; E619-K623 HydrophobicContact CG-CG 4.25Å; E619-K623 VanDerWaalsContact O-CB 3.25Å; E619-K623 WeakPolarHBondContact O-CB 3.47Å; E619-K623 WeakPolarHBondContact O-CG 3.05Å; E619-K623 PolarHBondContact O-N 3.45Å; E619-K623 WeakPolarHBondContact OE1-CE 3.35Å; E619-K623 IonicContact OE1-NZ 3.99Å; E619-K623 PolarHBondContact OE1-NZ 3.32Å; E619-K623 VanDerWaalsContact OE2-CE 3.27Å; E619-K623 WeakPolarHBondContact OE2-CE 3.32Å; E619-K623 IonicContact OE2-NZ 3.04Å; E619-K623 PolarHBondContact OE2-NZ 2.97Å; K623-D625 PolarHBondContact O-N 2.68Å |
| 624 | S | 63.9 | Low | 63.8 | Low | 64 Ų | 64 | 49.9 Ų | 49.9 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | trans | -71 | 21.3 | 176.1 | 72.4 | 0 | 0 | 0 | 0 | 114.9 | R572 S620 L621 M622 | R572-S624 VanDerWaalsContact CD-C 3.46Å; R572-S624 VanDerWaalsContact CD-O 3.26Å; R572-S624 WeakPolarHBondContact CD-O 3.45Å; R572-S624 WeakPolarHBondContact CD-OG 3.41Å; R572-S624 WeakPolarHBondContact CG-OG 3.24Å; S620-S624 PolarHBondContact O-N 3.48Å; L621-S624 PolarHBondContact O-N 3.28Å; L621-S624 PolarHBondContact O-OG 3.06Å; M622-S624 VanDerWaalsContact C-N 3.31Å; M622-S624 PolarHBondContact O-N 3.34Å | ||
| 625 | D | 60.7 | Low | 63.5 | Low | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | trans | -64.9 | 134.9 | 172.9 | -169.8 | -1.5 | 0 | 0 | 0 | 109.9 | R57 Y565 K623 S627 | R57-D625 IonicContact CZ-OD2 2.91Å; R57-D625 IonicContact NH1-OD2 3.99Å; R57-D625 PolarHBondContact NH1-OD2 3.33Å; R57-D625 VanDerWaalsContact NH1-OD2 3.17Å; R57-D625 IonicContact NH2-OD2 2.68Å; R57-D625 PolarHBondContact NH2-OD2 3.37Å; Y565-D625 WeakPolarHBondContact CE2-OD1 3.5Å; Y565-D625 PolarHBondContact OH-OD1 2.9Å; Y565-D625 PolarHBondContact OH-OD2 3.43Å; Y565-D625 VanDerWaalsContact OH-OD2 3.06Å; K623-D625 PolarHBondContact O-N 2.68Å; D625-S627 VanDerWaalsContact C-N 3.27Å; D625-S627 PolarHBondContact O-N 2.88Å; D625-S627 PolarHBondContact OD1-N 3.18Å; D625-S627 VanDerWaalsContact OD1-N 3.09Å; D625-S627 PolarHBondContact OD1-OG 3.38Å; D625-S627 WeakPolarHBondContact OD2-CB 3.37Å; D625-S627 PolarHBondContact OD2-OG 3.47Å | ||
| 626 | S | 60.3 | Low | 63.2 | Low | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -82.1 | -6.5 | 179 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | Y565 D628 T629 Y630 | Y565-S626 WeakPolarHBondContact CD2-OG 3.37Å; S626-D628 VanDerWaalsContact C-N 3.27Å; S626-D628 PolarHBondContact O-N 3.21Å; S626-T629 WeakPolarHBondContact O-CB 3.17Å; S626-T629 PolarHBondContact O-N 3.1Å; S626-Y630 WeakPolarHBondContact O-CD2 2.89Å; S626-Y630 PolarHBondContact O-N 3.14Å |
| 627 | S | 61.3 | Low | 63.1 | Low | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -48.5 | -45.7 | -175.7 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | M107 Y565 D625 T629 Y630 L631 | M107-S627 WeakPolarHBondContact O-CB 3.37Å; Y565-S627 VanDerWaalsContact CE2-CA 3.44Å; D625-S627 VanDerWaalsContact C-N 3.27Å; D625-S627 PolarHBondContact O-N 2.88Å; D625-S627 PolarHBondContact OD1-N 3.18Å; D625-S627 VanDerWaalsContact OD1-N 3.09Å; D625-S627 PolarHBondContact OD1-OG 3.38Å; D625-S627 WeakPolarHBondContact OD2-CB 3.37Å; D625-S627 PolarHBondContact OD2-OG 3.47Å; S627-T629 VanDerWaalsContact C-N 3.29Å; S627-T629 PolarHBondContact O-N 2.79Å; S627-Y630 PolarHBondContact O-N 3.27Å; S627-Y630 VanDerWaalsContact O-N 3.1Å; S627-L631 WeakPolarHBondContact O-CB 3.28Å; S627-L631 VanDerWaalsContact O-CG 3.27Å; S627-L631 WeakPolarHBondContact O-CG 3.21Å; S627-L631 PolarHBondContact O-N 3.14Å |
| 628 | D | 61.8 | Low | 62.5 | Low | 92 Ų | 92 | 47.8 Ų | 47.8 | 49% | 0.492 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -32.4 | -177.9 | -124.6 | 9.9 | 0 | 0 | 0 | 113.1 | S626 Q632 | S626-D628 VanDerWaalsContact C-N 3.27Å; S626-D628 PolarHBondContact O-N 3.21Å; D628-Q632 WeakPolarHBondContact O-CB 3.39Å; D628-Q632 WeakPolarHBondContact O-CG 3.16Å; D628-Q632 PolarHBondContact O-N 3.03Å |
| 629 | T | 64.8 | Low | 61.7 | Low | 87 Ų | 87 | 55.5 Ų | 55.5 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | S626 S627 N633 | S626-T629 WeakPolarHBondContact O-CB 3.17Å; S626-T629 PolarHBondContact O-N 3.1Å; S627-T629 VanDerWaalsContact C-N 3.29Å; S627-T629 PolarHBondContact O-N 2.79Å; T629-N633 PolarHBondContact O-N 2.61Å; T629-N633 PolarHBondContact O-ND2 2.92Å |
| 630 | Y | 67.1 | Low | 61.3 | Low | 38 Ų | 38 | 58.8 Ų | 58.8 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76 | -38 | 177.6 | -68.9 | -68.2 | 0 | 0 | 0 | 112.1 | V561 R564 Y565 M568 S626 S627 N633 I634 | V561-Y630 HydrophobicContact CG1-CD1 3.84Å; V561-Y630 HydrophobicContact CG1-CG 4.14Å; R564-Y630 HydrophobicContact CB-CE1 3.8Å; R564-Y630 PolarHBondContact O-OH 3.14Å; Y565-Y630 AromaticContact CD2-CD2 3.7Å; Y565-Y630 HydrophobicContact CD2-CD2 3.7Å; Y565-Y630 HydrophobicContact CD2-CE2 4.19Å; Y565-Y630 HydrophobicContact CG-CD2 4.26Å; M568-Y630 HydrophobicContact SD-CE2 3.83Å; M568-Y630 PolarHBondContact SD-OH 2.91Å; S626-Y630 WeakPolarHBondContact O-CD2 2.89Å; S626-Y630 PolarHBondContact O-N 3.14Å; S627-Y630 PolarHBondContact O-N 3.27Å; S627-Y630 VanDerWaalsContact O-N 3.1Å; Y630-N633 WeakPolarHBondContact O-CB 3.16Å; Y630-N633 PolarHBondContact O-N 3.24Å; Y630-I634 WeakPolarHBondContact O-CG1 3.45Å; Y630-I634 PolarHBondContact O-N 2.98Å |
| 631 | L | 64.6 | Low | 60.5 | Low | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.1 | -34.7 | 174.7 | -72.2 | 167.6 | 0 | 0 | 0 | 112.5 | M107 R108 S627 I634 T635 | M107-L631 HydrophobicContact CB-CD1 4.38Å; M107-L631 HydrophobicContact CB-CD2 3.9Å; M107-L631 HydrophobicContact CB-CG 4.26Å; M107-L631 HydrophobicContact SD-CD2 4.1Å; R108-L631 HydrophobicContact CG-CD1 3.56Å; R108-L631 HydrophobicContact CG-CD2 4.25Å; S627-L631 WeakPolarHBondContact O-CB 3.28Å; S627-L631 VanDerWaalsContact O-CG 3.27Å; S627-L631 WeakPolarHBondContact O-CG 3.21Å; S627-L631 PolarHBondContact O-N 3.14Å; L631-I634 PolarHBondContact O-N 3.48Å; L631-T635 VanDerWaalsContact O-CB 3.25Å; L631-T635 WeakPolarHBondContact O-CB 3.41Å; L631-T635 PolarHBondContact O-N 2.96Å; L631-T635 PolarHBondContact O-OG1 3.13Å |
| 632 | Q | 63.3 | Low | 59.4 | Low | 124 Ų | 124 | 59.3 Ų | 59.3 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.4 | -42.4 | 170.6 | -77.2 | 174.8 | 33 | 0 | 0 | 111.1 | D628 I634 T635 A636 | D628-Q632 WeakPolarHBondContact O-CB 3.39Å; D628-Q632 WeakPolarHBondContact O-CG 3.16Å; D628-Q632 PolarHBondContact O-N 3.03Å; Q632-I634 PolarHBondContact O-N 2.88Å; Q632-T635 PolarHBondContact O-N 3.13Å; Q632-A636 WeakPolarHBondContact O-CB 3.24Å; Q632-A636 PolarHBondContact O-N 3.14Å |
| 633 | N | 63.1 | Low | 58.9 | Low | 84 Ų | 84 | 59.3 Ų | 59.3 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 172.7 | -81.8 | -53.9 | 0 | 0 | 0 | 111.6 | T629 Y630 A636 M637 | T629-N633 PolarHBondContact O-N 2.61Å; T629-N633 PolarHBondContact O-ND2 2.92Å; Y630-N633 WeakPolarHBondContact O-CB 3.16Å; Y630-N633 PolarHBondContact O-N 3.24Å; N633-A636 PolarHBondContact O-N 3.18Å; N633-M637 HydrophobicContact CB-CE 4.48Å; N633-M637 VanDerWaalsContact O-CG 3.27Å; N633-M637 WeakPolarHBondContact O-CG 3.45Å; N633-M637 PolarHBondContact O-N 3.18Å |
| 634 | I | 63 | Low | 58.6 | Low | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 176.1 | -57.7 | 159.6 | 0 | 0 | 0 | 111.4 | W100 M107 V561 Y630 L631 Q632 A636 M637 R638 | W100-I634 HydrophobicContact CH2-CB 4.21Å; W100-I634 HydrophobicContact CH2-CD1 4.26Å; W100-I634 HydrophobicContact CH2-CG2 3.41Å; W100-I634 VanDerWaalsContact CH2-CG2 3.41Å; W100-I634 HydrophobicContact CZ2-CG2 4.47Å; W100-I634 HydrophobicContact CZ3-CD1 4.26Å; W100-I634 HydrophobicContact CZ3-CG2 3.54Å; M107-I634 HydrophobicContact CE-CD1 4.29Å; M107-I634 HydrophobicContact SD-CD1 3.85Å; V561-I634 HydrophobicContact CB-CD1 4.19Å; V561-I634 HydrophobicContact CB-CG1 4.27Å; V561-I634 HydrophobicContact CG1-CD1 3.65Å; V561-I634 HydrophobicContact CG1-CG1 3.92Å; V561-I634 HydrophobicContact CG2-CG1 4.23Å; Y630-I634 WeakPolarHBondContact O-CG1 3.45Å; Y630-I634 PolarHBondContact O-N 2.98Å; L631-I634 PolarHBondContact O-N 3.48Å; Q632-I634 PolarHBondContact O-N 2.88Å; I634-A636 VanDerWaalsContact C-N 3.32Å; I634-A636 PolarHBondContact O-N 2.95Å; I634-M637 WeakPolarHBondContact O-CA 3.35Å; I634-M637 WeakPolarHBondContact O-CB 3.29Å; I634-M637 PolarHBondContact O-N 2.86Å; I634-M637 VanDerWaalsContact O-N 3.15Å; I634-R638 HydrophobicContact CG2-CG 4.28Å; I634-R638 VanDerWaalsContact O-CG 3.29Å; I634-R638 WeakPolarHBondContact O-CG 3.43Å; I634-R638 PolarHBondContact O-N 3.33Å |
| 635 | T | 60.7 | Low | 58.3 | Low | 45 Ų | 45 | 57.3 Ų | 57.3 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 178.5 | -58 | 0 | 0 | 0 | 0 | 111.6 | L631 Q632 R638 Q639 | L631-T635 VanDerWaalsContact O-CB 3.25Å; L631-T635 WeakPolarHBondContact O-CB 3.41Å; L631-T635 PolarHBondContact O-N 2.96Å; L631-T635 PolarHBondContact O-OG1 3.13Å; Q632-T635 PolarHBondContact O-N 3.13Å; T635-R638 PolarHBondContact O-N 3.19Å; T635-Q639 WeakPolarHBondContact O-CG 3.44Å; T635-Q639 PolarHBondContact O-N 3.13Å |
| 636 | A | 60.2 | Low | 58.1 | Low | 53 Ų | 53 | 57.1 Ų | 57.1 | 44% | 0.438 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q632 N633 I634 Q639 S640 | Q632-A636 WeakPolarHBondContact O-CB 3.24Å; Q632-A636 PolarHBondContact O-N 3.14Å; N633-A636 PolarHBondContact O-N 3.18Å; I634-A636 VanDerWaalsContact C-N 3.32Å; I634-A636 PolarHBondContact O-N 2.95Å; A636-Q639 PolarHBondContact O-N 3.36Å; A636-S640 WeakPolarHBondContact O-CB 3.15Å; A636-S640 PolarHBondContact O-N 3.35Å; A636-S640 PolarHBondContact O-OG 3.06Å |
| 637 | M | 60.1 | Low | 57.8 | Low | 51 Ų | 51 | 59.2 Ų | 59.2 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.8 | -52.8 | 170.5 | -65.5 | 161.2 | -169.9 | 0 | 0 | 110.5 | M557 V561 N633 I634 Q639 S640 S641 | M557-M637 HydrophobicContact CB-SD 4.06Å; M557-M637 HydrophobicContact CE-CB 3.84Å; M557-M637 HydrophobicContact CE-CG 3.85Å; M557-M637 HydrophobicContact CE-SD 3.97Å; M557-M637 HydrophobicContact SD-CG 4.45Å; M557-M637 HydrophobicContact SD-SD 4.29Å; V561-M637 HydrophobicContact CG2-CE 4.4Å; N633-M637 HydrophobicContact CB-CE 4.48Å; N633-M637 VanDerWaalsContact O-CG 3.27Å; N633-M637 WeakPolarHBondContact O-CG 3.45Å; N633-M637 PolarHBondContact O-N 3.18Å; I634-M637 WeakPolarHBondContact O-CA 3.35Å; I634-M637 WeakPolarHBondContact O-CB 3.29Å; I634-M637 PolarHBondContact O-N 2.86Å; I634-M637 VanDerWaalsContact O-N 3.15Å; M637-Q639 PolarHBondContact O-N 3.33Å; M637-S640 PolarHBondContact O-N 2.62Å; M637-S640 PolarHBondContact O-OG 2.89Å; M637-S641 PolarHBondContact O-N 3.41Å; M637-S641 PolarHBondContact O-OG 3.02Å |
| 638 | R | 55.7 | Low | 57.7 | Low | 66 Ų | 66 | 62.9 Ų | 62.9 | 25% | 0.249 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.1 | -21.4 | 179.5 | -67.7 | 179.2 | 103.6 | -174.2 | 5.6 | 114.9 | W100 E104 I634 T635 F645 | W100-R638 VanDerWaalsContact CE2-NH1 3.29Å; W100-R638 VanDerWaalsContact CZ2-NH1 3.31Å; W100-R638 VanDerWaalsContact NE1-CZ 3.25Å; W100-R638 VanDerWaalsContact NE1-NH1 3.15Å; E104-R638 IonicContact OE1-NH1 3.15Å; E104-R638 IonicContact OE2-NH1 3.73Å; I634-R638 HydrophobicContact CG2-CG 4.28Å; I634-R638 VanDerWaalsContact O-CG 3.29Å; I634-R638 WeakPolarHBondContact O-CG 3.43Å; I634-R638 PolarHBondContact O-N 3.33Å; T635-R638 PolarHBondContact O-N 3.19Å; R638-F645 HydrophobicContact CB-CD2 4.41Å; R638-F645 HydrophobicContact CG-CD2 3.65Å; R638-F645 HydrophobicContact CG-CE2 3.62Å |
| 639 | Q | 51.3 | Low | 57.4 | Low | 161 Ų | 161 | 61 Ų | 61 | 75% | 0.752 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -104.9 | -17 | 179.3 | -66.8 | -178.3 | 14.8 | 0 | 0 | 113.9 | T635 A636 M637 | T635-Q639 WeakPolarHBondContact O-CG 3.44Å; T635-Q639 PolarHBondContact O-N 3.13Å; A636-Q639 PolarHBondContact O-N 3.36Å; M637-Q639 PolarHBondContact O-N 3.33Å |
| 640 | S | 50.6 | Low | 57 | Low | 100 Ų | 100 | 58 Ų | 58 | 70% | 0.699 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -105.5 | -22.9 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | A636 M637 | A636-S640 WeakPolarHBondContact O-CB 3.15Å; A636-S640 PolarHBondContact O-N 3.35Å; A636-S640 PolarHBondContact O-OG 3.06Å; M637-S640 PolarHBondContact O-N 2.62Å; M637-S640 PolarHBondContact O-OG 2.89Å |
| 641 | S | 47.8 | Very low | 56.9 | Low | 35 Ų | 35 | 56.8 Ų | 56.8 | 25% | 0.245 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -69.9 | 144.9 | 168.7 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | M637 A643 | M637-S641 PolarHBondContact O-N 3.41Å; M637-S641 PolarHBondContact O-OG 3.02Å; S641-A643 PolarHBondContact O-N 2.8Å; S641-A643 PolarHBondContact OG-O 2.68Å |
| 642 | A | 46.4 | Very low | 57 | Low | 72 Ų | 72 | 59.6 Ų | 59.6 | 60% | 0.595 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -62.6 | -10.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N550 | N550-A642 HydrophobicContact CB-CB 4.28Å; N550-A642 PolarHBondContact ND2-O 2.84Å |
| 643 | A | 50.7 | Low | 56.9 | Low | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 122.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N550 L551 T554 S641 | N550-A643 HydrophobicContact CB-CB 3.67Å; N550-A643 WeakPolarHBondContact O-CB 3.5Å; L551-A643 HydrophobicContact CD2-CB 4.35Å; T554-A643 VanDerWaalsContact OG1-CB 3.31Å; T554-A643 WeakPolarHBondContact OG1-CB 3.41Å; S641-A643 PolarHBondContact O-N 2.8Å; S641-A643 PolarHBondContact OG-O 2.68Å |
| 644 | K | 53.6 | Low | 57 | Low | 121 Ų | 121 | 52 Ų | 52 | 53% | 0.526 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 122.9 | 158.9 | -52.5 | -167.5 | -163.1 | 77.8 | 0 | 108.1 | D547 L551 | D547-K644 HydrophobicContact CB-CB 3.81Å; D547-K644 HydrophobicContact CB-CG 4.04Å; D547-K644 IonicContact OD1-NZ 3.9Å; D547-K644 PolarHBondContact OD1-NZ 3.03Å; D547-K644 IonicContact OD2-NZ 2.7Å; D547-K644 PolarHBondContact OD2-NZ 3.46Å; L551-K644 VanDerWaalsContact CD2-O 3.31Å; L551-K644 WeakPolarHBondContact CD2-O 3.37Å |
| 645 | F | 57 | Low | 57.6 | Low | 23 Ų | 23 | 51.8 Ų | 51.8 | 10% | 0.101 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 142 | 174.3 | -81.3 | -108.2 | 0 | 0 | 0 | 111.2 | W100 T554 V558 R638 | W100-F645 HydrophobicContact CB-CD1 4.24Å; W100-F645 HydrophobicContact CB-CE1 4.3Å; W100-F645 HydrophobicContact CD2-CD1 4.45Å; W100-F645 HydrophobicContact CD2-CE1 4.28Å; W100-F645 HydrophobicContact CE3-CE1 4.17Å; W100-F645 HydrophobicContact CG-CD1 4.17Å; W100-F645 HydrophobicContact CG-CE1 4.31Å; T554-F645 HydrophobicContact CG2-CD2 4.49Å; T554-F645 HydrophobicContact CG2-CE2 3.48Å; T554-F645 VanDerWaalsContact CG2-CE2 3.48Å; T554-F645 HydrophobicContact CG2-CZ 3.86Å; V558-F645 HydrophobicContact CG2-CZ 4.42Å; R638-F645 HydrophobicContact CB-CD2 4.41Å; R638-F645 HydrophobicContact CG-CD2 3.65Å; R638-F645 HydrophobicContact CG-CE2 3.62Å |
| 646 | P | 55.9 | Low | 58.1 | Low | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 151 | -176.6 | 29.3 | -35 | 0 | 0 | 0 | 112.5 | V93 L96 A97 L551 D650 | V93-P646 HydrophobicContact CG1-CB 3.96Å; V93-P646 HydrophobicContact CG1-CG 4.34Å; L96-P646 HydrophobicContact CB-CG 4.26Å; A97-P646 HydrophobicContact CB-CG 4.39Å; L551-P646 HydrophobicContact CD1-CG 4.34Å; P646-D650 HydrophobicContact CB-CB 4Å |
| 647 | T | 55.7 | Low | 58.5 | Low | 57 Ų | 57 | 50 Ų | 50 | 35% | 0.35 | 29% | 0.287 | S | S | . | . | trans | -104.1 | 172.9 | 176 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | E649 D650 L651 | T647-E649 PolarHBondContact O-N 2.88Å; T647-E649 PolarHBondContact OG1-N 3.1Å; T647-D650 WeakPolarHBondContact CB-OD2 3.19Å; T647-D650 PolarHBondContact N-OD2 3.18Å; T647-D650 PolarHBondContact O-N 2.83Å; T647-D650 PolarHBondContact OG1-N 3.1Å; T647-D650 PolarHBondContact OG1-OD2 2.91Å; T647-L651 PolarHBondContact O-N 3.22Å | ||
| 648 | D | 59.3 | Low | 59.5 | Low | 90 Ų | 90 | 48 Ų | 48 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56 | -29.3 | 170.9 | -67.4 | -74.6 | 0 | 0 | 0 | 113 | R101 T652 | R101-D648 IonicContact CZ-OD1 3.73Å; R101-D648 VanDerWaalsContact CZ-OD1 3.25Å; R101-D648 IonicContact CZ-OD2 2.77Å; R101-D648 IonicContact NH1-OD1 2.89Å; R101-D648 PolarHBondContact NH1-OD1 3.38Å; R101-D648 IonicContact NH1-OD2 2.73Å; R101-D648 IonicContact NH2-OD1 3.6Å; R101-D648 PolarHBondContact NH2-OD1 3.48Å; R101-D648 IonicContact NH2-OD2 3.77Å; R101-D648 PolarHBondContact NH2-OD2 2.6Å; D648-T652 VanDerWaalsContact O-CB 3.25Å; D648-T652 WeakPolarHBondContact O-CB 3.41Å; D648-T652 PolarHBondContact O-N 2.78Å; D648-T652 PolarHBondContact O-OG1 3.1Å |
| 649 | E | 54.7 | Low | 60.9 | Low | 53 Ų | 53 | 45.3 Ų | 45.3 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.2 | -33.9 | 175 | -80.6 | -174.7 | -135.8 | 0 | 0 | 112.7 | T647 G653 I896 S897 | T647-E649 PolarHBondContact O-N 2.88Å; T647-E649 PolarHBondContact OG1-N 3.1Å; E649-G653 PolarHBondContact O-N 3.02Å; E649-I896 HydrophobicContact CB-CG2 4.49Å; E649-I896 HydrophobicContact CG-CG2 4.4Å; E649-I896 VanDerWaalsContact OE1-CG2 3.27Å; E649-I896 WeakPolarHBondContact OE1-CG2 3.32Å; E649-I896 WeakPolarHBondContact OE2-CG2 3.42Å; E649-S897 WeakPolarHBondContact OE1-CA 3.19Å; E649-S897 PolarHBondContact OE1-N 2.93Å; E649-S897 WeakPolarHBondContact OE2-CA 3.39Å; E649-S897 PolarHBondContact OE2-N 3.5Å |
| 650 | D | 56.4 | Low | 62.2 | Low | 23 Ų | 23 | 39.6 Ų | 39.6 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.9 | -40.8 | 177 | -57.2 | -71.6 | 0 | 0 | 0 | 110.4 | M545 P646 T647 G653 A654 | M545-D650 WeakPolarHBondContact CG-OD1 3.24Å; P646-D650 HydrophobicContact CB-CB 4Å; T647-D650 WeakPolarHBondContact CB-OD2 3.19Å; T647-D650 PolarHBondContact N-OD2 3.18Å; T647-D650 PolarHBondContact O-N 2.83Å; T647-D650 PolarHBondContact OG1-N 3.1Å; T647-D650 PolarHBondContact OG1-OD2 2.91Å; D650-G653 PolarHBondContact O-N 3.49Å; D650-A654 WeakPolarHBondContact O-CB 3.13Å; D650-A654 PolarHBondContact O-N 2.96Å |
| 651 | L | 64.2 | Low | 63.8 | Low | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 170.9 | -179.8 | 61 | 0 | 0 | 0 | 112.1 | Y90 V93 K94 T647 G653 A654 A655 | Y90-L651 HydrophobicContact CD2-CD1 4.2Å; Y90-L651 HydrophobicContact CE2-CD1 3.62Å; V93-L651 HydrophobicContact CG1-CB 4.27Å; V93-L651 HydrophobicContact CG1-CD1 4.31Å; K94-L651 HydrophobicContact CB-CD1 3.77Å; K94-L651 HydrophobicContact CG-CD1 4.13Å; T647-L651 PolarHBondContact O-N 3.22Å; L651-G653 VanDerWaalsContact C-N 3.3Å; L651-G653 PolarHBondContact O-N 3.36Å; L651-A654 PolarHBondContact O-N 3.43Å; L651-A655 WeakPolarHBondContact O-CB 3.07Å; L651-A655 PolarHBondContact O-N 3.19Å |
| 652 | T | 67.3 | Low | 65.7 | Low | 62 Ų | 62 | 33.6 Ų | 33.6 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | D648 A655 V656 V697 | D648-T652 VanDerWaalsContact O-CB 3.25Å; D648-T652 WeakPolarHBondContact O-CB 3.41Å; D648-T652 PolarHBondContact O-N 2.78Å; D648-T652 PolarHBondContact O-OG1 3.1Å; T652-A655 PolarHBondContact O-N 2.98Å; T652-V656 WeakPolarHBondContact O-CG2 3.34Å; T652-V656 PolarHBondContact O-N 2.72Å; T652-V697 HydrophobicContact CG2-CG1 4.11Å; T652-V697 HydrophobicContact CG2-CG2 4.38Å |
| 653 | G | 60.3 | Low | 67.6 | Low | 26 Ų | 26 | 31.1 Ų | 31.1 | 27% | 0.268 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | E649 D650 L651 V656 A657 | E649-G653 PolarHBondContact O-N 3.02Å; D650-G653 PolarHBondContact O-N 3.49Å; L651-G653 VanDerWaalsContact C-N 3.3Å; L651-G653 PolarHBondContact O-N 3.36Å; G653-V656 PolarHBondContact O-N 3.03Å; G653-A657 WeakPolarHBondContact O-CB 3.03Å; G653-A657 PolarHBondContact O-N 2.94Å |
| 654 | A | 66.4 | Low | 69.2 | Low | 22 Ų | 22 | 31.3 Ų | 31.3 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y90 D650 L651 A657 L658 | Y90-A654 HydrophobicContact CD2-CB 4.03Å; D650-A654 WeakPolarHBondContact O-CB 3.13Å; D650-A654 PolarHBondContact O-N 2.96Å; L651-A654 PolarHBondContact O-N 3.43Å; A654-A657 WeakPolarHBondContact O-CB 3.47Å; A654-A657 PolarHBondContact O-N 3.36Å; A654-A657 VanDerWaalsContact O-N 3.13Å; A654-L658 PolarHBondContact O-N 2.91Å |
| 655 | A | 75.3 | Confident | 70.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y90 L651 T652 A657 L658 L659 L694 V697 | Y90-A655 HydrophobicContact CE2-CB 3.99Å; L651-A655 WeakPolarHBondContact O-CB 3.07Å; L651-A655 PolarHBondContact O-N 3.19Å; T652-A655 PolarHBondContact O-N 2.98Å; A655-A657 VanDerWaalsContact C-N 3.25Å; A655-A657 PolarHBondContact O-N 2.9Å; A655-L658 PolarHBondContact O-N 2.87Å; A655-L659 WeakPolarHBondContact O-CG 3.37Å; A655-L659 PolarHBondContact O-N 3.39Å; A655-L694 HydrophobicContact CB-CD2 3.51Å; A655-V697 HydrophobicContact CB-CB 3.88Å; A655-V697 HydrophobicContact CB-CG1 3.76Å; A655-V697 HydrophobicContact CB-CG2 3.77Å |
| 656 | V | 70.4 | Confident | 72.2 | Confident | 43 Ų | 43 | 32.1 Ų | 32.1 | 26% | 0.261 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.9 | -27.8 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 112.4 | T652 G653 R660 V697 | T652-V656 WeakPolarHBondContact O-CG2 3.34Å; T652-V656 PolarHBondContact O-N 2.72Å; G653-V656 PolarHBondContact O-N 3.03Å; V656-R660 PolarHBondContact O-N 3.48Å; V656-V697 HydrophobicContact CG2-CG1 3.6Å |
| 657 | A | 69.3 | Low | 73.7 | Confident | 19 Ų | 19 | 33 Ų | 33 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -43.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G653 A654 A655 R660 L661 | G653-A657 WeakPolarHBondContact O-CB 3.03Å; G653-A657 PolarHBondContact O-N 2.94Å; A654-A657 WeakPolarHBondContact O-CB 3.47Å; A654-A657 PolarHBondContact O-N 3.36Å; A654-A657 VanDerWaalsContact O-N 3.13Å; A655-A657 VanDerWaalsContact C-N 3.25Å; A655-A657 PolarHBondContact O-N 2.9Å; A657-R660 PolarHBondContact O-N 2.78Å; A657-L661 WeakPolarHBondContact O-CG 3.42Å; A657-L661 PolarHBondContact O-N 3.41Å |
| 658 | L | 81.6 | Confident | 75.4 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 172.9 | -88.1 | 177 | 0 | 0 | 0 | 112 | P86 L87 Y90 A654 A655 R660 L661 Q662 F686 L694 | P86-L658 HydrophobicContact CB-CD2 3.9Å; P86-L658 HydrophobicContact CG-CD2 4.4Å; L87-L658 HydrophobicContact CD2-CD1 4.32Å; L87-L658 HydrophobicContact CD2-CD2 3.77Å; L87-L658 HydrophobicContact CG-CD2 4.42Å; Y90-L658 VanDerWaalsContact CB-CD1 3.44Å; Y90-L658 HydrophobicContact CD1-CD1 3.79Å; Y90-L658 HydrophobicContact CD2-CD1 4.04Å; Y90-L658 HydrophobicContact CG-CD1 3.47Å; Y90-L658 VanDerWaalsContact CG-CD1 3.47Å; A654-L658 PolarHBondContact O-N 2.91Å; A655-L658 PolarHBondContact O-N 2.87Å; L658-R660 VanDerWaalsContact C-N 3.26Å; L658-R660 PolarHBondContact O-N 2.87Å; L658-L661 PolarHBondContact O-N 2.78Å; L658-Q662 PolarHBondContact O-N 2.79Å; L658-F686 HydrophobicContact CD1-CZ 4.34Å; L658-L694 HydrophobicContact CD1-CD1 4.15Å; L658-L694 HydrophobicContact CD1-CD2 4.19Å |
| 659 | L | 84 | Confident | 76.8 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.4 | -39.1 | 176.9 | -65.7 | 177.3 | 0 | 0 | 0 | 111.4 | A655 D663 A698 H706 W710 | A655-L659 WeakPolarHBondContact O-CG 3.37Å; A655-L659 PolarHBondContact O-N 3.39Å; L659-D663 WeakPolarHBondContact O-CB 3.39Å; L659-D663 PolarHBondContact O-N 3.4Å; L659-A698 HydrophobicContact CD1-CB 3.89Å; L659-H706 HydrophobicContact CD2-CB 3.89Å; L659-W710 VanDerWaalsContact CD2-NE1 3.31Å |
| 660 | R | 79.4 | Confident | 78.5 | Confident | 41 Ų | 41 | 31.3 Ų | 31.3 | 16% | 0.155 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 173.9 | -172.7 | -174.4 | -54.1 | 98.7 | 18.5 | 113 | V656 A657 L658 D663 V664 G960 H962 | V656-R660 PolarHBondContact O-N 3.48Å; A657-R660 PolarHBondContact O-N 2.78Å; L658-R660 VanDerWaalsContact C-N 3.26Å; L658-R660 PolarHBondContact O-N 2.87Å; R660-D663 PolarHBondContact O-N 3.06Å; R660-V664 HydrophobicContact CG-CG2 4.22Å; R660-V664 WeakPolarHBondContact O-CG2 3.35Å; R660-V664 PolarHBondContact O-N 3.05Å; R660-G960 PolarHBondContact NH1-O 2.98Å; R660-H962 VanDerWaalsContact CD-CE1 3.5Å; R660-H962 WeakPolarHBondContact CD-CE1 3.39Å; R660-H962 WeakPolarHBondContact CD-ND1 3.48Å; R660-H962 PolarHBondContact NE-CE1 2.97Å |
| 661 | L | 83.6 | Confident | 79.9 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | 178.8 | -71.1 | 176.7 | 0 | 0 | 0 | 111.1 | P86 A657 L658 D663 Y665 L667 P1080 V1081 L1082 | P86-L661 HydrophobicContact CB-CD1 3.7Å; P86-L661 HydrophobicContact CG-CD1 4.02Å; A657-L661 WeakPolarHBondContact O-CG 3.42Å; A657-L661 PolarHBondContact O-N 3.41Å; L658-L661 PolarHBondContact O-N 2.78Å; L661-D663 VanDerWaalsContact C-N 3.33Å; L661-D663 PolarHBondContact O-N 3.1Å; L661-Y665 HydrophobicContact CD2-CD2 4.19Å; L661-Y665 HydrophobicContact CD2-CE2 4.16Å; L661-Y665 WeakPolarHBondContact O-CB 3.44Å; L661-Y665 PolarHBondContact O-N 3.47Å; L661-L667 HydrophobicContact CB-CD1 4.47Å; L661-P1080 HydrophobicContact CD2-CB 3.62Å; L661-V1081 WeakPolarHBondContact CD2-O 3.23Å; L661-L1082 HydrophobicContact CB-CD1 4.23Å; L661-L1082 HydrophobicContact CD1-CD1 4.32Å; L661-L1082 HydrophobicContact CD2-CB 4.48Å; L661-L1082 HydrophobicContact CD2-CD1 4.11Å; L661-L1082 HydrophobicContact CG-CD1 4.45Å |
| 662 | Q | 88.3 | Confident | 80.9 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -52.5 | -51.8 | 170.7 | -175.5 | 175.6 | 19.6 | 0 | 0 | 111.4 | L658 K666 L667 T669 L672 H706 | L658-Q662 PolarHBondContact O-N 2.79Å; Q662-K666 VanDerWaalsContact O-CA 3.31Å; Q662-K666 WeakPolarHBondContact O-CA 3.46Å; Q662-K666 PolarHBondContact O-N 2.87Å; Q662-L667 WeakPolarHBondContact CG-O 3.38Å; Q662-L667 PolarHBondContact O-N 3.27Å; Q662-L667 VanDerWaalsContact O-N 3.15Å; Q662-T669 PolarHBondContact NE2-OG1 3.29Å; Q662-L672 HydrophobicContact CB-CD1 3.85Å; Q662-L672 HydrophobicContact CG-CD1 3.74Å; Q662-H706 PolarHBondContact OE1-CD2 2.97Å |
| 663 | D | 85.4 | Confident | 81.9 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | -177.1 | -130.1 | 21.2 | 0 | 0 | 0 | 113.4 | L659 R660 L661 H706 R796 R805 | L659-D663 WeakPolarHBondContact O-CB 3.39Å; L659-D663 PolarHBondContact O-N 3.4Å; R660-D663 PolarHBondContact O-N 3.06Å; L661-D663 VanDerWaalsContact C-N 3.33Å; L661-D663 PolarHBondContact O-N 3.1Å; D663-H706 IonicContact OD1-CE1 2.7Å; D663-H706 PolarHBondContact OD1-CE1 3.4Å; D663-H706 IonicContact OD1-NE2 3.56Å; D663-R796 VanDerWaalsContact CG-CZ 3.5Å; D663-R796 PolarHBondContact O-NH2 2.76Å; D663-R796 IonicContact OD1-CZ 3.52Å; D663-R796 IonicContact OD1-NE 2.75Å; D663-R796 PolarHBondContact OD1-NE 3.23Å; D663-R796 IonicContact OD1-NH2 3.33Å; D663-R796 PolarHBondContact OD1-NH2 2.96Å; D663-R796 IonicContact OD2-CZ 3.47Å; D663-R796 IonicContact OD2-NE 3.8Å; D663-R796 PolarHBondContact OD2-NE 3.46Å; D663-R796 IonicContact OD2-NH2 2.78Å; D663-R796 PolarHBondContact OD2-NH2 2.91Å; D663-R805 IonicContact OD2-CZ 3.52Å; D663-R805 IonicContact OD2-NH2 3.54Å; D663-R805 PolarHBondContact OD2-NH2 3.43Å |
| 664 | V | 84.6 | Confident | 83 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.4 | -41.4 | -175.4 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | R660 E809 C812 R813 P1080 | R660-V664 HydrophobicContact CG-CG2 4.22Å; R660-V664 WeakPolarHBondContact O-CG2 3.35Å; R660-V664 PolarHBondContact O-N 3.05Å; V664-E809 HydrophobicContact CB-CG 4.42Å; V664-E809 HydrophobicContact CG1-CB 4.43Å; V664-E809 HydrophobicContact CG1-CG 4.23Å; V664-E809 HydrophobicContact CG2-CG 4.18Å; V664-C812 HydrophobicContact CG1-CB 3.83Å; V664-R813 WeakPolarHBondContact O-CD 3.43Å; V664-R813 WeakPolarHBondContact O-CG 3.3Å; V664-R813 PolarHBondContact O-NH1 3.41Å; V664-P1080 HydrophobicContact CB-CG 4.27Å; V664-P1080 HydrophobicContact CG1-CG 4.13Å; V664-P1080 HydrophobicContact CG2-CG 4.05Å |
| 665 | Y | 87.8 | Confident | 83.3 | Confident | 28 Ų | 28 | 31.2 Ų | 31.2 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -90 | -2.7 | -176.7 | -71.5 | -81.6 | 0 | 0 | 0 | 114.2 | L661 L667 C812 R813 G1039 P1080 L1082 | L661-Y665 HydrophobicContact CD2-CD2 4.19Å; L661-Y665 HydrophobicContact CD2-CE2 4.16Å; L661-Y665 WeakPolarHBondContact O-CB 3.44Å; L661-Y665 PolarHBondContact O-N 3.47Å; Y665-L667 VanDerWaalsContact C-N 3.25Å; Y665-L667 PolarHBondContact O-N 3.03Å; Y665-C812 VanDerWaalsContact CE1-O 3.22Å; Y665-C812 WeakPolarHBondContact CE1-O 3.39Å; Y665-R813 HydrophobicContact CD1-CG 4.13Å; Y665-R813 WeakPolarHBondContact O-CD 3.24Å; Y665-G1039 WeakPolarHBondContact OH-CA 3.31Å; Y665-P1080 HydrophobicContact CE2-CB 4.3Å; Y665-P1080 PolarHBondContact OH-O 2.75Å; Y665-P1080 VanDerWaalsContact OH-O 3.12Å; Y665-L1082 HydrophobicContact CD1-CD2 3.96Å; Y665-L1082 HydrophobicContact CD2-CB 4.31Å; Y665-L1082 HydrophobicContact CD2-CD1 4.04Å; Y665-L1082 HydrophobicContact CD2-CD2 4.23Å; Y665-L1082 HydrophobicContact CD2-CG 4.44Å; Y665-L1082 HydrophobicContact CE1-CD2 4.25Å; Y665-L1082 HydrophobicContact CE2-CB 3.99Å; Y665-L1082 HydrophobicContact CG-CD1 4.37Å; Y665-L1082 HydrophobicContact CG-CD2 3.97Å |
| 666 | K | 87.3 | Confident | 83.3 | Confident | 133 Ų | 133 | 35 Ų | 35 | 58% | 0.578 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 35.9 | -174.9 | -59.6 | 171.1 | 174.5 | 162.7 | 0 | 112.9 | Q662 E815 | Q662-K666 VanDerWaalsContact O-CA 3.31Å; Q662-K666 WeakPolarHBondContact O-CA 3.46Å; Q662-K666 PolarHBondContact O-N 2.87Å; K666-E815 IonicContact NZ-OE1 2.77Å; K666-E815 PolarHBondContact NZ-OE1 2.76Å; K666-E815 IonicContact NZ-OE2 3.83Å |
| 667 | L | 87.4 | Confident | 83.3 | Confident | 30 Ų | 30 | 33.5 Ų | 33.5 | 16% | 0.157 | 16% | 0.16 | C | C | . | . | trans | -69.2 | 134.9 | -176.4 | -50.8 | 172.5 | 0 | 0 | 0 | 109.6 | L661 Q662 Y665 L672 I677 L1082 | L661-L667 HydrophobicContact CB-CD1 4.47Å; Q662-L667 WeakPolarHBondContact CG-O 3.38Å; Q662-L667 PolarHBondContact O-N 3.27Å; Q662-L667 VanDerWaalsContact O-N 3.15Å; Y665-L667 VanDerWaalsContact C-N 3.25Å; Y665-L667 PolarHBondContact O-N 3.03Å; L667-L672 HydrophobicContact CB-CD1 3.83Å; L667-L672 HydrophobicContact CB-CD2 4.09Å; L667-L672 HydrophobicContact CB-CG 3.88Å; L667-L672 HydrophobicContact CD1-CD2 3.85Å; L667-I677 HydrophobicContact CD1-CG2 4.34Å; L667-I677 HydrophobicContact CD2-CG2 4.2Å; L667-L1082 HydrophobicContact CD1-CD1 3.8Å | ||
| 668 | D | 89.5 | Confident | 83.2 | Confident | 81 Ų | 81 | 41 Ų | 41 | 43% | 0.433 | 19% | 0.192 | S | C | . | . | trans | -70.4 | 147.5 | 178.2 | 179.8 | -101.8 | 0 | 0 | 0 | 111.7 | H670 E671 L672 | D668-H670 WeakPolarHBondContact OD1-CA 2.97Å; D668-H670 VanDerWaalsContact OD1-CB 3.28Å; D668-H670 WeakPolarHBondContact OD1-CB 3.49Å; D668-H670 PolarHBondContact OD1-N 3.06Å; D668-E671 HydrophobicContact CB-CB 4.13Å; D668-E671 HydrophobicContact CB-CG 4.07Å; D668-E671 PolarHBondContact OD1-N 3.29Å; D668-E671 VanDerWaalsContact OD1-N 3.1Å; D668-L672 WeakPolarHBondContact O-CB 3.23Å; D668-L672 VanDerWaalsContact O-CG 3.23Å; D668-L672 WeakPolarHBondContact O-CG 3.14Å; D668-L672 PolarHBondContact O-N 2.94Å | ||
| 669 | T | 90.2 | Very high | 82.3 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.2 | -33.8 | -174.9 | -44.8 | 0 | 0 | 0 | 0 | 112 | Q662 S673 L709 W710 E713 | Q662-T669 PolarHBondContact NE2-OG1 3.29Å; T669-S673 WeakPolarHBondContact O-CB 3.42Å; T669-S673 PolarHBondContact O-N 2.89Å; T669-L709 HydrophobicContact CG2-CB 4.16Å; T669-W710 HydrophobicContact CG2-CD2 3.78Å; T669-W710 HydrophobicContact CG2-CE3 3.85Å; T669-W710 HydrophobicContact CG2-CG 4.32Å; T669-W710 HydrophobicContact CG2-CH2 4.2Å; T669-W710 HydrophobicContact CG2-CZ2 4.12Å; T669-W710 HydrophobicContact CG2-CZ3 4.06Å; T669-E713 HydrophobicContact CG2-CB 4.11Å |
| 670 | H | 89.7 | Confident | 81.4 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -80.1 | -33.9 | 178.1 | -173.7 | 63.5 | 0 | 0 | 0 | 111.3 | D668 S673 Q674 E713 | D668-H670 WeakPolarHBondContact OD1-CA 2.97Å; D668-H670 VanDerWaalsContact OD1-CB 3.28Å; D668-H670 WeakPolarHBondContact OD1-CB 3.49Å; D668-H670 PolarHBondContact OD1-N 3.06Å; H670-S673 WeakPolarHBondContact CA-OG 3.37Å; H670-S673 PolarHBondContact O-N 2.88Å; H670-S673 PolarHBondContact O-OG 3.27Å; H670-Q674 PolarHBondContact CE1-NE2 2.97Å; H670-Q674 VanDerWaalsContact CE1-NE2 3.31Å; H670-Q674 PolarHBondContact NE2-NE2 2.98Å; H670-Q674 WeakPolarHBondContact O-CB 3.38Å; H670-Q674 VanDerWaalsContact O-CG 3.27Å; H670-Q674 WeakPolarHBondContact O-CG 3.06Å; H670-Q674 PolarHBondContact O-N 3.05Å; H670-E713 IonicContact CE1-OE1 3.22Å; H670-E713 IonicContact CG-OE1 2.64Å; H670-E713 IonicContact ND1-OE1 2.85Å; H670-E713 PolarHBondContact ND1-OE1 3.08Å; H670-E713 IonicContact ND1-OE2 3.33Å; H670-E713 PolarHBondContact ND1-OE2 3.32Å |
| 671 | E | 86.6 | Confident | 80.6 | Confident | 100 Ų | 100 | 47.2 Ų | 47.2 | 47% | 0.467 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 170.4 | -65.8 | -168.3 | 140.7 | 0 | 0 | 111.7 | D668 S673 Q674 G675 K676 | D668-E671 HydrophobicContact CB-CB 4.13Å; D668-E671 HydrophobicContact CB-CG 4.07Å; D668-E671 PolarHBondContact OD1-N 3.29Å; D668-E671 VanDerWaalsContact OD1-N 3.1Å; E671-S673 VanDerWaalsContact C-N 3.33Å; E671-S673 PolarHBondContact O-N 2.81Å; E671-Q674 CarbonylContact O-C 3.46Å; E671-Q674 PolarHBondContact O-N 2.98Å; E671-Q674 VanDerWaalsContact O-N 3.08Å; E671-G675 PolarHBondContact O-N 3.43Å; E671-K676 CarbonylContact C-O 3.48Å; E671-K676 HydrophobicContact CB-CB 4.2Å; E671-K676 WeakPolarHBondContact O-CB 3.12Å; E671-K676 PolarHBondContact O-N 2.96Å |
| 672 | L | 85.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 173.4 | -77.1 | 172.3 | 0 | 0 | 0 | 112.2 | L87 Q662 L667 D668 Q674 G675 I677 W710 | L87-L672 HydrophobicContact CD1-CD2 4.28Å; L87-L672 WeakPolarHBondContact CD1-O 3.25Å; L87-L672 HydrophobicContact CD2-CD2 4.08Å; Q662-L672 HydrophobicContact CB-CD1 3.85Å; Q662-L672 HydrophobicContact CG-CD1 3.74Å; L667-L672 HydrophobicContact CB-CD1 3.83Å; L667-L672 HydrophobicContact CB-CD2 4.09Å; L667-L672 HydrophobicContact CB-CG 3.88Å; L667-L672 HydrophobicContact CD1-CD2 3.85Å; D668-L672 WeakPolarHBondContact O-CB 3.23Å; D668-L672 VanDerWaalsContact O-CG 3.23Å; D668-L672 WeakPolarHBondContact O-CG 3.14Å; D668-L672 PolarHBondContact O-N 2.94Å; L672-Q674 PolarHBondContact O-N 3.23Å; L672-G675 PolarHBondContact O-N 2.98Å; L672-I677 HydrophobicContact CD2-CD1 3.82Å; L672-I677 HydrophobicContact CD2-CG1 3.76Å; L672-W710 HydrophobicContact CB-CH2 3.9Å; L672-W710 HydrophobicContact CB-CZ2 4.38Å; L672-W710 HydrophobicContact CD1-CH2 4.32Å; L672-W710 HydrophobicContact CD1-CZ2 3.96Å |
| 673 | S | 86.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.7 | -24.2 | 178.4 | 78.4 | 0 | 0 | 0 | 0 | 113 | T669 H670 E671 G675 E685 F686 E713 R717 | T669-S673 WeakPolarHBondContact O-CB 3.42Å; T669-S673 PolarHBondContact O-N 2.89Å; H670-S673 WeakPolarHBondContact CA-OG 3.37Å; H670-S673 PolarHBondContact O-N 2.88Å; H670-S673 PolarHBondContact O-OG 3.27Å; E671-S673 VanDerWaalsContact C-N 3.33Å; E671-S673 PolarHBondContact O-N 2.81Å; S673-G675 VanDerWaalsContact C-N 3.27Å; S673-G675 PolarHBondContact O-N 3.44Å; S673-E685 CarbonylContact O-C 3.54Å; S673-E685 WeakPolarHBondContact O-CA 3.31Å; S673-F686 PolarHBondContact O-N 3.34Å; S673-E713 WeakPolarHBondContact CB-OE1 3.43Å; S673-E713 PolarHBondContact OG-OE1 3.47Å; S673-R717 VanDerWaalsContact CB-NE 3.34Å; S673-R717 PolarHBondContact O-NH2 2.97Å; S673-R717 PolarHBondContact OG-NE 2.87Å; S673-R717 PolarHBondContact OG-NH2 3.25Å |
| 674 | Q | 83.9 | Confident | 77.4 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 19% | 0.187 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 13.4 | 174.4 | -73.9 | -179.1 | -16.6 | 0 | 0 | 113.6 | H670 E671 L672 K676 R717 | H670-Q674 PolarHBondContact CE1-NE2 2.97Å; H670-Q674 VanDerWaalsContact CE1-NE2 3.31Å; H670-Q674 PolarHBondContact NE2-NE2 2.98Å; H670-Q674 WeakPolarHBondContact O-CB 3.38Å; H670-Q674 VanDerWaalsContact O-CG 3.27Å; H670-Q674 WeakPolarHBondContact O-CG 3.06Å; H670-Q674 PolarHBondContact O-N 3.05Å; E671-Q674 CarbonylContact O-C 3.46Å; E671-Q674 PolarHBondContact O-N 2.98Å; E671-Q674 VanDerWaalsContact O-N 3.08Å; L672-Q674 PolarHBondContact O-N 3.23Å; Q674-K676 HydrophobicContact CB-CD 4Å; Q674-K676 HydrophobicContact CB-CG 4.27Å; Q674-K676 PolarHBondContact O-N 3.3Å; Q674-R717 VanDerWaalsContact CG-NH2 3.31Å |
| 675 | G | 72.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 13.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E671 L672 S673 N682 V683 | E671-G675 PolarHBondContact O-N 3.43Å; L672-G675 PolarHBondContact O-N 2.98Å; S673-G675 VanDerWaalsContact C-N 3.27Å; S673-G675 PolarHBondContact O-N 3.44Å; G675-N682 WeakPolarHBondContact O-CA 3.41Å; G675-V683 PolarHBondContact O-N 3.12Å |
| 676 | K | 75.6 | Confident | 77.1 | Confident | 78 Ų | 78 | 60.5 Ų | 60.5 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | trans | -101.1 | 122 | -173.7 | -62.9 | 165.7 | -173.2 | 169.6 | 0 | 111 | E671 Q674 | E671-K676 CarbonylContact C-O 3.48Å; E671-K676 HydrophobicContact CB-CB 4.2Å; E671-K676 WeakPolarHBondContact O-CB 3.12Å; E671-K676 PolarHBondContact O-N 2.96Å; Q674-K676 HydrophobicContact CB-CD 4Å; Q674-K676 HydrophobicContact CB-CG 4.27Å; Q674-K676 PolarHBondContact O-N 3.3Å | ||
| 677 | I | 71.5 | Confident | 77.2 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | trans | -137.1 | 134.4 | 165.4 | -56.2 | 176.4 | 0 | 0 | 0 | 107.1 | P86 L87 L667 L672 G679 I680 L1082 | P86-I677 HydrophobicContact CG-CD1 3.6Å; L87-I677 HydrophobicContact CD1-CD1 3.75Å; L87-I677 HydrophobicContact CD1-CG1 3.88Å; L87-I677 HydrophobicContact CG-CD1 3.95Å; L667-I677 HydrophobicContact CD1-CG2 4.34Å; L667-I677 HydrophobicContact CD2-CG2 4.2Å; L672-I677 HydrophobicContact CD2-CD1 3.82Å; L672-I677 HydrophobicContact CD2-CG1 3.76Å; I677-G679 PolarHBondContact O-N 3.47Å; I677-I680 HydrophobicContact CB-CD1 3.83Å; I677-I680 HydrophobicContact CD1-CD1 4.49Å; I677-I680 HydrophobicContact CG2-CD1 3.65Å; I677-I680 PolarHBondContact O-N 3.43Å; I677-I680 VanDerWaalsContact O-N 3.11Å; I677-L1082 HydrophobicContact CG2-CD1 3.97Å; I677-L1082 HydrophobicContact CG2-CD2 3.92Å; I677-L1082 HydrophobicContact CG2-CG 4.05Å | ||
| 678 | E | 67.6 | Low | 77.3 | Confident | 177 Ų | 177 | 54.8 Ų | 54.8 | 83% | 0.827 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 125.5 | -175.7 | -66.3 | -163.9 | 133.3 | 0 | 0 | 112.7 | I680 | E678-I680 VanDerWaalsContact C-N 3.35Š|
| 679 | G | 61.6 | Low | 77.3 | Confident | 86 Ų | 86 | 51.4 Ų | 51.4 | 89% | 0.887 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -5.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | I677 | I677-G679 PolarHBondContact O-N 3.47Š|
| 680 | I | 65.4 | Low | 77.2 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.087 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -108.9 | 144.5 | 179.6 | -58.9 | 154.8 | 0 | 0 | 0 | 108.6 | N85 I677 E678 A1038 L1082 A1083 | N85-I680 HydrophobicContact CB-CG2 4.03Å; N85-I680 VanDerWaalsContact ND2-CG2 3.28Å; N85-I680 WeakPolarHBondContact ND2-CG2 3.27Å; I677-I680 HydrophobicContact CB-CD1 3.83Å; I677-I680 HydrophobicContact CD1-CD1 4.49Å; I677-I680 HydrophobicContact CG2-CD1 3.65Å; I677-I680 PolarHBondContact O-N 3.43Å; I677-I680 VanDerWaalsContact O-N 3.11Å; E678-I680 VanDerWaalsContact C-N 3.35Å; I680-A1038 HydrophobicContact CD1-CB 4.23Å; I680-A1038 HydrophobicContact CG1-CB 4.4Å; I680-L1082 HydrophobicContact CD1-CG 4.33Å; I680-A1083 HydrophobicContact CD1-CB 3.47Å; I680-A1083 VanDerWaalsContact CD1-CB 3.47Å; I680-A1083 HydrophobicContact CG1-CB 3.66Å |
| 681 | P | 61.5 | Low | 77.3 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | trans | -57 | 142.5 | 174.7 | -24.8 | 35.1 | 0 | 0 | 0 | 112.1 | V683 | P681-V683 PolarHBondContact O-N 3.05Š| ||
| 682 | N | 60.7 | Low | 77.6 | Confident | 121 Ų | 121 | 43.6 Ų | 43.6 | 65% | 0.647 | 25% | 0.247 | S | C | * | . | trans | -56.9 | 137.8 | 171.1 | -67.3 | 10 | 0 | 0 | 0 | 110.1 | G675 | G675-N682 WeakPolarHBondContact O-CA 3.41Š| ||
| 683 | V | 62.8 | Low | 77.7 | Confident | 28 Ų | 28 | 45 Ų | 45 | 17% | 0.17 | 25% | 0.254 | C | S | . | . | trans | -119 | -178.9 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | N85 L87 D88 G675 P681 E685 | N85-V683 HydrophobicContact CB-CG1 4.31Å; N85-V683 WeakPolarHBondContact ND2-CG1 3.4Å; L87-V683 HydrophobicContact CB-CG2 3.86Å; L87-V683 HydrophobicContact CD1-CG2 4.22Å; D88-V683 VanDerWaalsContact CG-CG1 3.43Å; D88-V683 WeakPolarHBondContact OD1-CB 3.4Å; D88-V683 VanDerWaalsContact OD1-CG1 3.32Å; D88-V683 WeakPolarHBondContact OD1-CG1 2.94Å; D88-V683 WeakPolarHBondContact OD2-CG1 3.48Å; G675-V683 PolarHBondContact O-N 3.12Å; P681-V683 PolarHBondContact O-N 3.05Å; V683-E685 PolarHBondContact O-N 3.44Å | ||
| 684 | D | 68 | Low | 77.9 | Confident | 80 Ų | 80 | 45 Ų | 45 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 134.4 | 176.8 | -72.1 | -6.3 | 0 | 0 | 0 | 111.4 | R95 | R95-D684 IonicContact CZ-OD2 3.58Å; R95-D684 VanDerWaalsContact CZ-OD2 3.27Å; R95-D684 IonicContact NH1-OD2 2.62Å; R95-D684 PolarHBondContact NH1-OD2 2.8Å; R95-D684 IonicContact NH2-OD2 3.84Å; R95-D684 PolarHBondContact NH2-OD2 3.09Å |
| 685 | E | 80.6 | Confident | 78.2 | Confident | 108 Ų | 108 | 43.1 Ų | 43.1 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -68.6 | 140.9 | 171.7 | -67.6 | -150 | -153.8 | 0 | 0 | 111.1 | S673 V683 R717 | S673-E685 CarbonylContact O-C 3.54Å; S673-E685 WeakPolarHBondContact O-CA 3.31Å; V683-E685 PolarHBondContact O-N 3.44Å; E685-R717 IonicContact OE2-CZ 3.83Å; E685-R717 VanDerWaalsContact OE2-CZ 3.26Å; E685-R717 IonicContact OE2-NH1 3.43Å; E685-R717 PolarHBondContact OE2-NH1 3.02Å; E685-R717 IonicContact OE2-NH2 2.7Å; E685-R717 PolarHBondContact OE2-NH2 2.92Å |
| 686 | F | 85.6 | Confident | 79.1 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 138.7 | 178 | -79.4 | 17.5 | 0 | 0 | 0 | 111.3 | L87 Y90 V91 L658 S673 E690 L694 W710 R717 | L87-F686 HydrophobicContact CB-CE1 3.9Å; L87-F686 HydrophobicContact CB-CZ 4.09Å; L87-F686 HydrophobicContact CD2-CE1 3.87Å; L87-F686 HydrophobicContact CD2-CE2 4.02Å; L87-F686 HydrophobicContact CD2-CZ 3.37Å; L87-F686 HydrophobicContact CG-CE1 4.44Å; L87-F686 HydrophobicContact CG-CZ 4.32Å; Y90-F686 AromaticContact CD1-CE2 4Å; Y90-F686 HydrophobicContact CD1-CE2 4Å; Y90-F686 AromaticContact CD1-CZ 3.71Å; Y90-F686 HydrophobicContact CD1-CZ 3.71Å; Y90-F686 HydrophobicContact CE1-CE2 4.14Å; Y90-F686 HydrophobicContact CE1-CZ 4.28Å; V91-F686 HydrophobicContact CG2-CD1 3.86Å; V91-F686 HydrophobicContact CG2-CE1 3.34Å; V91-F686 HydrophobicContact CG2-CZ 4.03Å; L658-F686 HydrophobicContact CD1-CZ 4.34Å; S673-F686 PolarHBondContact O-N 3.34Å; F686-E690 HydrophobicContact CB-CB 4.06Å; F686-E690 HydrophobicContact CD2-CB 4.02Å; F686-E690 HydrophobicContact CG-CB 4.08Å; F686-L694 HydrophobicContact CE2-CD1 3.88Å; F686-W710 HydrophobicContact CD2-CZ3 4.2Å; F686-W710 HydrophobicContact CE2-CH2 4.47Å; F686-W710 HydrophobicContact CE2-CZ3 4.5Å; F686-R717 VanDerWaalsContact O-CD 3.29Å; F686-R717 WeakPolarHBondContact O-CD 3.38Å; F686-R717 PolarHBondContact O-NH1 3.28Å |
| 687 | T | 88.9 | Confident | 79.6 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 27% | 0.27 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -68.6 | 161.6 | 166.5 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | G689 E690 C691 E721 T725 | T687-G689 PolarHBondContact O-N 3.02Å; T687-E690 WeakPolarHBondContact CB-OE2 3.23Å; T687-E690 WeakPolarHBondContact CG2-OE2 3.31Å; T687-E690 PolarHBondContact N-OE2 3.2Å; T687-E690 PolarHBondContact O-N 3.41Å; T687-E690 VanDerWaalsContact O-N 3.14Å; T687-E690 WeakPolarHBondContact OG1-CG 3.28Å; T687-E690 PolarHBondContact OG1-N 2.96Å; T687-E690 PolarHBondContact OG1-OE2 3.24Å; T687-C691 PolarHBondContact O-N 2.9Å; T687-E721 VanDerWaalsContact CA-OE1 3.23Å; T687-E721 WeakPolarHBondContact CA-OE1 3.31Å; T687-E721 WeakPolarHBondContact CB-OE1 3.36Å; T687-T725 HydrophobicContact CG2-CG2 4.11Å |
| 688 | A | 90 | Very high | 80.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -33.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F692 A714 R717 E721 T725 V726 | A688-F692 WeakPolarHBondContact O-CB 3.46Å; A688-F692 PolarHBondContact O-N 3.36Å; A688-A714 WeakPolarHBondContact O-CB 3.42Å; A688-R717 HydrophobicContact CB-CB 3.96Å; A688-E721 VanDerWaalsContact CB-OE2 3.23Å; A688-E721 WeakPolarHBondContact CB-OE2 3.34Å; A688-E721 PolarHBondContact N-OE1 3.19Å; A688-T725 PolarHBondContact N-OG1 3.42Å; A688-V726 HydrophobicContact CB-CG1 3.84Å |
| 689 | G | 89 | Confident | 81.5 | Confident | 9 Ų | 9 | 37.3 Ų | 37.3 | 9% | 0.093 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -35.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | T687 F692 E693 T725 | T687-G689 PolarHBondContact O-N 3.02Å; G689-F692 PolarHBondContact O-N 3.07Å; G689-E693 WeakPolarHBondContact O-CB 3.45Å; G689-E693 WeakPolarHBondContact O-CG 3.38Å; G689-E693 PolarHBondContact O-N 3.23Å; G689-T725 PolarHBondContact N-OG1 3.1Å |
| 690 | E | 87.3 | Confident | 82.6 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 173.9 | -81.8 | 152.2 | 161.3 | 0 | 0 | 111.9 | Y90 K94 F686 T687 F692 E693 L694 | Y90-E690 HydrophobicContact CE1-CB 4.47Å; Y90-E690 HydrophobicContact CE1-CG 4.43Å; K94-E690 HydrophobicContact CD-CG 3.45Å; K94-E690 VanDerWaalsContact CD-CG 3.45Å; F686-E690 HydrophobicContact CB-CB 4.06Å; F686-E690 HydrophobicContact CD2-CB 4.02Å; F686-E690 HydrophobicContact CG-CB 4.08Å; T687-E690 WeakPolarHBondContact CB-OE2 3.23Å; T687-E690 WeakPolarHBondContact CG2-OE2 3.31Å; T687-E690 PolarHBondContact N-OE2 3.2Å; T687-E690 PolarHBondContact O-N 3.41Å; T687-E690 VanDerWaalsContact O-N 3.14Å; T687-E690 WeakPolarHBondContact OG1-CG 3.28Å; T687-E690 PolarHBondContact OG1-N 2.96Å; T687-E690 PolarHBondContact OG1-OE2 3.24Å; E690-F692 VanDerWaalsContact C-N 3.35Å; E690-F692 PolarHBondContact O-N 3.06Å; E690-E693 PolarHBondContact O-N 2.98Å; E690-L694 PolarHBondContact O-N 3.42Å |
| 691 | C | 92.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 171 | -67.6 | 0 | 0 | 0 | 0 | 112 | T687 E693 L694 G695 W710 A714 | T687-C691 PolarHBondContact O-N 2.9Å; C691-E693 PolarHBondContact O-N 3.04Å; C691-L694 PolarHBondContact O-N 2.83Å; C691-G695 PolarHBondContact O-N 2.86Å; C691-G695 VanDerWaalsContact O-N 3.08Å; C691-W710 HydrophobicContact CB-CE3 3.99Å; C691-W710 HydrophobicContact CB-CZ3 4.48Å; C691-A714 HydrophobicContact CB-CB 3.72Å |
| 692 | F | 93 | Very high | 84.2 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 176.1 | 172.5 | -96.1 | 0 | 0 | 0 | 112.4 | A688 G689 E690 L694 G695 R696 M711 A714 V726 D730 I731 Y734 | A688-F692 WeakPolarHBondContact O-CB 3.46Å; A688-F692 PolarHBondContact O-N 3.36Å; G689-F692 PolarHBondContact O-N 3.07Å; E690-F692 VanDerWaalsContact C-N 3.35Å; E690-F692 PolarHBondContact O-N 3.06Å; F692-L694 PolarHBondContact O-N 2.88Å; F692-G695 CarbonylContact O-C 3.34Å; F692-G695 PolarHBondContact O-N 2.85Å; F692-R696 WeakPolarHBondContact O-CB 3.47Å; F692-R696 PolarHBondContact O-N 3.44Å; F692-M711 HydrophobicContact CD2-CE 3.47Å; F692-M711 VanDerWaalsContact CD2-CE 3.47Å; F692-M711 HydrophobicContact CD2-SD 3.55Å; F692-M711 VanDerWaalsContact CD2-SD 3.55Å; F692-M711 HydrophobicContact CE2-CE 3.67Å; F692-M711 HydrophobicContact CE2-SD 4.02Å; F692-M711 HydrophobicContact CG-CE 4.2Å; F692-M711 WeakPolarHBondContact O-CE 3.42Å; F692-A714 HydrophobicContact CB-CB 4.24Å; F692-V726 HydrophobicContact CB-CG1 4.34Å; F692-V726 HydrophobicContact CB-CG2 4.05Å; F692-V726 HydrophobicContact CD1-CG2 3.87Å; F692-V726 HydrophobicContact CD2-CG2 3.98Å; F692-V726 HydrophobicContact CE1-CG2 4.31Å; F692-V726 HydrophobicContact CE2-CG2 4.42Å; F692-V726 HydrophobicContact CG-CG2 3.69Å; F692-D730 HydrophobicContact CE2-CB 3.6Å; F692-D730 HydrophobicContact CZ-CB 3.73Å; F692-I731 HydrophobicContact CD2-CG1 3.86Å; F692-Y734 AromaticContact CE2-CD2 3.88Å; F692-Y734 HydrophobicContact CE2-CD2 3.88Å; F692-Y734 HydrophobicContact CE2-CE2 4.22Å; F692-Y734 HydrophobicContact CZ-CD2 4.17Å; F692-Y734 HydrophobicContact CZ-CE2 4.02Å |
| 693 | E | 87.9 | Confident | 85.4 | Confident | 34 Ų | 34 | 40.4 Ų | 40.4 | 16% | 0.159 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 178.4 | -80.1 | -64.8 | 160 | 0 | 0 | 112.5 | Y90 G689 E690 C691 R696 V697 | Y90-E693 WeakPolarHBondContact OH-CB 3.18Å; G689-E693 WeakPolarHBondContact O-CB 3.45Å; G689-E693 WeakPolarHBondContact O-CG 3.38Å; G689-E693 PolarHBondContact O-N 3.23Å; E690-E693 PolarHBondContact O-N 2.98Å; C691-E693 PolarHBondContact O-N 3.04Å; E693-R696 PolarHBondContact O-N 3.49Å; E693-R696 IonicContact OE1-CZ 3.64Å; E693-R696 IonicContact OE1-NE 2.71Å; E693-R696 IonicContact OE1-NH1 3.68Å; E693-R696 PolarHBondContact OE1-NH1 2.86Å; E693-R696 IonicContact OE1-NH2 3.2Å; E693-R696 PolarHBondContact OE1-NH2 3.24Å; E693-R696 IonicContact OE2-CZ 2.82Å; E693-R696 IonicContact OE2-NE 2.7Å; E693-R696 PolarHBondContact OE2-NE 3.35Å; E693-R696 IonicContact OE2-NH1 3.25Å; E693-R696 IonicContact OE2-NH2 3.33Å; E693-R696 PolarHBondContact OE2-NH2 3.41Å; E693-V697 WeakPolarHBondContact O-CG2 3.02Å; E693-V697 PolarHBondContact O-N 3.04Å |
| 694 | L | 89.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 172.4 | -68.4 | -174.8 | 0 | 0 | 0 | 112.2 | Y90 A655 L658 F686 E690 C691 F692 R696 V697 A698 W710 | Y90-L694 HydrophobicContact CD2-CD2 4.39Å; Y90-L694 HydrophobicContact CE1-CD2 4.11Å; Y90-L694 HydrophobicContact CE1-CG 4.19Å; Y90-L694 HydrophobicContact CE2-CD2 3.81Å; A655-L694 HydrophobicContact CB-CD2 3.51Å; L658-L694 HydrophobicContact CD1-CD1 4.15Å; L658-L694 HydrophobicContact CD1-CD2 4.19Å; F686-L694 HydrophobicContact CE2-CD1 3.88Å; E690-L694 PolarHBondContact O-N 3.42Å; C691-L694 PolarHBondContact O-N 2.83Å; F692-L694 PolarHBondContact O-N 2.88Å; L694-R696 VanDerWaalsContact C-N 3.31Å; L694-R696 PolarHBondContact O-N 3.42Å; L694-V697 PolarHBondContact O-N 2.68Å; L694-A698 PolarHBondContact O-N 3.44Å; L694-W710 HydrophobicContact CB-CB 4.45Å; L694-W710 HydrophobicContact CB-CD2 3.87Å; L694-W710 HydrophobicContact CB-CE3 4.26Å; L694-W710 HydrophobicContact CB-CG 3.94Å; L694-W710 HydrophobicContact CD1-CD2 3.88Å; L694-W710 HydrophobicContact CD1-CE3 3.89Å; L694-W710 HydrophobicContact CD1-CH2 3.58Å; L694-W710 HydrophobicContact CD1-CZ2 3.57Å; L694-W710 HydrophobicContact CD1-CZ3 3.74Å |
| 695 | G | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.7 | -34.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C691 F692 A698 Y699 M711 | C691-G695 PolarHBondContact O-N 2.86Å; C691-G695 VanDerWaalsContact O-N 3.08Å; F692-G695 CarbonylContact O-C 3.34Å; F692-G695 PolarHBondContact O-N 2.85Å; G695-A698 PolarHBondContact O-N 3.23Å; G695-Y699 WeakPolarHBondContact O-CB 3.24Å; G695-Y699 PolarHBondContact O-N 2.88Å; G695-M711 VanDerWaalsContact C-CE 3.47Å |
| 696 | R | 91.1 | Very high | 88.5 | Confident | 82 Ų | 82 | 35 Ų | 35 | 31% | 0.309 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.7 | -39.4 | 176.1 | -166.2 | 179.2 | 77 | -164.2 | 0.6 | 111.6 | F692 E693 L694 Y699 N700 M711 Y734 | F692-R696 WeakPolarHBondContact O-CB 3.47Å; F692-R696 PolarHBondContact O-N 3.44Å; E693-R696 PolarHBondContact O-N 3.49Å; E693-R696 IonicContact OE1-CZ 3.64Å; E693-R696 IonicContact OE1-NE 2.71Å; E693-R696 IonicContact OE1-NH1 3.68Å; E693-R696 PolarHBondContact OE1-NH1 2.86Å; E693-R696 IonicContact OE1-NH2 3.2Å; E693-R696 PolarHBondContact OE1-NH2 3.24Å; E693-R696 IonicContact OE2-CZ 2.82Å; E693-R696 IonicContact OE2-NE 2.7Å; E693-R696 PolarHBondContact OE2-NE 3.35Å; E693-R696 IonicContact OE2-NH1 3.25Å; E693-R696 IonicContact OE2-NH2 3.33Å; E693-R696 PolarHBondContact OE2-NH2 3.41Å; L694-R696 VanDerWaalsContact C-N 3.31Å; L694-R696 PolarHBondContact O-N 3.42Å; R696-Y699 PolarHBondContact O-N 3.1Å; R696-N700 VanDerWaalsContact O-CG 3.31Å; R696-N700 PolarHBondContact O-N 3.01Å; R696-N700 PolarHBondContact O-ND2 2.83Å; R696-M711 HydrophobicContact CB-CE 4.49Å; R696-Y734 HydrophobicContact CG-CE1 3.95Å |
| 697 | V | 85.5 | Confident | 88.9 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68 | -39.4 | 173.8 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | T652 A655 V656 E693 L694 N700 N701 | T652-V697 HydrophobicContact CG2-CG1 4.11Å; T652-V697 HydrophobicContact CG2-CG2 4.38Å; A655-V697 HydrophobicContact CB-CB 3.88Å; A655-V697 HydrophobicContact CB-CG1 3.76Å; A655-V697 HydrophobicContact CB-CG2 3.77Å; V656-V697 HydrophobicContact CG2-CG1 3.6Å; E693-V697 WeakPolarHBondContact O-CG2 3.02Å; E693-V697 PolarHBondContact O-N 3.04Å; L694-V697 PolarHBondContact O-N 2.68Å; V697-N700 PolarHBondContact O-N 3.38Å; V697-N701 PolarHBondContact O-N 3.24Å; V697-N701 PolarHBondContact O-ND2 3.13Å |
| 698 | A | 88.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L659 L694 G695 N700 N701 K702 D703 H706 V707 | L659-A698 HydrophobicContact CD1-CB 3.89Å; L694-A698 PolarHBondContact O-N 3.44Å; G695-A698 PolarHBondContact O-N 3.23Å; A698-N700 PolarHBondContact O-N 3.15Å; A698-N701 CarbonylContact O-C 3.58Å; A698-N701 PolarHBondContact O-N 2.86Å; A698-N701 VanDerWaalsContact O-N 3.1Å; A698-K702 PolarHBondContact O-N 3.05Å; A698-K702 VanDerWaalsContact O-N 3.16Å; A698-D703 HydrophobicContact CB-CB 4.31Å; A698-D703 PolarHBondContact O-N 2.76Å; A698-H706 HydrophobicContact CB-CB 3.7Å; A698-V707 HydrophobicContact CB-CG2 3.86Å |
| 699 | Y | 90.2 | Very high | 89.4 | Confident | 56 Ų | 56 | 34.5 Ų | 34.5 | 22% | 0.22 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 177.8 | 178.9 | -82 | 0 | 0 | 0 | 112.3 | G695 R696 N701 K702 Y734 F737 | G695-Y699 WeakPolarHBondContact O-CB 3.24Å; G695-Y699 PolarHBondContact O-N 2.88Å; R696-Y699 PolarHBondContact O-N 3.1Å; Y699-N701 PolarHBondContact O-N 3.11Å; Y699-K702 WeakPolarHBondContact O-CA 3.33Å; Y699-K702 PolarHBondContact O-N 3.26Å; Y699-Y734 HydrophobicContact CD1-CD1 4.04Å; Y699-Y734 AromaticContact CD1-CE1 3.59Å; Y699-Y734 HydrophobicContact CD1-CE1 3.59Å; Y699-Y734 AromaticContact CD2-CD1 3.48Å; Y699-Y734 HydrophobicContact CD2-CD1 3.48Å; Y699-Y734 VanDerWaalsContact CD2-CD1 3.48Å; Y699-Y734 AromaticContact CD2-CE1 3.91Å; Y699-Y734 HydrophobicContact CD2-CE1 3.91Å; Y699-Y734 HydrophobicContact CE1-CE1 4.04Å; Y699-Y734 HydrophobicContact CE2-CD1 4.02Å; Y699-Y734 HydrophobicContact CE2-CE1 4.3Å; Y699-Y734 AromaticContact CG-CD1 3.48Å; Y699-Y734 HydrophobicContact CG-CD1 3.48Å; Y699-Y734 VanDerWaalsContact CG-CD1 3.48Å; Y699-Y734 AromaticContact CG-CE1 3.53Å; Y699-Y734 HydrophobicContact CG-CE1 3.53Å; Y699-F737 HydrophobicContact CD2-CD1 4.2Å; Y699-F737 HydrophobicContact CE2-CB 4.23Å; Y699-F737 AromaticContact CE2-CD1 3.42Å; Y699-F737 HydrophobicContact CE2-CD1 3.42Å; Y699-F737 VanDerWaalsContact CE2-CD1 3.42Å; Y699-F737 AromaticContact CE2-CE1 3.92Å; Y699-F737 HydrophobicContact CE2-CE1 3.92Å; Y699-F737 AromaticContact CE2-CG 3.97Å; Y699-F737 HydrophobicContact CE2-CG 3.97Å |
| 700 | N | 84.5 | Confident | 89.7 | Confident | 105 Ų | 105 | 34.2 Ų | 34.2 | 56% | 0.561 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -64.2 | -24.7 | 179.4 | -72.1 | -19.1 | 0 | 0 | 0 | 112.9 | R696 V697 A698 | R696-N700 VanDerWaalsContact O-CG 3.31Å; R696-N700 PolarHBondContact O-N 3.01Å; R696-N700 PolarHBondContact O-ND2 2.83Å; V697-N700 PolarHBondContact O-N 3.38Å; A698-N700 PolarHBondContact O-N 3.15Å |
| 701 | N | 76 | Confident | 90.1 | Very high | 79 Ų | 79 | 33.9 Ų | 33.9 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 2.1 | 172.5 | -70.6 | -70.9 | 0 | 0 | 0 | 113.8 | V697 A698 Y699 D703 | V697-N701 PolarHBondContact O-N 3.24Å; V697-N701 PolarHBondContact O-ND2 3.13Å; A698-N701 CarbonylContact O-C 3.58Å; A698-N701 PolarHBondContact O-N 2.86Å; A698-N701 VanDerWaalsContact O-N 3.1Å; Y699-N701 PolarHBondContact O-N 3.11Å; N701-D703 PolarHBondContact O-N 2.9Å |
| 702 | K | 85 | Confident | 90.2 | Very high | 154 Ų | 154 | 37.2 Ų | 37.2 | 67% | 0.67 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 21.1 | -172.9 | -52 | 178.7 | -177.8 | 176.8 | 0 | 114.5 | A698 Y699 Y704 | A698-K702 PolarHBondContact O-N 3.05Å; A698-K702 VanDerWaalsContact O-N 3.16Å; Y699-K702 WeakPolarHBondContact O-CA 3.33Å; Y699-K702 PolarHBondContact O-N 3.26Å; K702-Y704 VanDerWaalsContact C-N 3.28Å; K702-Y704 HydrophobicContact CB-CE2 4.23Å; K702-Y704 WeakPolarHBondContact O-CD2 3.23Å; K702-Y704 PolarHBondContact O-N 3Å |
| 703 | D | 87 | Confident | 90.3 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 19% | 0.193 | 17% | 0.17 | C | C | . | . | trans | -82.7 | 74 | 177.1 | -168.9 | -23.7 | 0 | 0 | 0 | 110.2 | A698 N701 Y705 H706 V707 | A698-D703 HydrophobicContact CB-CB 4.31Å; A698-D703 PolarHBondContact O-N 2.76Å; N701-D703 PolarHBondContact O-N 2.9Å; D703-Y705 PolarHBondContact O-N 3.16Å; D703-Y705 VanDerWaalsContact O-N 3.16Å; D703-Y705 WeakPolarHBondContact OD1-CB 3.29Å; D703-Y705 PolarHBondContact OD1-N 2.84Å; D703-H706 VanDerWaalsContact CG-ND1 3.26Å; D703-H706 PolarHBondContact O-N 3.07Å; D703-H706 IonicContact OD1-CG 3.57Å; D703-H706 PolarHBondContact OD1-N 2.89Å; D703-H706 VanDerWaalsContact OD1-N 3.11Å; D703-H706 IonicContact OD1-ND1 3.78Å; D703-H706 PolarHBondContact OD1-ND1 3.25Å; D703-H706 IonicContact OD2-CE1 2.76Å; D703-H706 IonicContact OD2-CG 2.79Å; D703-H706 IonicContact OD2-ND1 2.58Å; D703-H706 PolarHBondContact OD2-ND1 2.92Å; D703-V707 WeakPolarHBondContact O-CG2 3.36Å; D703-V707 PolarHBondContact O-N 2.93Å | ||
| 704 | Y | 91.7 | Very high | 90.6 | Very high | 45 Ų | 45 | 35.5 Ų | 35.5 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.4 | -15.3 | -177.5 | -50.8 | -55.2 | 0 | 0 | 0 | 113.4 | K702 V707 I708 F737 Q741 | K702-Y704 VanDerWaalsContact C-N 3.28Å; K702-Y704 HydrophobicContact CB-CE2 4.23Å; K702-Y704 WeakPolarHBondContact O-CD2 3.23Å; K702-Y704 PolarHBondContact O-N 3Å; Y704-V707 HydrophobicContact CD1-CG2 4.43Å; Y704-I708 WeakPolarHBondContact O-CG1 3.43Å; Y704-I708 PolarHBondContact O-N 3.35Å; Y704-F737 HydrophobicContact CE1-CD1 4.04Å; Y704-F737 AromaticContact CE1-CE1 3.74Å; Y704-F737 HydrophobicContact CE1-CE1 3.74Å; Y704-F737 AromaticContact CZ-CE1 4Å; Y704-Q741 HydrophobicContact CD1-CB 4.18Å; Y704-Q741 HydrophobicContact CD1-CG 4.07Å; Y704-Q741 HydrophobicContact CD2-CB 3.37Å; Y704-Q741 HydrophobicContact CD2-CG 3.78Å; Y704-Q741 HydrophobicContact CE1-CB 4.49Å; Y704-Q741 HydrophobicContact CE1-CG 3.94Å; Y704-Q741 HydrophobicContact CE2-CB 3.71Å; Y704-Q741 HydrophobicContact CE2-CG 3.61Å; Y704-Q741 HydrophobicContact CG-CB 3.62Å; Y704-Q741 HydrophobicContact CG-CG 4Å |
| 705 | Y | 92.1 | Very high | 90.8 | Very high | 57 Ų | 57 | 37 Ų | 37 | 22% | 0.224 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -53 | 171.8 | 171.5 | -100.5 | 0 | 0 | 0 | 110.6 | D703 I708 L709 N794 R796 | D703-Y705 PolarHBondContact O-N 3.16Å; D703-Y705 VanDerWaalsContact O-N 3.16Å; D703-Y705 WeakPolarHBondContact OD1-CB 3.29Å; D703-Y705 PolarHBondContact OD1-N 2.84Å; Y705-I708 PolarHBondContact O-N 3.15Å; Y705-L709 HydrophobicContact CD1-CD1 4.29Å; Y705-L709 HydrophobicContact CE1-CD1 3.78Å; Y705-L709 HydrophobicContact CE2-CD1 4.41Å; Y705-L709 PolarHBondContact O-N 3.24Å; Y705-N794 WeakPolarHBondContact CA-OD1 3.5Å; Y705-N794 HydrophobicContact CD2-CB 4.49Å; Y705-N794 WeakPolarHBondContact CD2-ND2 3.4Å; Y705-N794 WeakPolarHBondContact CD2-O 3.47Å; Y705-N794 WeakPolarHBondContact CD2-OD1 3.34Å; Y705-N794 WeakPolarHBondContact CE2-O 3.41Å; Y705-N794 PolarHBondContact O-ND2 3.35Å; Y705-N794 VanDerWaalsContact O-ND2 3.15Å; Y705-R796 HydrophobicContact CD1-CB 4.46Å; Y705-R796 HydrophobicContact CD1-CG 4.22Å; Y705-R796 HydrophobicContact CD2-CB 4.08Å; Y705-R796 HydrophobicContact CE1-CB 4.47Å; Y705-R796 HydrophobicContact CE1-CG 4.26Å; Y705-R796 HydrophobicContact CE2-CB 4.11Å; Y705-R796 HydrophobicContact CG-CB 4.28Å; Y705-R796 HydrophobicContact CG-CG 4.46Å |
| 706 | H | 92.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.4 | -29.7 | 176.1 | -72.5 | 114.7 | 0 | 0 | 0 | 113.9 | L659 Q662 D663 A698 D703 I708 L709 W710 | L659-H706 HydrophobicContact CD2-CB 3.89Å; Q662-H706 PolarHBondContact OE1-CD2 2.97Å; D663-H706 IonicContact OD1-CE1 2.7Å; D663-H706 PolarHBondContact OD1-CE1 3.4Å; D663-H706 IonicContact OD1-NE2 3.56Å; A698-H706 HydrophobicContact CB-CB 3.7Å; D703-H706 VanDerWaalsContact CG-ND1 3.26Å; D703-H706 PolarHBondContact O-N 3.07Å; D703-H706 IonicContact OD1-CG 3.57Å; D703-H706 PolarHBondContact OD1-N 2.89Å; D703-H706 VanDerWaalsContact OD1-N 3.11Å; D703-H706 IonicContact OD1-ND1 3.78Å; D703-H706 PolarHBondContact OD1-ND1 3.25Å; D703-H706 IonicContact OD2-CE1 2.76Å; D703-H706 IonicContact OD2-CG 2.79Å; D703-H706 IonicContact OD2-ND1 2.58Å; D703-H706 PolarHBondContact OD2-ND1 2.92Å; H706-I708 VanDerWaalsContact C-N 3.3Å; H706-I708 PolarHBondContact O-N 2.62Å; H706-L709 PolarHBondContact O-N 3.11Å; H706-W710 PolarHBondContact O-N 3.13Å |
| 707 | V | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.6 | -46.7 | 172.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | A698 D703 Y704 M711 Y734 | A698-V707 HydrophobicContact CB-CG2 3.86Å; D703-V707 WeakPolarHBondContact O-CG2 3.36Å; D703-V707 PolarHBondContact O-N 2.93Å; Y704-V707 HydrophobicContact CD1-CG2 4.43Å; V707-M711 HydrophobicContact CG1-CG 4.16Å; V707-M711 WeakPolarHBondContact O-CB 3.4Å; V707-M711 WeakPolarHBondContact O-CG 3.38Å; V707-M711 PolarHBondContact O-N 3.34Å; V707-Y734 WeakPolarHBondContact CG1-O 3.39Å |
| 708 | I | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | -178.5 | -68.4 | 171.9 | 0 | 0 | 0 | 110.4 | Y704 Y705 H706 Q712 L735 L739 Q742 | Y704-I708 WeakPolarHBondContact O-CG1 3.43Å; Y704-I708 PolarHBondContact O-N 3.35Å; Y705-I708 PolarHBondContact O-N 3.15Å; H706-I708 VanDerWaalsContact C-N 3.3Å; H706-I708 PolarHBondContact O-N 2.62Å; I708-Q712 HydrophobicContact CG2-CG 4.43Å; I708-Q712 VanDerWaalsContact O-CB 3.24Å; I708-Q712 WeakPolarHBondContact O-CB 3.37Å; I708-Q712 WeakPolarHBondContact O-CG 3.35Å; I708-Q712 PolarHBondContact O-N 2.92Å; I708-L735 HydrophobicContact CB-CD1 4.39Å; I708-L735 HydrophobicContact CG1-CD1 4.41Å; I708-L735 HydrophobicContact CG2-CD1 4.28Å; I708-L739 HydrophobicContact CD1-CD2 3.96Å; I708-L739 HydrophobicContact CD1-CG 4.19Å; I708-L739 HydrophobicContact CG1-CD2 4.33Å; I708-L739 HydrophobicContact CG1-CG 4.16Å; I708-L739 HydrophobicContact CG2-CD2 4.33Å; I708-Q742 HydrophobicContact CD1-CB 3.85Å; I708-Q742 HydrophobicContact CD1-CG 3.71Å |
| 709 | L | 94.7 | Very high | 91.2 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -57 | -178.6 | -65.7 | 175.2 | 0 | 0 | 0 | 111.9 | T669 Y705 H706 M711 Q712 E713 | T669-L709 HydrophobicContact CG2-CB 4.16Å; Y705-L709 HydrophobicContact CD1-CD1 4.29Å; Y705-L709 HydrophobicContact CE1-CD1 3.78Å; Y705-L709 HydrophobicContact CE2-CD1 4.41Å; Y705-L709 PolarHBondContact O-N 3.24Å; H706-L709 PolarHBondContact O-N 3.11Å; L709-M711 PolarHBondContact O-N 3.26Å; L709-Q712 PolarHBondContact O-N 3.05Å; L709-E713 PolarHBondContact O-N 2.92Å |
| 710 | W | 95.6 | Very high | 91 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.7 | -32.5 | -174.8 | -75.8 | 104.9 | 0 | 0 | 0 | 113.6 | L659 T669 L672 F686 C691 L694 H706 E713 A714 | L659-W710 VanDerWaalsContact CD2-NE1 3.31Å; T669-W710 HydrophobicContact CG2-CD2 3.78Å; T669-W710 HydrophobicContact CG2-CE3 3.85Å; T669-W710 HydrophobicContact CG2-CG 4.32Å; T669-W710 HydrophobicContact CG2-CH2 4.2Å; T669-W710 HydrophobicContact CG2-CZ2 4.12Å; T669-W710 HydrophobicContact CG2-CZ3 4.06Å; L672-W710 HydrophobicContact CB-CH2 3.9Å; L672-W710 HydrophobicContact CB-CZ2 4.38Å; L672-W710 HydrophobicContact CD1-CH2 4.32Å; L672-W710 HydrophobicContact CD1-CZ2 3.96Å; F686-W710 HydrophobicContact CD2-CZ3 4.2Å; F686-W710 HydrophobicContact CE2-CH2 4.47Å; F686-W710 HydrophobicContact CE2-CZ3 4.5Å; C691-W710 HydrophobicContact CB-CE3 3.99Å; C691-W710 HydrophobicContact CB-CZ3 4.48Å; L694-W710 HydrophobicContact CB-CB 4.45Å; L694-W710 HydrophobicContact CB-CD2 3.87Å; L694-W710 HydrophobicContact CB-CE3 4.26Å; L694-W710 HydrophobicContact CB-CG 3.94Å; L694-W710 HydrophobicContact CD1-CD2 3.88Å; L694-W710 HydrophobicContact CD1-CE3 3.89Å; L694-W710 HydrophobicContact CD1-CH2 3.58Å; L694-W710 HydrophobicContact CD1-CZ2 3.57Å; L694-W710 HydrophobicContact CD1-CZ3 3.74Å; H706-W710 PolarHBondContact O-N 3.13Å; W710-E713 PolarHBondContact O-N 3.41Å; W710-A714 VanDerWaalsContact O-CB 3.29Å; W710-A714 WeakPolarHBondContact O-CB 3.32Å; W710-A714 PolarHBondContact O-N 3.03Å |
| 711 | M | 96 | Very high | 91 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.7 | -26.1 | 174.6 | -64.1 | -79.2 | 169.2 | 0 | 0 | 112.6 | F692 G695 R696 V707 L709 M715 I731 Y734 L735 | F692-M711 HydrophobicContact CD2-CE 3.47Å; F692-M711 VanDerWaalsContact CD2-CE 3.47Å; F692-M711 HydrophobicContact CD2-SD 3.55Å; F692-M711 VanDerWaalsContact CD2-SD 3.55Å; F692-M711 HydrophobicContact CE2-CE 3.67Å; F692-M711 HydrophobicContact CE2-SD 4.02Å; F692-M711 HydrophobicContact CG-CE 4.2Å; F692-M711 WeakPolarHBondContact O-CE 3.42Å; G695-M711 VanDerWaalsContact C-CE 3.47Å; R696-M711 HydrophobicContact CB-CE 4.49Å; V707-M711 HydrophobicContact CG1-CG 4.16Å; V707-M711 WeakPolarHBondContact O-CB 3.4Å; V707-M711 WeakPolarHBondContact O-CG 3.38Å; V707-M711 PolarHBondContact O-N 3.34Å; L709-M711 PolarHBondContact O-N 3.26Å; M711-M715 WeakPolarHBondContact O-CB 3.48Å; M711-M715 PolarHBondContact O-N 3.07Å; M711-I731 HydrophobicContact CB-CG2 4.23Å; M711-I731 VanDerWaalsContact O-CG2 3.27Å; M711-I731 WeakPolarHBondContact O-CG2 3.28Å; M711-I731 HydrophobicContact SD-CB 4.5Å; M711-I731 HydrophobicContact SD-CG2 4.2Å; M711-Y734 HydrophobicContact CE-CD1 4.12Å; M711-Y734 HydrophobicContact CE-CD2 4.34Å; M711-Y734 HydrophobicContact CE-CG 3.76Å; M711-Y734 HydrophobicContact SD-CG 4.46Å; M711-L735 HydrophobicContact CB-CB 3.8Å; M711-L735 HydrophobicContact CB-CD1 4.08Å; M711-L735 HydrophobicContact CB-CG 4.32Å |
| 712 | Q | 94.5 | Very high | 91.3 | Very high | 70 Ų | 70 | 50 Ų | 50 | 33% | 0.327 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.7 | -44.1 | 168.7 | -79.8 | 175.7 | -25.9 | 0 | 0 | 111.1 | I708 L709 M715 N716 L735 | I708-Q712 HydrophobicContact CG2-CG 4.43Å; I708-Q712 VanDerWaalsContact O-CB 3.24Å; I708-Q712 WeakPolarHBondContact O-CB 3.37Å; I708-Q712 WeakPolarHBondContact O-CG 3.35Å; I708-Q712 PolarHBondContact O-N 2.92Å; L709-Q712 PolarHBondContact O-N 3.05Å; Q712-M715 PolarHBondContact O-N 3.19Å; Q712-N716 WeakPolarHBondContact O-CB 3.35Å; Q712-N716 PolarHBondContact O-N 3.25Å; Q712-L735 HydrophobicContact CG-CD1 3.91Å; Q712-L735 HydrophobicContact CG-CD2 4Å |
| 713 | E | 94.5 | Very high | 91.2 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.8 | -35 | 177.6 | -175.8 | 60.1 | -178.4 | 0 | 0 | 112.5 | T669 H670 S673 L709 W710 M715 N716 R717 | T669-E713 HydrophobicContact CG2-CB 4.11Å; H670-E713 IonicContact CE1-OE1 3.22Å; H670-E713 IonicContact CG-OE1 2.64Å; H670-E713 IonicContact ND1-OE1 2.85Å; H670-E713 PolarHBondContact ND1-OE1 3.08Å; H670-E713 IonicContact ND1-OE2 3.33Å; H670-E713 PolarHBondContact ND1-OE2 3.32Å; S673-E713 WeakPolarHBondContact CB-OE1 3.43Å; S673-E713 PolarHBondContact OG-OE1 3.47Å; L709-E713 PolarHBondContact O-N 2.92Å; W710-E713 PolarHBondContact O-N 3.41Å; E713-M715 VanDerWaalsContact C-N 3.33Å; E713-M715 PolarHBondContact O-N 3Å; E713-N716 WeakPolarHBondContact O-CB 3.44Å; E713-N716 PolarHBondContact O-N 2.87Å; E713-N716 PolarHBondContact OE2-ND2 3.09Å; E713-R717 WeakPolarHBondContact O-CB 3.23Å; E713-R717 WeakPolarHBondContact O-CG 3.47Å; E713-R717 PolarHBondContact O-N 3.33Å; E713-R717 IonicContact OE1-CZ 3.6Å; E713-R717 IonicContact OE1-NE 3.4Å; E713-R717 PolarHBondContact OE1-NE 2.93Å; E713-R717 IonicContact OE1-NH2 3.48Å |
| 714 | A | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A688 C691 F692 W710 Y718 I731 | A688-A714 WeakPolarHBondContact O-CB 3.42Å; C691-A714 HydrophobicContact CB-CB 3.72Å; F692-A714 HydrophobicContact CB-CB 4.24Å; W710-A714 VanDerWaalsContact O-CB 3.29Å; W710-A714 WeakPolarHBondContact O-CB 3.32Å; W710-A714 PolarHBondContact O-N 3.03Å; A714-Y718 VanDerWaalsContact O-CB 3.24Å; A714-Y718 WeakPolarHBondContact O-CB 3.47Å; A714-Y718 PolarHBondContact O-N 2.83Å; A714-I731 HydrophobicContact CB-CD1 4.03Å; A714-I731 HydrophobicContact CB-CG1 4.17Å; A714-I731 HydrophobicContact CB-CG2 4.41Å |
| 715 | M | 93.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 16% | 0.163 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 176 | -169.3 | 171.8 | 60.7 | 0 | 0 | 112.2 | M711 Q712 E713 E719 L728 I731 L732 L735 R754 | M711-M715 WeakPolarHBondContact O-CB 3.48Å; M711-M715 PolarHBondContact O-N 3.07Å; Q712-M715 PolarHBondContact O-N 3.19Å; E713-M715 VanDerWaalsContact C-N 3.33Å; E713-M715 PolarHBondContact O-N 3Å; M715-E719 WeakPolarHBondContact O-CG 3.49Å; M715-E719 PolarHBondContact O-N 2.99Å; M715-L728 HydrophobicContact CG-CD1 3.9Å; M715-L728 HydrophobicContact SD-CD1 4.34Å; M715-I731 HydrophobicContact CB-CG2 3.94Å; M715-L732 HydrophobicContact SD-CD2 4.12Å; M715-L735 HydrophobicContact CE-CD2 4Å; M715-L735 HydrophobicContact SD-CD2 4.41Å; M715-R754 PolarHBondContact SD-NH1 3Å |
| 716 | N | 92.7 | Very high | 90.5 | Very high | 65 Ų | 65 | 48.2 Ų | 48.2 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.3 | -176.9 | 32.1 | 0 | 0 | 0 | 111.2 | Q712 E713 E719 H720 | Q712-N716 WeakPolarHBondContact O-CB 3.35Å; Q712-N716 PolarHBondContact O-N 3.25Å; E713-N716 WeakPolarHBondContact O-CB 3.44Å; E713-N716 PolarHBondContact O-N 2.87Å; E713-N716 PolarHBondContact OE2-ND2 3.09Å; N716-E719 PolarHBondContact O-N 3.11Å; N716-H720 PolarHBondContact O-ND1 3.09Å |
| 717 | R | 91.3 | Very high | 90.4 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.8 | -39.8 | 178.1 | -70.8 | -177.4 | 170.7 | -92.2 | -11.8 | 112.8 | S673 Q674 E685 F686 A688 E713 E719 H720 E721 | S673-R717 VanDerWaalsContact CB-NE 3.34Å; S673-R717 PolarHBondContact O-NH2 2.97Å; S673-R717 PolarHBondContact OG-NE 2.87Å; S673-R717 PolarHBondContact OG-NH2 3.25Å; Q674-R717 VanDerWaalsContact CG-NH2 3.31Å; E685-R717 IonicContact OE2-CZ 3.83Å; E685-R717 VanDerWaalsContact OE2-CZ 3.26Å; E685-R717 IonicContact OE2-NH1 3.43Å; E685-R717 PolarHBondContact OE2-NH1 3.02Å; E685-R717 IonicContact OE2-NH2 2.7Å; E685-R717 PolarHBondContact OE2-NH2 2.92Å; F686-R717 VanDerWaalsContact O-CD 3.29Å; F686-R717 WeakPolarHBondContact O-CD 3.38Å; F686-R717 PolarHBondContact O-NH1 3.28Å; A688-R717 HydrophobicContact CB-CB 3.96Å; E713-R717 WeakPolarHBondContact O-CB 3.23Å; E713-R717 WeakPolarHBondContact O-CG 3.47Å; E713-R717 PolarHBondContact O-N 3.33Å; E713-R717 IonicContact OE1-CZ 3.6Å; E713-R717 IonicContact OE1-NE 3.4Å; E713-R717 PolarHBondContact OE1-NE 2.93Å; E713-R717 IonicContact OE1-NH2 3.48Å; R717-E719 PolarHBondContact O-N 3.17Å; R717-H720 CarbonylContact O-C 3.6Å; R717-H720 PolarHBondContact O-N 2.9Å; R717-E721 VanDerWaalsContact O-CB 3.26Å; R717-E721 WeakPolarHBondContact O-CB 3.42Å; R717-E721 PolarHBondContact O-N 3.13Å |
| 718 | Y | 91.8 | Very high | 90.3 | Very high | 45 Ų | 45 | 52 Ų | 52 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.2 | -36.2 | 173 | 174.3 | -77.8 | 0 | 0 | 0 | 112.2 | A714 H720 P724 V726 L728 I731 R758 | A714-Y718 VanDerWaalsContact O-CB 3.24Å; A714-Y718 WeakPolarHBondContact O-CB 3.47Å; A714-Y718 PolarHBondContact O-N 2.83Å; Y718-H720 PolarHBondContact O-N 2.9Å; Y718-P724 HydrophobicContact CD2-CB 3.56Å; Y718-P724 HydrophobicContact CD2-CG 4.36Å; Y718-P724 HydrophobicContact CE2-CB 3.52Å; Y718-P724 HydrophobicContact CE2-CG 3.8Å; Y718-P724 HydrophobicContact CG-CB 4.37Å; Y718-V726 VanDerWaalsContact CD2-O 3.27Å; Y718-V726 WeakPolarHBondContact CD2-O 3.38Å; Y718-V726 VanDerWaalsContact CE2-O 3.24Å; Y718-V726 WeakPolarHBondContact CE2-O 3.4Å; Y718-L728 HydrophobicContact CD1-CB 4.17Å; Y718-L728 HydrophobicContact CD1-CD1 4.25Å; Y718-L728 HydrophobicContact CD1-CD2 4.41Å; Y718-L728 HydrophobicContact CD2-CB 4.18Å; Y718-L728 HydrophobicContact CE1-CB 3.82Å; Y718-L728 HydrophobicContact CE1-CD2 3.95Å; Y718-L728 HydrophobicContact CE1-CG 4.31Å; Y718-L728 HydrophobicContact CE2-CB 3.78Å; Y718-L728 HydrophobicContact CG-CB 4.39Å; Y718-I731 HydrophobicContact CD2-CD1 4.43Å; Y718-I731 HydrophobicContact CG-CD1 4.48Å; Y718-R758 PolarHBondContact OH-NH2 3.01Å |
| 719 | E | 88.9 | Confident | 90.1 | Very high | 108 Ų | 108 | 52.5 Ų | 52.5 | 51% | 0.505 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.2 | 179.2 | -68.5 | -179.5 | -179.2 | 0 | 0 | 113.6 | M715 N716 R717 R754 | M715-E719 WeakPolarHBondContact O-CG 3.49Å; M715-E719 PolarHBondContact O-N 2.99Å; N716-E719 PolarHBondContact O-N 3.11Å; R717-E719 PolarHBondContact O-N 3.17Å; E719-R754 IonicContact OE1-CZ 3.45Å; E719-R754 IonicContact OE1-NH1 3.64Å; E719-R754 PolarHBondContact OE1-NH1 3.17Å; E719-R754 IonicContact OE1-NH2 3.58Å; E719-R754 PolarHBondContact OE1-NH2 2.68Å |
| 720 | H | 87.2 | Confident | 90 | Very high | 153 Ų | 153 | 54.3 Ų | 54.3 | 71% | 0.708 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -3.8 | 177.7 | -62.7 | 89.6 | 0 | 0 | 0 | 114.6 | N716 R717 Y718 | N716-H720 PolarHBondContact O-ND1 3.09Å; R717-H720 CarbonylContact O-C 3.6Å; R717-H720 PolarHBondContact O-N 2.9Å; Y718-H720 PolarHBondContact O-N 2.9Å |
| 721 | E | 84.9 | Confident | 89.9 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | trans | -103.1 | 124.1 | -172.4 | -172.2 | -177.9 | -114 | 0 | 0 | 111.1 | T687 A688 R717 P724 T725 | T687-E721 VanDerWaalsContact CA-OE1 3.23Å; T687-E721 WeakPolarHBondContact CA-OE1 3.31Å; T687-E721 WeakPolarHBondContact CB-OE1 3.36Å; A688-E721 VanDerWaalsContact CB-OE2 3.23Å; A688-E721 WeakPolarHBondContact CB-OE2 3.34Å; A688-E721 PolarHBondContact N-OE1 3.19Å; R717-E721 VanDerWaalsContact O-CB 3.26Å; R717-E721 WeakPolarHBondContact O-CB 3.42Å; R717-E721 PolarHBondContact O-N 3.13Å; E721-P724 WeakPolarHBondContact O-CD 3.44Å; E721-P724 WeakPolarHBondContact OE2-CA 3.09Å; E721-T725 VanDerWaalsContact CD-OG1 3.28Å; E721-T725 PolarHBondContact OE1-OG1 3Å; E721-T725 WeakPolarHBondContact OE2-CB 3.17Å; E721-T725 PolarHBondContact OE2-N 3.16Å; E721-T725 PolarHBondContact OE2-OG1 2.91Å | ||
| 722 | D | 82.1 | Confident | 89.8 | Confident | 159 Ų | 159 | 54.2 Ų | 54.2 | 85% | 0.85 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -132.2 | 114.5 | 179.8 | -173.9 | 23.3 | 0 | 0 | 0 | 111.5 | ||
| 723 | P | 83.2 | Confident | 89.7 | Confident | 103 Ų | 103 | 52.2 Ų | 52.2 | 67% | 0.669 | 28% | 0.275 | S | S | * | . | S | Bend | cis | -74.5 | 146.7 | -6.4 | 32.3 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 724 | P | 82.5 | Confident | 89.7 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | trans | -66.6 | 139.1 | 177.9 | 26.9 | -34.5 | 0 | 0 | 0 | 112.1 | Y718 E721 | Y718-P724 HydrophobicContact CD2-CB 3.56Å; Y718-P724 HydrophobicContact CD2-CG 4.36Å; Y718-P724 HydrophobicContact CE2-CB 3.52Å; Y718-P724 HydrophobicContact CE2-CG 3.8Å; Y718-P724 HydrophobicContact CG-CB 4.37Å; E721-P724 WeakPolarHBondContact O-CD 3.44Å; E721-P724 WeakPolarHBondContact OE2-CA 3.09Å | ||
| 725 | T | 85 | Confident | 89.7 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 45% | 0.454 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -86.9 | -4.7 | -172.6 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | T687 A688 G689 E721 | T687-T725 HydrophobicContact CG2-CG2 4.11Å; A688-T725 PolarHBondContact N-OG1 3.42Å; G689-T725 PolarHBondContact N-OG1 3.1Å; E721-T725 VanDerWaalsContact CD-OG1 3.28Å; E721-T725 PolarHBondContact OE1-OG1 3Å; E721-T725 WeakPolarHBondContact OE2-CB 3.17Å; E721-T725 PolarHBondContact OE2-N 3.16Å; E721-T725 PolarHBondContact OE2-OG1 2.91Å |
| 726 | V | 87.1 | Confident | 89.7 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -149.3 | 153.7 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 110.4 | A688 F692 Y718 I731 | A688-V726 HydrophobicContact CB-CG1 3.84Å; F692-V726 HydrophobicContact CB-CG1 4.34Å; F692-V726 HydrophobicContact CB-CG2 4.05Å; F692-V726 HydrophobicContact CD1-CG2 3.87Å; F692-V726 HydrophobicContact CD2-CG2 3.98Å; F692-V726 HydrophobicContact CE1-CG2 4.31Å; F692-V726 HydrophobicContact CE2-CG2 4.42Å; F692-V726 HydrophobicContact CG-CG2 3.69Å; Y718-V726 VanDerWaalsContact CD2-O 3.27Å; Y718-V726 WeakPolarHBondContact CD2-O 3.38Å; Y718-V726 VanDerWaalsContact CE2-O 3.24Å; Y718-V726 WeakPolarHBondContact CE2-O 3.4Å; V726-I731 HydrophobicContact CG1-CD1 3.65Å; V726-I731 HydrophobicContact CG1-CG1 4.22Å; V726-I731 HydrophobicContact CG2-CG1 4.34Å |
| 727 | D | 90.1 | Very high | 89.7 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | trans | -79.1 | 128.2 | 174.2 | -161.1 | -38.7 | 0 | 0 | 0 | 111.1 | S729 D730 I731 R758 | D727-S729 PolarHBondContact O-N 3.41Å; D727-S729 VanDerWaalsContact O-N 3.12Å; D727-S729 WeakPolarHBondContact OD1-CB 3.35Å; D727-S729 PolarHBondContact OD1-N 3.4Å; D727-S729 PolarHBondContact OD1-OG 2.91Å; D727-D730 PolarHBondContact O-N 3.22Å; D727-I731 PolarHBondContact O-N 2.9Å; D727-R758 IonicContact OD1-CZ 3.52Å; D727-R758 VanDerWaalsContact OD1-CZ 3.3Å; D727-R758 IonicContact OD1-NE 2.96Å; D727-R758 PolarHBondContact OD1-NE 2.85Å; D727-R758 VanDerWaalsContact OD1-NE 3.11Å; D727-R758 IonicContact OD1-NH2 3.96Å; D727-R758 PolarHBondContact OD1-NH2 3.32Å; D727-R758 IonicContact OD2-NH2 2.89Å | ||
| 728 | L | 91.4 | Very high | 89.8 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.3 | -28.7 | 170 | 179.6 | 64.1 | 0 | 0 | 0 | 113.2 | M715 Y718 D730 I731 L732 | M715-L728 HydrophobicContact CG-CD1 3.9Å; M715-L728 HydrophobicContact SD-CD1 4.34Å; Y718-L728 HydrophobicContact CD1-CB 4.17Å; Y718-L728 HydrophobicContact CD1-CD1 4.25Å; Y718-L728 HydrophobicContact CD1-CD2 4.41Å; Y718-L728 HydrophobicContact CD2-CB 4.18Å; Y718-L728 HydrophobicContact CE1-CB 3.82Å; Y718-L728 HydrophobicContact CE1-CD2 3.95Å; Y718-L728 HydrophobicContact CE1-CG 4.31Å; Y718-L728 HydrophobicContact CE2-CB 3.78Å; Y718-L728 HydrophobicContact CG-CB 4.39Å; L728-D730 VanDerWaalsContact C-N 3.33Å; L728-D730 PolarHBondContact O-N 3.04Å; L728-I731 PolarHBondContact O-N 3.37Å; L728-L732 HydrophobicContact CD1-CD1 4.25Å; L728-L732 HydrophobicContact CD1-CG 4.04Å; L728-L732 HydrophobicContact CD2-CD1 4.42Å; L728-L732 HydrophobicContact CG-CD1 3.84Å; L728-L732 HydrophobicContact CG-CG 4.13Å; L728-L732 WeakPolarHBondContact O-CB 3.41Å; L728-L732 WeakPolarHBondContact O-CG 3.34Å; L728-L732 PolarHBondContact O-N 3.24Å |
| 729 | S | 90.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 8% | 0.077 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 173.9 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | D727 L732 E733 L755 R758 | D727-S729 PolarHBondContact O-N 3.41Å; D727-S729 VanDerWaalsContact O-N 3.12Å; D727-S729 WeakPolarHBondContact OD1-CB 3.35Å; D727-S729 PolarHBondContact OD1-N 3.4Å; D727-S729 PolarHBondContact OD1-OG 2.91Å; S729-L732 PolarHBondContact O-N 3.32Å; S729-E733 PolarHBondContact O-N 3.12Å; S729-E733 VanDerWaalsContact O-N 3.16Å; S729-L755 WeakPolarHBondContact O-CD1 3.37Å; S729-R758 VanDerWaalsContact OG-CD 3.27Å; S729-R758 WeakPolarHBondContact OG-CD 3.28Å; S729-R758 PolarHBondContact OG-NE 3.24Å |
| 730 | D | 91.6 | Very high | 90.1 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 40% | 0.401 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.5 | -49.4 | 178.9 | -63.9 | -44.9 | 0 | 0 | 0 | 110.1 | F692 D727 L728 L732 E733 Y734 | F692-D730 HydrophobicContact CE2-CB 3.6Å; F692-D730 HydrophobicContact CZ-CB 3.73Å; D727-D730 PolarHBondContact O-N 3.22Å; L728-D730 VanDerWaalsContact C-N 3.33Å; L728-D730 PolarHBondContact O-N 3.04Å; D730-L732 PolarHBondContact O-N 3.45Å; D730-E733 PolarHBondContact O-N 3.43Å; D730-E733 VanDerWaalsContact O-N 3.12Å; D730-Y734 WeakPolarHBondContact O-CD2 3.48Å; D730-Y734 PolarHBondContact O-N 3.25Å |
| 731 | I | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.7 | -44.7 | 177.2 | -61.3 | 164.3 | 0 | 0 | 0 | 110.8 | F692 M711 A714 M715 Y718 V726 D727 L728 E733 L735 | F692-I731 HydrophobicContact CD2-CG1 3.86Å; M711-I731 HydrophobicContact CB-CG2 4.23Å; M711-I731 VanDerWaalsContact O-CG2 3.27Å; M711-I731 WeakPolarHBondContact O-CG2 3.28Å; M711-I731 HydrophobicContact SD-CB 4.5Å; M711-I731 HydrophobicContact SD-CG2 4.2Å; A714-I731 HydrophobicContact CB-CD1 4.03Å; A714-I731 HydrophobicContact CB-CG1 4.17Å; A714-I731 HydrophobicContact CB-CG2 4.41Å; M715-I731 HydrophobicContact CB-CG2 3.94Å; Y718-I731 HydrophobicContact CD2-CD1 4.43Å; Y718-I731 HydrophobicContact CG-CD1 4.48Å; V726-I731 HydrophobicContact CG1-CD1 3.65Å; V726-I731 HydrophobicContact CG1-CG1 4.22Å; V726-I731 HydrophobicContact CG2-CG1 4.34Å; D727-I731 PolarHBondContact O-N 2.9Å; L728-I731 PolarHBondContact O-N 3.37Å; I731-E733 PolarHBondContact O-N 2.92Å; I731-L735 WeakPolarHBondContact O-CB 3.49Å; I731-L735 PolarHBondContact O-N 3.41Å |
| 732 | L | 94.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.1 | -35.7 | -179.1 | -72.9 | 171.5 | 0 | 0 | 0 | 113.2 | M715 L728 S729 D730 A736 L751 R754 L755 | M715-L732 HydrophobicContact SD-CD2 4.12Å; L728-L732 HydrophobicContact CD1-CD1 4.25Å; L728-L732 HydrophobicContact CD1-CG 4.04Å; L728-L732 HydrophobicContact CD2-CD1 4.42Å; L728-L732 HydrophobicContact CG-CD1 3.84Å; L728-L732 HydrophobicContact CG-CG 4.13Å; L728-L732 WeakPolarHBondContact O-CB 3.41Å; L728-L732 WeakPolarHBondContact O-CG 3.34Å; L728-L732 PolarHBondContact O-N 3.24Å; S729-L732 PolarHBondContact O-N 3.32Å; D730-L732 PolarHBondContact O-N 3.45Å; L732-A736 WeakPolarHBondContact O-CB 3.38Å; L732-A736 PolarHBondContact O-N 2.71Å; L732-L751 HydrophobicContact CD2-CB 4.26Å; L732-L751 HydrophobicContact CD2-CD2 3.83Å; L732-L751 HydrophobicContact CD2-CG 4.47Å; L732-R754 HydrophobicContact CD1-CB 4.11Å; L732-R754 HydrophobicContact CD1-CG 3.78Å; L732-R754 HydrophobicContact CD2-CB 4.39Å; L732-R754 HydrophobicContact CD2-CG 4.36Å; L732-L755 HydrophobicContact CB-CB 4.17Å; L732-L755 HydrophobicContact CB-CD1 4.44Å; L732-L755 HydrophobicContact CD1-CB 4.48Å |
| 733 | E | 92.2 | Very high | 90.9 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.2 | -51.2 | 177.1 | -174.8 | 172.3 | -133.6 | 0 | 0 | 111.4 | S729 D730 I731 A736 F737 L755 H762 R764 | S729-E733 PolarHBondContact O-N 3.12Å; S729-E733 VanDerWaalsContact O-N 3.16Å; D730-E733 PolarHBondContact O-N 3.43Å; D730-E733 VanDerWaalsContact O-N 3.12Å; I731-E733 PolarHBondContact O-N 2.92Å; E733-A736 PolarHBondContact O-N 3.48Å; E733-F737 PolarHBondContact O-N 3.49Å; E733-F737 VanDerWaalsContact O-N 3.12Å; E733-L755 HydrophobicContact CB-CD2 3.88Å; E733-L755 HydrophobicContact CG-CD2 4.42Å; E733-H762 IonicContact OE1-CE1 2.68Å; E733-H762 PolarHBondContact OE1-CE1 3.49Å; E733-H762 IonicContact OE1-NE2 3.87Å; E733-H762 PolarHBondContact OE1-NE2 2.7Å; E733-H762 IonicContact OE2-NE2 3.88Å; E733-R764 IonicContact OE1-CZ 3.29Å; E733-R764 IonicContact OE1-NE 3.77Å; E733-R764 PolarHBondContact OE1-NE 2.85Å; E733-R764 IonicContact OE1-NH2 2.8Å; E733-R764 PolarHBondContact OE1-NH2 3.13Å; E733-R764 IonicContact OE2-CZ 3.27Å; E733-R764 IonicContact OE2-NE 2.73Å; E733-R764 IonicContact OE2-NH2 3.19Å; E733-R764 PolarHBondContact OE2-NH2 3.31Å |
| 734 | Y | 94.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 32.3 Ų | 32.3 | 18% | 0.18 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | -179.5 | -79.5 | -92.9 | 0 | 0 | 0 | 111.6 | F692 R696 Y699 V707 M711 D730 F737 G738 | F692-Y734 AromaticContact CE2-CD2 3.88Å; F692-Y734 HydrophobicContact CE2-CD2 3.88Å; F692-Y734 HydrophobicContact CE2-CE2 4.22Å; F692-Y734 HydrophobicContact CZ-CD2 4.17Å; F692-Y734 HydrophobicContact CZ-CE2 4.02Å; R696-Y734 HydrophobicContact CG-CE1 3.95Å; Y699-Y734 HydrophobicContact CD1-CD1 4.04Å; Y699-Y734 AromaticContact CD1-CE1 3.59Å; Y699-Y734 HydrophobicContact CD1-CE1 3.59Å; Y699-Y734 AromaticContact CD2-CD1 3.48Å; Y699-Y734 HydrophobicContact CD2-CD1 3.48Å; Y699-Y734 VanDerWaalsContact CD2-CD1 3.48Å; Y699-Y734 AromaticContact CD2-CE1 3.91Å; Y699-Y734 HydrophobicContact CD2-CE1 3.91Å; Y699-Y734 HydrophobicContact CE1-CE1 4.04Å; Y699-Y734 HydrophobicContact CE2-CD1 4.02Å; Y699-Y734 HydrophobicContact CE2-CE1 4.3Å; Y699-Y734 AromaticContact CG-CD1 3.48Å; Y699-Y734 HydrophobicContact CG-CD1 3.48Å; Y699-Y734 VanDerWaalsContact CG-CD1 3.48Å; Y699-Y734 AromaticContact CG-CE1 3.53Å; Y699-Y734 HydrophobicContact CG-CE1 3.53Å; V707-Y734 WeakPolarHBondContact CG1-O 3.39Å; M711-Y734 HydrophobicContact CE-CD1 4.12Å; M711-Y734 HydrophobicContact CE-CD2 4.34Å; M711-Y734 HydrophobicContact CE-CG 3.76Å; M711-Y734 HydrophobicContact SD-CG 4.46Å; D730-Y734 WeakPolarHBondContact O-CD2 3.48Å; D730-Y734 PolarHBondContact O-N 3.25Å; Y734-F737 PolarHBondContact O-N 3.3Å; Y734-G738 PolarHBondContact O-N 3.11Å |
| 735 | L | 94.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.5 | -41.5 | 178.5 | -175.5 | 52.7 | 0 | 0 | 0 | 112.6 | I708 M711 Q712 M715 I731 F737 G738 L739 L751 | I708-L735 HydrophobicContact CB-CD1 4.39Å; I708-L735 HydrophobicContact CG1-CD1 4.41Å; I708-L735 HydrophobicContact CG2-CD1 4.28Å; M711-L735 HydrophobicContact CB-CB 3.8Å; M711-L735 HydrophobicContact CB-CD1 4.08Å; M711-L735 HydrophobicContact CB-CG 4.32Å; Q712-L735 HydrophobicContact CG-CD1 3.91Å; Q712-L735 HydrophobicContact CG-CD2 4Å; M715-L735 HydrophobicContact CE-CD2 4Å; M715-L735 HydrophobicContact SD-CD2 4.41Å; I731-L735 WeakPolarHBondContact O-CB 3.49Å; I731-L735 PolarHBondContact O-N 3.41Å; L735-F737 VanDerWaalsContact C-N 3.34Å; L735-F737 PolarHBondContact O-N 2.85Å; L735-G738 PolarHBondContact O-N 3.22Å; L735-L739 HydrophobicContact CD1-CD1 3.95Å; L735-L739 HydrophobicContact CD1-CG 4.17Å; L735-L739 HydrophobicContact CG-CD1 3.94Å; L735-L739 WeakPolarHBondContact O-CB 3.49Å; L735-L739 WeakPolarHBondContact O-CG 3.47Å; L735-L739 PolarHBondContact O-N 3.33Å; L735-L751 HydrophobicContact CB-CD1 4.13Å; L735-L751 HydrophobicContact CD2-CD1 3.65Å; L735-L751 HydrophobicContact CG-CD1 3.53Å |
| 736 | A | 93.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L732 E733 Y740 A748 L751 | L732-A736 WeakPolarHBondContact O-CB 3.38Å; L732-A736 PolarHBondContact O-N 2.71Å; E733-A736 PolarHBondContact O-N 3.48Å; A736-Y740 WeakPolarHBondContact O-CB 3.32Å; A736-Y740 PolarHBondContact O-N 3.4Å; A736-A748 VanDerWaalsContact O-CB 3.29Å; A736-A748 WeakPolarHBondContact O-CB 3.41Å; A736-L751 HydrophobicContact CB-CB 4.01Å |
| 737 | F | 93.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 31.6 Ų | 31.6 | 24% | 0.237 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 176.8 | -169.5 | -92 | 0 | 0 | 0 | 112.3 | Y699 Y704 E733 Y734 L735 L739 Y740 Q741 | Y699-F737 HydrophobicContact CD2-CD1 4.2Å; Y699-F737 HydrophobicContact CE2-CB 4.23Å; Y699-F737 AromaticContact CE2-CD1 3.42Å; Y699-F737 HydrophobicContact CE2-CD1 3.42Å; Y699-F737 VanDerWaalsContact CE2-CD1 3.42Å; Y699-F737 AromaticContact CE2-CE1 3.92Å; Y699-F737 HydrophobicContact CE2-CE1 3.92Å; Y699-F737 AromaticContact CE2-CG 3.97Å; Y699-F737 HydrophobicContact CE2-CG 3.97Å; Y704-F737 HydrophobicContact CE1-CD1 4.04Å; Y704-F737 AromaticContact CE1-CE1 3.74Å; Y704-F737 HydrophobicContact CE1-CE1 3.74Å; Y704-F737 AromaticContact CZ-CE1 4Å; E733-F737 PolarHBondContact O-N 3.49Å; E733-F737 VanDerWaalsContact O-N 3.12Å; Y734-F737 PolarHBondContact O-N 3.3Å; L735-F737 VanDerWaalsContact C-N 3.34Å; L735-F737 PolarHBondContact O-N 2.85Å; F737-L739 PolarHBondContact O-N 2.85Å; F737-Y740 HydrophobicContact CD2-CD1 4.49Å; F737-Y740 WeakPolarHBondContact O-CB 3.38Å; F737-Y740 PolarHBondContact O-N 3.33Å; F737-Q741 HydrophobicContact CD1-CG 3.84Å; F737-Q741 HydrophobicContact CE1-CG 3.62Å; F737-Q741 HydrophobicContact CZ-CG 4.2Å; F737-Q741 WeakPolarHBondContact O-CG 3.43Å; F737-Q741 PolarHBondContact O-N 3.01Å |
| 738 | G | 92.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y734 L735 Y740 Q741 Q742 | Y734-G738 PolarHBondContact O-N 3.11Å; L735-G738 PolarHBondContact O-N 3.22Å; G738-Y740 VanDerWaalsContact C-N 3.34Å; G738-Y740 PolarHBondContact O-N 3.15Å; G738-Q741 PolarHBondContact O-N 3Å; G738-Q742 PolarHBondContact O-N 3.16Å; G738-Q742 VanDerWaalsContact O-N 3.12Å |
| 739 | L | 93.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 174.9 | -81.4 | 164.6 | 0 | 0 | 0 | 112.5 | I708 L735 F737 Q742 G743 N744 R747 A748 L751 V792 | I708-L739 HydrophobicContact CD1-CD2 3.96Å; I708-L739 HydrophobicContact CD1-CG 4.19Å; I708-L739 HydrophobicContact CG1-CD2 4.33Å; I708-L739 HydrophobicContact CG1-CG 4.16Å; I708-L739 HydrophobicContact CG2-CD2 4.33Å; L735-L739 HydrophobicContact CD1-CD1 3.95Å; L735-L739 HydrophobicContact CD1-CG 4.17Å; L735-L739 HydrophobicContact CG-CD1 3.94Å; L735-L739 WeakPolarHBondContact O-CB 3.49Å; L735-L739 WeakPolarHBondContact O-CG 3.47Å; L735-L739 PolarHBondContact O-N 3.33Å; F737-L739 PolarHBondContact O-N 2.85Å; L739-Q742 CarbonylContact O-C 3.5Å; L739-Q742 PolarHBondContact O-N 3.28Å; L739-G743 PolarHBondContact O-N 2.84Å; L739-N744 HydrophobicContact CB-CB 4.05Å; L739-N744 HydrophobicContact CD2-CB 3.64Å; L739-N744 HydrophobicContact CG-CB 4.46Å; L739-N744 WeakPolarHBondContact O-CA 3.28Å; L739-N744 VanDerWaalsContact O-CB 3.28Å; L739-N744 WeakPolarHBondContact O-CB 3.39Å; L739-N744 PolarHBondContact O-N 2.99Å; L739-N744 PolarHBondContact O-ND2 3.14Å; L739-R747 HydrophobicContact CD1-CB 4.1Å; L739-R747 HydrophobicContact CD2-CB 4.44Å; L739-A748 HydrophobicContact CB-CB 4.31Å; L739-L751 HydrophobicContact CD1-CD1 3.52Å; L739-V792 HydrophobicContact CD2-CG1 3.91Å |
| 740 | Y | 93 | Very high | 92.2 | Very high | 54 Ų | 54 | 31 Ų | 31 | 21% | 0.212 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 175.9 | 158.2 | -111.7 | 0 | 0 | 0 | 112.3 | A736 F737 G738 Q742 G743 Y771 Y772 M775 | A736-Y740 WeakPolarHBondContact O-CB 3.32Å; A736-Y740 PolarHBondContact O-N 3.4Å; F737-Y740 HydrophobicContact CD2-CD1 4.49Å; F737-Y740 WeakPolarHBondContact O-CB 3.38Å; F737-Y740 PolarHBondContact O-N 3.33Å; G738-Y740 VanDerWaalsContact C-N 3.34Å; G738-Y740 PolarHBondContact O-N 3.15Å; Y740-Q742 VanDerWaalsContact C-N 3.25Å; Y740-Q742 PolarHBondContact O-N 3.48Å; Y740-G743 PolarHBondContact O-N 3.12Å; Y740-Y771 AromaticContact CE2-CE1 3.98Å; Y740-Y771 HydrophobicContact CE2-CE1 3.98Å; Y740-Y771 AromaticContact CZ-CE1 3.92Å; Y740-Y771 PolarHBondContact OH-OH 3.41Å; Y740-Y772 HydrophobicContact CD1-CE1 4.12Å; Y740-Y772 AromaticContact CD2-CD1 3.94Å; Y740-Y772 HydrophobicContact CD2-CD1 3.94Å; Y740-Y772 AromaticContact CD2-CE1 3.33Å; Y740-Y772 HydrophobicContact CD2-CE1 3.33Å; Y740-Y772 HydrophobicContact CE2-CD1 4.37Å; Y740-Y772 AromaticContact CE2-CE1 3.87Å; Y740-Y772 HydrophobicContact CE2-CE1 3.87Å; Y740-Y772 HydrophobicContact CG-CD1 4.46Å; Y740-Y772 AromaticContact CG-CE1 3.47Å; Y740-Y772 HydrophobicContact CG-CE1 3.47Å; Y740-Y772 VanDerWaalsContact CG-CE1 3.47Å; Y740-Y772 AromaticContact CG-CZ 3.89Å; Y740-M775 HydrophobicContact CD2-CE 4.1Å; Y740-M775 HydrophobicContact CE2-CE 3.76Å; Y740-M775 HydrophobicContact CE2-SD 4.41Å |
| 741 | Q | 91.7 | Very high | 92.3 | Very high | 76 Ų | 76 | 28.3 Ų | 28.3 | 36% | 0.355 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62.2 | -33.5 | 179.7 | -65.9 | -72.8 | -21.9 | 0 | 0 | 112.3 | Y704 F737 G738 G743 | Y704-Q741 HydrophobicContact CD1-CB 4.18Å; Y704-Q741 HydrophobicContact CD1-CG 4.07Å; Y704-Q741 HydrophobicContact CD2-CB 3.37Å; Y704-Q741 HydrophobicContact CD2-CG 3.78Å; Y704-Q741 HydrophobicContact CE1-CB 4.49Å; Y704-Q741 HydrophobicContact CE1-CG 3.94Å; Y704-Q741 HydrophobicContact CE2-CB 3.71Å; Y704-Q741 HydrophobicContact CE2-CG 3.61Å; Y704-Q741 HydrophobicContact CG-CB 3.62Å; Y704-Q741 HydrophobicContact CG-CG 4Å; F737-Q741 HydrophobicContact CD1-CG 3.84Å; F737-Q741 HydrophobicContact CE1-CG 3.62Å; F737-Q741 HydrophobicContact CZ-CG 4.2Å; F737-Q741 WeakPolarHBondContact O-CG 3.43Å; F737-Q741 PolarHBondContact O-N 3.01Å; G738-Q741 PolarHBondContact O-N 3Å; Q741-G743 VanDerWaalsContact C-N 3.26Å; Q741-G743 PolarHBondContact O-N 3.27Å |
| 742 | Q | 91 | Very high | 92.2 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 15% | 0.15 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 15.7 | 173.4 | -63.8 | -77.7 | 57.3 | 0 | 0 | 113.6 | I708 G738 L739 Y740 N744 N794 P795 | I708-Q742 HydrophobicContact CD1-CB 3.85Å; I708-Q742 HydrophobicContact CD1-CG 3.71Å; G738-Q742 PolarHBondContact O-N 3.16Å; G738-Q742 VanDerWaalsContact O-N 3.12Å; L739-Q742 CarbonylContact O-C 3.5Å; L739-Q742 PolarHBondContact O-N 3.28Å; Y740-Q742 VanDerWaalsContact C-N 3.25Å; Y740-Q742 PolarHBondContact O-N 3.48Å; Q742-N744 PolarHBondContact O-N 3.21Å; Q742-N744 PolarHBondContact O-ND2 3.05Å; Q742-N744 VanDerWaalsContact O-ND2 3.12Å; Q742-N794 PolarHBondContact NE2-OD1 2.89Å; Q742-P795 PolarHBondContact NE2-O 3.16Å |
| 743 | G | 89.5 | Confident | 92.1 | Very high | 54 Ų | 54 | 31.3 Ų | 31.3 | 56% | 0.557 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 6.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | L739 Y740 Q741 V745 | L739-G743 PolarHBondContact O-N 2.84Å; Y740-G743 PolarHBondContact O-N 3.12Å; Q741-G743 VanDerWaalsContact C-N 3.26Å; Q741-G743 PolarHBondContact O-N 3.27Å; G743-V745 PolarHBondContact O-N 2.81Å |
| 744 | N | 91.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | trans | -83.4 | 47.3 | -177 | -59 | -87.7 | 0 | 0 | 0 | 112.7 | L739 Q742 K746 R747 A748 V792 V793 | L739-N744 HydrophobicContact CB-CB 4.05Å; L739-N744 HydrophobicContact CD2-CB 3.64Å; L739-N744 HydrophobicContact CG-CB 4.46Å; L739-N744 WeakPolarHBondContact O-CA 3.28Å; L739-N744 VanDerWaalsContact O-CB 3.28Å; L739-N744 WeakPolarHBondContact O-CB 3.39Å; L739-N744 PolarHBondContact O-N 2.99Å; L739-N744 PolarHBondContact O-ND2 3.14Å; Q742-N744 PolarHBondContact O-N 3.21Å; Q742-N744 PolarHBondContact O-ND2 3.05Å; Q742-N744 VanDerWaalsContact O-ND2 3.12Å; N744-K746 VanDerWaalsContact C-N 3.3Å; N744-K746 PolarHBondContact O-N 3.12Å; N744-K746 VanDerWaalsContact O-N 3.11Å; N744-R747 HydrophobicContact CB-CB 4.37Å; N744-R747 PolarHBondContact O-N 3.35Å; N744-A748 PolarHBondContact O-N 3.41Å; N744-V792 WeakPolarHBondContact OD1-CA 3.16Å; N744-V793 PolarHBondContact ND2-O 2.94Å; N744-V793 PolarHBondContact OD1-N 2.85Å | ||
| 745 | V | 90.3 | Very high | 92.1 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -48.4 | -45.5 | -168.1 | -171.3 | 0 | 0 | 0 | 0 | 113.4 | G743 R747 A748 L749 Y772 M775 L776 | G743-V745 PolarHBondContact O-N 2.81Å; V745-R747 VanDerWaalsContact C-N 3.35Å; V745-R747 PolarHBondContact O-N 2.81Å; V745-A748 PolarHBondContact O-N 2.95Å; V745-L749 WeakPolarHBondContact O-CB 3.31Å; V745-L749 PolarHBondContact O-N 3.33Å; V745-Y772 HydrophobicContact CG1-CD1 4.42Å; V745-Y772 HydrophobicContact CG1-CG 4.47Å; V745-M775 HydrophobicContact CB-CE 4.12Å; V745-M775 HydrophobicContact CG1-CE 3.48Å; V745-M775 VanDerWaalsContact CG1-CE 3.48Å; V745-M775 HydrophobicContact CG2-CE 3.45Å; V745-M775 VanDerWaalsContact CG2-CE 3.45Å; V745-L776 HydrophobicContact CB-CD2 4.15Å; V745-L776 HydrophobicContact CG1-CD1 4.27Å; V745-L776 HydrophobicContact CG1-CD2 3.94Å; V745-L776 HydrophobicContact CG1-CG 3.81Å |
| 746 | K | 89.5 | Confident | 91.9 | Very high | 51 Ų | 51 | 36 Ų | 36 | 22% | 0.222 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 178.9 | -69.8 | -176.9 | 170.5 | -178.1 | 0 | 113.1 | N744 Q750 L776 L789 | N744-K746 VanDerWaalsContact C-N 3.3Å; N744-K746 PolarHBondContact O-N 3.12Å; N744-K746 VanDerWaalsContact O-N 3.11Å; K746-Q750 PolarHBondContact O-N 3.11Å; K746-Q750 VanDerWaalsContact O-N 3.12Å; K746-L776 HydrophobicContact CG-CD1 4.31Å; K746-L776 HydrophobicContact CG-CD2 3.96Å; K746-L789 HydrophobicContact CB-CD2 3.81Å |
| 747 | R | 90.7 | Very high | 91.8 | Very high | 66 Ų | 66 | 42 Ų | 42 | 25% | 0.249 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.1 | -40.4 | 178 | -66 | 179.6 | 176.6 | -110.5 | 2.2 | 110.8 | L739 N744 V745 L749 Q750 L751 L789 P790 | L739-R747 HydrophobicContact CD1-CB 4.1Å; L739-R747 HydrophobicContact CD2-CB 4.44Å; N744-R747 HydrophobicContact CB-CB 4.37Å; N744-R747 PolarHBondContact O-N 3.35Å; V745-R747 VanDerWaalsContact C-N 3.35Å; V745-R747 PolarHBondContact O-N 2.81Å; R747-L749 VanDerWaalsContact C-N 3.34Å; R747-L749 PolarHBondContact O-N 3.44Å; R747-Q750 PolarHBondContact O-N 2.94Å; R747-L751 WeakPolarHBondContact O-CG 3.34Å; R747-L751 PolarHBondContact O-N 2.97Å; R747-L789 HydrophobicContact CG-CD1 4.4Å; R747-L789 HydrophobicContact CG-CD2 4.22Å; R747-P790 PolarHBondContact NE-O 3.4Å; R747-P790 VanDerWaalsContact NE-O 3.09Å; R747-P790 PolarHBondContact NH2-O 3.33Å |
| 748 | A | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | A736 L739 N744 V745 L751 T752 Y772 | A736-A748 VanDerWaalsContact O-CB 3.29Å; A736-A748 WeakPolarHBondContact O-CB 3.41Å; L739-A748 HydrophobicContact CB-CB 4.31Å; N744-A748 PolarHBondContact O-N 3.41Å; V745-A748 PolarHBondContact O-N 2.95Å; A748-L751 PolarHBondContact O-N 3.35Å; A748-T752 WeakPolarHBondContact O-CB 3.34Å; A748-T752 PolarHBondContact O-N 2.99Å; A748-T752 PolarHBondContact O-OG1 3.27Å; A748-Y772 HydrophobicContact CB-CD2 4.32Å; A748-Y772 HydrophobicContact CB-CE2 3.95Å |
| 749 | L | 91.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 173.4 | 177.3 | 57.7 | 0 | 0 | 0 | 112.5 | V745 R747 T752 K753 I769 Y772 E773 L776 | V745-L749 WeakPolarHBondContact O-CB 3.31Å; V745-L749 PolarHBondContact O-N 3.33Å; R747-L749 VanDerWaalsContact C-N 3.34Å; R747-L749 PolarHBondContact O-N 3.44Å; L749-T752 PolarHBondContact O-N 3.41Å; L749-K753 HydrophobicContact CD1-CD 4.26Å; L749-K753 HydrophobicContact CD1-CG 4.43Å; L749-K753 HydrophobicContact CG-CD 4.42Å; L749-K753 WeakPolarHBondContact O-CG 3.33Å; L749-K753 PolarHBondContact O-N 3.45Å; L749-I769 HydrophobicContact CD1-CB 4.28Å; L749-I769 HydrophobicContact CD1-CG1 4.36Å; L749-I769 HydrophobicContact CD1-CG2 3.97Å; L749-Y772 HydrophobicContact CB-CD2 4.27Å; L749-E773 HydrophobicContact CD1-CG 3.85Å; L749-E773 HydrophobicContact CD2-CG 3.63Å; L749-E773 HydrophobicContact CG-CG 4.41Å; L749-L776 HydrophobicContact CD2-CD1 3.75Å |
| 750 | Q | 91.5 | Very high | 91.2 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 34% | 0.341 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 178.3 | -170.3 | -170.2 | 28.5 | 0 | 0 | 112.2 | K746 R747 K753 R754 | K746-Q750 PolarHBondContact O-N 3.11Å; K746-Q750 VanDerWaalsContact O-N 3.12Å; R747-Q750 PolarHBondContact O-N 2.94Å; Q750-K753 WeakPolarHBondContact O-CB 3.27Å; Q750-K753 PolarHBondContact O-N 3.09Å; Q750-R754 PolarHBondContact O-N 3.02Å |
| 751 | L | 92.4 | Very high | 90.9 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 178.1 | -64.3 | -175.3 | 0 | 0 | 0 | 112.3 | L732 L735 A736 L739 R747 A748 K753 R754 L755 | L732-L751 HydrophobicContact CD2-CB 4.26Å; L732-L751 HydrophobicContact CD2-CD2 3.83Å; L732-L751 HydrophobicContact CD2-CG 4.47Å; L735-L751 HydrophobicContact CB-CD1 4.13Å; L735-L751 HydrophobicContact CD2-CD1 3.65Å; L735-L751 HydrophobicContact CG-CD1 3.53Å; A736-L751 HydrophobicContact CB-CB 4.01Å; L739-L751 HydrophobicContact CD1-CD1 3.52Å; R747-L751 WeakPolarHBondContact O-CG 3.34Å; R747-L751 PolarHBondContact O-N 2.97Å; A748-L751 PolarHBondContact O-N 3.35Å; L751-K753 VanDerWaalsContact C-N 3.26Å; L751-K753 PolarHBondContact O-N 3.15Å; L751-R754 WeakPolarHBondContact O-CA 3.41Å; L751-R754 WeakPolarHBondContact O-CB 3.49Å; L751-R754 PolarHBondContact O-N 3.24Å; L751-R754 VanDerWaalsContact O-N 3.1Å; L751-L755 PolarHBondContact O-N 3.01Å |
| 752 | T | 92.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 174.3 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | A748 L749 Y756 A765 N768 I769 | A748-T752 WeakPolarHBondContact O-CB 3.34Å; A748-T752 PolarHBondContact O-N 2.99Å; A748-T752 PolarHBondContact O-OG1 3.27Å; L749-T752 PolarHBondContact O-N 3.41Å; T752-Y756 WeakPolarHBondContact O-CB 3.27Å; T752-Y756 PolarHBondContact O-N 3.4Å; T752-A765 HydrophobicContact CG2-CB 4.09Å; T752-A765 WeakPolarHBondContact CG2-O 3.38Å; T752-N768 HydrophobicContact CG2-CB 3.73Å; T752-I769 HydrophobicContact CG2-CD1 4.38Å; T752-I769 HydrophobicContact CG2-CG1 3.69Å |
| 753 | K | 92.7 | Very high | 90.3 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 27% | 0.274 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.8 | -39.9 | 168.9 | -74.1 | 174.6 | 176.1 | 173.3 | 0 | 112.2 | L749 Q750 L751 L755 Y756 N757 I769 E773 | L749-K753 HydrophobicContact CD1-CD 4.26Å; L749-K753 HydrophobicContact CD1-CG 4.43Å; L749-K753 HydrophobicContact CG-CD 4.42Å; L749-K753 WeakPolarHBondContact O-CG 3.33Å; L749-K753 PolarHBondContact O-N 3.45Å; Q750-K753 WeakPolarHBondContact O-CB 3.27Å; Q750-K753 PolarHBondContact O-N 3.09Å; L751-K753 VanDerWaalsContact C-N 3.26Å; L751-K753 PolarHBondContact O-N 3.15Å; K753-L755 VanDerWaalsContact C-N 3.32Å; K753-L755 PolarHBondContact O-N 3.12Å; K753-Y756 PolarHBondContact O-N 3.45Å; K753-N757 VanDerWaalsContact O-CB 3.31Å; K753-N757 WeakPolarHBondContact O-CB 3.28Å; K753-N757 PolarHBondContact O-N 3.35Å; K753-N757 PolarHBondContact O-ND2 3.46Å; K753-N757 PolarHBondContact O-OD1 3.35Å; K753-I769 HydrophobicContact CG-CD1 3.9Å; K753-I769 HydrophobicContact CG-CG1 4.05Å; K753-E773 VanDerWaalsContact CE-OE1 3.24Å; K753-E773 WeakPolarHBondContact CE-OE1 3.36Å; K753-E773 IonicContact NZ-OE1 2.78Å; K753-E773 PolarHBondContact NZ-OE1 3.22Å |
| 754 | R | 93.1 | Very high | 90.3 | Very high | 98 Ų | 98 | 58.9 Ų | 58.9 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 171.6 | -166.8 | 177.7 | 179.1 | -174.4 | 5.4 | 111 | M715 E719 L732 Q750 L751 R758 | M715-R754 PolarHBondContact SD-NH1 3Å; E719-R754 IonicContact OE1-CZ 3.45Å; E719-R754 IonicContact OE1-NH1 3.64Å; E719-R754 PolarHBondContact OE1-NH1 3.17Å; E719-R754 IonicContact OE1-NH2 3.58Å; E719-R754 PolarHBondContact OE1-NH2 2.68Å; L732-R754 HydrophobicContact CD1-CB 4.11Å; L732-R754 HydrophobicContact CD1-CG 3.78Å; L732-R754 HydrophobicContact CD2-CB 4.39Å; L732-R754 HydrophobicContact CD2-CG 4.36Å; Q750-R754 PolarHBondContact O-N 3.02Å; L751-R754 WeakPolarHBondContact O-CA 3.41Å; L751-R754 WeakPolarHBondContact O-CB 3.49Å; L751-R754 PolarHBondContact O-N 3.24Å; L751-R754 VanDerWaalsContact O-N 3.1Å; R754-R758 PolarHBondContact O-N 3.21Å; R754-R758 VanDerWaalsContact O-N 3.16Å |
| 755 | L | 92.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -52.1 | 175.8 | 179.1 | 57.7 | 0 | 0 | 0 | 112.3 | S729 L732 E733 L751 K753 N757 R758 Q759 A765 | S729-L755 WeakPolarHBondContact O-CD1 3.37Å; L732-L755 HydrophobicContact CB-CB 4.17Å; L732-L755 HydrophobicContact CB-CD1 4.44Å; L732-L755 HydrophobicContact CD1-CB 4.48Å; E733-L755 HydrophobicContact CB-CD2 3.88Å; E733-L755 HydrophobicContact CG-CD2 4.42Å; L751-L755 PolarHBondContact O-N 3.01Å; K753-L755 VanDerWaalsContact C-N 3.32Å; K753-L755 PolarHBondContact O-N 3.12Å; L755-N757 VanDerWaalsContact C-N 3.27Å; L755-N757 PolarHBondContact O-N 2.85Å; L755-R758 PolarHBondContact O-N 3.11Å; L755-Q759 PolarHBondContact O-N 3.45Å; L755-A765 HydrophobicContact CD2-CB 4.28Å; L755-A765 HydrophobicContact CG-CB 4.25Å |
| 756 | Y | 91.6 | Very high | 90.1 | Very high | 69 Ų | 69 | 64.3 Ų | 64.3 | 27% | 0.271 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.4 | -33.9 | 178.5 | -177.9 | -102.7 | 0 | 0 | 0 | 113 | T752 K753 R758 Q759 P760 A765 K766 I769 | T752-Y756 WeakPolarHBondContact O-CB 3.27Å; T752-Y756 PolarHBondContact O-N 3.4Å; K753-Y756 PolarHBondContact O-N 3.45Å; Y756-R758 VanDerWaalsContact C-N 3.35Å; Y756-Q759 CarbonylContact O-C 3.23Å; Y756-P760 HydrophobicContact CE2-CB 4.41Å; Y756-P760 VanDerWaalsContact CE2-O 3.31Å; Y756-P760 WeakPolarHBondContact CE2-O 3.46Å; Y756-P760 VanDerWaalsContact O-CA 3.25Å; Y756-P760 WeakPolarHBondContact O-CA 3.48Å; Y756-P760 WeakPolarHBondContact O-CG 3.49Å; Y756-P760 VanDerWaalsContact O-N 3.16Å; Y756-A765 HydrophobicContact CD2-CB 4.32Å; Y756-K766 HydrophobicContact CD2-CB 4.18Å; Y756-K766 HydrophobicContact CE2-CB 3.88Å; Y756-K766 HydrophobicContact CE2-CD 4.2Å; Y756-K766 HydrophobicContact CE2-CG 4.18Å; Y756-I769 HydrophobicContact CD1-CD1 4.25Å; Y756-I769 HydrophobicContact CG-CD1 3.91Å |
| 757 | N | 91.7 | Very high | 90.1 | Very high | 129 Ų | 129 | 64 Ų | 64 | 69% | 0.69 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -72.5 | -26.8 | 175.7 | -69 | -7.6 | 0 | 0 | 0 | 112.8 | K753 L755 | K753-N757 VanDerWaalsContact O-CB 3.31Å; K753-N757 WeakPolarHBondContact O-CB 3.28Å; K753-N757 PolarHBondContact O-N 3.35Å; K753-N757 PolarHBondContact O-ND2 3.46Å; K753-N757 PolarHBondContact O-OD1 3.35Å; L755-N757 VanDerWaalsContact C-N 3.27Å; L755-N757 PolarHBondContact O-N 2.85Å |
| 758 | R | 89.1 | Confident | 90.1 | Very high | 109 Ų | 109 | 63 Ų | 63 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -82.1 | -38.5 | 174.1 | -178 | 175.3 | 174.2 | 95.6 | -8.9 | 111.9 | Y718 D727 S729 R754 L755 Y756 | Y718-R758 PolarHBondContact OH-NH2 3.01Å; D727-R758 IonicContact OD1-CZ 3.52Å; D727-R758 VanDerWaalsContact OD1-CZ 3.3Å; D727-R758 IonicContact OD1-NE 2.96Å; D727-R758 PolarHBondContact OD1-NE 2.85Å; D727-R758 VanDerWaalsContact OD1-NE 3.11Å; D727-R758 IonicContact OD1-NH2 3.96Å; D727-R758 PolarHBondContact OD1-NH2 3.32Å; D727-R758 IonicContact OD2-NH2 2.89Å; S729-R758 VanDerWaalsContact OG-CD 3.27Å; S729-R758 WeakPolarHBondContact OG-CD 3.28Å; S729-R758 PolarHBondContact OG-NE 3.24Å; R754-R758 PolarHBondContact O-N 3.21Å; R754-R758 VanDerWaalsContact O-N 3.16Å; L755-R758 PolarHBondContact O-N 3.11Å; Y756-R758 VanDerWaalsContact C-N 3.35Å |
| 759 | Q | 88 | Confident | 90 | Very high | 57 Ų | 57 | 64.1 Ų | 64.1 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | trans | -138.4 | 86.8 | -178.2 | -169.2 | -177.3 | 1.5 | 0 | 0 | 110.7 | L755 Y756 D761 H762 | L755-Q759 PolarHBondContact O-N 3.45Å; Y756-Q759 CarbonylContact O-C 3.23Å; Q759-D761 WeakPolarHBondContact CG-OD1 3.5Å; Q759-D761 PolarHBondContact NE2-OD2 3.43Å; Q759-D761 VanDerWaalsContact NE2-OD2 3.09Å; Q759-D761 PolarHBondContact O-N 2.88Å; Q759-H762 HydrophobicContact CB-CB 4.03Å; Q759-H762 HydrophobicContact CG-CB 3.85Å; Q759-H762 WeakPolarHBondContact O-CB 3.45Å; Q759-H762 PolarHBondContact O-N 2.76Å; Q759-H762 VanDerWaalsContact O-N 3.09Å | ||
| 760 | P | 88.8 | Confident | 89.9 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.3 | -176.5 | -22.1 | 34.1 | 0 | 0 | 0 | 114.7 | Y756 H762 | Y756-P760 HydrophobicContact CE2-CB 4.41Å; Y756-P760 VanDerWaalsContact CE2-O 3.31Å; Y756-P760 WeakPolarHBondContact CE2-O 3.46Å; Y756-P760 VanDerWaalsContact O-CA 3.25Å; Y756-P760 WeakPolarHBondContact O-CA 3.48Å; Y756-P760 WeakPolarHBondContact O-CG 3.49Å; Y756-P760 VanDerWaalsContact O-N 3.16Å; P760-H762 VanDerWaalsContact C-N 3.33Å |
| 761 | D | 87.2 | Confident | 89.9 | Confident | 122 Ų | 122 | 72.4 Ų | 72.4 | 65% | 0.652 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -8.6 | 174.1 | 58.8 | -64.1 | 0 | 0 | 0 | 113.5 | Q759 | Q759-D761 WeakPolarHBondContact CG-OD1 3.5Å; Q759-D761 PolarHBondContact NE2-OD2 3.43Å; Q759-D761 VanDerWaalsContact NE2-OD2 3.09Å; Q759-D761 PolarHBondContact O-N 2.88Å |
| 762 | H | 86.1 | Confident | 89.8 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | trans | -59.2 | 120.5 | -173.6 | -179 | -95.7 | 0 | 0 | 0 | 112.2 | E733 Q759 P760 R764 A765 | E733-H762 IonicContact OE1-CE1 2.68Å; E733-H762 PolarHBondContact OE1-CE1 3.49Å; E733-H762 IonicContact OE1-NE2 3.87Å; E733-H762 PolarHBondContact OE1-NE2 2.7Å; E733-H762 IonicContact OE2-NE2 3.88Å; Q759-H762 HydrophobicContact CB-CB 4.03Å; Q759-H762 HydrophobicContact CG-CB 3.85Å; Q759-H762 WeakPolarHBondContact O-CB 3.45Å; Q759-H762 PolarHBondContact O-N 2.76Å; Q759-H762 VanDerWaalsContact O-N 3.09Å; P760-H762 VanDerWaalsContact C-N 3.33Å; H762-R764 VanDerWaalsContact C-N 3.27Å; H762-R764 PolarHBondContact O-N 2.98Å; H762-A765 HydrophobicContact CB-CB 4.13Å; H762-A765 WeakPolarHBondContact ND1-CB 3.4Å; H762-A765 PolarHBondContact ND1-N 3.32Å; H762-A765 PolarHBondContact O-N 3.39Å | ||
| 763 | P | 85 | Confident | 89.6 | Confident | 117 Ų | 117 | 75.2 Ų | 75.2 | 76% | 0.76 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26 | -158.6 | 23.2 | -35.2 | 0 | 0 | 0 | 114.5 | ||
| 764 | R | 88.3 | Confident | 89.4 | Confident | 126 Ų | 126 | 75.9 Ų | 75.9 | 48% | 0.475 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -23.6 | -179.3 | -64.7 | -169.8 | -77.6 | -152.9 | -4 | 114.2 | E733 H762 K766 G767 N768 | E733-R764 IonicContact OE1-CZ 3.29Å; E733-R764 IonicContact OE1-NE 3.77Å; E733-R764 PolarHBondContact OE1-NE 2.85Å; E733-R764 IonicContact OE1-NH2 2.8Å; E733-R764 PolarHBondContact OE1-NH2 3.13Å; E733-R764 IonicContact OE2-CZ 3.27Å; E733-R764 IonicContact OE2-NE 2.73Å; E733-R764 IonicContact OE2-NH2 3.19Å; E733-R764 PolarHBondContact OE2-NH2 3.31Å; H762-R764 VanDerWaalsContact C-N 3.27Å; H762-R764 PolarHBondContact O-N 2.98Å; R764-K766 PolarHBondContact O-N 3.45Å; R764-G767 PolarHBondContact O-N 2.73Å; R764-N768 WeakPolarHBondContact O-CB 3.31Å; R764-N768 PolarHBondContact O-N 2.89Å; R764-N768 PolarHBondContact O-OD1 2.9Å |
| 765 | A | 88.3 | Confident | 89.1 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.3 | -47 | -165.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T752 L755 Y756 H762 G767 N768 I769 | T752-A765 HydrophobicContact CG2-CB 4.09Å; T752-A765 WeakPolarHBondContact CG2-O 3.38Å; L755-A765 HydrophobicContact CD2-CB 4.28Å; L755-A765 HydrophobicContact CG-CB 4.25Å; Y756-A765 HydrophobicContact CD2-CB 4.32Å; H762-A765 HydrophobicContact CB-CB 4.13Å; H762-A765 WeakPolarHBondContact ND1-CB 3.4Å; H762-A765 PolarHBondContact ND1-N 3.32Å; H762-A765 PolarHBondContact O-N 3.39Å; A765-G767 VanDerWaalsContact C-N 3.29Å; A765-G767 PolarHBondContact O-N 3.26Å; A765-N768 PolarHBondContact O-N 3.1Å; A765-I769 WeakPolarHBondContact O-CG1 3.22Å; A765-I769 PolarHBondContact O-N 2.84Å |
| 766 | K | 89.4 | Confident | 88.9 | Confident | 142 Ų | 142 | 73.4 Ų | 73.4 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.8 | -34.4 | 178.6 | -170.2 | 173.7 | -177.7 | 172.7 | 0 | 113.3 | Y756 R764 | Y756-K766 HydrophobicContact CD2-CB 4.18Å; Y756-K766 HydrophobicContact CE2-CB 3.88Å; Y756-K766 HydrophobicContact CE2-CD 4.2Å; Y756-K766 HydrophobicContact CE2-CG 4.18Å; R764-K766 PolarHBondContact O-N 3.45Å |
| 767 | G | 89.2 | Confident | 88.6 | Confident | 45 Ų | 45 | 73.5 Ų | 73.5 | 46% | 0.464 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.5 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R764 A765 I769 K770 Y771 | R764-G767 PolarHBondContact O-N 2.73Å; A765-G767 VanDerWaalsContact C-N 3.29Å; A765-G767 PolarHBondContact O-N 3.26Å; G767-I769 PolarHBondContact O-N 2.99Å; G767-K770 PolarHBondContact O-N 3.49Å; G767-Y771 WeakPolarHBondContact O-CB 3.36Å; G767-Y771 PolarHBondContact O-N 2.85Å |
| 768 | N | 90.9 | Very high | 88.1 | Confident | 45 Ų | 45 | 75.5 Ų | 75.5 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 179.6 | -72 | 3.6 | 0 | 0 | 0 | 112.3 | T752 R764 A765 K770 Y771 Y772 | T752-N768 HydrophobicContact CG2-CB 3.73Å; R764-N768 WeakPolarHBondContact O-CB 3.31Å; R764-N768 PolarHBondContact O-N 2.89Å; R764-N768 PolarHBondContact O-OD1 2.9Å; A765-N768 PolarHBondContact O-N 3.1Å; N768-K770 PolarHBondContact O-N 3.03Å; N768-Y771 PolarHBondContact O-N 2.61Å; N768-Y772 HydrophobicContact CB-CE2 3.93Å; N768-Y772 WeakPolarHBondContact O-CD2 3.2Å; N768-Y772 VanDerWaalsContact O-CG 3.28Å; N768-Y772 PolarHBondContact O-N 3.38Å |
| 769 | I | 91.2 | Very high | 87.6 | Confident | 22 Ų | 22 | 75.4 Ų | 75.4 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -53.3 | -54.7 | 174.4 | -72.5 | 167.3 | 0 | 0 | 0 | 110.5 | L749 T752 K753 Y756 A765 G767 Y771 Y772 E773 | L749-I769 HydrophobicContact CD1-CB 4.28Å; L749-I769 HydrophobicContact CD1-CG1 4.36Å; L749-I769 HydrophobicContact CD1-CG2 3.97Å; T752-I769 HydrophobicContact CG2-CD1 4.38Å; T752-I769 HydrophobicContact CG2-CG1 3.69Å; K753-I769 HydrophobicContact CG-CD1 3.9Å; K753-I769 HydrophobicContact CG-CG1 4.05Å; Y756-I769 HydrophobicContact CD1-CD1 4.25Å; Y756-I769 HydrophobicContact CG-CD1 3.91Å; A765-I769 WeakPolarHBondContact O-CG1 3.22Å; A765-I769 PolarHBondContact O-N 2.84Å; G767-I769 PolarHBondContact O-N 2.99Å; I769-Y771 VanDerWaalsContact C-N 3.34Å; I769-Y771 PolarHBondContact O-N 2.86Å; I769-Y772 PolarHBondContact O-N 2.91Å; I769-E773 WeakPolarHBondContact O-CG 3.29Å; I769-E773 PolarHBondContact O-N 3.22Å |
| 770 | K | 89.9 | Confident | 87 | Confident | 132 Ų | 132 | 74.9 Ų | 74.9 | 57% | 0.574 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.3 | -44.6 | 179.3 | -179.5 | -179.9 | 173.7 | -175.8 | 0 | 111.4 | G767 N768 Y772 E773 D774 | G767-K770 PolarHBondContact O-N 3.49Å; N768-K770 PolarHBondContact O-N 3.03Å; K770-Y772 VanDerWaalsContact C-N 3.34Å; K770-Y772 PolarHBondContact O-N 2.98Å; K770-E773 PolarHBondContact O-N 3.44Å; K770-D774 WeakPolarHBondContact CE-OD2 3.18Å; K770-D774 WeakPolarHBondContact O-CB 3.26Å; K770-D774 PolarHBondContact O-N 2.91Å |
| 771 | Y | 90 | Very high | 86.3 | Confident | 121 Ų | 121 | 73.9 Ų | 73.9 | 48% | 0.475 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | -178.5 | -178.3 | -95.8 | 0 | 0 | 0 | 112.5 | Y740 G767 N768 I769 M775 | Y740-Y771 AromaticContact CE2-CE1 3.98Å; Y740-Y771 HydrophobicContact CE2-CE1 3.98Å; Y740-Y771 AromaticContact CZ-CE1 3.92Å; Y740-Y771 PolarHBondContact OH-OH 3.41Å; G767-Y771 WeakPolarHBondContact O-CB 3.36Å; G767-Y771 PolarHBondContact O-N 2.85Å; N768-Y771 PolarHBondContact O-N 2.61Å; I769-Y771 VanDerWaalsContact C-N 3.34Å; I769-Y771 PolarHBondContact O-N 2.86Å; Y771-M775 HydrophobicContact CE1-SD 4.49Å; Y771-M775 WeakPolarHBondContact O-CB 3.45Å; Y771-M775 PolarHBondContact O-N 3.34Å; Y771-M775 VanDerWaalsContact O-N 3.09Å |
| 772 | Y | 91.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 74.9 Ų | 74.9 | 1% | 0.012 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.5 | -35.1 | 176.7 | -57.4 | -35.9 | 0 | 0 | 0 | 112.6 | Y740 V745 A748 L749 N768 I769 K770 M775 L776 | Y740-Y772 HydrophobicContact CD1-CE1 4.12Å; Y740-Y772 AromaticContact CD2-CD1 3.94Å; Y740-Y772 HydrophobicContact CD2-CD1 3.94Å; Y740-Y772 AromaticContact CD2-CE1 3.33Å; Y740-Y772 HydrophobicContact CD2-CE1 3.33Å; Y740-Y772 HydrophobicContact CE2-CD1 4.37Å; Y740-Y772 AromaticContact CE2-CE1 3.87Å; Y740-Y772 HydrophobicContact CE2-CE1 3.87Å; Y740-Y772 HydrophobicContact CG-CD1 4.46Å; Y740-Y772 AromaticContact CG-CE1 3.47Å; Y740-Y772 HydrophobicContact CG-CE1 3.47Å; Y740-Y772 VanDerWaalsContact CG-CE1 3.47Å; Y740-Y772 AromaticContact CG-CZ 3.89Å; V745-Y772 HydrophobicContact CG1-CD1 4.42Å; V745-Y772 HydrophobicContact CG1-CG 4.47Å; A748-Y772 HydrophobicContact CB-CD2 4.32Å; A748-Y772 HydrophobicContact CB-CE2 3.95Å; L749-Y772 HydrophobicContact CB-CD2 4.27Å; N768-Y772 HydrophobicContact CB-CE2 3.93Å; N768-Y772 WeakPolarHBondContact O-CD2 3.2Å; N768-Y772 VanDerWaalsContact O-CG 3.28Å; N768-Y772 PolarHBondContact O-N 3.38Å; I769-Y772 PolarHBondContact O-N 2.91Å; K770-Y772 VanDerWaalsContact C-N 3.34Å; K770-Y772 PolarHBondContact O-N 2.98Å; Y772-M775 HydrophobicContact CD1-CE 4.4Å; Y772-M775 PolarHBondContact O-N 3.11Å; Y772-L776 VanDerWaalsContact O-CG 3.31Å; Y772-L776 WeakPolarHBondContact O-CG 3.29Å; Y772-L776 PolarHBondContact O-N 3.39Å |
| 773 | E | 88.7 | Confident | 83.8 | Confident | 77 Ų | 77 | 85.2 Ų | 85.2 | 36% | 0.36 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 174 | -71.8 | 177.4 | 161.5 | 0 | 0 | 111.8 | L749 K753 I769 K770 M775 L776 V777 | L749-E773 HydrophobicContact CD1-CG 3.85Å; L749-E773 HydrophobicContact CD2-CG 3.63Å; L749-E773 HydrophobicContact CG-CG 4.41Å; K753-E773 VanDerWaalsContact CE-OE1 3.24Å; K753-E773 WeakPolarHBondContact CE-OE1 3.36Å; K753-E773 IonicContact NZ-OE1 2.78Å; K753-E773 PolarHBondContact NZ-OE1 3.22Å; I769-E773 WeakPolarHBondContact O-CG 3.29Å; I769-E773 PolarHBondContact O-N 3.22Å; K770-E773 PolarHBondContact O-N 3.44Å; E773-M775 PolarHBondContact O-N 2.86Å; E773-L776 PolarHBondContact O-N 2.87Å; E773-V777 WeakPolarHBondContact O-CG2 3.27Å; E773-V777 PolarHBondContact O-N 2.85Å |
| 774 | D | 88.4 | Confident | 82.5 | Confident | 76 Ų | 76 | 81.4 Ų | 81.4 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.8 | -30.9 | 174 | -77.1 | -18.9 | 0 | 0 | 0 | 112.1 | K770 K778 | K770-D774 WeakPolarHBondContact CE-OD2 3.18Å; K770-D774 WeakPolarHBondContact O-CB 3.26Å; K770-D774 PolarHBondContact O-N 2.91Å; D774-K778 WeakPolarHBondContact O-CG 3.33Å; D774-K778 PolarHBondContact O-N 3.32Å |
| 775 | M | 87 | Confident | 81.1 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 20% | 0.202 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -78.4 | -46.7 | 177.4 | -167 | 167.7 | 63.2 | 0 | 0 | 112.1 | Y740 V745 Y771 Y772 E773 V777 K778 D779 | Y740-M775 HydrophobicContact CD2-CE 4.1Å; Y740-M775 HydrophobicContact CE2-CE 3.76Å; Y740-M775 HydrophobicContact CE2-SD 4.41Å; V745-M775 HydrophobicContact CB-CE 4.12Å; V745-M775 HydrophobicContact CG1-CE 3.48Å; V745-M775 VanDerWaalsContact CG1-CE 3.48Å; V745-M775 HydrophobicContact CG2-CE 3.45Å; V745-M775 VanDerWaalsContact CG2-CE 3.45Å; Y771-M775 HydrophobicContact CE1-SD 4.49Å; Y771-M775 WeakPolarHBondContact O-CB 3.45Å; Y771-M775 PolarHBondContact O-N 3.34Å; Y771-M775 VanDerWaalsContact O-N 3.09Å; Y772-M775 HydrophobicContact CD1-CE 4.4Å; Y772-M775 PolarHBondContact O-N 3.11Å; E773-M775 PolarHBondContact O-N 2.86Å; M775-V777 PolarHBondContact O-N 2.82Å; M775-K778 WeakPolarHBondContact O-CB 3.09Å; M775-K778 PolarHBondContact O-N 3.29Å; M775-D779 PolarHBondContact O-N 2.98Å; M775-D779 VanDerWaalsContact O-N 3.15Å |
| 776 | L | 86.1 | Confident | 79.8 | Confident | 9 Ų | 9 | 82 Ų | 82 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58 | -35 | 174.2 | -72.5 | 169.6 | 0 | 0 | 0 | 112.1 | V745 K746 L749 Y772 E773 D779 G780 I781 | V745-L776 HydrophobicContact CB-CD2 4.15Å; V745-L776 HydrophobicContact CG1-CD1 4.27Å; V745-L776 HydrophobicContact CG1-CD2 3.94Å; V745-L776 HydrophobicContact CG1-CG 3.81Å; K746-L776 HydrophobicContact CG-CD1 4.31Å; K746-L776 HydrophobicContact CG-CD2 3.96Å; L749-L776 HydrophobicContact CD2-CD1 3.75Å; Y772-L776 VanDerWaalsContact O-CG 3.31Å; Y772-L776 WeakPolarHBondContact O-CG 3.29Å; Y772-L776 PolarHBondContact O-N 3.39Å; E773-L776 PolarHBondContact O-N 2.87Å; L776-D779 PolarHBondContact O-N 3.17Å; L776-G780 PolarHBondContact O-N 2.55Å; L776-I781 HydrophobicContact CB-CB 4.32Å; L776-I781 HydrophobicContact CD2-CD1 3.95Å; L776-I781 WeakPolarHBondContact O-CA 3.15Å; L776-I781 WeakPolarHBondContact O-CB 3.41Å; L776-I781 PolarHBondContact O-N 2.96Å |
| 777 | V | 85.4 | Confident | 78.5 | Confident | 72 Ų | 72 | 84.3 Ų | 84.3 | 44% | 0.436 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.6 | -34.5 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 112.6 | E773 M775 D779 G780 | E773-V777 WeakPolarHBondContact O-CG2 3.27Å; E773-V777 PolarHBondContact O-N 2.85Å; M775-V777 PolarHBondContact O-N 2.82Å; V777-D779 VanDerWaalsContact C-N 3.34Å; V777-G780 PolarHBondContact O-N 3.47Å |
| 778 | K | 82.4 | Confident | 77.7 | Confident | 170 Ų | 170 | 87.7 Ų | 87.7 | 74% | 0.739 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.3 | -35 | 174.3 | -72.2 | 165.5 | -175.9 | 169.5 | 0 | 112.1 | D774 M775 G780 | D774-K778 WeakPolarHBondContact O-CG 3.33Å; D774-K778 PolarHBondContact O-N 3.32Å; M775-K778 WeakPolarHBondContact O-CB 3.09Å; M775-K778 PolarHBondContact O-N 3.29Å; K778-G780 PolarHBondContact O-N 3.32Å |
| 779 | D | 78.8 | Confident | 76.9 | Confident | 107 Ų | 107 | 87.8 Ų | 87.8 | 57% | 0.572 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 10.2 | 174.7 | -58.2 | -23.2 | 0 | 0 | 0 | 112.8 | M775 L776 V777 I781 | M775-D779 PolarHBondContact O-N 2.98Å; M775-D779 VanDerWaalsContact O-N 3.15Å; L776-D779 PolarHBondContact O-N 3.17Å; V777-D779 VanDerWaalsContact C-N 3.34Å; D779-I781 VanDerWaalsContact C-N 3.3Å; D779-I781 HydrophobicContact CB-CD1 4.49Å; D779-I781 HydrophobicContact CB-CG1 4.44Å; D779-I781 PolarHBondContact O-N 3.29Å |
| 780 | G | 75 | Confident | 76.4 | Confident | 46 Ų | 46 | 89.8 Ų | 89.8 | 47% | 0.474 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 3.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L776 V777 K778 H782 | L776-G780 PolarHBondContact O-N 2.55Å; V777-G780 PolarHBondContact O-N 3.47Å; K778-G780 PolarHBondContact O-N 3.32Å; G780-H782 VanDerWaalsContact C-N 3.29Å; G780-H782 PolarHBondContact O-CD2 3.42Å; G780-H782 PolarHBondContact O-N 2.84Å |
| 781 | I | 74.1 | Confident | 76.1 | Confident | 58 Ų | 58 | 88.6 Ų | 88.6 | 30% | 0.297 | 45% | 0.452 | S | S | . | . | trans | -86.8 | 68.4 | -175.5 | -49.8 | 177.5 | 0 | 0 | 0 | 109.7 | L776 D779 R783 | L776-I781 HydrophobicContact CB-CB 4.32Å; L776-I781 HydrophobicContact CD2-CD1 3.95Å; L776-I781 WeakPolarHBondContact O-CA 3.15Å; L776-I781 WeakPolarHBondContact O-CB 3.41Å; L776-I781 PolarHBondContact O-N 2.96Å; D779-I781 VanDerWaalsContact C-N 3.3Å; D779-I781 HydrophobicContact CB-CD1 4.49Å; D779-I781 HydrophobicContact CB-CG1 4.44Å; D779-I781 PolarHBondContact O-N 3.29Å; I781-R783 PolarHBondContact O-N 3.06Å; I781-R783 VanDerWaalsContact O-N 3.12Å | ||
| 782 | H | 61.8 | Low | 75.9 | Confident | 143 Ų | 143 | 85.3 Ų | 85.3 | 66% | 0.662 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -64.5 | -14.1 | -177.4 | -63 | -58.2 | 0 | 0 | 0 | 115.2 | G780 | G780-H782 VanDerWaalsContact C-N 3.29Å; G780-H782 PolarHBondContact O-CD2 3.42Å; G780-H782 PolarHBondContact O-N 2.84Å |
| 783 | R | 59.7 | Low | 75.7 | Confident | 236 Ų | 236 | 89.5 Ų | 89.5 | 89% | 0.891 | 47% | 0.47 | S | S | * | . | trans | -143.6 | 106.4 | 168.6 | -71 | -172.8 | 176 | 170.3 | -1.4 | 110.1 | I781 | I781-R783 PolarHBondContact O-N 3.06Å; I781-R783 VanDerWaalsContact O-N 3.12Å | ||
| 784 | S | 56.2 | Low | 75.8 | Confident | 37 Ų | 37 | 87.5 Ų | 87.5 | 26% | 0.259 | 46% | 0.462 | S | S | . | . | trans | -79.4 | 122.4 | 161.5 | -169.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 785 | S | 59.4 | Low | 75.6 | Confident | 57 Ų | 57 | 87.3 Ų | 87.3 | 40% | 0.399 | 46% | 0.464 | S | S | . | . | trans | -87.3 | 129.6 | 163.9 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | F787 N788 | S785-F787 PolarHBondContact O-N 3.07Å; S785-N788 PolarHBondContact O-N 3.01Å | ||
| 786 | D | 61 | Low | 75.4 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 44% | 0.439 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.9 | -176.3 | -59.6 | -48.8 | 0 | 0 | 0 | 113.2 | ||
| 787 | F | 62.6 | Low | 74.7 | Confident | 191 Ų | 191 | 92.2 Ų | 92.2 | 84% | 0.838 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -22.8 | 179.6 | -55.5 | -74.7 | 0 | 0 | 0 | 114.6 | S785 | S785-F787 PolarHBondContact O-N 3.07Š|
| 788 | N | 70.9 | Confident | 73.6 | Confident | 117 Ų | 117 | 92.5 Ų | 92.5 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | trans | -109.9 | 71.3 | -177.4 | -80.3 | -5.9 | 0 | 0 | 0 | 111.5 | S785 | S785-N788 PolarHBondContact O-N 3.01Š| ||
| 789 | L | 75.5 | Confident | 72.6 | Confident | 47 Ų | 47 | 87.1 Ų | 87.1 | 25% | 0.246 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 133.5 | 173.8 | -60.6 | 169.6 | 0 | 0 | 0 | 110.2 | K746 R747 | K746-L789 HydrophobicContact CB-CD2 3.81Å; R747-L789 HydrophobicContact CG-CD1 4.4Å; R747-L789 HydrophobicContact CG-CD2 4.22Å |
| 790 | P | 80.5 | Confident | 71.3 | Confident | 63 Ų | 63 | 90.3 Ų | 90.3 | 41% | 0.409 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 164.2 | 172.4 | 29.5 | -35.1 | 0 | 0 | 0 | 111.4 | R747 | R747-P790 PolarHBondContact NE-O 3.4Å; R747-P790 VanDerWaalsContact NE-O 3.09Å; R747-P790 PolarHBondContact NH2-O 3.33Å |
| 791 | P | 83.6 | Confident | 70.2 | Confident | 108 Ų | 108 | 92.2 Ų | 92.2 | 70% | 0.701 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 151.4 | 163.4 | -24.5 | 34.9 | 0 | 0 | 0 | 111.4 | V793 | P791-V793 PolarHBondContact O-N 3.42Š|
| 792 | V | 85.2 | Confident | 69.8 | Low | 52 Ų | 52 | 90.5 Ų | 90.5 | 32% | 0.315 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -71 | 121.6 | 176.6 | -174 | 0 | 0 | 0 | 0 | 108.8 | L739 N744 N794 | L739-V792 HydrophobicContact CD2-CG1 3.91Å; N744-V792 WeakPolarHBondContact OD1-CA 3.16Å; V792-N794 HydrophobicContact CG1-CB 4.16Å; V792-N794 PolarHBondContact O-N 2.95Å |
| 793 | V | 87.4 | Confident | 69.9 | Low | 91 Ų | 91 | 89 Ų | 89 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | trans | -88.4 | 102.1 | 169.4 | 174.9 | 0 | 0 | 0 | 0 | 106.6 | N744 P791 | N744-V793 PolarHBondContact ND2-O 2.94Å; N744-V793 PolarHBondContact OD1-N 2.85Å; P791-V793 PolarHBondContact O-N 3.42Å | ||
| 794 | N | 89.9 | Confident | 70.6 | Confident | 35 Ų | 35 | 79 Ų | 79 | 19% | 0.187 | 46% | 0.459 | C | S | . | . | trans | -124.7 | 71.9 | 178.7 | -166.5 | 19.4 | 0 | 0 | 0 | 111.3 | Y705 Q742 V792 | Y705-N794 WeakPolarHBondContact CA-OD1 3.5Å; Y705-N794 HydrophobicContact CD2-CB 4.49Å; Y705-N794 WeakPolarHBondContact CD2-ND2 3.4Å; Y705-N794 WeakPolarHBondContact CD2-O 3.47Å; Y705-N794 WeakPolarHBondContact CD2-OD1 3.34Å; Y705-N794 WeakPolarHBondContact CE2-O 3.41Å; Y705-N794 PolarHBondContact O-ND2 3.35Å; Y705-N794 VanDerWaalsContact O-ND2 3.15Å; Q742-N794 PolarHBondContact NE2-OD1 2.89Å; V792-N794 HydrophobicContact CG1-CB 4.16Å; V792-N794 PolarHBondContact O-N 2.95Å | ||
| 795 | P | 85.5 | Confident | 71.6 | Confident | 71 Ų | 71 | 79.9 Ų | 79.9 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 129.9 | 178.9 | 29.9 | -34.4 | 0 | 0 | 0 | 110.8 | Q742 | Q742-P795 PolarHBondContact NE2-O 3.16Š|
| 796 | R | 81.6 | Confident | 72.7 | Confident | 82 Ų | 82 | 81 Ų | 81 | 31% | 0.309 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 134.5 | 169.7 | -171.6 | 176.8 | 177.5 | -137.4 | -0.7 | 109.4 | D663 Y705 A798 R805 E809 | D663-R796 VanDerWaalsContact CG-CZ 3.5Å; D663-R796 PolarHBondContact O-NH2 2.76Å; D663-R796 IonicContact OD1-CZ 3.52Å; D663-R796 IonicContact OD1-NE 2.75Å; D663-R796 PolarHBondContact OD1-NE 3.23Å; D663-R796 IonicContact OD1-NH2 3.33Å; D663-R796 PolarHBondContact OD1-NH2 2.96Å; D663-R796 IonicContact OD2-CZ 3.47Å; D663-R796 IonicContact OD2-NE 3.8Å; D663-R796 PolarHBondContact OD2-NE 3.46Å; D663-R796 IonicContact OD2-NH2 2.78Å; D663-R796 PolarHBondContact OD2-NH2 2.91Å; Y705-R796 HydrophobicContact CD1-CB 4.46Å; Y705-R796 HydrophobicContact CD1-CG 4.22Å; Y705-R796 HydrophobicContact CD2-CB 4.08Å; Y705-R796 HydrophobicContact CE1-CB 4.47Å; Y705-R796 HydrophobicContact CE1-CG 4.26Å; Y705-R796 HydrophobicContact CE2-CB 4.11Å; Y705-R796 HydrophobicContact CG-CB 4.28Å; Y705-R796 HydrophobicContact CG-CG 4.46Å; R796-A798 PolarHBondContact O-N 3.45Å; R796-R805 VanDerWaalsContact NH2-CZ 3.34Å; R796-E809 IonicContact CZ-OE1 3.72Å; R796-E809 IonicContact CZ-OE2 3.63Å; R796-E809 IonicContact NH1-OE1 3.69Å; R796-E809 IonicContact NH1-OE2 2.72Å; R796-E809 PolarHBondContact NH1-OE2 2.94Å; R796-E809 IonicContact NH2-OE1 2.82Å; R796-E809 PolarHBondContact NH2-OE1 2.77Å; R796-E809 IonicContact NH2-OE2 3.2Å; R796-E809 PolarHBondContact NH2-OE2 3.25Å |
| 797 | P | 72.4 | Confident | 73.8 | Confident | 72 Ų | 72 | 79 Ų | 79 | 47% | 0.468 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 136.3 | -178.4 | -26.8 | 35.3 | 0 | 0 | 0 | 113.2 | D799 | P797-D799 PolarHBondContact O-N 3.12Š|
| 798 | A | 62.9 | Low | 75 | Confident | 78 Ų | 78 | 70.2 Ų | 70.2 | 65% | 0.645 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 125.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R796 | R796-A798 PolarHBondContact O-N 3.45Š|
| 799 | D | 60.7 | Low | 75.8 | Confident | 57 Ų | 57 | 65 Ų | 65 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | trans | -89 | 107.7 | 175.5 | -171.3 | -17.2 | 0 | 0 | 0 | 110.1 | P797 A801 L802 | P797-D799 PolarHBondContact O-N 3.12Å; D799-A801 VanDerWaalsContact C-N 3.35Å; D799-A801 WeakPolarHBondContact OD1-CA 3.03Å; D799-A801 WeakPolarHBondContact OD1-CB 3.37Å; D799-A801 PolarHBondContact OD1-N 2.91Å; D799-L802 PolarHBondContact OD1-N 3.4Å | ||
| 800 | H | 51 | Low | 76.4 | Confident | 174 Ų | 174 | 63.1 Ų | 63.1 | 81% | 0.806 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -80.7 | -13.1 | 177.5 | -61.3 | -60.9 | 0 | 0 | 0 | 113.5 | ||
| 801 | A | 51.2 | Low | 76.9 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -84 | -27.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D799 P803 | D799-A801 VanDerWaalsContact C-N 3.35Å; D799-A801 WeakPolarHBondContact OD1-CA 3.03Å; D799-A801 WeakPolarHBondContact OD1-CB 3.37Å; D799-A801 PolarHBondContact OD1-N 2.91Å; A801-P803 WeakPolarHBondContact O-CD 3.35Å |
| 802 | L | 65.9 | Low | 77.2 | Confident | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | trans | -119.5 | 83.7 | 175.5 | -75.9 | 166.2 | 0 | 0 | 0 | 112.4 | D799 E804 R805 D964 P965 | D799-L802 PolarHBondContact OD1-N 3.4Å; L802-E804 PolarHBondContact O-N 3.42Å; L802-E804 VanDerWaalsContact O-N 3.09Å; L802-R805 HydrophobicContact CB-CB 3.98Å; L802-R805 WeakPolarHBondContact O-CB 3.41Å; L802-R805 PolarHBondContact O-N 3.18Å; L802-D964 HydrophobicContact CD1-CB 4.37Å; L802-D964 HydrophobicContact CD2-CB 4.38Å; L802-P965 HydrophobicContact CD2-CG 4.43Å | ||
| 803 | P | 65.7 | Low | 77.3 | Confident | 113 Ų | 113 | 56 Ų | 56 | 73% | 0.734 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.9 | 175.9 | -27.1 | 35.4 | 0 | 0 | 0 | 114.7 | A801 | A801-P803 WeakPolarHBondContact O-CD 3.35Š|
| 804 | E | 73 | Confident | 77.2 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 15.2 | 177.9 | 67.7 | -171.9 | -136.7 | 0 | 0 | 113.7 | L802 S806 D807 F808 P965 T1045 R1075 | L802-E804 PolarHBondContact O-N 3.42Å; L802-E804 VanDerWaalsContact O-N 3.09Å; E804-S806 PolarHBondContact O-N 2.7Å; E804-D807 PolarHBondContact O-N 2.82Å; E804-F808 PolarHBondContact O-N 2.97Å; E804-P965 HydrophobicContact CG-CG 4.39Å; E804-P965 WeakPolarHBondContact OE1-CB 3.37Å; E804-P965 WeakPolarHBondContact OE1-CG 3.36Å; E804-T1045 WeakPolarHBondContact OE1-CB 3.49Å; E804-T1045 VanDerWaalsContact OE1-CG2 3.3Å; E804-T1045 WeakPolarHBondContact OE1-CG2 3.44Å; E804-T1045 PolarHBondContact OE1-OG1 3.07Å; E804-R1075 WeakPolarHBondContact OE1-CD 3.33Å; E804-R1075 IonicContact OE1-CZ 2.71Å; E804-R1075 IonicContact OE1-NE 3.47Å; E804-R1075 PolarHBondContact OE1-NE 2.91Å; E804-R1075 IonicContact OE1-NH1 3.9Å; E804-R1075 PolarHBondContact OE1-NH1 2.93Å; E804-R1075 IonicContact OE2-CZ 3.12Å; E804-R1075 IonicContact OE2-NE 3.45Å; E804-R1075 IonicContact OE2-NH1 3.43Å; E804-R1075 PolarHBondContact OE2-NH1 2.89Å |
| 805 | R | 77.9 | Confident | 77 | Confident | 55 Ų | 55 | 56.7 Ų | 56.7 | 21% | 0.208 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -50.6 | -41.9 | -179.8 | -179.6 | 173.6 | -174.4 | 178.7 | 17.7 | 112.6 | D663 R796 L802 D807 F808 E809 | D663-R805 IonicContact OD2-CZ 3.52Å; D663-R805 IonicContact OD2-NH2 3.54Å; D663-R805 PolarHBondContact OD2-NH2 3.43Å; R796-R805 VanDerWaalsContact NH2-CZ 3.34Å; L802-R805 HydrophobicContact CB-CB 3.98Å; L802-R805 WeakPolarHBondContact O-CB 3.41Å; L802-R805 PolarHBondContact O-N 3.18Å; R805-D807 PolarHBondContact O-N 3.14Å; R805-F808 PolarHBondContact O-N 3.44Å; R805-E809 HydrophobicContact CG-CG 4.25Å; R805-E809 WeakPolarHBondContact CG-OE1 3.43Å; R805-E809 IonicContact CZ-OE1 3.59Å; R805-E809 IonicContact NE-OE1 2.6Å; R805-E809 PolarHBondContact NE-OE1 3.45Å; R805-E809 IonicContact NH2-OE1 2.77Å; R805-E809 PolarHBondContact NH2-OE1 3.15Å; R805-E809 WeakPolarHBondContact O-CB 3.41Å; R805-E809 WeakPolarHBondContact O-CG 3.21Å; R805-E809 PolarHBondContact O-N 3.2Å |
| 806 | S | 82.3 | Confident | 76.8 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 57% | 0.566 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.8 | -42.8 | 176.4 | 47.1 | 0 | 0 | 0 | 0 | 112.9 | E804 A810 | E804-S806 PolarHBondContact O-N 2.7Å; S806-A810 WeakPolarHBondContact O-CB 3.5Å; S806-A810 PolarHBondContact O-N 2.71Å |
| 807 | D | 84.9 | Confident | 76.3 | Confident | 40 Ų | 40 | 60 Ų | 60 | 21% | 0.214 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74 | -41.6 | 179 | -82.5 | -28 | 0 | 0 | 0 | 112.2 | E804 R805 A810 L811 Y816 K1048 | E804-D807 PolarHBondContact O-N 2.82Å; R805-D807 PolarHBondContact O-N 3.14Å; D807-A810 PolarHBondContact O-N 3.39Å; D807-L811 WeakPolarHBondContact O-CB 3.44Å; D807-L811 WeakPolarHBondContact O-CD1 3.3Å; D807-L811 VanDerWaalsContact O-CG 3.22Å; D807-L811 WeakPolarHBondContact O-CG 3.23Å; D807-L811 PolarHBondContact O-N 3.2Å; D807-Y816 PolarHBondContact OD1-OH 2.81Å; D807-K1048 IonicContact OD1-NZ 3.94Å; D807-K1048 PolarHBondContact OD1-NZ 2.66Å; D807-K1048 WeakPolarHBondContact OD2-CE 3.27Å; D807-K1048 IonicContact OD2-NZ 3.19Å; D807-K1048 PolarHBondContact OD2-NZ 2.99Å |
| 808 | F | 86.2 | Confident | 76.5 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57 | -52 | 173.2 | 167.6 | -117.6 | 0 | 0 | 0 | 111.4 | E804 R805 A810 L811 C812 P965 V1043 T1045 A1077 | E804-F808 PolarHBondContact O-N 2.97Å; R805-F808 PolarHBondContact O-N 3.44Å; F808-A810 PolarHBondContact O-N 3.38Å; F808-L811 PolarHBondContact O-N 3.3Å; F808-C812 WeakPolarHBondContact CE2-SG 2.95Å; F808-C812 PolarHBondContact O-N 2.76Å; F808-C812 PolarHBondContact O-SG 2.65Å; F808-P965 HydrophobicContact CB-CG 4.01Å; F808-P965 HydrophobicContact CD2-CG 3.92Å; F808-P965 HydrophobicContact CG-CG 3.97Å; F808-V1043 HydrophobicContact CD2-CG2 3.88Å; F808-V1043 HydrophobicContact CE2-CG2 4.13Å; F808-T1045 HydrophobicContact CB-CG2 4.19Å; F808-A1077 HydrophobicContact CD2-CB 3.63Å; F808-A1077 HydrophobicContact CE2-CB 3.39Å; F808-A1077 HydrophobicContact CZ-CB 4.43Å |
| 809 | E | 88.2 | Confident | 77.3 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -36.1 | -179.3 | -63.8 | 174.9 | 171.9 | 0 | 0 | 112.1 | V664 R796 R805 C812 R813 | V664-E809 HydrophobicContact CB-CG 4.42Å; V664-E809 HydrophobicContact CG1-CB 4.43Å; V664-E809 HydrophobicContact CG1-CG 4.23Å; V664-E809 HydrophobicContact CG2-CG 4.18Å; R796-E809 IonicContact CZ-OE1 3.72Å; R796-E809 IonicContact CZ-OE2 3.63Å; R796-E809 IonicContact NH1-OE1 3.69Å; R796-E809 IonicContact NH1-OE2 2.72Å; R796-E809 PolarHBondContact NH1-OE2 2.94Å; R796-E809 IonicContact NH2-OE1 2.82Å; R796-E809 PolarHBondContact NH2-OE1 2.77Å; R796-E809 IonicContact NH2-OE2 3.2Å; R796-E809 PolarHBondContact NH2-OE2 3.25Å; R805-E809 HydrophobicContact CG-CG 4.25Å; R805-E809 WeakPolarHBondContact CG-OE1 3.43Å; R805-E809 IonicContact CZ-OE1 3.59Å; R805-E809 IonicContact NE-OE1 2.6Å; R805-E809 PolarHBondContact NE-OE1 3.45Å; R805-E809 IonicContact NH2-OE1 2.77Å; R805-E809 PolarHBondContact NH2-OE1 3.15Å; R805-E809 WeakPolarHBondContact O-CB 3.41Å; R805-E809 WeakPolarHBondContact O-CG 3.21Å; R805-E809 PolarHBondContact O-N 3.2Å; E809-C812 PolarHBondContact O-N 3.03Å; E809-R813 VanDerWaalsContact CB-NH1 3.31Å; E809-R813 WeakPolarHBondContact O-CG 3.47Å; E809-R813 PolarHBondContact O-N 2.8Å; E809-R813 PolarHBondContact O-NH1 3.24Å |
| 810 | A | 88.4 | Confident | 78.2 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S806 D807 F808 R813 G814 E815 Y816 | S806-A810 WeakPolarHBondContact O-CB 3.5Å; S806-A810 PolarHBondContact O-N 2.71Å; D807-A810 PolarHBondContact O-N 3.39Å; F808-A810 PolarHBondContact O-N 3.38Å; A810-R813 VanDerWaalsContact CA-NH2 3.34Å; A810-R813 PolarHBondContact O-N 3.33Å; A810-G814 PolarHBondContact O-N 2.85Å; A810-G814 VanDerWaalsContact O-N 3.14Å; A810-E815 WeakPolarHBondContact CA-OE2 3.39Å; A810-E815 HydrophobicContact CB-CB 4.23Å; A810-E815 WeakPolarHBondContact CB-OE2 3.38Å; A810-E815 PolarHBondContact O-N 3.07Å; A810-Y816 HydrophobicContact CB-CD2 3.99Å; A810-Y816 HydrophobicContact CB-CE2 3.72Å |
| 811 | L | 90.1 | Very high | 79.6 | Confident | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 172.7 | -71.7 | 163.3 | 0 | 0 | 0 | 111.9 | D807 F808 R813 G814 Y816 V1043 T1045 K1048 | D807-L811 WeakPolarHBondContact O-CB 3.44Å; D807-L811 WeakPolarHBondContact O-CD1 3.3Å; D807-L811 VanDerWaalsContact O-CG 3.22Å; D807-L811 WeakPolarHBondContact O-CG 3.23Å; D807-L811 PolarHBondContact O-N 3.2Å; F808-L811 PolarHBondContact O-N 3.3Å; L811-R813 VanDerWaalsContact C-N 3.31Å; L811-R813 PolarHBondContact O-N 3.41Å; L811-G814 PolarHBondContact O-N 2.64Å; L811-G814 VanDerWaalsContact O-N 3.09Å; L811-Y816 HydrophobicContact CD2-CD2 3.58Å; L811-Y816 HydrophobicContact CD2-CG 3.92Å; L811-Y816 HydrophobicContact CG-CD2 3.67Å; L811-Y816 HydrophobicContact CG-CE2 4.28Å; L811-Y816 HydrophobicContact CG-CG 4.5Å; L811-V1043 HydrophobicContact CB-CB 3.82Å; L811-V1043 HydrophobicContact CB-CG1 3.78Å; L811-V1043 HydrophobicContact CB-CG2 4.17Å; L811-V1043 HydrophobicContact CD1-CB 4.27Å; L811-T1045 HydrophobicContact CD1-CG2 4.06Å; L811-K1048 HydrophobicContact CD2-CB 4.42Å |
| 812 | C | 90 | Very high | 80.9 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.5 | -32.1 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 113.4 | V664 Y665 F808 E809 G814 C1079 | V664-C812 HydrophobicContact CG1-CB 3.83Å; Y665-C812 VanDerWaalsContact CE1-O 3.22Å; Y665-C812 WeakPolarHBondContact CE1-O 3.39Å; F808-C812 WeakPolarHBondContact CE2-SG 2.95Å; F808-C812 PolarHBondContact O-N 2.76Å; F808-C812 PolarHBondContact O-SG 2.65Å; E809-C812 PolarHBondContact O-N 3.03Å; C812-G814 VanDerWaalsContact C-N 3.35Å; C812-C1079 WeakPolarHBondContact CA-SG 3.47Å; C812-C1079 HydrophobicContact CB-CB 3.75Å; C812-C1079 WeakPolarHBondContact CB-SG 3.22Å; C812-C1079 VanDerWaalsContact SG-CA 3.58Å; C812-C1079 WeakPolarHBondContact SG-CB 3.47Å; C812-C1079 CovalentContact SG-SG 2.03Å; C812-C1079 PolarHBondContact SG-SG 2.95Å |
| 813 | R | 88.3 | Confident | 81.5 | Confident | 52 Ų | 52 | 69 Ų | 69 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.8 | 171.5 | -68.1 | -175.8 | -56.2 | -90.1 | -8.4 | 114.4 | V664 Y665 E809 A810 L811 E815 | V664-R813 WeakPolarHBondContact O-CD 3.43Å; V664-R813 WeakPolarHBondContact O-CG 3.3Å; V664-R813 PolarHBondContact O-NH1 3.41Å; Y665-R813 HydrophobicContact CD1-CG 4.13Å; Y665-R813 WeakPolarHBondContact O-CD 3.24Å; E809-R813 VanDerWaalsContact CB-NH1 3.31Å; E809-R813 WeakPolarHBondContact O-CG 3.47Å; E809-R813 PolarHBondContact O-N 2.8Å; E809-R813 PolarHBondContact O-NH1 3.24Å; A810-R813 VanDerWaalsContact CA-NH2 3.34Å; A810-R813 PolarHBondContact O-N 3.33Å; L811-R813 VanDerWaalsContact C-N 3.31Å; L811-R813 PolarHBondContact O-N 3.41Å; R813-E815 VanDerWaalsContact C-N 3.29Å; R813-E815 HydrophobicContact CB-CG 4.01Å; R813-E815 IonicContact CZ-OE1 2.64Å; R813-E815 IonicContact CZ-OE2 3.91Å; R813-E815 VanDerWaalsContact NE-CD 3.25Å; R813-E815 IonicContact NE-OE1 2.72Å; R813-E815 PolarHBondContact NE-OE1 3.38Å; R813-E815 IonicContact NE-OE2 2.68Å; R813-E815 PolarHBondContact NE-OE2 3.22Å; R813-E815 IonicContact NH2-OE1 3.55Å; R813-E815 PolarHBondContact NH2-OE1 2.78Å; R813-E815 IonicContact NH2-OE2 3.3Å; R813-E815 PolarHBondContact NH2-OE2 2.8Å; R813-E815 PolarHBondContact O-N 3.33Å |
| 814 | G | 84.7 | Confident | 82.3 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 46% | 0.464 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 17.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A810 L811 C812 Y816 | A810-G814 PolarHBondContact O-N 2.85Å; A810-G814 VanDerWaalsContact O-N 3.14Å; L811-G814 PolarHBondContact O-N 2.64Å; L811-G814 VanDerWaalsContact O-N 3.09Å; C812-G814 VanDerWaalsContact C-N 3.35Å; G814-Y816 PolarHBondContact O-N 2.79Å; G814-Y816 VanDerWaalsContact O-N 3.16Å |
| 815 | E | 85.9 | Confident | 82.6 | Confident | 96 Ų | 96 | 69.3 Ų | 69.3 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | trans | -62.5 | -22.4 | 179.9 | -67.2 | 174.1 | 167.1 | 0 | 0 | 112.3 | K666 A810 R813 L817 | K666-E815 IonicContact NZ-OE1 2.77Å; K666-E815 PolarHBondContact NZ-OE1 2.76Å; K666-E815 IonicContact NZ-OE2 3.83Å; A810-E815 WeakPolarHBondContact CA-OE2 3.39Å; A810-E815 HydrophobicContact CB-CB 4.23Å; A810-E815 WeakPolarHBondContact CB-OE2 3.38Å; A810-E815 PolarHBondContact O-N 3.07Å; R813-E815 VanDerWaalsContact C-N 3.29Å; R813-E815 HydrophobicContact CB-CG 4.01Å; R813-E815 IonicContact CZ-OE1 2.64Å; R813-E815 IonicContact CZ-OE2 3.91Å; R813-E815 VanDerWaalsContact NE-CD 3.25Å; R813-E815 IonicContact NE-OE1 2.72Å; R813-E815 PolarHBondContact NE-OE1 3.38Å; R813-E815 IonicContact NE-OE2 2.68Å; R813-E815 PolarHBondContact NE-OE2 3.22Å; R813-E815 IonicContact NH2-OE1 3.55Å; R813-E815 PolarHBondContact NH2-OE1 2.78Å; R813-E815 IonicContact NH2-OE2 3.3Å; R813-E815 PolarHBondContact NH2-OE2 2.8Å; R813-E815 PolarHBondContact O-N 3.33Å; E815-L817 PolarHBondContact O-N 3.25Å | ||
| 816 | Y | 81.4 | Confident | 82.9 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | trans | -84.1 | 88.6 | 177 | -81.7 | -68.8 | 0 | 0 | 0 | 113.1 | D807 A810 L811 G814 L818 K1048 | D807-Y816 PolarHBondContact OD1-OH 2.81Å; A810-Y816 HydrophobicContact CB-CD2 3.99Å; A810-Y816 HydrophobicContact CB-CE2 3.72Å; L811-Y816 HydrophobicContact CD2-CD2 3.58Å; L811-Y816 HydrophobicContact CD2-CG 3.92Å; L811-Y816 HydrophobicContact CG-CD2 3.67Å; L811-Y816 HydrophobicContact CG-CE2 4.28Å; L811-Y816 HydrophobicContact CG-CG 4.5Å; G814-Y816 PolarHBondContact O-N 2.79Å; G814-Y816 VanDerWaalsContact O-N 3.16Å; Y816-L818 PolarHBondContact O-N 3.37Å; Y816-K1048 HydrophobicContact CD1-CB 3.98Å; Y816-K1048 HydrophobicContact CD1-CD 4.38Å; Y816-K1048 HydrophobicContact CE1-CB 4.2Å; Y816-K1048 HydrophobicContact CE1-CD 3.74Å; Y816-K1048 HydrophobicContact CE1-CG 4.28Å; Y816-K1048 HydrophobicContact CG-CB 4.15Å; Y816-K1048 PolarHBondContact OH-NZ 2.79Å | ||
| 817 | L | 71.8 | Confident | 83.2 | Confident | 140 Ų | 140 | 71.2 Ų | 71.2 | 73% | 0.733 | 35% | 0.354 | S | S | * | . | trans | -81.6 | 114 | 172.4 | -63.3 | 178.2 | 0 | 0 | 0 | 111.8 | E815 T819 | E815-L817 PolarHBondContact O-N 3.25Å; L817-T819 PolarHBondContact O-N 3.45Å | ||
| 818 | L | 76.2 | Confident | 83.6 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | trans | -57.7 | 134.8 | 169.7 | -77.3 | 175.3 | 0 | 0 | 0 | 111.4 | Y816 Q822 R823 F826 I1049 | Y816-L818 PolarHBondContact O-N 3.37Å; L818-Q822 HydrophobicContact CB-CB 4.49Å; L818-Q822 HydrophobicContact CD2-CB 4.1Å; L818-Q822 HydrophobicContact CD2-CG 4.39Å; L818-R823 HydrophobicContact CB-CG 4.08Å; L818-R823 VanDerWaalsContact O-CZ 3.27Å; L818-R823 PolarHBondContact O-NE 2.8Å; L818-R823 PolarHBondContact O-NH2 2.86Å; L818-F826 HydrophobicContact CD1-CE2 3.7Å; L818-F826 HydrophobicContact CD1-CZ 3.94Å; L818-I1049 HydrophobicContact CD1-CG2 4.04Å; L818-I1049 HydrophobicContact CD2-CG2 3.81Å; L818-I1049 HydrophobicContact CG-CG2 4.18Å | ||
| 819 | T | 79.5 | Confident | 83.9 | Confident | 77 Ų | 77 | 77.1 Ų | 77.1 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | trans | -65.9 | 153.5 | 176.1 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | L817 K821 Q822 R823 | L817-T819 PolarHBondContact O-N 3.45Å; T819-K821 PolarHBondContact O-N 3.31Å; T819-Q822 WeakPolarHBondContact O-CB 3.32Å; T819-Q822 PolarHBondContact O-N 3.41Å; T819-Q822 WeakPolarHBondContact OG1-CG 3.35Å; T819-Q822 PolarHBondContact OG1-N 3.19Å; T819-Q822 PolarHBondContact OG1-OE1 3.02Å; T819-R823 PolarHBondContact O-N 3.06Å | ||
| 820 | E | 79.6 | Confident | 84.2 | Confident | 169 Ų | 169 | 83.2 Ų | 83.2 | 79% | 0.79 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -56.1 | -36.4 | 176 | -172.4 | 174.1 | -154.6 | 0 | 0 | 112.1 | Q822 R823 S824 | E820-Q822 VanDerWaalsContact C-N 3.3Å; E820-Q822 PolarHBondContact O-N 3.5Å; E820-R823 PolarHBondContact O-N 2.62Å; E820-S824 WeakPolarHBondContact O-CB 3.46Å; E820-S824 PolarHBondContact O-N 3.34Å; E820-S824 PolarHBondContact O-OG 2.97Å |
| 821 | K | 81 | Confident | 84.3 | Confident | 177 Ų | 177 | 83.5 Ų | 83.5 | 77% | 0.77 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.1 | -30.6 | 173.2 | -176.5 | 179.5 | 176.5 | -175.9 | 0 | 113.7 | T819 S824 T825 | T819-K821 PolarHBondContact O-N 3.31Å; K821-S824 PolarHBondContact O-OG 3.48Å; K821-T825 WeakPolarHBondContact O-CG2 3.25Å |
| 822 | Q | 78.1 | Confident | 84.5 | Confident | 80 Ų | 80 | 89.8 Ų | 89.8 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -77.5 | -48.5 | 172.9 | -72.7 | 159.7 | -66.5 | 0 | 0 | 110.2 | L818 T819 E820 S824 T825 | L818-Q822 HydrophobicContact CB-CB 4.49Å; L818-Q822 HydrophobicContact CD2-CB 4.1Å; L818-Q822 HydrophobicContact CD2-CG 4.39Å; T819-Q822 WeakPolarHBondContact O-CB 3.32Å; T819-Q822 PolarHBondContact O-N 3.41Å; T819-Q822 WeakPolarHBondContact OG1-CG 3.35Å; T819-Q822 PolarHBondContact OG1-N 3.19Å; T819-Q822 PolarHBondContact OG1-OE1 3.02Å; E820-Q822 VanDerWaalsContact C-N 3.3Å; E820-Q822 PolarHBondContact O-N 3.5Å; Q822-S824 VanDerWaalsContact C-N 3.31Å; Q822-S824 PolarHBondContact O-N 2.7Å; Q822-T825 WeakPolarHBondContact O-CB 3.31Å; Q822-T825 PolarHBondContact O-N 3.23Å; Q822-T825 PolarHBondContact O-OG1 3.37Å |
| 823 | R | 78.6 | Confident | 84.4 | Confident | 134 Ų | 134 | 93.1 Ų | 93.1 | 51% | 0.506 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | -178.9 | -61.2 | -177.5 | -154.4 | -150.9 | 4.2 | 112.7 | L818 T819 E820 T825 F826 | L818-R823 HydrophobicContact CB-CG 4.08Å; L818-R823 VanDerWaalsContact O-CZ 3.27Å; L818-R823 PolarHBondContact O-NE 2.8Å; L818-R823 PolarHBondContact O-NH2 2.86Å; T819-R823 PolarHBondContact O-N 3.06Å; E820-R823 PolarHBondContact O-N 2.62Å; R823-T825 PolarHBondContact O-N 2.99Å; R823-T825 VanDerWaalsContact O-N 3.14Å; R823-F826 WeakPolarHBondContact O-CB 3.17Å; R823-F826 PolarHBondContact O-N 3.4Å |
| 824 | S | 81 | Confident | 84.3 | Confident | 94 Ų | 94 | 93.6 Ų | 93.6 | 66% | 0.657 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -7.8 | 178.4 | 63.4 | 0 | 0 | 0 | 0 | 114.5 | E820 K821 Q822 | E820-S824 WeakPolarHBondContact O-CB 3.46Å; E820-S824 PolarHBondContact O-N 3.34Å; E820-S824 PolarHBondContact O-OG 2.97Å; K821-S824 PolarHBondContact O-OG 3.48Å; Q822-S824 VanDerWaalsContact C-N 3.31Å; Q822-S824 PolarHBondContact O-N 2.7Å |
| 825 | T | 79.5 | Confident | 84.5 | Confident | 49 Ų | 49 | 95.2 Ų | 95.2 | 30% | 0.301 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13 | 169.7 | 74.9 | 0 | 0 | 0 | 0 | 113.1 | K821 Q822 R823 R849 | K821-T825 WeakPolarHBondContact O-CG2 3.25Å; Q822-T825 WeakPolarHBondContact O-CB 3.31Å; Q822-T825 PolarHBondContact O-N 3.23Å; Q822-T825 PolarHBondContact O-OG1 3.37Å; R823-T825 PolarHBondContact O-N 2.99Å; R823-T825 VanDerWaalsContact O-N 3.14Å; T825-R849 PolarHBondContact O-NE 3.12Å; T825-R849 PolarHBondContact O-NH2 3.47Å |
| 826 | F | 86 | Confident | 84.6 | Confident | 52 Ų | 52 | 96 Ų | 96 | 23% | 0.228 | 46% | 0.463 | C | S | . | . | trans | -87.7 | 148.7 | -177.2 | -54.9 | -18.4 | 0 | 0 | 0 | 110.9 | L818 R823 I846 V847 | L818-F826 HydrophobicContact CD1-CE2 3.7Å; L818-F826 HydrophobicContact CD1-CZ 3.94Å; R823-F826 WeakPolarHBondContact O-CB 3.17Å; R823-F826 PolarHBondContact O-N 3.4Å; F826-I846 WeakPolarHBondContact CB-O 3.36Å; F826-I846 WeakPolarHBondContact CD1-O 3.49Å; F826-I846 WeakPolarHBondContact CG-O 2.98Å; F826-V847 WeakPolarHBondContact CE1-O 3.49Å; F826-V847 WeakPolarHBondContact CZ-O 3.31Å | ||
| 827 | Y | 88.5 | Confident | 85 | Confident | 124 Ų | 124 | 92 Ų | 92 | 49% | 0.486 | 45% | 0.447 | S | S | . | . | trans | -153.2 | 156.9 | 174.3 | 64.1 | -89.7 | 0 | 0 | 0 | 111.5 | Y829 I846 | Y827-Y829 HydrophobicContact CD2-CD1 4.11Å; Y827-Y829 AromaticContact CE2-CD1 3.76Å; Y827-Y829 HydrophobicContact CE2-CD1 3.76Å; Y827-Y829 HydrophobicContact CE2-CE1 4.46Å; Y827-Y829 HydrophobicContact CE2-CG 4.25Å; Y827-I846 HydrophobicContact CD1-CD1 4.29Å; Y827-I846 HydrophobicContact CE1-CD1 3.63Å; Y827-I846 HydrophobicContact CE2-CD1 4.03Å; Y827-I846 VanDerWaalsContact CZ-CD1 3.47Å; Y827-I846 PolarHBondContact O-N 3Å; Y827-I846 VanDerWaalsContact O-N 3.07Å | ||
| 828 | C | 91.6 | Very high | 85.9 | Confident | 92 Ų | 92 | 92 Ų | 92 | 62% | 0.622 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 145 | 172.4 | -64.6 | 0 | 0 | 0 | 0 | 110.3 | A844 | C828-A844 CarbonylContact C-O 3.48Å; C828-A844 VanDerWaalsContact CA-O 3.29Å; C828-A844 WeakPolarHBondContact CA-O 3.34Å |
| 829 | Y | 93.8 | Very high | 86.5 | Confident | 80 Ų | 80 | 97.4 Ų | 97.4 | 31% | 0.314 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 163.7 | 176.4 | 68.8 | -79.3 | 0 | 0 | 0 | 112 | Y827 K831 A844 I846 | Y827-Y829 HydrophobicContact CD2-CD1 4.11Å; Y827-Y829 AromaticContact CE2-CD1 3.76Å; Y827-Y829 HydrophobicContact CE2-CD1 3.76Å; Y827-Y829 HydrophobicContact CE2-CE1 4.46Å; Y827-Y829 HydrophobicContact CE2-CG 4.25Å; Y829-K831 HydrophobicContact CE2-CB 4.09Å; Y829-A844 HydrophobicContact CD1-CB 4.13Å; Y829-A844 HydrophobicContact CE1-CB 3.65Å; Y829-A844 HydrophobicContact CE2-CB 4.08Å; Y829-A844 PolarHBondContact N-O 2.9Å; Y829-A844 PolarHBondContact O-N 2.9Å; Y829-I846 HydrophobicContact CD1-CG1 4.48Å; Y829-I846 HydrophobicContact CE1-CD1 4.21Å; Y829-I846 HydrophobicContact CE1-CG1 3.97Å |
| 830 | Y | 93.2 | Very high | 86.9 | Confident | 136 Ų | 136 | 95.6 Ų | 95.6 | 53% | 0.533 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 112.4 | 170.9 | -77.9 | -73.6 | 0 | 0 | 0 | 110 | R832 P841 I842 K843 | Y830-R832 PolarHBondContact O-N 2.91Å; Y830-P841 HydrophobicContact CD1-CB 3.97Å; Y830-P841 HydrophobicContact CD1-CG 4.25Å; Y830-P841 HydrophobicContact CG-CB 4.41Å; Y830-I842 CarbonylContact C-O 3.59Å; Y830-I842 WeakPolarHBondContact CA-O 3.36Å; Y830-K843 HydrophobicContact CD1-CG 4.45Å; Y830-K843 HydrophobicContact CE1-CG 3.82Å |
| 831 | K | 92.3 | Very high | 87.5 | Confident | 13 Ų | 13 | 89.6 Ų | 89.6 | 6% | 0.057 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 123.1 | 175 | -177.4 | -175.8 | 160.3 | 83.7 | 0 | 109.8 | Y829 D833 L837 I842 F856 D940 M941 N943 | Y829-K831 HydrophobicContact CE2-CB 4.09Å; K831-D833 WeakPolarHBondContact CE-OD1 3.47Å; K831-D833 VanDerWaalsContact CG-OD1 3.3Å; K831-D833 WeakPolarHBondContact CG-OD1 3.41Å; K831-D833 VanDerWaalsContact NZ-CG 3.32Å; K831-D833 IonicContact NZ-OD1 2.81Å; K831-D833 PolarHBondContact NZ-OD1 2.87Å; K831-D833 VanDerWaalsContact NZ-OD1 3.12Å; K831-D833 IonicContact NZ-OD2 3.38Å; K831-D833 PolarHBondContact NZ-OD2 2.9Å; K831-L837 HydrophobicContact CD-CD1 3.94Å; K831-L837 VanDerWaalsContact CE-CD1 3.45Å; K831-L837 HydrophobicContact CG-CD1 3.96Å; K831-I842 PolarHBondContact N-O 2.73Å; K831-I842 PolarHBondContact O-N 3.09Å; K831-F856 HydrophobicContact CD-CE1 4.29Å; K831-D940 WeakPolarHBondContact CE-O 3.42Å; K831-M941 WeakPolarHBondContact CE-O 3.36Å; K831-M941 PolarHBondContact NZ-O 3.08Å; K831-N943 PolarHBondContact NZ-ND2 3.17Å; K831-N943 VanDerWaalsContact NZ-ND2 3.17Å; K831-N943 PolarHBondContact NZ-OD1 3.23Å |
| 832 | R | 92.5 | Very high | 88.1 | Confident | 140 Ų | 140 | 82.1 Ų | 82.1 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | trans | -141.8 | 21.2 | -171.4 | -69.7 | -177.9 | -179.8 | -167.8 | 0.3 | 113.4 | Y830 K838 P841 | Y830-R832 PolarHBondContact O-N 2.91Å; R832-K838 WeakPolarHBondContact O-CE 3.49Å; R832-K838 VanDerWaalsContact O-CG 3.23Å; R832-K838 WeakPolarHBondContact O-CG 3.41Å; R832-P841 HydrophobicContact CG-CB 3.77Å | ||
| 833 | D | 89.6 | Confident | 88.9 | Confident | 82 Ų | 82 | 82.5 Ų | 82.5 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | trans | -76.2 | -44.2 | -172.5 | 47.5 | 1.3 | 0 | 0 | 0 | 112.9 | K831 N943 | K831-D833 WeakPolarHBondContact CE-OD1 3.47Å; K831-D833 VanDerWaalsContact CG-OD1 3.3Å; K831-D833 WeakPolarHBondContact CG-OD1 3.41Å; K831-D833 VanDerWaalsContact NZ-CG 3.32Å; K831-D833 IonicContact NZ-OD1 2.81Å; K831-D833 PolarHBondContact NZ-OD1 2.87Å; K831-D833 VanDerWaalsContact NZ-OD1 3.12Å; K831-D833 IonicContact NZ-OD2 3.38Å; K831-D833 PolarHBondContact NZ-OD2 2.9Å; D833-N943 PolarHBondContact OD2-ND2 2.87Å | ||
| 834 | K | 86.1 | Confident | 89.6 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 27% | 0.265 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -75.4 | 152.6 | 170.2 | -69.4 | -162 | -174.2 | -173.3 | 0 | 113 | Y836 L837 K838 G939 D940 | K834-Y836 PolarHBondContact O-N 3.39Å; K834-L837 HydrophobicContact CB-CB 4.46Å; K834-L837 HydrophobicContact CB-CD1 4.28Å; K834-L837 HydrophobicContact CB-CG 4.15Å; K834-L837 PolarHBondContact O-N 3.03Å; K834-K838 PolarHBondContact O-N 3.34Å; K834-G939 WeakPolarHBondContact CE-O 3.47Å; K834-G939 VanDerWaalsContact NZ-C 3.32Å; K834-G939 PolarHBondContact NZ-O 2.86Å; K834-D940 HydrophobicContact CD-CB 4.25Å; K834-D940 WeakPolarHBondContact CD-OD1 3.43Å; K834-D940 WeakPolarHBondContact CE-OD1 3.22Å; K834-D940 IonicContact NZ-OD1 3.75Å; K834-D940 PolarHBondContact NZ-OD1 2.86Å |
| 835 | A | 88.1 | Confident | 90.2 | Very high | 80 Ų | 80 | 74.2 Ų | 74.2 | 66% | 0.661 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -44.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L837 K838 | A835-L837 PolarHBondContact O-N 3.03Å; A835-K838 WeakPolarHBondContact O-CB 3.42Å; A835-K838 PolarHBondContact O-N 2.9Å |
| 836 | Y | 87.5 | Confident | 90.8 | Very high | 112 Ų | 112 | 72.3 Ų | 72.3 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -61.4 | -41.6 | 174.8 | 177.6 | -108.9 | 0 | 0 | 0 | 112.3 | K834 K838 L839 A840 | K834-Y836 PolarHBondContact O-N 3.39Å; Y836-K838 PolarHBondContact O-N 2.88Å; Y836-L839 WeakPolarHBondContact O-CB 3.34Å; Y836-L839 PolarHBondContact O-N 2.81Å; Y836-A840 HydrophobicContact CE1-CB 4.08Å; Y836-A840 HydrophobicContact CE2-CB 4.47Å; Y836-A840 PolarHBondContact O-N 2.79Å |
| 837 | L | 90.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -71 | -10.9 | -179.4 | -59.2 | -175.6 | 0 | 0 | 0 | 114 | K831 K834 A835 L839 A840 P841 I842 D940 | K831-L837 HydrophobicContact CD-CD1 3.94Å; K831-L837 VanDerWaalsContact CE-CD1 3.45Å; K831-L837 HydrophobicContact CG-CD1 3.96Å; K834-L837 HydrophobicContact CB-CB 4.46Å; K834-L837 HydrophobicContact CB-CD1 4.28Å; K834-L837 HydrophobicContact CB-CG 4.15Å; K834-L837 PolarHBondContact O-N 3.03Å; A835-L837 PolarHBondContact O-N 3.03Å; L837-L839 VanDerWaalsContact C-N 3.29Å; L837-A840 WeakPolarHBondContact CD2-O 3.5Å; L837-A840 CarbonylContact O-C 3.58Å; L837-P841 VanDerWaalsContact O-CA 3.25Å; L837-P841 WeakPolarHBondContact O-CA 3.49Å; L837-I842 HydrophobicContact CD2-CD1 3.67Å; L837-I842 HydrophobicContact CD2-CG1 3.9Å; L837-D940 WeakPolarHBondContact CD1-O 3.36Å; L837-D940 HydrophobicContact CD2-CB 4.46Å |
| 838 | K | 89.8 | Confident | 90.9 | Very high | 140 Ų | 140 | 66.6 Ų | 66.6 | 61% | 0.609 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -72.7 | -24.6 | 168.1 | -65.7 | 176.1 | -177.2 | 178.3 | 0 | 112.3 | R832 K834 A835 Y836 | R832-K838 WeakPolarHBondContact O-CE 3.49Å; R832-K838 VanDerWaalsContact O-CG 3.23Å; R832-K838 WeakPolarHBondContact O-CG 3.41Å; K834-K838 PolarHBondContact O-N 3.34Å; A835-K838 WeakPolarHBondContact O-CB 3.42Å; A835-K838 PolarHBondContact O-N 2.9Å; Y836-K838 PolarHBondContact O-N 2.88Å |
| 839 | L | 89.7 | Confident | 90.5 | Very high | 153 Ų | 153 | 68.6 Ų | 68.6 | 80% | 0.801 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -44.5 | 174.7 | -56.7 | 176.4 | 0 | 0 | 0 | 111.2 | Y836 L837 P841 | Y836-L839 WeakPolarHBondContact O-CB 3.34Å; Y836-L839 PolarHBondContact O-N 2.81Å; L837-L839 VanDerWaalsContact C-N 3.29Å; L839-P841 VanDerWaalsContact O-CD 3.3Å; L839-P841 WeakPolarHBondContact O-CD 3.4Å |
| 840 | A | 88.7 | Confident | 90 | Very high | 38 Ų | 38 | 70.5 Ų | 70.5 | 31% | 0.314 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -117.5 | 77.9 | 180 | 0 | 0 | 0 | 0 | 0 | 111 | Y836 L837 | Y836-A840 HydrophobicContact CE1-CB 4.08Å; Y836-A840 HydrophobicContact CE2-CB 4.47Å; Y836-A840 PolarHBondContact O-N 2.79Å; L837-A840 WeakPolarHBondContact CD2-O 3.5Å; L837-A840 CarbonylContact O-C 3.58Å |
| 841 | P | 92.3 | Very high | 89.7 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 29% | 0.286 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 133.4 | -175.3 | 29 | -36.1 | 0 | 0 | 0 | 112.6 | Y830 R832 L837 L839 | Y830-P841 HydrophobicContact CD1-CB 3.97Å; Y830-P841 HydrophobicContact CD1-CG 4.25Å; Y830-P841 HydrophobicContact CG-CB 4.41Å; R832-P841 HydrophobicContact CG-CB 3.77Å; L837-P841 VanDerWaalsContact O-CA 3.25Å; L837-P841 WeakPolarHBondContact O-CA 3.49Å; L839-P841 VanDerWaalsContact O-CD 3.3Å; L839-P841 WeakPolarHBondContact O-CD 3.4Å |
| 842 | I | 92.4 | Very high | 89.5 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 136.3 | 178.8 | -69.4 | 174.5 | 0 | 0 | 0 | 110.3 | Y830 K831 L837 F856 V859 M941 | Y830-I842 CarbonylContact C-O 3.59Å; Y830-I842 WeakPolarHBondContact CA-O 3.36Å; K831-I842 PolarHBondContact N-O 2.73Å; K831-I842 PolarHBondContact O-N 3.09Å; L837-I842 HydrophobicContact CD2-CD1 3.67Å; L837-I842 HydrophobicContact CD2-CG1 3.9Å; I842-F856 HydrophobicContact CG2-CB 4.38Å; I842-F856 HydrophobicContact CG2-CD1 3.83Å; I842-F856 HydrophobicContact CG2-CG 4.46Å; I842-V859 HydrophobicContact CD1-CG1 4.48Å; I842-V859 HydrophobicContact CG2-CG1 3.64Å; I842-M941 HydrophobicContact CD1-CG 3.44Å; I842-M941 VanDerWaalsContact CD1-CG 3.44Å; I842-M941 HydrophobicContact CD1-SD 4.39Å |
| 843 | K | 94.9 | Very high | 89.5 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 124 | 172.4 | -60.6 | 172.6 | -174.1 | 177.9 | 0 | 109.2 | Y830 F856 R857 D858 | Y830-K843 HydrophobicContact CD1-CG 4.45Å; Y830-K843 HydrophobicContact CE1-CG 3.82Å; K843-F856 WeakPolarHBondContact O-CA 3.16Å; K843-R857 HydrophobicContact CB-CB 3.82Å; K843-R857 HydrophobicContact CD-CB 3.93Å; K843-R857 PolarHBondContact O-N 3.47Å; K843-D858 IonicContact NZ-OD2 3.4Å; K843-D858 PolarHBondContact NZ-OD2 3.33Å |
| 844 | A | 94.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | C828 Y829 F856 | C828-A844 CarbonylContact C-O 3.48Å; C828-A844 VanDerWaalsContact CA-O 3.29Å; C828-A844 WeakPolarHBondContact CA-O 3.34Å; Y829-A844 HydrophobicContact CD1-CB 4.13Å; Y829-A844 HydrophobicContact CE1-CB 3.65Å; Y829-A844 HydrophobicContact CE2-CB 4.08Å; Y829-A844 PolarHBondContact N-O 2.9Å; Y829-A844 PolarHBondContact O-N 2.9Å; A844-F856 HydrophobicContact CB-CD1 3.92Å; A844-F856 HydrophobicContact CB-CE1 4.03Å |
| 845 | E | 93 | Very high | 90.1 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129 | -179.6 | 177 | 178.1 | 178.5 | 0 | 0 | 109.3 | V847 L854 L855 R857 | E845-V847 HydrophobicContact CG-CG1 4.16Å; E845-V847 PolarHBondContact O-N 3.19Å; E845-L854 WeakPolarHBondContact O-CA 3.5Å; E845-L855 HydrophobicContact CB-CB 4.35Å; E845-L855 PolarHBondContact N-O 3.47Å; E845-L855 PolarHBondContact O-N 3.44Å; E845-R857 IonicContact OE1-NH2 2.85Å; E845-R857 IonicContact OE2-CZ 3.27Å; E845-R857 IonicContact OE2-NE 2.74Å; E845-R857 PolarHBondContact OE2-NE 2.79Å; E845-R857 IonicContact OE2-NH2 2.73Å; E845-R857 PolarHBondContact OE2-NH2 2.68Å |
| 846 | I | 91.3 | Very high | 90.4 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.046 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 99.9 | 179.1 | -52.1 | -169.6 | 0 | 0 | 0 | 109.2 | F826 Y827 Y829 H848 R849 L854 | F826-I846 WeakPolarHBondContact CB-O 3.36Å; F826-I846 WeakPolarHBondContact CD1-O 3.49Å; F826-I846 WeakPolarHBondContact CG-O 2.98Å; Y827-I846 HydrophobicContact CD1-CD1 4.29Å; Y827-I846 HydrophobicContact CE1-CD1 3.63Å; Y827-I846 HydrophobicContact CE2-CD1 4.03Å; Y827-I846 VanDerWaalsContact CZ-CD1 3.47Å; Y827-I846 PolarHBondContact O-N 3Å; Y827-I846 VanDerWaalsContact O-N 3.07Å; Y829-I846 HydrophobicContact CD1-CG1 4.48Å; Y829-I846 HydrophobicContact CE1-CD1 4.21Å; Y829-I846 HydrophobicContact CE1-CG1 3.97Å; I846-H848 VanDerWaalsContact CG2-O 3.23Å; I846-H848 WeakPolarHBondContact CG2-O 3.3Å; I846-R849 HydrophobicContact CG2-CG 4.26Å; I846-L854 HydrophobicContact CB-CD2 4.32Å; I846-L854 HydrophobicContact CD1-CD2 4.48Å; I846-L854 HydrophobicContact CG1-CD2 3.76Å; I846-L854 HydrophobicContact CG2-CD2 4.44Å |
| 847 | V | 88.4 | Confident | 90.8 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 14% | 0.139 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -14.9 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | F826 E845 I853 L855 V1051 | F826-V847 WeakPolarHBondContact CE1-O 3.49Å; F826-V847 WeakPolarHBondContact CZ-O 3.31Å; E845-V847 HydrophobicContact CG-CG1 4.16Å; E845-V847 PolarHBondContact O-N 3.19Å; V847-I853 HydrophobicContact CG2-CB 3.93Å; V847-I853 HydrophobicContact CG2-CG2 3.58Å; V847-I853 WeakPolarHBondContact CG2-O 3.16Å; V847-I853 PolarHBondContact N-O 3.41Å; V847-L855 HydrophobicContact CG1-CB 3.92Å; V847-L855 HydrophobicContact CG1-CD2 4.28Å; V847-V1051 HydrophobicContact CG2-CG2 4.26Å |
| 848 | H | 89.4 | Confident | 90.9 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 151.9 | 167.7 | -159.1 | -105.6 | 0 | 0 | 0 | 112.2 | I846 K850 P851 M852 I853 L1047 I1049 | I846-H848 VanDerWaalsContact CG2-O 3.23Å; I846-H848 WeakPolarHBondContact CG2-O 3.3Å; H848-K850 PolarHBondContact CE1-O 3.34Å; H848-P851 CarbonylContact C-O 3.17Å; H848-P851 PolarHBondContact ND1-O 3.07Å; H848-M852 WeakPolarHBondContact O-CA 3.36Å; H848-I853 HydrophobicContact CB-CB 3.92Å; H848-I853 HydrophobicContact CB-CD1 3.97Å; H848-I853 HydrophobicContact CB-CG1 4.01Å; H848-I853 PolarHBondContact N-O 3Å; H848-I853 PolarHBondContact O-N 2.89Å; H848-L1047 VanDerWaalsContact CE1-CD2 3.46Å; H848-L1047 WeakPolarHBondContact CE1-CD2 3.4Å; H848-I1049 HydrophobicContact CB-CD1 3.91Å |
| 849 | R | 83.8 | Confident | 91.1 | Very high | 134 Ų | 134 | 47.8 Ų | 47.8 | 51% | 0.506 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -42.7 | -174.3 | -77.3 | -165.8 | 176.9 | -150.1 | 5.3 | 116.3 | T825 I846 P851 M852 | T825-R849 PolarHBondContact O-NE 3.12Å; T825-R849 PolarHBondContact O-NH2 3.47Å; I846-R849 HydrophobicContact CG2-CG 4.26Å; R849-P851 CarbonylContact C-O 3.55Å; R849-P851 PolarHBondContact N-O 3Å; R849-P851 CarbonylContact O-C 3.41Å; R849-M852 PolarHBondContact O-N 2.91Å |
| 850 | K | 82.8 | Confident | 91.4 | Very high | 120 Ų | 120 | 40.7 Ų | 40.7 | 52% | 0.522 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | 92.6 | -178.8 | -69.9 | -169 | 179.3 | -174.5 | 0 | 110.1 | H848 E1112 | H848-K850 PolarHBondContact CE1-O 3.34Å; K850-E1112 IonicContact NZ-OE1 2.75Å; K850-E1112 PolarHBondContact NZ-OE1 3.36Å |
| 851 | P | 86.6 | Confident | 91.6 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -68.4 | 160 | 1.4 | 29.9 | -35.3 | 0 | 0 | 0 | 112.2 | H848 R849 I853 L1047 R1073 T1074 | H848-P851 CarbonylContact C-O 3.17Å; H848-P851 PolarHBondContact ND1-O 3.07Å; R849-P851 CarbonylContact C-O 3.55Å; R849-P851 PolarHBondContact N-O 3Å; R849-P851 CarbonylContact O-C 3.41Å; P851-I853 HydrophobicContact CG-CG1 4.48Å; P851-I853 PolarHBondContact O-N 3.5Å; P851-L1047 HydrophobicContact CG-CD1 3.96Å; P851-R1073 HydrophobicContact CG-CB 4.15Å; P851-T1074 HydrophobicContact CB-CG2 4.5Å; P851-T1074 HydrophobicContact CG-CG2 4.11Å |
| 852 | M | 88 | Confident | 91.6 | Very high | 91 Ų | 91 | 41.7 Ų | 41.7 | 45% | 0.448 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 116.2 | 173.4 | -177 | -178.7 | -68.8 | 0 | 0 | 109.5 | H848 R849 L854 | H848-M852 WeakPolarHBondContact O-CA 3.36Å; R849-M852 PolarHBondContact O-N 2.91Å; M852-L854 HydrophobicContact CG-CD2 3.84Å; M852-L854 HydrophobicContact CG-CG 4.08Å; M852-L854 HydrophobicContact SD-CD1 4.31Å; M852-L854 HydrophobicContact SD-CD2 4.05Å; M852-L854 HydrophobicContact SD-CG 4.29Å |
| 853 | I | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.9 | 173.7 | -55.3 | 173.9 | 0 | 0 | 0 | 106.8 | V847 H848 P851 F1044 L1047 I1049 V1059 F1060 W1061 | V847-I853 HydrophobicContact CG2-CB 3.93Å; V847-I853 HydrophobicContact CG2-CG2 3.58Å; V847-I853 WeakPolarHBondContact CG2-O 3.16Å; V847-I853 PolarHBondContact N-O 3.41Å; H848-I853 HydrophobicContact CB-CB 3.92Å; H848-I853 HydrophobicContact CB-CD1 3.97Å; H848-I853 HydrophobicContact CB-CG1 4.01Å; H848-I853 PolarHBondContact N-O 3Å; H848-I853 PolarHBondContact O-N 2.89Å; P851-I853 HydrophobicContact CG-CG1 4.48Å; P851-I853 PolarHBondContact O-N 3.5Å; I853-F1044 HydrophobicContact CD1-CD1 4.06Å; I853-F1044 HydrophobicContact CD1-CD2 4.16Å; I853-F1044 HydrophobicContact CD1-CE1 4Å; I853-F1044 HydrophobicContact CD1-CE2 4.09Å; I853-F1044 HydrophobicContact CD1-CG 4.15Å; I853-F1044 HydrophobicContact CD1-CZ 4.01Å; I853-F1044 HydrophobicContact CG2-CE2 4.41Å; I853-F1044 HydrophobicContact CG2-CZ 4.4Å; I853-L1047 HydrophobicContact CD1-CD1 3.63Å; I853-I1049 HydrophobicContact CD1-CD1 3.97Å; I853-V1059 HydrophobicContact CG2-CG2 3.9Å; I853-F1060 WeakPolarHBondContact CA-O 3.27Å; I853-W1061 HydrophobicContact CG1-CB 3.96Å; I853-W1061 HydrophobicContact CG2-CB 4.45Å |
| 854 | L | 93.8 | Very high | 91.8 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 141.2 | -177.2 | -59.4 | -177.3 | 0 | 0 | 0 | 110.2 | E845 I846 M852 F856 V1059 F1060 | E845-L854 WeakPolarHBondContact O-CA 3.5Å; I846-L854 HydrophobicContact CB-CD2 4.32Å; I846-L854 HydrophobicContact CD1-CD2 4.48Å; I846-L854 HydrophobicContact CG1-CD2 3.76Å; I846-L854 HydrophobicContact CG2-CD2 4.44Å; M852-L854 HydrophobicContact CG-CD2 3.84Å; M852-L854 HydrophobicContact CG-CG 4.08Å; M852-L854 HydrophobicContact SD-CD1 4.31Å; M852-L854 HydrophobicContact SD-CD2 4.05Å; M852-L854 HydrophobicContact SD-CG 4.29Å; L854-F856 HydrophobicContact CB-CE2 4.47Å; L854-F856 HydrophobicContact CB-CZ 4.39Å; L854-F856 HydrophobicContact CD1-CE1 4.39Å; L854-F856 HydrophobicContact CD1-CZ 3.98Å; L854-V1059 CarbonylContact O-C 3.51Å; L854-V1059 WeakPolarHBondContact O-CA 3.43Å; L854-F1060 HydrophobicContact CB-CD1 4.39Å; L854-F1060 HydrophobicContact CD1-CD1 4.16Å; L854-F1060 HydrophobicContact CG-CD1 4.44Å; L854-F1060 PolarHBondContact N-O 3.32Å; L854-F1060 PolarHBondContact O-N 3.4Å |
| 855 | L | 94.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 111.4 | 168.6 | -176.6 | 56.8 | 0 | 0 | 0 | 108.2 | E845 V847 V1051 D1057 V1059 | E845-L855 HydrophobicContact CB-CB 4.35Å; E845-L855 PolarHBondContact N-O 3.47Å; E845-L855 PolarHBondContact O-N 3.44Å; V847-L855 HydrophobicContact CG1-CB 3.92Å; V847-L855 HydrophobicContact CG1-CD2 4.28Å; L855-V1051 HydrophobicContact CD1-CG1 4.36Å; L855-V1051 HydrophobicContact CD2-CG1 4.37Å; L855-D1057 HydrophobicContact CD1-CB 4.06Å; L855-V1059 HydrophobicContact CD1-CB 4.28Å |
| 856 | F | 96.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.6 | 174.5 | -61.5 | -69.2 | 0 | 0 | 0 | 109.4 | K831 I842 K843 A844 L854 V859 M941 L1029 D1057 A1058 F1060 | K831-F856 HydrophobicContact CD-CE1 4.29Å; I842-F856 HydrophobicContact CG2-CB 4.38Å; I842-F856 HydrophobicContact CG2-CD1 3.83Å; I842-F856 HydrophobicContact CG2-CG 4.46Å; K843-F856 WeakPolarHBondContact O-CA 3.16Å; A844-F856 HydrophobicContact CB-CD1 3.92Å; A844-F856 HydrophobicContact CB-CE1 4.03Å; L854-F856 HydrophobicContact CB-CE2 4.47Å; L854-F856 HydrophobicContact CB-CZ 4.39Å; L854-F856 HydrophobicContact CD1-CE1 4.39Å; L854-F856 HydrophobicContact CD1-CZ 3.98Å; F856-V859 HydrophobicContact CB-CG1 3.74Å; F856-V859 HydrophobicContact CB-CG2 4.07Å; F856-M941 HydrophobicContact CB-CE 4.07Å; F856-M941 HydrophobicContact CD2-CB 4.42Å; F856-M941 HydrophobicContact CD2-CE 3.62Å; F856-M941 HydrophobicContact CE1-CB 4.46Å; F856-M941 HydrophobicContact CE2-CB 4.07Å; F856-M941 HydrophobicContact CE2-CE 4.25Å; F856-M941 HydrophobicContact CG-CE 3.97Å; F856-M941 HydrophobicContact CZ-CB 4.09Å; F856-M941 WeakPolarHBondContact CZ-O 3.34Å; F856-L1029 HydrophobicContact CD2-CD1 4.25Å; F856-L1029 HydrophobicContact CE2-CD1 4.12Å; F856-D1057 CarbonylContact O-C 3.48Å; F856-D1057 VanDerWaalsContact O-CA 3.29Å; F856-D1057 WeakPolarHBondContact O-CA 3.4Å; F856-D1057 WeakPolarHBondContact O-CB 3.43Å; F856-A1058 PolarHBondContact N-O 3.27Å; F856-A1058 PolarHBondContact O-N 3.04Å; F856-F1060 HydrophobicContact CD2-CB 4.2Å; F856-F1060 HydrophobicContact CE2-CB 3.67Å; F856-F1060 HydrophobicContact CE2-CD1 4.25Å; F856-F1060 HydrophobicContact CE2-CG 4.09Å |
| 857 | R | 94.7 | Very high | 91.6 | Very high | 75 Ų | 75 | 49.4 Ų | 49.4 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 138.8 | -175.4 | -54.7 | -67 | -164.4 | 157.6 | 4.6 | 112.1 | K843 E845 D1057 | K843-R857 HydrophobicContact CB-CB 3.82Å; K843-R857 HydrophobicContact CD-CB 3.93Å; K843-R857 PolarHBondContact O-N 3.47Å; E845-R857 IonicContact OE1-NH2 2.85Å; E845-R857 IonicContact OE2-CZ 3.27Å; E845-R857 IonicContact OE2-NE 2.74Å; E845-R857 PolarHBondContact OE2-NE 2.79Å; E845-R857 IonicContact OE2-NH2 2.73Å; E845-R857 PolarHBondContact OE2-NH2 2.68Å; R857-D1057 WeakPolarHBondContact CA-OD1 3.39Å; R857-D1057 VanDerWaalsContact CD-CG 3.49Å; R857-D1057 WeakPolarHBondContact CD-OD2 3.36Å; R857-D1057 IonicContact CZ-OD2 3.48Å; R857-D1057 IonicContact NE-OD2 2.92Å; R857-D1057 IonicContact NH1-OD2 2.66Å; R857-D1057 PolarHBondContact NH1-OD2 3.49Å |
| 858 | D | 93.5 | Very high | 91.8 | Very high | 83 Ų | 83 | 48.3 Ų | 48.3 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 53.6 | 47.3 | 178.9 | -63.3 | -72.6 | 0 | 0 | 0 | 115.1 | K843 R1056 D1057 | K843-D858 IonicContact NZ-OD2 3.4Å; K843-D858 PolarHBondContact NZ-OD2 3.33Å; D858-R1056 IonicContact OD1-NH1 3.62Å; D858-D1057 PolarHBondContact N-OD1 2.82Å |
| 859 | V | 94.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | trans | -97.4 | -5.8 | -173.4 | -76.4 | 0 | 0 | 0 | 0 | 116 | I842 F856 R937 M941 F1031 R1056 A1058 | I842-V859 HydrophobicContact CD1-CG1 4.48Å; I842-V859 HydrophobicContact CG2-CG1 3.64Å; F856-V859 HydrophobicContact CB-CG1 3.74Å; F856-V859 HydrophobicContact CB-CG2 4.07Å; V859-R937 VanDerWaalsContact O-CD 3.22Å; V859-R937 WeakPolarHBondContact O-CD 3.22Å; V859-R937 PolarHBondContact O-NH1 3.34Å; V859-M941 HydrophobicContact CB-CE 3.97Å; V859-M941 HydrophobicContact CB-SD 4Å; V859-M941 HydrophobicContact CG1-CE 4.02Å; V859-M941 HydrophobicContact CG1-SD 4.01Å; V859-M941 HydrophobicContact CG2-CE 3.84Å; V859-M941 HydrophobicContact CG2-SD 4.5Å; V859-F1031 HydrophobicContact CB-CE1 4.32Å; V859-F1031 HydrophobicContact CG2-CD1 4.04Å; V859-F1031 HydrophobicContact CG2-CE1 3.82Å; V859-R1056 WeakPolarHBondContact CG2-O 3.48Å; V859-R1056 PolarHBondContact N-O 2.78Å; V859-A1058 HydrophobicContact CG2-CB 3.69Å | ||
| 860 | I | 94.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -139 | 134.4 | 172 | -172.8 | 170.9 | 0 | 0 | 0 | 110.4 | E864 I865 L868 V934 F1031 R1056 | I860-E864 HydrophobicContact CD1-CB 3.96Å; I860-E864 HydrophobicContact CG1-CB 3.6Å; I860-E864 HydrophobicContact CG1-CG 4.45Å; I860-I865 HydrophobicContact CD1-CG1 4.28Å; I860-I865 HydrophobicContact CG1-CG1 4.31Å; I860-I865 HydrophobicContact CG2-CD1 4.1Å; I860-I865 HydrophobicContact CG2-CG1 4.19Å; I860-L868 HydrophobicContact CD1-CD1 3.61Å; I860-V934 HydrophobicContact CD1-CG2 3.92Å; I860-V934 HydrophobicContact CG1-CG2 4.41Å; I860-F1031 HydrophobicContact CB-CD1 4.07Å; I860-F1031 HydrophobicContact CB-CE1 4.22Å; I860-F1031 HydrophobicContact CG2-CD1 3.78Å; I860-F1031 HydrophobicContact CG2-CE1 4.41Å; I860-R1056 HydrophobicContact CG2-CB 4.46Å; I860-R1056 PolarHBondContact N-O 3.15Å; I860-R1056 WeakPolarHBondContact O-CB 3.12Å; I860-R1056 WeakPolarHBondContact O-CD 3.49Å; I860-R1056 WeakPolarHBondContact O-CG 3.37Å |
| 861 | S | 94.4 | Very high | 92 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | trans | -83.3 | 160.4 | -178.6 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | R863 E864 I865 | S861-R863 VanDerWaalsContact C-N 3.3Å; S861-R863 PolarHBondContact O-N 3.23Å; S861-E864 VanDerWaalsContact CB-OE2 3.3Å; S861-E864 WeakPolarHBondContact CB-OE2 3.17Å; S861-E864 PolarHBondContact N-OE2 2.75Å; S861-E864 WeakPolarHBondContact O-CB 3.44Å; S861-E864 PolarHBondContact O-N 3.47Å; S861-E864 WeakPolarHBondContact OG-CG 3.36Å; S861-E864 PolarHBondContact OG-OE2 3.33Å; S861-I865 PolarHBondContact O-N 3.47Å | ||
| 862 | D | 92.8 | Very high | 91.9 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.3 | -41.8 | 178.7 | -67.7 | -21.7 | 0 | 0 | 0 | 111.9 | E864 I865 D866 K1055 R1056 | D862-E864 PolarHBondContact O-N 2.75Å; D862-I865 WeakPolarHBondContact O-CA 3.24Å; D862-I865 WeakPolarHBondContact O-CB 3.49Å; D862-I865 PolarHBondContact O-N 2.7Å; D862-I865 VanDerWaalsContact O-N 3.11Å; D862-D866 PolarHBondContact O-N 3.47Å; D862-K1055 VanDerWaalsContact CG-NZ 3.28Å; D862-K1055 VanDerWaalsContact OD1-CE 3.28Å; D862-K1055 WeakPolarHBondContact OD1-CE 3.16Å; D862-K1055 IonicContact OD1-NZ 2.82Å; D862-K1055 PolarHBondContact OD1-NZ 3.48Å; D862-K1055 IonicContact OD2-NZ 3.53Å; D862-R1056 IonicContact OD1-CZ 2.75Å; D862-R1056 IonicContact OD1-NE 3.47Å; D862-R1056 PolarHBondContact OD1-NE 2.78Å; D862-R1056 IonicContact OD1-NH2 2.77Å; D862-R1056 PolarHBondContact OD1-NH2 2.75Å; D862-R1056 IonicContact OD2-CZ 3.33Å; D862-R1056 IonicContact OD2-NE 2.78Å; D862-R1056 IonicContact OD2-NH2 3.24Å; D862-R1056 PolarHBondContact OD2-NH2 3.23Å |
| 863 | R | 94.4 | Very high | 91.1 | Very high | 200 Ų | 200 | 44.7 Ų | 44.7 | 76% | 0.755 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -56.1 | -37.4 | 175.4 | 179.9 | -177.6 | 175.4 | -160.3 | -2.4 | 112.7 | S861 V867 | S861-R863 VanDerWaalsContact C-N 3.3Å; S861-R863 PolarHBondContact O-N 3.23Å; R863-V867 VanDerWaalsContact O-CG2 3.27Å; R863-V867 WeakPolarHBondContact O-CG2 3.25Å; R863-V867 PolarHBondContact O-N 2.87Å |
| 864 | E | 95.4 | Very high | 90.1 | Very high | 17 Ų | 17 | 50 Ų | 50 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -76.2 | -41.1 | 178.1 | -63.6 | 166.4 | 90.3 | 0 | 0 | 111.2 | I860 S861 D862 D866 V867 L868 V930 V934 R937 | I860-E864 HydrophobicContact CD1-CB 3.96Å; I860-E864 HydrophobicContact CG1-CB 3.6Å; I860-E864 HydrophobicContact CG1-CG 4.45Å; S861-E864 VanDerWaalsContact CB-OE2 3.3Å; S861-E864 WeakPolarHBondContact CB-OE2 3.17Å; S861-E864 PolarHBondContact N-OE2 2.75Å; S861-E864 WeakPolarHBondContact O-CB 3.44Å; S861-E864 PolarHBondContact O-N 3.47Å; S861-E864 WeakPolarHBondContact OG-CG 3.36Å; S861-E864 PolarHBondContact OG-OE2 3.33Å; D862-E864 PolarHBondContact O-N 2.75Å; E864-D866 VanDerWaalsContact C-N 3.31Å; E864-D866 PolarHBondContact O-N 3.05Å; E864-V867 PolarHBondContact O-N 2.86Å; E864-L868 WeakPolarHBondContact O-CB 3.46Å; E864-L868 VanDerWaalsContact O-CG 3.31Å; E864-L868 WeakPolarHBondContact O-CG 3.15Å; E864-L868 PolarHBondContact O-N 3.46Å; E864-V930 HydrophobicContact CB-CG1 3.77Å; E864-V930 HydrophobicContact CG-CG1 3.79Å; E864-V934 WeakPolarHBondContact OE1-CG2 3.27Å; E864-R937 IonicContact OE1-CZ 3.11Å; E864-R937 IonicContact OE1-NH1 3.67Å; E864-R937 PolarHBondContact OE1-NH1 2.74Å; E864-R937 IonicContact OE1-NH2 2.97Å; E864-R937 PolarHBondContact OE1-NH2 2.83Å; E864-R937 IonicContact OE2-NH1 3.38Å; E864-R937 PolarHBondContact OE2-NH1 3.04Å; E864-R937 IonicContact OE2-NH2 3.65Å |
| 865 | I | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.4 | -47.6 | 171.6 | -82.9 | 166.1 | 0 | 0 | 0 | 111.1 | I860 S861 D862 L868 K869 I1033 K1055 R1056 | I860-I865 HydrophobicContact CD1-CG1 4.28Å; I860-I865 HydrophobicContact CG1-CG1 4.31Å; I860-I865 HydrophobicContact CG2-CD1 4.1Å; I860-I865 HydrophobicContact CG2-CG1 4.19Å; S861-I865 PolarHBondContact O-N 3.47Å; D862-I865 WeakPolarHBondContact O-CA 3.24Å; D862-I865 WeakPolarHBondContact O-CB 3.49Å; D862-I865 PolarHBondContact O-N 2.7Å; D862-I865 VanDerWaalsContact O-N 3.11Å; I865-L868 PolarHBondContact O-N 2.69Å; I865-K869 WeakPolarHBondContact O-CB 3.31Å; I865-K869 WeakPolarHBondContact O-CG 3.43Å; I865-K869 PolarHBondContact O-N 2.73Å; I865-I1033 HydrophobicContact CB-CG2 4.4Å; I865-I1033 HydrophobicContact CG1-CB 4.44Å; I865-I1033 HydrophobicContact CG1-CG1 4.36Å; I865-I1033 HydrophobicContact CG1-CG2 4.21Å; I865-I1033 HydrophobicContact CG2-CG2 3.85Å; I865-K1055 HydrophobicContact CD1-CG 4.1Å; I865-R1056 HydrophobicContact CD1-CG 4.05Å |
| 866 | D | 90.2 | Very high | 87.8 | Confident | 83 Ų | 83 | 54.3 Ų | 54.3 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | -178 | -60.6 | -27.4 | 0 | 0 | 0 | 111.6 | D862 E864 K869 T870 | D862-D866 PolarHBondContact O-N 3.47Å; E864-D866 VanDerWaalsContact C-N 3.31Å; E864-D866 PolarHBondContact O-N 3.05Å; D866-K869 PolarHBondContact O-N 2.95Å; D866-T870 WeakPolarHBondContact O-CB 3.48Å; D866-T870 PolarHBondContact O-N 3.43Å; D866-T870 PolarHBondContact O-OG1 3.48Å |
| 867 | V | 92.2 | Very high | 85.8 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 20% | 0.2 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 173.1 | 165 | 0 | 0 | 0 | 0 | 111.4 | R863 E864 K869 T870 L871 H928 V930 | R863-V867 VanDerWaalsContact O-CG2 3.27Å; R863-V867 WeakPolarHBondContact O-CG2 3.25Å; R863-V867 PolarHBondContact O-N 2.87Å; E864-V867 PolarHBondContact O-N 2.86Å; V867-K869 PolarHBondContact O-N 3.14Å; V867-T870 PolarHBondContact O-N 2.92Å; V867-L871 HydrophobicContact CG1-CD1 3.76Å; V867-L871 HydrophobicContact CG1-CG 4.48Å; V867-L871 WeakPolarHBondContact O-CB 3.14Å; V867-L871 VanDerWaalsContact O-CG 3.27Å; V867-L871 WeakPolarHBondContact O-CG 3.22Å; V867-L871 PolarHBondContact O-N 2.91Å; V867-H928 WeakPolarHBondContact CG1-ND1 3.4Å; V867-V930 HydrophobicContact CB-CG1 4.49Å; V867-V930 HydrophobicContact CG1-CB 3.94Å; V867-V930 HydrophobicContact CG1-CG1 4.11Å; V867-V930 HydrophobicContact CG1-CG2 4.13Å |
| 868 | L | 92.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 177.4 | -69.5 | 179.8 | 0 | 0 | 0 | 111.5 | I860 E864 I865 A872 L923 V931 L952 I954 I1033 | I860-L868 HydrophobicContact CD1-CD1 3.61Å; E864-L868 WeakPolarHBondContact O-CB 3.46Å; E864-L868 VanDerWaalsContact O-CG 3.31Å; E864-L868 WeakPolarHBondContact O-CG 3.15Å; E864-L868 PolarHBondContact O-N 3.46Å; I865-L868 PolarHBondContact O-N 2.69Å; L868-A872 WeakPolarHBondContact O-CB 3.46Å; L868-A872 PolarHBondContact O-N 2.88Å; L868-L923 HydrophobicContact CD2-CD1 3.84Å; L868-V931 HydrophobicContact CD2-CG2 3.87Å; L868-L952 HydrophobicContact CD1-CD2 4.3Å; L868-L952 HydrophobicContact CD2-CD2 4Å; L868-I954 HydrophobicContact CB-CD1 4.23Å; L868-I954 HydrophobicContact CD1-CD1 4.26Å; L868-I954 HydrophobicContact CD2-CD1 4.38Å; L868-I1033 HydrophobicContact CB-CD1 4.33Å; L868-I1033 HydrophobicContact CD1-CD1 4.07Å |
| 869 | K | 87.2 | Confident | 81.7 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 27% | 0.274 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 172.7 | -78.5 | -174.3 | 173.1 | -170 | 0 | 111.8 | I865 D866 V867 L871 A872 Y873 I1033 W1087 | I865-K869 WeakPolarHBondContact O-CB 3.31Å; I865-K869 WeakPolarHBondContact O-CG 3.43Å; I865-K869 PolarHBondContact O-N 2.73Å; D866-K869 PolarHBondContact O-N 2.95Å; V867-K869 PolarHBondContact O-N 3.14Å; K869-L871 VanDerWaalsContact C-N 3.33Å; K869-L871 PolarHBondContact O-N 2.84Å; K869-A872 PolarHBondContact O-N 3.38Å; K869-A872 VanDerWaalsContact O-N 3.13Å; K869-Y873 WeakPolarHBondContact O-CB 3.3Å; K869-Y873 PolarHBondContact O-N 2.77Å; K869-I1033 HydrophobicContact CD-CG2 4.45Å; K869-I1033 HydrophobicContact CG-CG2 4.06Å; K869-W1087 HydrophobicContact CD-CD2 4.44Å; K869-W1087 HydrophobicContact CG-CD2 4.16Å; K869-W1087 HydrophobicContact CG-CE3 3.99Å; K869-W1087 HydrophobicContact CG-CH2 4.35Å; K869-W1087 HydrophobicContact CG-CZ3 4.09Å |
| 870 | T | 86.1 | Confident | 79.4 | Confident | 103 Ų | 103 | 54.6 Ų | 54.6 | 63% | 0.632 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.9 | -41.4 | -179.2 | -57.1 | 0 | 0 | 0 | 0 | 112 | D866 V867 P874 | D866-T870 WeakPolarHBondContact O-CB 3.48Å; D866-T870 PolarHBondContact O-N 3.43Å; D866-T870 PolarHBondContact O-OG1 3.48Å; V867-T870 PolarHBondContact O-N 2.92Å; T870-P874 VanDerWaalsContact O-CD 3.28Å; T870-P874 WeakPolarHBondContact O-CD 3.34Å |
| 871 | L | 87.8 | Confident | 77 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.3 | -32.6 | 176.5 | -66.9 | 165.7 | 0 | 0 | 0 | 112.6 | V867 K869 L923 H928 V931 | V867-L871 HydrophobicContact CG1-CD1 3.76Å; V867-L871 HydrophobicContact CG1-CG 4.48Å; V867-L871 WeakPolarHBondContact O-CB 3.14Å; V867-L871 VanDerWaalsContact O-CG 3.27Å; V867-L871 WeakPolarHBondContact O-CG 3.22Å; V867-L871 PolarHBondContact O-N 2.91Å; K869-L871 VanDerWaalsContact C-N 3.33Å; K869-L871 PolarHBondContact O-N 2.84Å; L871-L923 HydrophobicContact CB-CD1 3.9Å; L871-L923 HydrophobicContact CB-CD2 3.88Å; L871-L923 HydrophobicContact CD1-CD1 4.49Å; L871-H928 HydrophobicContact CD1-CB 3.49Å; L871-H928 VanDerWaalsContact CD1-CB 3.49Å; L871-H928 HydrophobicContact CD2-CB 4.39Å; L871-V931 HydrophobicContact CD1-CG2 4.16Å |
| 872 | A | 83 | Confident | 74.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -77.8 | -39.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L868 K869 K875 L876 A921 I954 W1087 | L868-A872 WeakPolarHBondContact O-CB 3.46Å; L868-A872 PolarHBondContact O-N 2.88Å; K869-A872 PolarHBondContact O-N 3.38Å; K869-A872 VanDerWaalsContact O-N 3.13Å; A872-K875 CarbonylContact O-C 3.57Å; A872-K875 VanDerWaalsContact O-CA 3.31Å; A872-K875 WeakPolarHBondContact O-CA 3.36Å; A872-K875 WeakPolarHBondContact O-CB 3.21Å; A872-K875 PolarHBondContact O-N 2.64Å; A872-L876 WeakPolarHBondContact O-CG 3.46Å; A872-L876 PolarHBondContact O-N 2.92Å; A872-L876 VanDerWaalsContact O-N 3.1Å; A872-A921 HydrophobicContact CB-CB 3.81Å; A872-I954 HydrophobicContact CB-CB 3.76Å; A872-I954 HydrophobicContact CB-CG1 4.06Å; A872-I954 HydrophobicContact CB-CG2 3.62Å; A872-W1087 HydrophobicContact CB-CZ3 4.31Å |
| 873 | Y | 72.4 | Confident | 72 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -49.1 | -53.7 | -171.1 | -157.6 | -91.4 | 0 | 0 | 0 | 114.3 | E549 N550 K869 K875 L876 W1087 | E549-Y873 VanDerWaalsContact OE2-CE2 3.24Å; E549-Y873 WeakPolarHBondContact OE2-CE2 3.29Å; E549-Y873 PolarHBondContact OE2-OH 2.88Å; N550-Y873 PolarHBondContact ND2-OH 3.29Å; K869-Y873 WeakPolarHBondContact O-CB 3.3Å; K869-Y873 PolarHBondContact O-N 2.77Å; Y873-K875 PolarHBondContact O-N 3.37Å; Y873-L876 PolarHBondContact O-N 3.36Å; Y873-W1087 HydrophobicContact CD2-CH2 4.27Å |
| 874 | P | 71.1 | Confident | 69.1 | Low | 111 Ų | 111 | 49.6 Ų | 49.6 | 72% | 0.721 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -71.3 | -14 | 177.6 | 31 | -37.1 | 0 | 0 | 0 | 113.8 | T870 | T870-P874 VanDerWaalsContact O-CD 3.28Å; T870-P874 WeakPolarHBondContact O-CD 3.34Å |
| 875 | K | 73.6 | Confident | 66.3 | Low | 87 Ų | 87 | 56.4 Ų | 56.4 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -95 | -1 | 177.7 | -65.4 | -177.1 | 178.4 | -171.4 | 0 | 113.3 | A872 Y873 A877 A921 L923 D927 | A872-K875 CarbonylContact O-C 3.57Å; A872-K875 VanDerWaalsContact O-CA 3.31Å; A872-K875 WeakPolarHBondContact O-CA 3.36Å; A872-K875 WeakPolarHBondContact O-CB 3.21Å; A872-K875 PolarHBondContact O-N 2.64Å; Y873-K875 PolarHBondContact O-N 3.37Å; K875-A877 PolarHBondContact O-N 2.85Å; K875-A921 HydrophobicContact CB-CB 3.56Å; K875-L923 HydrophobicContact CD-CD2 3.86Å; K875-D927 IonicContact NZ-OD1 3.82Å; K875-D927 PolarHBondContact NZ-OD1 3.05Å; K875-D927 VanDerWaalsContact NZ-OD1 3.14Å; K875-D927 IonicContact NZ-OD2 3.09Å; K875-D927 PolarHBondContact NZ-OD2 3.1Å |
| 876 | L | 65.1 | Low | 63.9 | Low | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | trans | -73.3 | 88.1 | -173.1 | -77.8 | -175.6 | 0 | 0 | 0 | 114.2 | A872 Y873 K919 A921 N956 W1087 | A872-L876 WeakPolarHBondContact O-CG 3.46Å; A872-L876 PolarHBondContact O-N 2.92Å; A872-L876 VanDerWaalsContact O-N 3.1Å; Y873-L876 PolarHBondContact O-N 3.36Å; L876-K919 HydrophobicContact CB-CB 4.23Å; L876-K919 HydrophobicContact CB-CD 4.18Å; L876-K919 HydrophobicContact CD2-CB 4.12Å; L876-K919 PolarHBondContact O-NZ 3.29Å; L876-A921 HydrophobicContact CD2-CB 4.08Å; L876-N956 HydrophobicContact CD1-CB 4.34Å; L876-W1087 HydrophobicContact CD1-CH2 3.72Å; L876-W1087 HydrophobicContact CD1-CZ3 4.17Å | ||
| 877 | A | 54.5 | Low | 61.4 | Low | 42 Ų | 42 | 56.6 Ų | 56.6 | 35% | 0.347 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 162.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112 | K875 K919 S920 | K875-A877 PolarHBondContact O-N 2.85Å; A877-K919 CarbonylContact O-C 3.57Å; A877-K919 WeakPolarHBondContact O-CA 3.36Å; A877-K919 VanDerWaalsContact O-CB 3.26Å; A877-K919 WeakPolarHBondContact O-CB 3.46Å; A877-K919 WeakPolarHBondContact O-CG 3.5Å; A877-S920 PolarHBondContact N-O 3.03Å; A877-S920 PolarHBondContact O-N 3.45Å |
| 878 | R | 53.4 | Low | 58.9 | Low | 98 Ų | 98 | 60.4 Ų | 60.4 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 136 | 165.4 | -176.4 | 173.8 | -180 | 132.5 | 2.9 | 108.4 | A544 T880 | A544-R878 VanDerWaalsContact CB-NH1 3.34Å; R878-T880 PolarHBondContact O-N 2.88Å |
| 879 | A | 49.4 | Very low | 56.4 | Low | 19 Ų | 19 | 64.9 Ų | 64.9 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 130 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R916 S918 S920 | A879-R916 HydrophobicContact CB-CG 4.36Å; A879-R916 VanDerWaalsContact CB-NE 3.32Å; A879-S918 WeakPolarHBondContact CB-O 3.29Å; A879-S918 PolarHBondContact N-O 2.81Å; A879-S920 WeakPolarHBondContact CA-OG 3.4Å |
| 880 | T | 46.2 | Very low | 54.1 | Low | 14 Ų | 14 | 66.5 Ų | 66.5 | 9% | 0.086 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 146.7 | 177.3 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | R878 T891 | R878-T880 PolarHBondContact O-N 2.88Å; T880-T891 HydrophobicContact CG2-CG2 4.15Å; T880-T891 WeakPolarHBondContact CG2-OG1 3.47Å |
| 881 | V | 42.2 | Very low | 51.7 | Low | 48 Ų | 48 | 64.6 Ų | 64.6 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.5 | 171.3 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | N883 E890 Y915 | V881-N883 PolarHBondContact O-N 2.91Å; V881-E890 PolarHBondContact N-O 3Å; V881-E890 PolarHBondContact O-N 3.37Å; V881-Y915 HydrophobicContact CG2-CE2 4.12Å |
| 882 | Q | 42.8 | Very low | 49 | Very low | 51 Ų | 51 | 64.7 Ų | 64.7 | 24% | 0.238 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.8 | 178.8 | -161.1 | 173.2 | 9.7 | 0 | 0 | 108.8 | A884 G887 L888 L889 | Q882-A884 PolarHBondContact O-N 2.72Å; Q882-G887 WeakPolarHBondContact CG-O 3.3Å; Q882-G887 PolarHBondContact NE2-O 2.89Å; Q882-L888 CarbonylContact C-O 3.52Å; Q882-L888 WeakPolarHBondContact CA-O 3.22Å; Q882-L889 HydrophobicContact CB-CD2 4.14Å; Q882-L889 HydrophobicContact CG-CD2 4.44Å |
| 883 | N | 39.8 | Very low | 46.3 | Very low | 40 Ų | 40 | 70.6 Ų | 70.6 | 21% | 0.214 | 39% | 0.393 | C | S | . | . | trans | -68.4 | 118.9 | -179.5 | 171.4 | -12.1 | 0 | 0 | 0 | 109 | V881 Q885 T886 G887 L888 E890 | V881-N883 PolarHBondContact O-N 2.91Å; N883-Q885 PolarHBondContact O-N 2.92Å; N883-Q885 VanDerWaalsContact O-N 3.09Å; N883-Q885 PolarHBondContact OD1-N 2.84Å; N883-T886 WeakPolarHBondContact CB-OG1 3.16Å; N883-T886 PolarHBondContact O-N 3.02Å; N883-G887 WeakPolarHBondContact O-CA 3Å; N883-G887 PolarHBondContact O-N 2.91Å; N883-L888 PolarHBondContact N-O 2.72Å; N883-E890 HydrophobicContact CB-CG 4.2Å; N883-E890 WeakPolarHBondContact CB-OE1 3.47Å; N883-E890 VanDerWaalsContact ND2-CD 3.33Å; N883-E890 PolarHBondContact ND2-OE1 3.23Å; N883-E890 PolarHBondContact ND2-OE2 2.93Å | ||
| 884 | A | 33.8 | Very low | 44.3 | Very low | 62 Ų | 62 | 69 Ų | 69 | 51% | 0.512 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q882 | Q882-A884 PolarHBondContact O-N 2.72Š|
| 885 | Q | 37.2 | Very low | 42.1 | Very low | 159 Ų | 159 | 70 Ų | 70 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -35.4 | 177.2 | -63.9 | -178.4 | -2.7 | 0 | 0 | 113.2 | N883 | N883-Q885 PolarHBondContact O-N 2.92Å; N883-Q885 VanDerWaalsContact O-N 3.09Å; N883-Q885 PolarHBondContact OD1-N 2.84Å |
| 886 | T | 41.1 | Very low | 40 | Very low | 70 Ų | 70 | 68.8 Ų | 68.8 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -18.9 | -172.8 | 64 | 0 | 0 | 0 | 0 | 113.4 | N883 L888 | N883-T886 WeakPolarHBondContact CB-OG1 3.16Å; N883-T886 PolarHBondContact O-N 3.02Å; T886-L888 PolarHBondContact O-N 3.43Å; T886-L888 PolarHBondContact OG1-N 3.11Å |
| 887 | G | 38.4 | Very low | 38.2 | Very low | 17 Ų | 17 | 69.6 Ų | 69.6 | 18% | 0.175 | 38% | 0.381 | C | S | . | . | trans | 68.2 | 5.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q882 N883 | Q882-G887 WeakPolarHBondContact CG-O 3.3Å; Q882-G887 PolarHBondContact NE2-O 2.89Å; N883-G887 WeakPolarHBondContact O-CA 3Å; N883-G887 PolarHBondContact O-N 2.91Å | ||
| 888 | L | 39.8 | Very low | 36.9 | Very low | 113 Ų | 113 | 70.2 Ų | 70.2 | 59% | 0.592 | 38% | 0.376 | S | S | * | . | trans | -86.4 | 145.3 | 179.8 | -70.2 | 168.3 | 0 | 0 | 0 | 111.3 | Q882 N883 T886 E890 | Q882-L888 CarbonylContact C-O 3.52Å; Q882-L888 WeakPolarHBondContact CA-O 3.22Å; N883-L888 PolarHBondContact N-O 2.72Å; T886-L888 PolarHBondContact O-N 3.43Å; T886-L888 PolarHBondContact OG1-N 3.11Å; L888-E890 VanDerWaalsContact C-N 3.35Å; L888-E890 PolarHBondContact O-N 3.4Å | ||
| 889 | L | 40.3 | Very low | 35.9 | Very low | 94 Ų | 94 | 70.7 Ų | 70.7 | 49% | 0.492 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 87.5 | 170.2 | -74.3 | 171.5 | 0 | 0 | 0 | 109.7 | Q882 T891 W922 | Q882-L889 HydrophobicContact CB-CD2 4.14Å; Q882-L889 HydrophobicContact CG-CD2 4.44Å; L889-T891 PolarHBondContact O-N 2.82Å; L889-T891 VanDerWaalsContact O-N 3.11Å; L889-W922 HydrophobicContact CD2-CZ2 4.35Å |
| 890 | E | 37.4 | Very low | 35 | Very low | 97 Ų | 97 | 71.5 Ų | 71.5 | 45% | 0.453 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 106.7 | 176.2 | -81.2 | 173.4 | -151.4 | 0 | 0 | 109.8 | V881 N883 L888 | V881-E890 PolarHBondContact N-O 3Å; V881-E890 PolarHBondContact O-N 3.37Å; N883-E890 HydrophobicContact CB-CG 4.2Å; N883-E890 WeakPolarHBondContact CB-OE1 3.47Å; N883-E890 VanDerWaalsContact ND2-CD 3.33Å; N883-E890 PolarHBondContact ND2-OE1 3.23Å; N883-E890 PolarHBondContact ND2-OE2 2.93Å; L888-E890 VanDerWaalsContact C-N 3.35Å; L888-E890 PolarHBondContact O-N 3.4Å |
| 891 | T | 37.2 | Very low | 34.4 | Very low | 64 Ų | 64 | 73.4 Ų | 73.4 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | trans | -76.5 | 130.1 | 160.1 | -53.4 | 0 | 0 | 0 | 0 | 107.5 | T880 L889 T893 | T880-T891 HydrophobicContact CG2-CG2 4.15Å; T880-T891 WeakPolarHBondContact CG2-OG1 3.47Å; L889-T891 PolarHBondContact O-N 2.82Å; L889-T891 VanDerWaalsContact O-N 3.11Å; T891-T893 HydrophobicContact CG2-CG2 3.8Å; T891-T893 PolarHBondContact O-N 2.82Å | ||
| 892 | A | 31 | Very low | 34.1 | Very low | 46 Ų | 46 | 74.9 Ų | 74.9 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | trans | -68 | 78.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y894 | A892-Y894 HydrophobicContact CB-CD2 4.05Å; A892-Y894 HydrophobicContact CB-CE2 3.58Å; A892-Y894 PolarHBondContact O-N 2.93Å | ||
| 893 | T | 25.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 78.4 Ų | 78.4 | 76% | 0.761 | 42% | 0.421 | S | S | * | . | trans | -76.1 | 43.6 | -172.7 | 43.1 | 0 | 0 | 0 | 0 | 113.2 | T891 | T891-T893 HydrophobicContact CG2-CG2 3.8Å; T891-T893 PolarHBondContact O-N 2.82Å | ||
| 894 | Y | 30.3 | Very low | 33.8 | Very low | 71 Ų | 71 | 77.7 Ų | 77.7 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | trans | -146.5 | 149.1 | -168.7 | 49.6 | -132.9 | 0 | 0 | 0 | 111.8 | F542 A892 | F542-Y894 HydrophobicContact CB-CD1 4.32Å; F542-Y894 HydrophobicContact CB-CD2 3.12Å; F542-Y894 HydrophobicContact CB-CE2 3.7Å; F542-Y894 HydrophobicContact CB-CG 3.45Å; F542-Y894 VanDerWaalsContact CB-CG 3.45Å; F542-Y894 HydrophobicContact CD1-CD1 4.08Å; F542-Y894 AromaticContact CD1-CD2 3.97Å; F542-Y894 HydrophobicContact CD1-CD2 3.97Å; F542-Y894 AromaticContact CD1-CE1 4Å; F542-Y894 HydrophobicContact CD1-CE1 4Å; F542-Y894 AromaticContact CD1-CE2 3.84Å; F542-Y894 HydrophobicContact CD1-CE2 3.84Å; F542-Y894 HydrophobicContact CD1-CG 4.05Å; F542-Y894 AromaticContact CD1-CZ 3.85Å; F542-Y894 AromaticContact CD2-CD1 3.98Å; F542-Y894 HydrophobicContact CD2-CD1 3.98Å; F542-Y894 HydrophobicContact CD2-CD2 4.29Å; F542-Y894 AromaticContact CD2-CG 3.74Å; F542-Y894 HydrophobicContact CD2-CG 3.74Å; F542-Y894 HydrophobicContact CE1-CD1 4.36Å; F542-Y894 HydrophobicContact CE1-CE1 4.16Å; F542-Y894 HydrophobicContact CE2-CD1 4.29Å; F542-Y894 HydrophobicContact CE2-CG 4.49Å; F542-Y894 AromaticContact CG-CD1 3.88Å; F542-Y894 HydrophobicContact CG-CD1 3.88Å; F542-Y894 AromaticContact CG-CD2 3.58Å; F542-Y894 HydrophobicContact CG-CD2 3.58Å; F542-Y894 HydrophobicContact CG-CE1 4.27Å; F542-Y894 AromaticContact CG-CE2 3.95Å; F542-Y894 HydrophobicContact CG-CE2 3.95Å; F542-Y894 AromaticContact CG-CG 3.49Å; F542-Y894 HydrophobicContact CG-CG 3.49Å; F542-Y894 VanDerWaalsContact CG-CG 3.49Å; F542-Y894 HydrophobicContact CZ-CD1 4.47Å; A892-Y894 HydrophobicContact CB-CD2 4.05Å; A892-Y894 HydrophobicContact CB-CE2 3.58Å; A892-Y894 PolarHBondContact O-N 2.93Å | ||
| 895 | R | 25.7 | Very low | 34 | Very low | 131 Ų | 131 | 82.3 Ų | 82.3 | 49% | 0.494 | 43% | 0.426 | S | S | . | . | trans | -135.7 | 103.8 | -133 | 179.5 | -153.8 | -158.8 | -159.5 | 12.3 | 113.8 | F542 | F542-R895 CarbonylContact O-C 3.59Å; F542-R895 PolarHBondContact O-N 2.87Å; F542-R895 VanDerWaalsContact O-O 3.09Å | ||
| 896 | I | 29.8 | Very low | 34 | Very low | 61 Ų | 61 | 83.5 Ų | 83.5 | 31% | 0.313 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 59 | 101.9 | 168.4 | -51.5 | -179.4 | 0 | 0 | 0 | 113.9 | F542 T543 A544 E649 | F542-I896 CarbonylContact O-C 3.52Å; F542-I896 WeakPolarHBondContact O-CA 3.47Å; F542-I896 PolarHBondContact O-N 2.88Å; F542-I896 VanDerWaalsContact O-O 3.11Å; T543-I896 VanDerWaalsContact C-CA 3.41Å; T543-I896 PolarHBondContact O-N 2.94Å; A544-I896 VanDerWaalsContact N-CA 3.34Å; A544-I896 WeakPolarHBondContact O-CG1 3.26Å; E649-I896 HydrophobicContact CB-CG2 4.49Å; E649-I896 HydrophobicContact CG-CG2 4.4Å; E649-I896 VanDerWaalsContact OE1-CG2 3.27Å; E649-I896 WeakPolarHBondContact OE1-CG2 3.32Å; E649-I896 WeakPolarHBondContact OE2-CG2 3.42Å |
| 897 | S | 26.3 | Very low | 34 | Very low | 40 Ų | 40 | 83.9 Ų | 83.9 | 28% | 0.28 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 147.2 | -79.8 | -179.8 | 58.4 | 0 | 0 | 0 | 0 | 115 | V541 F542 T543 E649 | V541-S897 WeakPolarHBondContact CG1-OG 3.44Å; F542-S897 VanDerWaalsContact C-OG 3.23Å; F542-S897 WeakPolarHBondContact CA-OG 3.34Å; F542-S897 PolarHBondContact N-OG 2.03Å; F542-S897 VanDerWaalsContact N-OG 3.11Å; F542-S897 PolarHBondContact O-N 2.95Å; F542-S897 VanDerWaalsContact O-N 3.13Å; F542-S897 PolarHBondContact O-OG 3.21Å; T543-S897 WeakPolarHBondContact CG2-O 3.33Å; E649-S897 WeakPolarHBondContact OE1-CA 3.19Å; E649-S897 PolarHBondContact OE1-N 2.93Å; E649-S897 WeakPolarHBondContact OE2-CA 3.39Å; E649-S897 PolarHBondContact OE2-N 3.5Å |
| 898 | K | 26.6 | Very low | 33.8 | Very low | 55 Ų | 55 | 85.2 Ų | 85.2 | 24% | 0.239 | 45% | 0.448 | C | S | . | . | trans | -118.4 | 124 | -169.9 | -43.9 | -175.6 | -168.7 | -177.3 | 0 | 117.5 | E540 V541 F542 T543 | E540-K898 IonicContact OE1-NZ 3.29Å; E540-K898 PolarHBondContact OE1-NZ 2.81Å; E540-K898 WeakPolarHBondContact OE2-CE 3.48Å; E540-K898 IonicContact OE2-NZ 3.98Å; E540-K898 PolarHBondContact OE2-NZ 3.16Å; V541-K898 WeakPolarHBondContact O-CB 3.17Å; V541-K898 WeakPolarHBondContact O-CD 3.48Å; V541-K898 WeakPolarHBondContact O-CG 3.5Å; F542-K898 CarbonylContact C-O 3.53Å; F542-K898 VanDerWaalsContact CA-N 3.35Å; F542-K898 WeakPolarHBondContact CA-O 3.42Å; F542-K898 WeakPolarHBondContact CB-O 3.33Å; T543-K898 PolarHBondContact N-O 2.92Å; T543-K898 PolarHBondContact OG1-O 3.25Å | ||
| 899 | R | 34.3 | Very low | 33.5 | Very low | 109 Ų | 109 | 86.1 Ų | 86.1 | 41% | 0.411 | 45% | 0.449 | S | S | . | . | trans | 30.1 | 128.1 | 135.4 | -60.8 | 133.4 | 170.3 | -168.8 | 0.6 | 120.8 | T543 F912 | T543-R899 PolarHBondContact OG1-N 3.31Å; T543-R899 VanDerWaalsContact OG1-N 3.07Å; R899-F912 HydrophobicContact CB-CB 4.28Å; R899-F912 HydrophobicContact CB-CD1 3.52Å; R899-F912 HydrophobicContact CB-CE1 4.18Å; R899-F912 HydrophobicContact CB-CG 4Å; R899-F912 HydrophobicContact CG-CB 3.98Å; R899-F912 HydrophobicContact CG-CD1 3.56Å; R899-F912 HydrophobicContact CG-CD2 4.18Å; R899-F912 HydrophobicContact CG-CE1 4.15Å; R899-F912 HydrophobicContact CG-CG 3.59Å; R899-F912 VanDerWaalsContact NH1-CZ 3.34Å | ||
| 900 | A | 30.5 | Very low | 33.3 | Very low | 36 Ų | 36 | 86.4 Ų | 86.4 | 30% | 0.298 | 45% | 0.45 | S | S | . | . | trans | -71.7 | 137.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A913 | A900-A913 HydrophobicContact CB-CB 4.21Å; A900-A913 PolarHBondContact O-N 3.02Å | ||
| 901 | T | 32.7 | Very low | 33.2 | Very low | 54 Ų | 54 | 86.6 Ų | 86.6 | 33% | 0.331 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.7 | -168.5 | 51.8 | 0 | 0 | 0 | 0 | 114 | L910 E911 F912 | T901-L910 HydrophobicContact CG2-CB 3.89Å; T901-E911 CarbonylContact C-O 3.54Å; T901-E911 VanDerWaalsContact CA-O 3.28Å; T901-E911 WeakPolarHBondContact CA-O 3.46Å; T901-F912 HydrophobicContact CG2-CD1 4.21Å; T901-F912 HydrophobicContact CG2-CE1 4.38Å |
| 902 | V | 35.8 | Very low | 33.2 | Very low | 79 Ų | 79 | 87.9 Ų | 87.9 | 48% | 0.479 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 147.2 | 169.7 | 173.2 | 0 | 0 | 0 | 0 | 108.6 | N904 E911 A913 | V902-N904 PolarHBondContact O-N 2.93Å; V902-E911 PolarHBondContact N-O 2.86Å; V902-E911 WeakPolarHBondContact O-CB 3.44Å; V902-E911 PolarHBondContact O-N 3.37Å; V902-A913 HydrophobicContact CG2-CB 4Å |
| 903 | H | 37.1 | Very low | 33.7 | Very low | 124 Ų | 124 | 86.6 Ų | 86.6 | 57% | 0.574 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 119.7 | 176.2 | -105.2 | -74.2 | 0 | 0 | 0 | 111.6 | K905 G908 | H903-K905 PolarHBondContact O-N 3.25Å; H903-G908 PolarHBondContact CE1-O 2.9Å; H903-G908 PolarHBondContact ND1-O 2.95Å; H903-G908 VanDerWaalsContact ND1-O 3.08Å |
| 904 | N | 38.8 | Very low | 34.9 | Very low | 26 Ų | 26 | 85.4 Ų | 85.4 | 14% | 0.139 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -61 | 125.3 | 165.6 | 177.3 | -58.9 | 0 | 0 | 0 | 109.1 | V902 E906 T907 G908 Q909 E911 | V902-N904 PolarHBondContact O-N 2.93Å; N904-E906 VanDerWaalsContact C-N 3.32Å; N904-E906 PolarHBondContact O-N 3.09Å; N904-E906 PolarHBondContact OD1-N 3.47Å; N904-T907 WeakPolarHBondContact CB-OG1 3.45Å; N904-T907 PolarHBondContact OD1-N 2.95Å; N904-T907 PolarHBondContact OD1-OG1 3.4Å; N904-T907 VanDerWaalsContact OD1-OG1 3.13Å; N904-G908 WeakPolarHBondContact O-CA 3.26Å; N904-G908 PolarHBondContact O-N 3.14Å; N904-G908 VanDerWaalsContact O-N 3.09Å; N904-Q909 PolarHBondContact N-O 2.8Å; N904-E911 HydrophobicContact CB-CB 4.1Å; N904-E911 WeakPolarHBondContact CB-OE2 2.96Å; N904-E911 VanDerWaalsContact ND2-CD 3.33Å; N904-E911 PolarHBondContact ND2-OE1 3.32Å; N904-E911 PolarHBondContact ND2-OE2 3.2Å |
| 905 | K | 37.8 | Very low | 36.2 | Very low | 159 Ų | 159 | 85.8 Ų | 85.8 | 69% | 0.691 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -22 | -173.5 | -72.9 | -177.1 | 177.7 | 176 | 0 | 114.6 | H903 L1009 | H903-K905 PolarHBondContact O-N 3.25Å; K905-L1009 PolarHBondContact NZ-O 2.91Å |
| 906 | E | 38.2 | Very low | 37.6 | Very low | 183 Ų | 183 | 80.8 Ų | 80.8 | 86% | 0.855 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -40 | -174.2 | -58.5 | -171.1 | 158.3 | 0 | 0 | 112.7 | N904 | N904-E906 VanDerWaalsContact C-N 3.32Å; N904-E906 PolarHBondContact O-N 3.09Å; N904-E906 PolarHBondContact OD1-N 3.47Å |
| 907 | T | 39.8 | Very low | 39.3 | Very low | 79 Ų | 79 | 80.1 Ų | 80.1 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -19.1 | -176.7 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | N904 Q909 | N904-T907 WeakPolarHBondContact CB-OG1 3.45Å; N904-T907 PolarHBondContact OD1-N 2.95Å; N904-T907 PolarHBondContact OD1-OG1 3.4Å; N904-T907 VanDerWaalsContact OD1-OG1 3.13Å; T907-Q909 PolarHBondContact O-N 3.48Å; T907-Q909 WeakPolarHBondContact OG1-CB 3.28Å; T907-Q909 PolarHBondContact OG1-N 3.23Å |
| 908 | G | 35.1 | Very low | 41.2 | Very low | 45 Ų | 45 | 78.6 Ų | 78.6 | 46% | 0.464 | 40% | 0.399 | S | S | . | . | trans | 68.6 | 10.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H903 N904 | H903-G908 PolarHBondContact CE1-O 2.9Å; H903-G908 PolarHBondContact ND1-O 2.95Å; H903-G908 VanDerWaalsContact ND1-O 3.08Å; N904-G908 WeakPolarHBondContact O-CA 3.26Å; N904-G908 PolarHBondContact O-N 3.14Å; N904-G908 VanDerWaalsContact O-N 3.09Å | ||
| 909 | Q | 33.9 | Very low | 43.1 | Very low | 132 Ų | 132 | 78.6 Ų | 78.6 | 62% | 0.617 | 40% | 0.398 | S | S | * | . | trans | -86.3 | 164.6 | 179 | -61.4 | -174.5 | 8.2 | 0 | 0 | 112.2 | N904 T907 | N904-Q909 PolarHBondContact N-O 2.8Å; T907-Q909 PolarHBondContact O-N 3.48Å; T907-Q909 WeakPolarHBondContact OG1-CB 3.28Å; T907-Q909 PolarHBondContact OG1-N 3.23Å | ||
| 910 | L | 35.4 | Very low | 45 | Very low | 100 Ų | 100 | 73.5 Ų | 73.5 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 117.6 | 177.5 | -69.5 | 175.8 | 0 | 0 | 0 | 110.2 | T901 | T901-L910 HydrophobicContact CG2-CB 3.89Å |
| 911 | E | 35.5 | Very low | 47.5 | Very low | 100 Ų | 100 | 71.9 Ų | 71.9 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151.7 | -166.8 | -168.8 | 163.9 | -108 | 0 | 0 | 111 | T901 V902 N904 A913 | T901-E911 CarbonylContact C-O 3.54Å; T901-E911 VanDerWaalsContact CA-O 3.28Å; T901-E911 WeakPolarHBondContact CA-O 3.46Å; V902-E911 PolarHBondContact N-O 2.86Å; V902-E911 WeakPolarHBondContact O-CB 3.44Å; V902-E911 PolarHBondContact O-N 3.37Å; N904-E911 HydrophobicContact CB-CB 4.1Å; N904-E911 WeakPolarHBondContact CB-OE2 2.96Å; N904-E911 VanDerWaalsContact ND2-CD 3.33Å; N904-E911 PolarHBondContact ND2-OE1 3.32Å; N904-E911 PolarHBondContact ND2-OE2 3.2Å; E911-A913 PolarHBondContact O-N 3.17Å |
| 912 | F | 37.5 | Very low | 50 | Low | 92 Ų | 92 | 71.9 Ų | 71.9 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 115.2 | -154.5 | -47.6 | -42.8 | 0 | 0 | 0 | 114.1 | R899 T901 N914 | R899-F912 HydrophobicContact CB-CB 4.28Å; R899-F912 HydrophobicContact CB-CD1 3.52Å; R899-F912 HydrophobicContact CB-CE1 4.18Å; R899-F912 HydrophobicContact CB-CG 4Å; R899-F912 HydrophobicContact CG-CB 3.98Å; R899-F912 HydrophobicContact CG-CD1 3.56Å; R899-F912 HydrophobicContact CG-CD2 4.18Å; R899-F912 HydrophobicContact CG-CE1 4.15Å; R899-F912 HydrophobicContact CG-CG 3.59Å; R899-F912 VanDerWaalsContact NH1-CZ 3.34Å; T901-F912 HydrophobicContact CG2-CD1 4.21Å; T901-F912 HydrophobicContact CG2-CE1 4.38Å; F912-N914 PolarHBondContact O-N 3.47Å; F912-N914 VanDerWaalsContact O-N 3.07Å |
| 913 | A | 41.1 | Very low | 52.6 | Low | 19 Ų | 19 | 68.1 Ų | 68.1 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | trans | -75.2 | 92.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A900 V902 E911 Y915 | A900-A913 HydrophobicContact CB-CB 4.21Å; A900-A913 PolarHBondContact O-N 3.02Å; V902-A913 HydrophobicContact CG2-CB 4Å; E911-A913 PolarHBondContact O-N 3.17Å; A913-Y915 HydrophobicContact CB-CD1 3.71Å; A913-Y915 HydrophobicContact CB-CE1 3.52Å | ||
| 914 | N | 51.5 | Low | 55.1 | Low | 98 Ų | 98 | 66.7 Ų | 66.7 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | trans | -86.3 | -8.8 | 171.2 | -72.7 | -32 | 0 | 0 | 0 | 113.7 | F912 R916 H962 | F912-N914 PolarHBondContact O-N 3.47Å; F912-N914 VanDerWaalsContact O-N 3.07Å; N914-R916 PolarHBondContact O-N 3.19Å; N914-H962 PolarHBondContact O-NE2 3.11Å | ||
| 915 | Y | 56.5 | Low | 57.4 | Low | 80 Ų | 80 | 68.5 Ų | 68.5 | 31% | 0.314 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -62.8 | -10.6 | -161 | 67.6 | -104.8 | 0 | 0 | 0 | 117.7 | V881 A913 Y963 D964 | V881-Y915 HydrophobicContact CG2-CE2 4.12Å; A913-Y915 HydrophobicContact CB-CD1 3.71Å; A913-Y915 HydrophobicContact CB-CE1 3.52Å; Y915-Y963 HydrophobicContact CD2-CD2 4.45Å; Y915-Y963 AromaticContact CD2-CE2 3.93Å; Y915-Y963 HydrophobicContact CD2-CE2 3.93Å; Y915-Y963 HydrophobicContact CE2-CE2 4.32Å; Y915-Y963 WeakPolarHBondContact O-CA 3.07Å; Y915-Y963 VanDerWaalsContact O-CD2 3.32Å; Y915-Y963 WeakPolarHBondContact O-CD2 3.36Å; Y915-D964 WeakPolarHBondContact CA-OD2 3.31Å; Y915-D964 WeakPolarHBondContact CB-OD2 3.34Å; Y915-D964 PolarHBondContact O-N 3.2Å |
| 916 | R | 56.7 | Low | 59.8 | Low | 26 Ų | 26 | 65.7 Ų | 65.7 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -140.7 | 117.5 | 174.5 | -172.7 | -179.6 | -176.1 | 161.3 | 5.1 | 110.2 | A879 N914 S918 Y963 | A879-R916 HydrophobicContact CB-CG 4.36Å; A879-R916 VanDerWaalsContact CB-NE 3.32Å; N914-R916 PolarHBondContact O-N 3.19Å; R916-S918 WeakPolarHBondContact CG-OG 3.3Å; R916-S918 PolarHBondContact NE-OG 2.76Å; R916-Y963 HydrophobicContact CB-CD1 4.44Å; R916-Y963 HydrophobicContact CB-CD2 4.18Å; R916-Y963 HydrophobicContact CB-CE2 4.28Å; R916-Y963 HydrophobicContact CB-CG 4.26Å; R916-Y963 VanDerWaalsContact CD-CE1 3.47Å; R916-Y963 HydrophobicContact CG-CD1 3.79Å; R916-Y963 HydrophobicContact CG-CD2 4.4Å; R916-Y963 HydrophobicContact CG-CE1 4.02Å; R916-Y963 HydrophobicContact CG-CG 4Å |
| 917 | I | 64.8 | Low | 62.2 | Low | 46 Ų | 46 | 59.7 Ų | 59.7 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | trans | -123.1 | 87.6 | 173.5 | -58 | -171.6 | 0 | 0 | 0 | 108.3 | Y957 G961 H962 | I917-Y957 WeakPolarHBondContact O-CD1 3.43Å; I917-G961 CarbonylContact O-C 3.58Å; I917-G961 WeakPolarHBondContact O-CA 3.38Å; I917-H962 PolarHBondContact N-O 2.73Å; I917-H962 PolarHBondContact O-N 3.21Å | ||
| 918 | S | 65.4 | Low | 64.8 | Low | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | trans | -148.6 | 161.8 | 171.3 | 30.6 | 0 | 0 | 0 | 0 | 110.1 | A879 R916 N956 Y957 | A879-S918 WeakPolarHBondContact CB-O 3.29Å; A879-S918 PolarHBondContact N-O 2.81Å; R916-S918 WeakPolarHBondContact CG-OG 3.3Å; R916-S918 PolarHBondContact NE-OG 2.76Å; S918-N956 CarbonylContact C-O 3.45Å; S918-N956 VanDerWaalsContact CA-O 3.29Å; S918-N956 WeakPolarHBondContact CA-O 3.22Å; S918-N956 VanDerWaalsContact CB-O 3.27Å; S918-N956 WeakPolarHBondContact CB-O 3.3Å; S918-Y957 VanDerWaalsContact OG-CE1 3.3Å; S918-Y957 WeakPolarHBondContact OG-CE1 3.21Å | ||
| 919 | K | 66.2 | Low | 67.6 | Low | 54 Ų | 54 | 62 Ų | 62 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 149.2 | 158.1 | -73.3 | -163.2 | 152 | -147.2 | 0 | 110.2 | M545 A546 L876 A877 A955 N956 | M545-K919 WeakPolarHBondContact O-CE 3.49Å; M545-K919 PolarHBondContact O-NZ 3.13Å; A546-K919 HydrophobicContact CB-CD 4.4Å; L876-K919 HydrophobicContact CB-CB 4.23Å; L876-K919 HydrophobicContact CB-CD 4.18Å; L876-K919 HydrophobicContact CD2-CB 4.12Å; L876-K919 PolarHBondContact O-NZ 3.29Å; A877-K919 CarbonylContact O-C 3.57Å; A877-K919 WeakPolarHBondContact O-CA 3.36Å; A877-K919 VanDerWaalsContact O-CB 3.26Å; A877-K919 WeakPolarHBondContact O-CB 3.46Å; A877-K919 WeakPolarHBondContact O-CG 3.5Å; K919-A955 CarbonylContact O-C 3.6Å; K919-A955 VanDerWaalsContact O-CA 3.27Å; K919-A955 WeakPolarHBondContact O-CA 3.3Å; K919-N956 PolarHBondContact N-O 3.09Å; K919-N956 PolarHBondContact O-N 2.96Å |
| 920 | S | 74.1 | Confident | 70.5 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.5 | 178 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | A877 A879 I954 | A877-S920 PolarHBondContact N-O 3.03Å; A877-S920 PolarHBondContact O-N 3.45Å; A879-S920 WeakPolarHBondContact CA-OG 3.4Å; S920-I954 CarbonylContact C-O 3.48Å; S920-I954 VanDerWaalsContact CA-O 3.31Å; S920-I954 WeakPolarHBondContact CA-O 3.45Å |
| 921 | A | 82.8 | Confident | 73.3 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149 | 163 | 0 | 0 | 0 | 0 | 0 | 109 | A872 K875 L876 Q953 I954 | A872-A921 HydrophobicContact CB-CB 3.81Å; K875-A921 HydrophobicContact CB-CB 3.56Å; L876-A921 HydrophobicContact CD2-CB 4.08Å; A921-Q953 CarbonylContact O-C 3.43Å; A921-Q953 WeakPolarHBondContact O-CA 3.29Å; A921-I954 PolarHBondContact N-O 2.96Å; A921-I954 PolarHBondContact O-N 2.66Å |
| 922 | W | 86.3 | Confident | 76.1 | Confident | 54 Ų | 54 | 48.8 Ų | 48.8 | 21% | 0.205 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.8 | 172.1 | -62.9 | 91.9 | 0 | 0 | 0 | 108.9 | L889 E951 Q953 W1092 | L889-W922 HydrophobicContact CD2-CZ2 4.35Å; W922-E951 HydrophobicContact CE3-CB 4.07Å; W922-Q953 HydrophobicContact CD2-CB 4.22Å; W922-Q953 HydrophobicContact CD2-CG 4.41Å; W922-Q953 HydrophobicContact CE3-CB 3.76Å; W922-Q953 HydrophobicContact CE3-CG 4.41Å; W922-Q953 HydrophobicContact CH2-CB 4.29Å; W922-Q953 HydrophobicContact CZ3-CB 3.8Å; W922-W1092 HydrophobicContact CH2-CE3 4.35Å; W922-W1092 AromaticContact CH2-CZ3 3.76Å; W922-W1092 HydrophobicContact CH2-CZ3 3.76Å; W922-W1092 HydrophobicContact CZ3-CE3 4.35Å; W922-W1092 AromaticContact CZ3-CZ3 3.96Å; W922-W1092 HydrophobicContact CZ3-CZ3 3.96Å |
| 923 | L | 89.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.2 | 178.7 | -61.7 | -175.2 | 0 | 0 | 0 | 110.9 | L868 L871 K875 D927 V931 L952 I954 | L868-L923 HydrophobicContact CD2-CD1 3.84Å; L871-L923 HydrophobicContact CB-CD1 3.9Å; L871-L923 HydrophobicContact CB-CD2 3.88Å; L871-L923 HydrophobicContact CD1-CD1 4.49Å; K875-L923 HydrophobicContact CD-CD2 3.86Å; L923-D927 VanDerWaalsContact CA-OD2 3.26Å; L923-D927 WeakPolarHBondContact CA-OD2 3.31Å; L923-V931 HydrophobicContact CB-CG1 4.27Å; L923-V931 HydrophobicContact CB-CG2 4.34Å; L923-V931 HydrophobicContact CD1-CG2 4.34Å; L923-L952 HydrophobicContact CB-CB 4.48Å; L923-L952 PolarHBondContact N-O 3.08Å; L923-L952 PolarHBondContact O-N 2.91Å; L923-I954 HydrophobicContact CD1-CD1 4.18Å; L923-I954 HydrophobicContact CD1-CG1 3.55Å; L923-I954 HydrophobicContact CG-CG1 3.92Å |
| 924 | K | 90.3 | Very high | 81.3 | Confident | 95 Ų | 95 | 47.6 Ų | 47.6 | 41% | 0.413 | 26% | 0.257 | S | S | . | . | trans | -88.3 | 148 | 176.6 | -61.7 | 177.8 | -166.3 | -59.9 | 0 | 109.5 | A926 D927 V931 E951 | K924-A926 PolarHBondContact O-N 3.48Å; K924-D927 PolarHBondContact N-OD2 2.93Å; K924-D927 WeakPolarHBondContact O-CB 3.33Å; K924-D927 PolarHBondContact O-N 3.06Å; K924-V931 WeakPolarHBondContact O-CG1 3.18Å; K924-E951 HydrophobicContact CG-CG 4.19Å; K924-E951 VanDerWaalsContact CG-OE2 3.28Å; K924-E951 WeakPolarHBondContact CG-OE2 3.3Å; K924-E951 IonicContact NZ-OE1 2.78Å; K924-E951 PolarHBondContact NZ-OE1 3.37Å; K924-E951 IonicContact NZ-OE2 2.73Å; K924-E951 PolarHBondContact NZ-OE2 3.09Å | ||
| 925 | D | 86.1 | Confident | 83.4 | Confident | 63 Ų | 63 | 43.1 Ų | 43.1 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -30.6 | 171.4 | -66.8 | 50.6 | 0 | 0 | 0 | 112.4 | A932 V935 K1091 | D925-A932 HydrophobicContact CB-CB 4.32Å; D925-V935 VanDerWaalsContact OD2-CB 3.29Å; D925-V935 WeakPolarHBondContact OD2-CB 3.36Å; D925-V935 VanDerWaalsContact OD2-CG1 3.24Å; D925-V935 WeakPolarHBondContact OD2-CG1 3.39Å; D925-K1091 IonicContact OD1-NZ 3.78Å |
| 926 | A | 89.4 | Confident | 85.1 | Confident | 100 Ų | 100 | 44.4 Ų | 44.4 | 83% | 0.826 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K924 H928 | K924-A926 PolarHBondContact O-N 3.48Å; A926-H928 VanDerWaalsContact C-N 3.34Å |
| 927 | D | 87.8 | Confident | 86.9 | Confident | 58 Ų | 58 | 44.5 Ų | 44.5 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -36.4 | 179.1 | -78.9 | -36.6 | 0 | 0 | 0 | 111.6 | K875 L923 K924 | K875-D927 IonicContact NZ-OD1 3.82Å; K875-D927 PolarHBondContact NZ-OD1 3.05Å; K875-D927 VanDerWaalsContact NZ-OD1 3.14Å; K875-D927 IonicContact NZ-OD2 3.09Å; K875-D927 PolarHBondContact NZ-OD2 3.1Å; L923-D927 VanDerWaalsContact CA-OD2 3.26Å; L923-D927 WeakPolarHBondContact CA-OD2 3.31Å; K924-D927 PolarHBondContact N-OD2 2.93Å; K924-D927 WeakPolarHBondContact O-CB 3.33Å; K924-D927 PolarHBondContact O-N 3.06Å |
| 928 | H | 94.1 | Very high | 88.3 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 33% | 0.329 | 23% | 0.226 | S | C | . | . | trans | -164.6 | 144.2 | 179.3 | -171.3 | -104.7 | 0 | 0 | 0 | 111.7 | V867 L871 A926 V930 V931 | V867-H928 WeakPolarHBondContact CG1-ND1 3.4Å; L871-H928 HydrophobicContact CD1-CB 3.49Å; L871-H928 VanDerWaalsContact CD1-CB 3.49Å; L871-H928 HydrophobicContact CD2-CB 4.39Å; A926-H928 VanDerWaalsContact C-N 3.34Å; H928-V930 WeakPolarHBondContact ND1-CB 3.37Å; H928-V930 PolarHBondContact ND1-N 3.33Å; H928-V930 PolarHBondContact O-N 2.95Å; H928-V931 HydrophobicContact CB-CG2 4.29Å; H928-V931 WeakPolarHBondContact O-CB 3.15Å; H928-V931 PolarHBondContact O-N 2.7Å | ||
| 929 | P | 94.7 | Very high | 89.6 | Confident | 100 Ų | 100 | 42.1 Ų | 42.1 | 65% | 0.649 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -54.7 | -30 | -177.6 | -29.8 | 36.8 | 0 | 0 | 0 | 115.8 | V931 A932 E933 | P929-V931 VanDerWaalsContact C-N 3.33Å; P929-V931 PolarHBondContact O-N 3.45Å; P929-A932 PolarHBondContact O-N 3.39Å; P929-E933 PolarHBondContact O-N 2.93Å |
| 930 | V | 94.6 | Very high | 90.9 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -36.3 | 173.9 | 167.5 | 0 | 0 | 0 | 0 | 112.2 | E864 V867 H928 E933 V934 | E864-V930 HydrophobicContact CB-CG1 3.77Å; E864-V930 HydrophobicContact CG-CG1 3.79Å; V867-V930 HydrophobicContact CB-CG1 4.49Å; V867-V930 HydrophobicContact CG1-CB 3.94Å; V867-V930 HydrophobicContact CG1-CG1 4.11Å; V867-V930 HydrophobicContact CG1-CG2 4.13Å; H928-V930 WeakPolarHBondContact ND1-CB 3.37Å; H928-V930 PolarHBondContact ND1-N 3.33Å; H928-V930 PolarHBondContact O-N 2.95Å; V930-E933 PolarHBondContact O-N 3Å; V930-V934 HydrophobicContact CG1-CG2 4.29Å; V930-V934 WeakPolarHBondContact O-CB 3.32Å; V930-V934 WeakPolarHBondContact O-CG2 3.47Å; V930-V934 PolarHBondContact O-N 3.36Å |
| 931 | V | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -47.2 | 178.9 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | L868 L871 L923 K924 H928 P929 E933 V934 V935 L952 | L868-V931 HydrophobicContact CD2-CG2 3.87Å; L871-V931 HydrophobicContact CD1-CG2 4.16Å; L923-V931 HydrophobicContact CB-CG1 4.27Å; L923-V931 HydrophobicContact CB-CG2 4.34Å; L923-V931 HydrophobicContact CD1-CG2 4.34Å; K924-V931 WeakPolarHBondContact O-CG1 3.18Å; H928-V931 HydrophobicContact CB-CG2 4.29Å; H928-V931 WeakPolarHBondContact O-CB 3.15Å; H928-V931 PolarHBondContact O-N 2.7Å; P929-V931 VanDerWaalsContact C-N 3.33Å; P929-V931 PolarHBondContact O-N 3.45Å; V931-E933 VanDerWaalsContact C-N 3.35Å; V931-E933 PolarHBondContact O-N 2.8Å; V931-V934 PolarHBondContact O-N 2.92Å; V931-V935 WeakPolarHBondContact O-CG2 3.03Å; V931-V935 PolarHBondContact O-N 2.87Å; V931-L952 HydrophobicContact CG1-CB 4.34Å; V931-L952 HydrophobicContact CG1-CD2 4.15Å |
| 932 | A | 94 | Very high | 92.2 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D925 P929 V935 R936 | D925-A932 HydrophobicContact CB-CB 4.32Å; P929-A932 PolarHBondContact O-N 3.39Å; A932-V935 PolarHBondContact O-N 2.77Å; A932-R936 VanDerWaalsContact O-CB 3.3Å; A932-R936 WeakPolarHBondContact O-CB 3.49Å; A932-R936 PolarHBondContact O-N 2.6Å |
| 933 | E | 94 | Very high | 92.4 | Very high | 86 Ų | 86 | 40.8 Ų | 40.8 | 40% | 0.402 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 177.4 | -154.5 | -155.4 | 132.5 | 0 | 0 | 112.3 | P929 V930 V931 R936 R937 | P929-E933 PolarHBondContact O-N 2.93Å; V930-E933 PolarHBondContact O-N 3Å; V931-E933 VanDerWaalsContact C-N 3.35Å; V931-E933 PolarHBondContact O-N 2.8Å; E933-R936 PolarHBondContact O-N 2.82Å; E933-R937 WeakPolarHBondContact O-CB 3.44Å; E933-R937 PolarHBondContact O-N 2.79Å; E933-R937 IonicContact OE1-CZ 2.82Å; E933-R937 IonicContact OE1-NH2 2.84Å; E933-R937 PolarHBondContact OE1-NH2 2.87Å |
| 934 | V | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 174.3 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | I860 E864 V930 V931 R936 R937 I938 L952 F1031 | I860-V934 HydrophobicContact CD1-CG2 3.92Å; I860-V934 HydrophobicContact CG1-CG2 4.41Å; E864-V934 WeakPolarHBondContact OE1-CG2 3.27Å; V930-V934 HydrophobicContact CG1-CG2 4.29Å; V930-V934 WeakPolarHBondContact O-CB 3.32Å; V930-V934 WeakPolarHBondContact O-CG2 3.47Å; V930-V934 PolarHBondContact O-N 3.36Å; V931-V934 PolarHBondContact O-N 2.92Å; V934-R936 PolarHBondContact O-N 2.84Å; V934-R937 CarbonylContact O-C 3.5Å; V934-R937 WeakPolarHBondContact O-CA 3.31Å; V934-R937 VanDerWaalsContact O-CB 3.3Å; V934-R937 WeakPolarHBondContact O-CB 3.38Å; V934-R937 PolarHBondContact O-N 2.94Å; V934-I938 HydrophobicContact CG1-CD1 4.49Å; V934-I938 WeakPolarHBondContact O-CG1 3.42Å; V934-I938 PolarHBondContact O-N 2.94Å; V934-L952 HydrophobicContact CG1-CD2 4.41Å; V934-F1031 HydrophobicContact CG1-CE2 3.83Å; V934-F1031 HydrophobicContact CG1-CZ 3.89Å |
| 935 | V | 94.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 178.2 | 173 | 0 | 0 | 0 | 0 | 111.9 | D925 V931 A932 R937 I938 G939 M946 K1091 | D925-V935 VanDerWaalsContact OD2-CB 3.29Å; D925-V935 WeakPolarHBondContact OD2-CB 3.36Å; D925-V935 VanDerWaalsContact OD2-CG1 3.24Å; D925-V935 WeakPolarHBondContact OD2-CG1 3.39Å; V931-V935 WeakPolarHBondContact O-CG2 3.03Å; V931-V935 PolarHBondContact O-N 2.87Å; A932-V935 PolarHBondContact O-N 2.77Å; V935-R937 VanDerWaalsContact C-N 3.26Å; V935-R937 PolarHBondContact O-N 2.89Å; V935-I938 HydrophobicContact CG2-CD1 4.5Å; V935-I938 WeakPolarHBondContact O-CB 3.32Å; V935-I938 PolarHBondContact O-N 3.21Å; V935-I938 VanDerWaalsContact O-N 3.17Å; V935-G939 PolarHBondContact O-N 2.88Å; V935-M946 HydrophobicContact CG1-CB 4.02Å; V935-M946 HydrophobicContact CG1-CG 4.08Å; V935-M946 HydrophobicContact CG1-SD 4.31Å; V935-K1091 HydrophobicContact CG2-CD 4.16Å |
| 936 | R | 93.2 | Very high | 92.9 | Very high | 107 Ų | 107 | 36 Ų | 36 | 40% | 0.404 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.9 | -39.4 | 172.1 | -166.7 | -162.9 | 66.2 | 67.8 | 2 | 111.6 | A932 E933 V934 G939 D940 | A932-R936 VanDerWaalsContact O-CB 3.3Å; A932-R936 WeakPolarHBondContact O-CB 3.49Å; A932-R936 PolarHBondContact O-N 2.6Å; E933-R936 PolarHBondContact O-N 2.82Å; V934-R936 PolarHBondContact O-N 2.84Å; R936-G939 PolarHBondContact O-N 3.39Å; R936-D940 IonicContact CZ-OD2 3.51Å; R936-D940 IonicContact NH1-OD2 3.13Å; R936-D940 PolarHBondContact NH1-OD2 2.86Å; R936-D940 PolarHBondContact O-N 3.12Å |
| 937 | R | 93.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.3 | -36.4 | 177 | -158.2 | -178.2 | -59.6 | 136.3 | 9.9 | 112.4 | V859 E864 E933 V934 V935 G939 D940 M941 | V859-R937 VanDerWaalsContact O-CD 3.22Å; V859-R937 WeakPolarHBondContact O-CD 3.22Å; V859-R937 PolarHBondContact O-NH1 3.34Å; E864-R937 IonicContact OE1-CZ 3.11Å; E864-R937 IonicContact OE1-NH1 3.67Å; E864-R937 PolarHBondContact OE1-NH1 2.74Å; E864-R937 IonicContact OE1-NH2 2.97Å; E864-R937 PolarHBondContact OE1-NH2 2.83Å; E864-R937 IonicContact OE2-NH1 3.38Å; E864-R937 PolarHBondContact OE2-NH1 3.04Å; E864-R937 IonicContact OE2-NH2 3.65Å; E933-R937 WeakPolarHBondContact O-CB 3.44Å; E933-R937 PolarHBondContact O-N 2.79Å; E933-R937 IonicContact OE1-CZ 2.82Å; E933-R937 IonicContact OE1-NH2 2.84Å; E933-R937 PolarHBondContact OE1-NH2 2.87Å; V934-R937 CarbonylContact O-C 3.5Å; V934-R937 WeakPolarHBondContact O-CA 3.31Å; V934-R937 VanDerWaalsContact O-CB 3.3Å; V934-R937 WeakPolarHBondContact O-CB 3.38Å; V934-R937 PolarHBondContact O-N 2.94Å; V935-R937 VanDerWaalsContact C-N 3.26Å; V935-R937 PolarHBondContact O-N 2.89Å; R937-G939 VanDerWaalsContact C-N 3.34Å; R937-G939 PolarHBondContact O-N 3.36Å; R937-D940 PolarHBondContact O-N 3.42Å; R937-D940 VanDerWaalsContact O-N 3.11Å; R937-M941 HydrophobicContact CG-SD 3.95Å; R937-M941 VanDerWaalsContact O-CG 3.28Å; R937-M941 WeakPolarHBondContact O-CG 3.39Å; R937-M941 PolarHBondContact O-N 3.22Å |
| 938 | I | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 172 | -60.1 | 168.5 | 0 | 0 | 0 | 110.3 | V934 V935 D940 M941 T942 M946 L952 L1029 F1031 K1091 I1093 | V934-I938 HydrophobicContact CG1-CD1 4.49Å; V934-I938 WeakPolarHBondContact O-CG1 3.42Å; V934-I938 PolarHBondContact O-N 2.94Å; V935-I938 HydrophobicContact CG2-CD1 4.5Å; V935-I938 WeakPolarHBondContact O-CB 3.32Å; V935-I938 PolarHBondContact O-N 3.21Å; V935-I938 VanDerWaalsContact O-N 3.17Å; I938-D940 PolarHBondContact O-N 2.96Å; I938-M941 PolarHBondContact O-N 3.14Å; I938-T942 HydrophobicContact CG2-CG2 4.04Å; I938-T942 WeakPolarHBondContact O-CB 3.16Å; I938-T942 WeakPolarHBondContact O-CG2 3.5Å; I938-T942 PolarHBondContact O-N 2.78Å; I938-T942 PolarHBondContact O-OG1 2.9Å; I938-M946 HydrophobicContact CB-SD 3.85Å; I938-M946 HydrophobicContact CG2-CE 4.1Å; I938-M946 HydrophobicContact CG2-SD 3.61Å; I938-L952 HydrophobicContact CD1-CD1 4.43Å; I938-L1029 HydrophobicContact CG1-CD2 4.23Å; I938-L1029 HydrophobicContact CG2-CB 4.38Å; I938-L1029 HydrophobicContact CG2-CD1 4.24Å; I938-F1031 HydrophobicContact CD1-CE2 3.74Å; I938-F1031 HydrophobicContact CD1-CZ 4.34Å; I938-F1031 HydrophobicContact CG1-CE2 3.67Å; I938-F1031 HydrophobicContact CG1-CZ 3.78Å; I938-K1091 HydrophobicContact CD1-CB 3.61Å; I938-K1091 HydrophobicContact CD1-CD 4.13Å; I938-K1091 HydrophobicContact CD1-CG 3.66Å; I938-I1093 HydrophobicContact CG2-CD1 4.27Å |
| 939 | G | 93.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K834 V935 R936 R937 N943 | K834-G939 WeakPolarHBondContact CE-O 3.47Å; K834-G939 VanDerWaalsContact NZ-C 3.32Å; K834-G939 PolarHBondContact NZ-O 2.86Å; V935-G939 PolarHBondContact O-N 2.88Å; R936-G939 PolarHBondContact O-N 3.39Å; R937-G939 VanDerWaalsContact C-N 3.34Å; R937-G939 PolarHBondContact O-N 3.36Å; G939-N943 WeakPolarHBondContact O-CA 3.28Å; G939-N943 PolarHBondContact O-N 3.39Å |
| 940 | D | 91.8 | Very high | 92.2 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -75.8 | -39.4 | 173.7 | -73.3 | -16.7 | 0 | 0 | 0 | 113.4 | K831 K834 L837 R936 R937 I938 | K831-D940 WeakPolarHBondContact CE-O 3.42Å; K834-D940 HydrophobicContact CD-CB 4.25Å; K834-D940 WeakPolarHBondContact CD-OD1 3.43Å; K834-D940 WeakPolarHBondContact CE-OD1 3.22Å; K834-D940 IonicContact NZ-OD1 3.75Å; K834-D940 PolarHBondContact NZ-OD1 2.86Å; L837-D940 WeakPolarHBondContact CD1-O 3.36Å; L837-D940 HydrophobicContact CD2-CB 4.46Å; R936-D940 IonicContact CZ-OD2 3.51Å; R936-D940 IonicContact NH1-OD2 3.13Å; R936-D940 PolarHBondContact NH1-OD2 2.86Å; R936-D940 PolarHBondContact O-N 3.12Å; R937-D940 PolarHBondContact O-N 3.42Å; R937-D940 VanDerWaalsContact O-N 3.11Å; I938-D940 PolarHBondContact O-N 2.96Å |
| 941 | M | 92.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.8 | -42.9 | 177.3 | -72.6 | 155.6 | 57.9 | 0 | 0 | 112.5 | K831 I842 F856 V859 R937 I938 L1029 F1031 A1058 | K831-M941 WeakPolarHBondContact CE-O 3.36Å; K831-M941 PolarHBondContact NZ-O 3.08Å; I842-M941 HydrophobicContact CD1-CG 3.44Å; I842-M941 VanDerWaalsContact CD1-CG 3.44Å; I842-M941 HydrophobicContact CD1-SD 4.39Å; F856-M941 HydrophobicContact CB-CE 4.07Å; F856-M941 HydrophobicContact CD2-CB 4.42Å; F856-M941 HydrophobicContact CD2-CE 3.62Å; F856-M941 HydrophobicContact CE1-CB 4.46Å; F856-M941 HydrophobicContact CE2-CB 4.07Å; F856-M941 HydrophobicContact CE2-CE 4.25Å; F856-M941 HydrophobicContact CG-CE 3.97Å; F856-M941 HydrophobicContact CZ-CB 4.09Å; F856-M941 WeakPolarHBondContact CZ-O 3.34Å; V859-M941 HydrophobicContact CB-CE 3.97Å; V859-M941 HydrophobicContact CB-SD 4Å; V859-M941 HydrophobicContact CG1-CE 4.02Å; V859-M941 HydrophobicContact CG1-SD 4.01Å; V859-M941 HydrophobicContact CG2-CE 3.84Å; V859-M941 HydrophobicContact CG2-SD 4.5Å; R937-M941 HydrophobicContact CG-SD 3.95Å; R937-M941 VanDerWaalsContact O-CG 3.28Å; R937-M941 WeakPolarHBondContact O-CG 3.39Å; R937-M941 PolarHBondContact O-N 3.22Å; I938-M941 PolarHBondContact O-N 3.14Å; M941-L1029 HydrophobicContact CE-CD1 3.71Å; M941-L1029 HydrophobicContact CE-CD2 4.36Å; M941-F1031 HydrophobicContact CE-CE1 4.17Å; M941-F1031 HydrophobicContact CE-CZ 4.24Å; M941-F1031 HydrophobicContact SD-CZ 4.47Å; M941-A1058 HydrophobicContact CE-CB 4.04Å |
| 942 | T | 92.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -90.2 | -20.3 | -172 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | I938 L944 L1029 F1060 I1093 | I938-T942 HydrophobicContact CG2-CG2 4.04Å; I938-T942 WeakPolarHBondContact O-CB 3.16Å; I938-T942 WeakPolarHBondContact O-CG2 3.5Å; I938-T942 PolarHBondContact O-N 2.78Å; I938-T942 PolarHBondContact O-OG1 2.9Å; T942-L944 PolarHBondContact O-N 2.84Å; T942-L944 PolarHBondContact OG1-N 2.81Å; T942-L1029 HydrophobicContact CG2-CD1 3.76Å; T942-F1060 HydrophobicContact CG2-CD2 3.6Å; T942-F1060 HydrophobicContact CG2-CE2 3.38Å; T942-F1060 HydrophobicContact CG2-CG 4.3Å; T942-F1060 HydrophobicContact CG2-CZ 3.94Å; T942-I1093 HydrophobicContact CG2-CD1 4.14Å |
| 943 | N | 91 | Very high | 91.7 | Very high | 53 Ų | 53 | 32.8 Ų | 32.8 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | trans | 60 | 13.3 | -163.2 | -60 | -18 | 0 | 0 | 0 | 114.9 | K831 D833 G939 Y1101 | K831-N943 PolarHBondContact NZ-ND2 3.17Å; K831-N943 VanDerWaalsContact NZ-ND2 3.17Å; K831-N943 PolarHBondContact NZ-OD1 3.23Å; D833-N943 PolarHBondContact OD2-ND2 2.87Å; G939-N943 WeakPolarHBondContact O-CA 3.28Å; G939-N943 PolarHBondContact O-N 3.39Å; N943-Y1101 VanDerWaalsContact O-CD1 3.27Å; N943-Y1101 WeakPolarHBondContact O-CD1 3.48Å | ||
| 944 | L | 92.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | trans | -93.9 | 158.2 | 177.8 | -61.4 | 176 | 0 | 0 | 0 | 111.3 | T942 M946 I1026 A1027 F1060 I1093 R1102 | T942-L944 PolarHBondContact O-N 2.84Å; T942-L944 PolarHBondContact OG1-N 2.81Å; L944-M946 HydrophobicContact CB-CE 4.12Å; L944-I1026 HydrophobicContact CD1-CG2 4.3Å; L944-A1027 HydrophobicContact CD1-CB 3.74Å; L944-F1060 HydrophobicContact CD1-CE2 4.36Å; L944-F1060 HydrophobicContact CD1-CZ 4.29Å; L944-I1093 HydrophobicContact CB-CD1 4.41Å; L944-I1093 HydrophobicContact CB-CG2 4.09Å; L944-I1093 HydrophobicContact CD1-CB 4.47Å; L944-I1093 HydrophobicContact CD1-CD1 3.87Å; L944-I1093 HydrophobicContact CD1-CG2 4.03Å; L944-R1102 HydrophobicContact CD2-CB 3.9Å | ||
| 945 | N | 92.3 | Very high | 91 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 11% | 0.112 | 14% | 0.139 | C | C | . | . | trans | -73.5 | 140.8 | 170.7 | -169.4 | -1.8 | 0 | 0 | 0 | 110.5 | E947 G1097 Q1098 Y1101 | N945-E947 PolarHBondContact ND2-OE2 2.61Å; N945-E947 WeakPolarHBondContact OD1-CG 3.16Å; N945-E947 PolarHBondContact OD1-N 3.23Å; N945-E947 PolarHBondContact OD1-OE2 3.48Å; N945-G1097 VanDerWaalsContact CB-O 3.24Å; N945-G1097 WeakPolarHBondContact CB-O 3.17Å; N945-G1097 PolarHBondContact ND2-O 3.3Å; N945-Q1098 PolarHBondContact O-NE2 3.4Å; N945-Y1101 HydrophobicContact CB-CD2 3.92Å; N945-Y1101 HydrophobicContact CB-CE2 3.77Å | ||
| 946 | M | 91.7 | Very high | 90.4 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 14% | 0.143 | 14% | 0.144 | C | C | . | . | trans | -101.7 | -11.1 | 179.3 | -60.9 | -67.9 | 95.7 | 0 | 0 | 113.7 | V935 I938 L944 T948 A949 I1093 | V935-M946 HydrophobicContact CG1-CB 4.02Å; V935-M946 HydrophobicContact CG1-CG 4.08Å; V935-M946 HydrophobicContact CG1-SD 4.31Å; I938-M946 HydrophobicContact CB-SD 3.85Å; I938-M946 HydrophobicContact CG2-CE 4.1Å; I938-M946 HydrophobicContact CG2-SD 3.61Å; L944-M946 HydrophobicContact CB-CE 4.12Å; M946-T948 PolarHBondContact O-N 3.5Å; M946-T948 VanDerWaalsContact O-N 3.08Å; M946-A949 WeakPolarHBondContact O-CB 3.32Å; M946-A949 PolarHBondContact O-N 3.45Å; M946-I1093 HydrophobicContact CE-CD1 3.6Å; M946-I1093 HydrophobicContact CE-CG1 3.78Å; M946-I1093 HydrophobicContact CE-CG2 4.15Å | ||
| 947 | E | 88.7 | Confident | 89.3 | Confident | 168 Ų | 168 | 25 Ų | 25 | 79% | 0.785 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.3 | -175 | -71.4 | 174 | 137.8 | 0 | 0 | 114.3 | N945 | N945-E947 PolarHBondContact ND2-OE2 2.61Å; N945-E947 WeakPolarHBondContact OD1-CG 3.16Å; N945-E947 PolarHBondContact OD1-N 3.23Å; N945-E947 PolarHBondContact OD1-OE2 3.48Å |
| 948 | T | 86.6 | Confident | 88 | Confident | 25 Ų | 25 | 25 Ų | 25 | 15% | 0.153 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 5.8 | -178.5 | 55 | 0 | 0 | 0 | 0 | 113.3 | M946 H1094 R1096 | M946-T948 PolarHBondContact O-N 3.5Å; M946-T948 VanDerWaalsContact O-N 3.08Å; T948-H1094 PolarHBondContact O-CD2 3.33Å; T948-R1096 WeakPolarHBondContact CB-O 3.4Å; T948-R1096 HydrophobicContact CG2-CB 4.21Å; T948-R1096 HydrophobicContact CG2-CG 4.1Å; T948-R1096 VanDerWaalsContact CG2-O 3.29Å; T948-R1096 WeakPolarHBondContact CG2-O 3.18Å; T948-R1096 PolarHBondContact OG1-O 3.36Å |
| 949 | A | 87.4 | Confident | 86.6 | Confident | 19 Ų | 19 | 27 Ų | 27 | 16% | 0.157 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 149 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M946 W1092 I1093 | M946-A949 WeakPolarHBondContact O-CB 3.32Å; M946-A949 PolarHBondContact O-N 3.45Å; A949-W1092 CarbonylContact C-O 2.81Å; A949-W1092 WeakPolarHBondContact CA-O 3.22Å; A949-W1092 WeakPolarHBondContact CB-O 3.42Å; A949-I1093 HydrophobicContact CB-CG1 4.3Å |
| 950 | E | 87.9 | Confident | 85.6 | Confident | 29 Ų | 29 | 26.8 Ų | 26.8 | 14% | 0.136 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 165.5 | -177.2 | -67 | -175.8 | -156.9 | 0 | 0 | 113.1 | R1025 K1091 W1092 H1094 | E950-R1025 IonicContact OE1-CZ 3.38Å; E950-R1025 IonicContact OE1-NE 2.74Å; E950-R1025 PolarHBondContact OE1-NE 2.92Å; E950-R1025 IonicContact OE1-NH2 2.86Å; E950-R1025 PolarHBondContact OE1-NH2 2.71Å; E950-R1025 IonicContact OE2-CZ 3.33Å; E950-R1025 IonicContact OE2-NH2 3.25Å; E950-R1025 PolarHBondContact OE2-NH2 3.22Å; E950-K1091 VanDerWaalsContact O-CD 3.25Å; E950-K1091 WeakPolarHBondContact O-CD 3.27Å; E950-K1091 WeakPolarHBondContact O-CE 3.08Å; E950-K1091 PolarHBondContact O-NZ 3.25Å; E950-W1092 HydrophobicContact CB-CB 4.37Å; E950-W1092 HydrophobicContact CG-CB 4.19Å; E950-W1092 PolarHBondContact N-O 3.39Å; E950-W1092 VanDerWaalsContact OE2-CE3 3.24Å; E950-H1094 WeakPolarHBondContact CG-NE2 3.39Å; E950-H1094 IonicContact OE1-CE1 3.34Å; E950-H1094 IonicContact OE1-NE2 3.26Å; E950-H1094 PolarHBondContact OE1-NE2 2.65Å |
| 951 | E | 89.6 | Confident | 84.6 | Confident | 75 Ų | 75 | 26.1 Ų | 26.1 | 35% | 0.35 | 14% | 0.141 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 150.1 | 171.5 | -66.7 | 178 | -163.9 | 0 | 0 | 111.1 | W922 K924 Q953 | W922-E951 HydrophobicContact CE3-CB 4.07Å; K924-E951 HydrophobicContact CG-CG 4.19Å; K924-E951 VanDerWaalsContact CG-OE2 3.28Å; K924-E951 WeakPolarHBondContact CG-OE2 3.3Å; K924-E951 IonicContact NZ-OE1 2.78Å; K924-E951 PolarHBondContact NZ-OE1 3.37Å; K924-E951 IonicContact NZ-OE2 2.73Å; K924-E951 PolarHBondContact NZ-OE2 3.09Å; E951-Q953 PolarHBondContact O-N 3.08Å; E951-Q953 VanDerWaalsContact O-N 3.1Å |
| 952 | L | 90.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 107.6 | -174.7 | -171.1 | 72 | 0 | 0 | 0 | 109.6 | L868 L923 V931 V934 I938 I954 A1089 K1091 | L868-L952 HydrophobicContact CD1-CD2 4.3Å; L868-L952 HydrophobicContact CD2-CD2 4Å; L923-L952 HydrophobicContact CB-CB 4.48Å; L923-L952 PolarHBondContact N-O 3.08Å; L923-L952 PolarHBondContact O-N 2.91Å; V931-L952 HydrophobicContact CG1-CB 4.34Å; V931-L952 HydrophobicContact CG1-CD2 4.15Å; V934-L952 HydrophobicContact CG1-CD2 4.41Å; I938-L952 HydrophobicContact CD1-CD1 4.43Å; L952-I954 HydrophobicContact CD2-CD1 3.96Å; L952-I954 HydrophobicContact CG-CD1 4.08Å; L952-I954 PolarHBondContact O-N 2.92Å; L952-A1089 HydrophobicContact CD1-CB 4.09Å; L952-A1089 HydrophobicContact CD2-CB 4.41Å; L952-A1089 HydrophobicContact CG-CB 4.21Å; L952-K1091 HydrophobicContact CD1-CB 4.08Å; L952-K1091 HydrophobicContact CD1-CD 4.12Å |
| 953 | Q | 91.8 | Very high | 83.1 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 109.4 | 179 | -178.4 | -177.4 | 108.7 | 0 | 0 | 110 | A921 W922 E951 A1089 N1090 W1092 | A921-Q953 CarbonylContact O-C 3.43Å; A921-Q953 WeakPolarHBondContact O-CA 3.29Å; W922-Q953 HydrophobicContact CD2-CB 4.22Å; W922-Q953 HydrophobicContact CD2-CG 4.41Å; W922-Q953 HydrophobicContact CE3-CB 3.76Å; W922-Q953 HydrophobicContact CE3-CG 4.41Å; W922-Q953 HydrophobicContact CH2-CB 4.29Å; W922-Q953 HydrophobicContact CZ3-CB 3.8Å; E951-Q953 PolarHBondContact O-N 3.08Å; E951-Q953 VanDerWaalsContact O-N 3.1Å; Q953-A1089 CarbonylContact O-C 3.58Å; Q953-A1089 VanDerWaalsContact O-CA 3.31Å; Q953-A1089 WeakPolarHBondContact O-CA 3.19Å; Q953-N1090 HydrophobicContact CB-CB 4.31Å; Q953-N1090 PolarHBondContact N-O 2.54Å; Q953-N1090 PolarHBondContact O-N 3.23Å; Q953-N1090 PolarHBondContact OE1-ND2 2.93Å; Q953-W1092 HydrophobicContact CB-CH2 4.42Å; Q953-W1092 HydrophobicContact CB-CZ3 3.9Å; Q953-W1092 HydrophobicContact CG-CZ3 4.48Å |
| 954 | I | 89.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 116.2 | 168.4 | -49.6 | -55 | 0 | 0 | 0 | 108 | L868 A872 S920 A921 L923 L952 I1033 W1087 V1088 A1089 | L868-I954 HydrophobicContact CB-CD1 4.23Å; L868-I954 HydrophobicContact CD1-CD1 4.26Å; L868-I954 HydrophobicContact CD2-CD1 4.38Å; A872-I954 HydrophobicContact CB-CB 3.76Å; A872-I954 HydrophobicContact CB-CG1 4.06Å; A872-I954 HydrophobicContact CB-CG2 3.62Å; S920-I954 CarbonylContact C-O 3.48Å; S920-I954 VanDerWaalsContact CA-O 3.31Å; S920-I954 WeakPolarHBondContact CA-O 3.45Å; A921-I954 PolarHBondContact N-O 2.96Å; A921-I954 PolarHBondContact O-N 2.66Å; L923-I954 HydrophobicContact CD1-CD1 4.18Å; L923-I954 HydrophobicContact CD1-CG1 3.55Å; L923-I954 HydrophobicContact CG-CG1 3.92Å; L952-I954 HydrophobicContact CD2-CD1 3.96Å; L952-I954 HydrophobicContact CG-CD1 4.08Å; L952-I954 PolarHBondContact O-N 2.92Å; I954-I1033 HydrophobicContact CD1-CD1 4Å; I954-I1033 HydrophobicContact CG2-CD1 4.31Å; I954-W1087 HydrophobicContact CG2-CE3 3.85Å; I954-W1087 HydrophobicContact CG2-CZ3 4.01Å; I954-V1088 WeakPolarHBondContact CA-O 3.19Å; I954-A1089 HydrophobicContact CD1-CB 3.57Å |
| 955 | A | 85.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K919 Y957 W1087 V1088 | K919-A955 CarbonylContact O-C 3.6Å; K919-A955 VanDerWaalsContact O-CA 3.27Å; K919-A955 WeakPolarHBondContact O-CA 3.3Å; A955-Y957 HydrophobicContact CB-CD2 4.48Å; A955-Y957 HydrophobicContact CB-CE2 3.89Å; A955-W1087 CarbonylContact O-C 3.53Å; A955-W1087 WeakPolarHBondContact O-CA 3.31Å; A955-V1088 HydrophobicContact CB-CG2 3.96Å; A955-V1088 PolarHBondContact N-O 3.25Å; A955-V1088 PolarHBondContact O-N 2.83Å |
| 956 | N | 81.6 | Confident | 80.9 | Confident | 24 Ų | 24 | 27.1 Ų | 27.1 | 13% | 0.128 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.5 | 171.1 | 175.8 | -24 | 0 | 0 | 0 | 108.5 | L876 S918 K919 G958 V1085 W1087 | L876-N956 HydrophobicContact CD1-CB 4.34Å; S918-N956 CarbonylContact C-O 3.45Å; S918-N956 VanDerWaalsContact CA-O 3.29Å; S918-N956 WeakPolarHBondContact CA-O 3.22Å; S918-N956 VanDerWaalsContact CB-O 3.27Å; S918-N956 WeakPolarHBondContact CB-O 3.3Å; K919-N956 PolarHBondContact N-O 3.09Å; K919-N956 PolarHBondContact O-N 2.96Å; N956-G958 PolarHBondContact OD1-N 2.86Å; N956-V1085 WeakPolarHBondContact OD1-CG1 3.45Å; N956-W1087 HydrophobicContact CB-CD2 4.05Å; N956-W1087 HydrophobicContact CB-CE3 4.11Å; N956-W1087 HydrophobicContact CB-CH2 4.37Å; N956-W1087 HydrophobicContact CB-CZ2 4.28Å; N956-W1087 HydrophobicContact CB-CZ3 4.27Å; N956-W1087 VanDerWaalsContact ND2-CE2 3.34Å; N956-W1087 WeakPolarHBondContact ND2-CZ2 3.46Å |
| 957 | Y | 69.5 | Low | 80.3 | Confident | 9 Ų | 9 | 27.4 Ų | 27.4 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 104.5 | 164.9 | -59.2 | -99 | 0 | 0 | 0 | 107.6 | I917 S918 A955 A1078 K1086 V1088 | I917-Y957 WeakPolarHBondContact O-CD1 3.43Å; S918-Y957 VanDerWaalsContact OG-CE1 3.3Å; S918-Y957 WeakPolarHBondContact OG-CE1 3.21Å; A955-Y957 HydrophobicContact CB-CD2 4.48Å; A955-Y957 HydrophobicContact CB-CE2 3.89Å; Y957-A1078 HydrophobicContact CE1-CB 4.26Å; Y957-K1086 PolarHBondContact N-O 2.76Å; Y957-K1086 PolarHBondContact O-N 2.93Å; Y957-V1088 HydrophobicContact CD2-CG2 4.34Å; Y957-V1088 HydrophobicContact CE2-CG2 3.82Å |
| 958 | G | 65.6 | Low | 79.9 | Confident | 28 Ų | 28 | 19.8 Ų | 19.8 | 29% | 0.289 | 11% | 0.107 | S | C | . | . | trans | -77 | -171.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N956 G960 G961 | N956-G958 PolarHBondContact OD1-N 2.86Å; G958-G960 PolarHBondContact O-N 2.87Å; G958-G961 VanDerWaalsContact O-CA 3.29Å; G958-G961 WeakPolarHBondContact O-CA 3.44Å; G958-G961 PolarHBondContact O-N 3.49Å | ||
| 959 | L | 67 | Low | 79.3 | Confident | 42 Ų | 42 | 19 Ų | 19 | 22% | 0.22 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -52 | 130.3 | 179.7 | -66.1 | 161.3 | 0 | 0 | 0 | 112.5 | T84 P86 S89 G961 | T84-L959 WeakPolarHBondContact O-CD2 3.46Å; P86-L959 HydrophobicContact CB-CD2 4.17Å; S89-L959 VanDerWaalsContact OG-CD1 3.25Å; S89-L959 WeakPolarHBondContact OG-CD1 3.4Å; L959-G961 PolarHBondContact O-N 3.06Å |
| 960 | G | 70.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -0.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R660 G958 H962 V1081 | R660-G960 PolarHBondContact NH1-O 2.98Å; G958-G960 PolarHBondContact O-N 2.87Å; G960-H962 PolarHBondContact O-ND1 2.98Å; G960-V1081 PolarHBondContact N-O 2.89Å |
| 961 | G | 71.1 | Confident | 76.5 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | trans | -74.4 | 130.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I917 G958 L959 P1080 V1081 | I917-G961 CarbonylContact O-C 3.58Å; I917-G961 WeakPolarHBondContact O-CA 3.38Å; G958-G961 VanDerWaalsContact O-CA 3.29Å; G958-G961 WeakPolarHBondContact O-CA 3.44Å; G958-G961 PolarHBondContact O-N 3.49Å; L959-G961 PolarHBondContact O-N 3.06Å; G961-P1080 WeakPolarHBondContact O-CA 3.37Å; G961-V1081 PolarHBondContact O-N 2.75Å | ||
| 962 | H | 76.3 | Confident | 74.3 | Confident | 7 Ų | 7 | 22.3 Ų | 22.3 | 3% | 0.032 | 11% | 0.113 | C | C | . | . | trans | -150.8 | 173.7 | -169.2 | 65.5 | -72.4 | 0 | 0 | 0 | 110.8 | R660 N914 I917 G960 D964 A1078 P1080 | R660-H962 VanDerWaalsContact CD-CE1 3.5Å; R660-H962 WeakPolarHBondContact CD-CE1 3.39Å; R660-H962 WeakPolarHBondContact CD-ND1 3.48Å; R660-H962 PolarHBondContact NE-CE1 2.97Å; N914-H962 PolarHBondContact O-NE2 3.11Å; I917-H962 PolarHBondContact N-O 2.73Å; I917-H962 PolarHBondContact O-N 3.21Å; G960-H962 PolarHBondContact O-ND1 2.98Å; H962-D964 IonicContact CD2-OD1 2.92Å; H962-D964 PolarHBondContact CD2-OD1 2.78Å; H962-D964 IonicContact NE2-OD1 3.8Å; H962-A1078 WeakPolarHBondContact CA-O 3.24Å; H962-A1078 VanDerWaalsContact CB-O 3.3Å; H962-A1078 WeakPolarHBondContact CB-O 3.29Å; H962-P1080 HydrophobicContact CB-CB 4.32Å; H962-P1080 HydrophobicContact CB-CG 3.96Å | ||
| 963 | Y | 78.4 | Confident | 71.7 | Confident | 35 Ų | 35 | 23 Ų | 23 | 14% | 0.137 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 120 | 164.2 | -158.3 | 153.1 | 0 | 0 | 0 | 107.3 | Y915 R916 H966 A1077 A1078 | Y915-Y963 HydrophobicContact CD2-CD2 4.45Å; Y915-Y963 AromaticContact CD2-CE2 3.93Å; Y915-Y963 HydrophobicContact CD2-CE2 3.93Å; Y915-Y963 HydrophobicContact CE2-CE2 4.32Å; Y915-Y963 WeakPolarHBondContact O-CA 3.07Å; Y915-Y963 VanDerWaalsContact O-CD2 3.32Å; Y915-Y963 WeakPolarHBondContact O-CD2 3.36Å; R916-Y963 HydrophobicContact CB-CD1 4.44Å; R916-Y963 HydrophobicContact CB-CD2 4.18Å; R916-Y963 HydrophobicContact CB-CE2 4.28Å; R916-Y963 HydrophobicContact CB-CG 4.26Å; R916-Y963 VanDerWaalsContact CD-CE1 3.47Å; R916-Y963 HydrophobicContact CG-CD1 3.79Å; R916-Y963 HydrophobicContact CG-CD2 4.4Å; R916-Y963 HydrophobicContact CG-CE1 4.02Å; R916-Y963 HydrophobicContact CG-CG 4Å; Y963-H966 AromaticContact CD1-CE1 3.61Å; Y963-H966 AromaticContact CD1-NE2 3.98Å; Y963-H966 AromaticContact CD2-CE1 3.56Å; Y963-H966 AromaticContact CD2-ND1 3.36Å; Y963-H966 WeakPolarHBondContact CD2-ND1 3.23Å; Y963-H966 AromaticContact CE1-CE1 3.77Å; Y963-H966 AromaticContact CE1-NE2 3.71Å; Y963-H966 HydrophobicContact CE2-CB 4.23Å; Y963-H966 AromaticContact CE2-CE1 3.73Å; Y963-H966 AromaticContact CE2-CG 3.69Å; Y963-H966 AromaticContact CE2-ND1 3.47Å; Y963-H966 WeakPolarHBondContact CE2-ND1 3.4Å; Y963-H966 AromaticContact CG-CE1 3.51Å; Y963-H966 AromaticContact CG-ND1 3.8Å; Y963-H966 AromaticContact CZ-CD2 3.9Å; Y963-H966 AromaticContact CZ-CE1 3.84Å; Y963-H966 AromaticContact CZ-ND1 3.98Å; Y963-H966 AromaticContact CZ-NE2 3.76Å; Y963-A1077 CarbonylContact O-C 3.59Å; Y963-A1077 WeakPolarHBondContact O-CA 3.25Å; Y963-A1077 WeakPolarHBondContact O-CB 3.36Å; Y963-A1078 PolarHBondContact N-O 3.31Å; Y963-A1078 PolarHBondContact O-N 3.25Å |
| 964 | D | 73.8 | Confident | 69.1 | Low | 32 Ų | 32 | 25.1 Ų | 25.1 | 17% | 0.171 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 159.7 | 177.5 | -71 | -14.3 | 0 | 0 | 0 | 112.9 | L802 Y915 H962 H966 | L802-D964 HydrophobicContact CD1-CB 4.37Å; L802-D964 HydrophobicContact CD2-CB 4.38Å; Y915-D964 WeakPolarHBondContact CA-OD2 3.31Å; Y915-D964 WeakPolarHBondContact CB-OD2 3.34Å; Y915-D964 PolarHBondContact O-N 3.2Å; H962-D964 IonicContact CD2-OD1 2.92Å; H962-D964 PolarHBondContact CD2-OD1 2.78Å; H962-D964 IonicContact NE2-OD1 3.8Å; D964-H966 PolarHBondContact O-N 3.34Å; D964-H966 VanDerWaalsContact O-N 3.14Å; D964-H966 PolarHBondContact O-ND1 3.17Å |
| 965 | P | 77.8 | Confident | 66.5 | Low | 8 Ų | 8 | 32.4 Ų | 32.4 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 115.2 | 178.9 | -24.8 | 31.3 | 0 | 0 | 0 | 114.6 | L802 E804 F808 T1045 R1075 H1076 A1077 | L802-P965 HydrophobicContact CD2-CG 4.43Å; E804-P965 HydrophobicContact CG-CG 4.39Å; E804-P965 WeakPolarHBondContact OE1-CB 3.37Å; E804-P965 WeakPolarHBondContact OE1-CG 3.36Å; F808-P965 HydrophobicContact CB-CG 4.01Å; F808-P965 HydrophobicContact CD2-CG 3.92Å; F808-P965 HydrophobicContact CG-CG 3.97Å; P965-T1045 HydrophobicContact CB-CG2 4.1Å; P965-T1045 HydrophobicContact CG-CG2 3.84Å; P965-R1075 HydrophobicContact CB-CG 4.29Å; P965-R1075 PolarHBondContact O-NE 2.85Å; P965-R1075 VanDerWaalsContact O-NE 3.08Å; P965-R1075 PolarHBondContact O-NH2 3.48Å; P965-H1076 CarbonylContact C-O 3.59Å; P965-H1076 WeakPolarHBondContact CA-O 3.4Å; P965-A1077 HydrophobicContact CB-CB 4.2Å; P965-A1077 HydrophobicContact CG-CB 3.81Å |
| 966 | H | 77.4 | Confident | 63.8 | Low | 34 Ų | 34 | 35.5 Ų | 35.5 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 176.9 | -176.3 | 62.6 | -76 | 0 | 0 | 0 | 112.3 | Y963 D964 R1075 H1076 | Y963-H966 AromaticContact CD1-CE1 3.61Å; Y963-H966 AromaticContact CD1-NE2 3.98Å; Y963-H966 AromaticContact CD2-CE1 3.56Å; Y963-H966 AromaticContact CD2-ND1 3.36Å; Y963-H966 WeakPolarHBondContact CD2-ND1 3.23Å; Y963-H966 AromaticContact CE1-CE1 3.77Å; Y963-H966 AromaticContact CE1-NE2 3.71Å; Y963-H966 HydrophobicContact CE2-CB 4.23Å; Y963-H966 AromaticContact CE2-CE1 3.73Å; Y963-H966 AromaticContact CE2-CG 3.69Å; Y963-H966 AromaticContact CE2-ND1 3.47Å; Y963-H966 WeakPolarHBondContact CE2-ND1 3.4Å; Y963-H966 AromaticContact CG-CE1 3.51Å; Y963-H966 AromaticContact CG-ND1 3.8Å; Y963-H966 AromaticContact CZ-CD2 3.9Å; Y963-H966 AromaticContact CZ-CE1 3.84Å; Y963-H966 AromaticContact CZ-ND1 3.98Å; Y963-H966 AromaticContact CZ-NE2 3.76Å; D964-H966 PolarHBondContact O-N 3.34Å; D964-H966 VanDerWaalsContact O-N 3.14Å; D964-H966 PolarHBondContact O-ND1 3.17Å; H966-R1075 WeakPolarHBondContact O-CA 3.39Å; H966-R1075 WeakPolarHBondContact O-CG 3.45Å; H966-H1076 AromaticContact CE1-NE2 3.88Å; H966-H1076 PolarHBondContact N-O 3.25Å; H966-H1076 PolarHBondContact ND1-O 3.08Å; H966-H1076 AromaticContact NE2-CE1 3.99Å; H966-H1076 AromaticContact NE2-NE2 3.65Å; H966-H1076 PolarHBondContact O-N 3.18Å |
| 967 | F | 79.2 | Confident | 61.3 | Low | 35 Ų | 35 | 43.5 Ų | 43.5 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | trans | -113.9 | 144.8 | 171.3 | -67.1 | -72.6 | 0 | 0 | 0 | 109.6 | H969 V1072 R1075 | F967-H969 AromaticContact CD1-CE1 3.45Å; F967-H969 VanDerWaalsContact CD1-CE1 3.45Å; F967-H969 WeakPolarHBondContact CD1-CE1 3.12Å; F967-H969 AromaticContact CD1-NE2 3.6Å; F967-H969 AromaticContact CG-NE2 3.89Å; F967-V1072 HydrophobicContact CE1-CB 4.48Å; F967-V1072 WeakPolarHBondContact CE1-O 3.29Å; F967-V1072 HydrophobicContact CZ-CB 4.48Å; F967-R1075 HydrophobicContact CD1-CB 4.14Å; F967-R1075 HydrophobicContact CD1-CG 4.43Å; F967-R1075 HydrophobicContact CE1-CB 3.44Å; F967-R1075 VanDerWaalsContact CE1-CB 3.44Å; F967-R1075 HydrophobicContact CE1-CG 3.96Å; F967-R1075 HydrophobicContact CE2-CB 4.39Å; F967-R1075 HydrophobicContact CE2-CG 4.08Å; F967-R1075 HydrophobicContact CZ-CB 3.59Å; F967-R1075 HydrophobicContact CZ-CG 3.77Å | ||
| 968 | D | 80.8 | Confident | 59.3 | Low | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -86.7 | -21.7 | 169.3 | -92.8 | -33.1 | 0 | 0 | 0 | 113 | R1025 T1028 H1076 W1092 | D968-R1025 WeakPolarHBondContact O-CD 3.28Å; D968-R1025 IonicContact OD1-NH1 3.94Å; D968-R1025 PolarHBondContact OD1-NH1 3.22Å; D968-R1025 VanDerWaalsContact OD1-NH1 3.13Å; D968-T1028 WeakPolarHBondContact OD2-CB 3.45Å; D968-T1028 VanDerWaalsContact OD2-CG2 3.31Å; D968-T1028 WeakPolarHBondContact OD2-CG2 3.04Å; D968-T1028 PolarHBondContact OD2-OG1 3.29Å; D968-H1076 IonicContact OD2-CE1 2.73Å; D968-H1076 IonicContact OD2-NE2 2.63Å; D968-W1092 PolarHBondContact OD1-NE1 2.92Å; D968-W1092 PolarHBondContact OD2-NE1 3.42Å |
| 969 | H | 74.4 | Confident | 57.5 | Low | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.046 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -89.4 | 151.4 | 174 | 60.9 | -111.7 | 0 | 0 | 0 | 111.3 | F967 N1024 N1063 L1064 D1071 | F967-H969 AromaticContact CD1-CE1 3.45Å; F967-H969 VanDerWaalsContact CD1-CE1 3.45Å; F967-H969 WeakPolarHBondContact CD1-CE1 3.12Å; F967-H969 AromaticContact CD1-NE2 3.6Å; F967-H969 AromaticContact CG-NE2 3.89Å; H969-N1024 WeakPolarHBondContact CA-OD1 3.47Å; H969-N1063 HydrophobicContact CB-CB 4.03Å; H969-N1063 PolarHBondContact ND1-O 3.01Å; H969-L1064 HydrophobicContact CB-CD2 3.59Å; H969-D1071 PolarHBondContact CE1-O 3.03Å |
| 970 | A | 62.9 | Low | 55.5 | Low | 8 Ų | 8 | 55.2 Ų | 55.2 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | trans | -74.9 | 143 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I972 F1017 N1024 | A970-I972 VanDerWaalsContact C-N 3.25Å; A970-I972 PolarHBondContact O-N 3.04Å; A970-F1017 HydrophobicContact CB-CD2 4.07Å; A970-F1017 HydrophobicContact CB-CE2 3.69Å; A970-N1024 PolarHBondContact N-OD1 3.33Å; A970-N1024 PolarHBondContact O-ND2 3.38Å | ||
| 971 | R | 52.9 | Low | 53.7 | Low | 100 Ų | 100 | 64.9 Ų | 64.9 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -78.1 | -4.6 | -177.1 | -58.3 | -177.7 | -155.7 | -133.3 | 2.6 | 114.4 | Y1010 E1013 | R971-Y1010 PolarHBondContact NH1-OH 2.85Å; R971-Y1010 VanDerWaalsContact NH1-OH 3.1Å; R971-E1013 WeakPolarHBondContact CB-OE2 3.42Å; R971-E1013 WeakPolarHBondContact CD-OE1 3.4Å; R971-E1013 WeakPolarHBondContact CG-OE1 3.13Å; R971-E1013 WeakPolarHBondContact CG-OE2 3.41Å; R971-E1013 IonicContact CZ-OE1 2.76Å; R971-E1013 PolarHBondContact N-OE2 3.09Å; R971-E1013 IonicContact NE-OE1 3.33Å; R971-E1013 PolarHBondContact NE-OE1 3.2Å |
| 972 | I | 43.7 | Very low | 51.7 | Low | 83 Ų | 83 | 71.3 Ų | 71.3 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -106.3 | 116.3 | 173.5 | -53.9 | -169.6 | 0 | 0 | 0 | 108.3 | A970 E1013 | A970-I972 VanDerWaalsContact C-N 3.25Å; A970-I972 PolarHBondContact O-N 3.04Å; I972-E1013 HydrophobicContact CD1-CB 4.49Å; I972-E1013 VanDerWaalsContact CD1-O 3.31Å; I972-E1013 WeakPolarHBondContact CD1-O 3.3Å; I972-E1013 HydrophobicContact CG1-CB 4.41Å |
| 973 | A | 36.7 | Very low | 49.6 | Very low | 15 Ų | 15 | 76.6 Ų | 76.6 | 12% | 0.124 | 41% | 0.413 | C | S | . | . | trans | -67.3 | 145.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y975 E1069 | A973-Y975 HydrophobicContact CB-CD2 4.21Å; A973-Y975 HydrophobicContact CB-CE2 3.66Å; A973-Y975 PolarHBondContact O-N 3.22Å; A973-E1069 WeakPolarHBondContact CB-OE1 3.17Å | ||
| 974 | N | 37.2 | Very low | 47.2 | Very low | 46 Ų | 46 | 81.8 Ų | 81.8 | 25% | 0.246 | 44% | 0.438 | C | S | . | . | trans | -91.4 | 75.5 | -173.2 | -103.2 | -62.5 | 0 | 0 | 0 | 112.2 | G976 N1015 | N974-G976 PolarHBondContact O-N 2.73Å; N974-N1015 PolarHBondContact ND2-OD1 3.34Å; N974-N1015 PolarHBondContact OD1-ND2 2.91Å; N974-N1015 PolarHBondContact OD1-OD1 3.2Å | ||
| 975 | Y | 33.1 | Very low | 45 | Very low | 154 Ų | 154 | 89.4 Ų | 89.4 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | trans | -67.6 | 88.8 | 176 | -69.4 | -78.9 | 0 | 0 | 0 | 112.3 | A973 E1069 | A973-Y975 HydrophobicContact CB-CD2 4.21Å; A973-Y975 HydrophobicContact CB-CE2 3.66Å; A973-Y975 PolarHBondContact O-N 3.22Å; Y975-E1069 PolarHBondContact OH-OE1 3.18Å | ||
| 976 | G | 30.7 | Very low | 42.8 | Very low | 64 Ų | 64 | 95.3 Ų | 95.3 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | trans | -73.3 | 135.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N974 A978 | N974-G976 PolarHBondContact O-N 2.73Å; G976-A978 PolarHBondContact O-N 2.93Å | ||
| 977 | L | 27.2 | Very low | 40.4 | Very low | 192 Ų | 192 | 101.9 Ų | 101.9 | 100% | 1.005 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 45.1 | 25.4 | 157.9 | -79.4 | 167.5 | 0 | 0 | 0 | 119.6 | ||
| 978 | A | 28.8 | Very low | 38.1 | Very low | 99 Ų | 99 | 103.6 Ų | 103.6 | 82% | 0.818 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -156.4 | -29.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G976 H980 | G976-A978 PolarHBondContact O-N 2.93Å; A978-H980 PolarHBondContact O-N 2.82Å; A978-H980 VanDerWaalsContact O-N 3.16Å |
| 979 | G | 27.8 | Very low | 36.1 | Very low | 41 Ų | 41 | 110.4 Ų | 110.4 | 42% | 0.423 | 59% | 0.586 | S | S | . | * | trans | -78.6 | 94.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 980 | H | 24.7 | Very low | 34.1 | Very low | 186 Ų | 186 | 120.7 Ų | 120.7 | 86% | 0.861 | 62% | 0.624 | S | S | * | * | trans | -94.8 | 103.5 | 157.1 | -87.3 | -17.7 | 0 | 0 | 0 | 110.1 | A978 | A978-H980 PolarHBondContact O-N 2.82Å; A978-H980 VanDerWaalsContact O-N 3.16Å | ||
| 981 | Y | 33.5 | Very low | 33.2 | Very low | 203 Ų | 203 | 128.1 Ų | 128.1 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | trans | -140.4 | 120.9 | 157.1 | -77.7 | -70.4 | 0 | 0 | 0 | 109.7 | H984 | Y981-H984 AromaticContact CD1-CD2 3.77Å; Y981-H984 AromaticContact CD1-NE2 3.91Å | ||
| 982 | D | 28.3 | Very low | 32.6 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | trans | -59 | 161.7 | 158.8 | -82.4 | -61.5 | 0 | 0 | 0 | 110.4 | H984 | D982-H984 PolarHBondContact O-CD2 2.9Å; D982-H984 PolarHBondContact O-N 3.19Å | ||
| 983 | P | 31.8 | Very low | 32.7 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | trans | -62.7 | 91 | 179.8 | 25.4 | -35.4 | 0 | 0 | 0 | 112.3 | F985 | P983-F985 PolarHBondContact O-N 3.06Š| ||
| 984 | H | 28.6 | Very low | 33.2 | Very low | 144 Ų | 144 | 136 Ų | 136 | 67% | 0.667 | 72% | 0.715 | S | S | * | * | trans | -73.2 | 121 | 179.7 | -95.5 | -91.6 | 0 | 0 | 0 | 111.8 | Y981 D982 D986 | Y981-H984 AromaticContact CD1-CD2 3.77Å; Y981-H984 AromaticContact CD1-NE2 3.91Å; D982-H984 PolarHBondContact O-CD2 2.9Å; D982-H984 PolarHBondContact O-N 3.19Å; H984-D986 PolarHBondContact O-N 2.97Å; H984-D986 VanDerWaalsContact O-N 3.1Å | ||
| 985 | F | 27.6 | Very low | 33.5 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | -70.7 | 92.5 | 163.1 | -74.9 | -106.2 | 0 | 0 | 0 | 109.8 | P983 M987 | P983-F985 PolarHBondContact O-N 3.06Å; F985-M987 PolarHBondContact O-N 3.02Å; F985-M987 VanDerWaalsContact O-N 3.11Å | ||
| 986 | D | 31.2 | Very low | 34 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | -78.1 | 93.8 | 169.1 | -166.2 | -16.1 | 0 | 0 | 0 | 110.8 | H984 S988 | H984-D986 PolarHBondContact O-N 2.97Å; H984-D986 VanDerWaalsContact O-N 3.1Å; D986-S988 PolarHBondContact OD1-N 3.33Å; D986-S988 PolarHBondContact OD1-OG 2.71Å | ||
| 987 | M | 27.8 | Very low | 34.7 | Very low | 171 Ų | 171 | 145 Ų | 145 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | trans | -92.5 | 69.7 | 164.7 | -67.7 | -152.4 | -52 | 0 | 0 | 111.5 | F985 | F985-M987 PolarHBondContact O-N 3.02Å; F985-M987 VanDerWaalsContact O-N 3.11Å | ||
| 988 | S | 31.3 | Very low | 35.5 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 50% | 0.497 | 73% | 0.732 | S | S | . | * | trans | -153.4 | 99.4 | 166.5 | 62.7 | 0 | 0 | 0 | 0 | 116.8 | D986 | D986-S988 PolarHBondContact OD1-N 3.33Å; D986-S988 PolarHBondContact OD1-OG 2.71Å | ||
| 989 | L | 36.9 | Very low | 35.9 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -83.4 | 114.8 | 143 | -80.9 | 178.5 | 0 | 0 | 0 | 108.3 | N991 | L989-N991 VanDerWaalsContact C-N 3.34Å; L989-N991 PolarHBondContact O-N 2.84Å | ||
| 990 | R | 32.9 | Very low | 36.3 | Very low | 225 Ų | 225 | 150.3 Ų | 150.3 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 81 | -177 | -65.8 | 178.5 | 177.9 | 175.6 | -1.5 | 112 | ||
| 991 | N | 44.3 | Very low | 36.5 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.3 | -9.8 | 142.9 | -92.2 | -14.9 | 0 | 0 | 0 | 115.2 | L989 S993 | L989-N991 VanDerWaalsContact C-N 3.34Å; L989-N991 PolarHBondContact O-N 2.84Å; N991-S993 PolarHBondContact O-N 3.34Å |
| 992 | E | 39.5 | Very low | 36.5 | Very low | 153 Ų | 153 | 142 Ų | 142 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | trans | -81.2 | 115.4 | -171.1 | -67.6 | -168.6 | 147 | 0 | 0 | 114 | N994 | E992-N994 PolarHBondContact O-N 3.24Š| ||
| 993 | S | 46.9 | Very low | 36.5 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -87 | 97.7 | 175.5 | 46.7 | 0 | 0 | 0 | 0 | 111.8 | N991 | N991-S993 PolarHBondContact O-N 3.34Š|
| 994 | N | 46 | Very low | 36.4 | Very low | 93 Ų | 93 | 147.2 Ų | 147.2 | 50% | 0.497 | 75% | 0.753 | S | S | . | * | trans | 77.1 | 91.8 | 176.8 | -170.6 | 1.2 | 0 | 0 | 0 | 115.9 | E992 Y996 | E992-N994 PolarHBondContact O-N 3.24Å; N994-Y996 PolarHBondContact O-N 3.07Å; N994-Y996 WeakPolarHBondContact OD1-CB 3.35Å; N994-Y996 WeakPolarHBondContact OD1-CD2 2.96Å; N994-Y996 PolarHBondContact OD1-N 2.85Å | ||
| 995 | P | 44.4 | Very low | 36.3 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -1.8 | 178.3 | 31.9 | -36.5 | 0 | 0 | 0 | 114.8 | ||
| 996 | Y | 44.7 | Very low | 36.4 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 11.5 | -174.2 | -59 | -77.4 | 0 | 0 | 0 | 114.4 | N994 | N994-Y996 PolarHBondContact O-N 3.07Å; N994-Y996 WeakPolarHBondContact OD1-CB 3.35Å; N994-Y996 WeakPolarHBondContact OD1-CD2 2.96Å; N994-Y996 PolarHBondContact OD1-N 2.85Å |
| 997 | K | 45.2 | Very low | 36.1 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -90 | -9.6 | -163.6 | -138.4 | 179.6 | -176.9 | -176.6 | 0 | 116.4 | ||
| 998 | H | 44.1 | Very low | 36 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -133.9 | 122.9 | 177.3 | -67.1 | -78.6 | 0 | 0 | 0 | 110.7 | E1000 | H998-E1000 VanDerWaalsContact C-N 3.26Å; H998-E1000 PolarHBondContact O-N 3.42Å |
| 999 | G | 36.5 | Very low | 35.8 | Very low | 92 Ų | 92 | 141 Ų | 141 | 95% | 0.948 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 34.6 | -162.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1000 | E | 36.3 | Very low | 35.6 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -0 | -175.4 | -60.9 | -176.5 | 153.6 | 0 | 0 | 113.2 | H998 N1002 | H998-E1000 VanDerWaalsContact C-N 3.26Å; H998-E1000 PolarHBondContact O-N 3.42Å; E1000-N1002 PolarHBondContact O-N 2.89Å; E1000-N1002 VanDerWaalsContact O-N 3.07Å |
| 1001 | G | 29.5 | Very low | 35.5 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -83.4 | 72.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1003 | G1001-R1003 PolarHBondContact O-N 2.86Š| ||
| 1002 | N | 32.4 | Very low | 34.9 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -76.3 | 51.7 | 178.4 | -132.7 | 5.8 | 0 | 0 | 0 | 113.5 | E1000 I1004 | E1000-N1002 PolarHBondContact O-N 2.89Å; E1000-N1002 VanDerWaalsContact O-N 3.07Å; N1002-I1004 VanDerWaalsContact C-N 3.27Å; N1002-I1004 PolarHBondContact O-N 3.28Å | ||
| 1003 | R | 28.9 | Very low | 34.8 | Very low | 239 Ų | 239 | 136.3 Ų | 136.3 | 90% | 0.902 | 72% | 0.719 | S | S | * | * | trans | -80.6 | 73.4 | 170.5 | -77.6 | -171 | 174.3 | 179.1 | -0.1 | 110.3 | G1001 A1005 | G1001-R1003 PolarHBondContact O-N 2.86Å; R1003-A1005 PolarHBondContact O-N 3.04Å | ||
| 1004 | I | 29.9 | Very low | 34.6 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 65% | 0.651 | 70% | 0.702 | S | S | * | * | trans | -61 | 117.3 | 167.3 | -63 | 174.9 | 0 | 0 | 0 | 107.7 | N1002 T1006 | N1002-I1004 VanDerWaalsContact C-N 3.27Å; N1002-I1004 PolarHBondContact O-N 3.28Å; I1004-T1006 PolarHBondContact O-N 2.76Å | ||
| 1005 | A | 25.8 | Very low | 34.8 | Very low | 73 Ų | 73 | 132 Ų | 132 | 60% | 0.603 | 69% | 0.69 | S | S | * | * | trans | -61 | 131.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R1003 V1007 | R1003-A1005 PolarHBondContact O-N 3.04Å; A1005-V1007 HydrophobicContact CB-CG2 4.07Å; A1005-V1007 PolarHBondContact O-N 2.91Å | ||
| 1006 | T | 29 | Very low | 35 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | trans | -76.9 | 47.5 | -175.8 | -38.6 | 0 | 0 | 0 | 0 | 112.4 | I1004 L1008 | I1004-T1006 PolarHBondContact O-N 2.76Å; T1006-L1008 VanDerWaalsContact C-N 3.28Å; T1006-L1008 PolarHBondContact O-N 3.36Å | ||
| 1007 | V | 26.7 | Very low | 35.7 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 74% | 0.739 | 64% | 0.635 | S | S | * | * | trans | -93.4 | 59.3 | 178.3 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | A1005 | A1005-V1007 HydrophobicContact CB-CG2 4.07Å; A1005-V1007 PolarHBondContact O-N 2.91Å | ||
| 1008 | L | 25.3 | Very low | 35.9 | Very low | 126 Ų | 126 | 119.7 Ų | 119.7 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -133.8 | 119.4 | 178 | -73.3 | 174.8 | 0 | 0 | 0 | 111.5 | T1006 Y1010 | T1006-L1008 VanDerWaalsContact C-N 3.28Å; T1006-L1008 PolarHBondContact O-N 3.36Å; L1008-Y1010 PolarHBondContact O-N 2.93Å |
| 1009 | L | 27.7 | Very low | 36.2 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 73.7 | -2.2 | 158.3 | -56 | 176.8 | 0 | 0 | 0 | 120.7 | K905 K1011 | K905-L1009 PolarHBondContact NZ-O 2.91Å; L1009-K1011 PolarHBondContact O-N 2.61Å; L1009-K1011 VanDerWaalsContact O-N 3.15Å |
| 1010 | Y | 31.5 | Very low | 37.4 | Very low | 168 Ų | 168 | 115.2 Ų | 115.2 | 66% | 0.659 | 60% | 0.6 | S | S | * | * | trans | -81.4 | 77 | 162.9 | -67.5 | -68.2 | 0 | 0 | 0 | 111.6 | R971 L1008 E1012 | R971-Y1010 PolarHBondContact NH1-OH 2.85Å; R971-Y1010 VanDerWaalsContact NH1-OH 3.1Å; L1008-Y1010 PolarHBondContact O-N 2.93Å; Y1010-E1012 PolarHBondContact O-N 3.13Å | ||
| 1011 | K | 30.2 | Very low | 38.9 | Very low | 194 Ų | 194 | 111.9 Ų | 111.9 | 84% | 0.843 | 59% | 0.589 | S | S | * | * | trans | -70.5 | 116 | 160.4 | -92.3 | -167 | 171.2 | -170.9 | 0 | 108.6 | L1009 E1013 | L1009-K1011 PolarHBondContact O-N 2.61Å; L1009-K1011 VanDerWaalsContact O-N 3.15Å; K1011-E1013 PolarHBondContact O-N 2.83Å | ||
| 1012 | E | 32.5 | Very low | 40.8 | Very low | 165 Ų | 165 | 109.7 Ų | 109.7 | 77% | 0.771 | 56% | 0.561 | S | S | * | * | trans | 25.7 | 88.9 | 155.2 | -65.5 | 169.4 | -178.8 | 0 | 0 | 115.3 | Y1010 V1014 | Y1010-E1012 PolarHBondContact O-N 3.13Å; E1012-V1014 PolarHBondContact O-N 3Å | ||
| 1013 | E | 37.4 | Very low | 42.7 | Very low | 69 Ų | 69 | 103.5 Ų | 103.5 | 32% | 0.322 | 53% | 0.532 | S | S | . | . | trans | -65.9 | 89.6 | 155.5 | -80.7 | -175.1 | -164.7 | 0 | 0 | 107.5 | R971 I972 K1011 N1015 | R971-E1013 WeakPolarHBondContact CB-OE2 3.42Å; R971-E1013 WeakPolarHBondContact CD-OE1 3.4Å; R971-E1013 WeakPolarHBondContact CG-OE1 3.13Å; R971-E1013 WeakPolarHBondContact CG-OE2 3.41Å; R971-E1013 IonicContact CZ-OE1 2.76Å; R971-E1013 PolarHBondContact N-OE2 3.09Å; R971-E1013 IonicContact NE-OE1 3.33Å; R971-E1013 PolarHBondContact NE-OE1 3.2Å; I972-E1013 HydrophobicContact CD1-CB 4.49Å; I972-E1013 VanDerWaalsContact CD1-O 3.31Å; I972-E1013 WeakPolarHBondContact CD1-O 3.3Å; I972-E1013 HydrophobicContact CG1-CB 4.41Å; K1011-E1013 PolarHBondContact O-N 2.83Å; E1013-N1015 PolarHBondContact O-N 3.17Å | ||
| 1014 | V | 42.9 | Very low | 45 | Very low | 77 Ų | 77 | 92.1 Ų | 92.1 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | trans | -51.3 | 128.3 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | E1012 A1016 | E1012-V1014 PolarHBondContact O-N 3Å; V1014-A1016 WeakPolarHBondContact O-CA 3.48Å; V1014-A1016 PolarHBondContact O-N 2.99Å | ||
| 1015 | N | 49.7 | Very low | 47.6 | Very low | 43 Ų | 43 | 87.4 Ų | 87.4 | 23% | 0.23 | 46% | 0.463 | C | S | . | . | trans | -57.6 | 93.2 | -162.7 | -177.8 | -14.6 | 0 | 0 | 0 | 112.3 | N974 E1013 F1017 K1018 | N974-N1015 PolarHBondContact ND2-OD1 3.34Å; N974-N1015 PolarHBondContact OD1-ND2 2.91Å; N974-N1015 PolarHBondContact OD1-OD1 3.2Å; E1013-N1015 PolarHBondContact O-N 3.17Å; N1015-F1017 VanDerWaalsContact C-N 3.26Å; N1015-F1017 PolarHBondContact O-N 3.32Å; N1015-F1017 VanDerWaalsContact O-N 3.15Å; N1015-K1018 HydrophobicContact CB-CB 4.12Å; N1015-K1018 HydrophobicContact CB-CD 4.4Å; N1015-K1018 WeakPolarHBondContact O-CB 3.3Å; N1015-K1018 PolarHBondContact O-N 2.9Å | ||
| 1016 | A | 49.7 | Very low | 50.7 | Low | 23 Ų | 23 | 84.4 Ų | 84.4 | 19% | 0.19 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -26.4 | -157.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1014 | V1014-A1016 WeakPolarHBondContact O-CA 3.48Å; V1014-A1016 PolarHBondContact O-N 2.99Å |
| 1017 | F | 58.2 | Low | 53.7 | Low | 13 Ų | 13 | 78.2 Ų | 78.2 | 6% | 0.057 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -0 | -179 | -50.4 | -67.8 | 0 | 0 | 0 | 113.3 | A970 N1015 S1019 L1020 N1021 G1023 N1024 R1025 H1094 | A970-F1017 HydrophobicContact CB-CD2 4.07Å; A970-F1017 HydrophobicContact CB-CE2 3.69Å; N1015-F1017 VanDerWaalsContact C-N 3.26Å; N1015-F1017 PolarHBondContact O-N 3.32Å; N1015-F1017 VanDerWaalsContact O-N 3.15Å; F1017-S1019 PolarHBondContact O-N 3.14Å; F1017-L1020 HydrophobicContact CD1-CD1 4.17Å; F1017-L1020 PolarHBondContact O-N 3.03Å; F1017-N1021 PolarHBondContact O-N 3.3Å; F1017-G1023 WeakPolarHBondContact CB-O 3.25Å; F1017-N1024 HydrophobicContact CD2-CB 4.36Å; F1017-N1024 WeakPolarHBondContact CE2-OD1 3.13Å; F1017-R1025 HydrophobicContact CE1-CG 3.98Å; F1017-R1025 HydrophobicContact CZ-CG 3.92Å; F1017-H1094 AromaticContact CD1-CE1 3.76Å |
| 1018 | K | 50.4 | Low | 56.9 | Low | 160 Ų | 160 | 72.5 Ų | 72.5 | 70% | 0.696 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.4 | -179.7 | -170.2 | 175.3 | -179.2 | 179.6 | 0 | 112.9 | N1015 | N1015-K1018 HydrophobicContact CB-CB 4.12Å; N1015-K1018 HydrophobicContact CB-CD 4.4Å; N1015-K1018 WeakPolarHBondContact O-CB 3.3Å; N1015-K1018 PolarHBondContact O-N 2.9Å |
| 1019 | S | 50.8 | Low | 60.3 | Low | 83 Ų | 83 | 66.5 Ų | 66.5 | 58% | 0.58 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -31.8 | 174.7 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | F1017 | F1017-S1019 PolarHBondContact O-N 3.14Š|
| 1020 | L | 60.1 | Low | 63.5 | Low | 79 Ų | 79 | 61 Ų | 61 | 41% | 0.414 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -23.2 | -179.6 | -60.2 | -179.8 | 0 | 0 | 0 | 112.7 | F1017 T1022 | F1017-L1020 HydrophobicContact CD1-CD1 4.17Å; F1017-L1020 PolarHBondContact O-N 3.03Å; L1020-T1022 HydrophobicContact CB-CG2 4.38Å; L1020-T1022 WeakPolarHBondContact CB-OG1 3.48Å; L1020-T1022 PolarHBondContact O-N 2.75Å |
| 1021 | N | 67.6 | Low | 66.6 | Low | 116 Ų | 116 | 53 Ų | 53 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 33.5 | -175.3 | -166.4 | 21.5 | 0 | 0 | 0 | 112.8 | F1017 R1096 | F1017-N1021 PolarHBondContact O-N 3.3Å; N1021-R1096 WeakPolarHBondContact O-CD 3.47Å; N1021-R1096 PolarHBondContact O-NH1 3.06Å |
| 1022 | T | 70.7 | Confident | 69.7 | Low | 21 Ų | 21 | 43.8 Ų | 43.8 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -108.2 | -12.3 | 177.1 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | L1020 H1094 R1096 | L1020-T1022 HydrophobicContact CB-CG2 4.38Å; L1020-T1022 WeakPolarHBondContact CB-OG1 3.48Å; L1020-T1022 PolarHBondContact O-N 2.75Å; T1022-H1094 WeakPolarHBondContact O-CB 3.23Å; T1022-H1094 PolarHBondContact OG1-CE1 3.3Å; T1022-H1094 PolarHBondContact OG1-ND1 3.04Å; T1022-H1094 VanDerWaalsContact OG1-ND1 3.11Å; T1022-R1096 WeakPolarHBondContact O-CB 3.32Å; T1022-R1096 PolarHBondContact O-N 3.19Å |
| 1023 | G | 72.6 | Confident | 72.6 | Confident | 17 Ų | 17 | 36 Ų | 36 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | trans | 82.4 | -174.6 | -171 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1017 H1094 | F1017-G1023 WeakPolarHBondContact CB-O 3.25Å; G1023-H1094 PolarHBondContact O-ND1 3.45Å | ||
| 1024 | N | 76.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -70 | 165.8 | 179.1 | -156.3 | -10.6 | 0 | 0 | 0 | 110.7 | H969 A970 F1017 I1026 L1064 H1094 E1095 | H969-N1024 WeakPolarHBondContact CA-OD1 3.47Å; A970-N1024 PolarHBondContact N-OD1 3.33Å; A970-N1024 PolarHBondContact O-ND2 3.38Å; F1017-N1024 HydrophobicContact CD2-CB 4.36Å; F1017-N1024 WeakPolarHBondContact CE2-OD1 3.13Å; N1024-I1026 PolarHBondContact O-N 3.37Å; N1024-I1026 VanDerWaalsContact O-N 3.13Å; N1024-L1064 HydrophobicContact CB-CD1 3.94Å; N1024-H1094 WeakPolarHBondContact O-CA 3.14Å; N1024-E1095 WeakPolarHBondContact CA-OE2 3.35Å; N1024-E1095 VanDerWaalsContact CB-OE2 3.23Å; N1024-E1095 WeakPolarHBondContact CB-OE2 3.37Å; N1024-E1095 PolarHBondContact N-OE2 2.75Å; N1024-E1095 WeakPolarHBondContact O-CG 3.45Å; N1024-E1095 PolarHBondContact O-N 3.34Å |
| 1025 | R | 84.6 | Confident | 77.3 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | trans | -80.4 | 89.7 | -179.7 | -73.3 | 165.8 | 158.6 | -162.8 | -5.4 | 110.4 | E950 D968 F1017 A1027 N1063 W1092 I1093 | E950-R1025 IonicContact OE1-CZ 3.38Å; E950-R1025 IonicContact OE1-NE 2.74Å; E950-R1025 PolarHBondContact OE1-NE 2.92Å; E950-R1025 IonicContact OE1-NH2 2.86Å; E950-R1025 PolarHBondContact OE1-NH2 2.71Å; E950-R1025 IonicContact OE2-CZ 3.33Å; E950-R1025 IonicContact OE2-NH2 3.25Å; E950-R1025 PolarHBondContact OE2-NH2 3.22Å; D968-R1025 WeakPolarHBondContact O-CD 3.28Å; D968-R1025 IonicContact OD1-NH1 3.94Å; D968-R1025 PolarHBondContact OD1-NH1 3.22Å; D968-R1025 VanDerWaalsContact OD1-NH1 3.13Å; F1017-R1025 HydrophobicContact CE1-CG 3.98Å; F1017-R1025 HydrophobicContact CZ-CG 3.92Å; R1025-A1027 PolarHBondContact O-N 2.63Å; R1025-A1027 VanDerWaalsContact O-N 3.16Å; R1025-N1063 VanDerWaalsContact O-CB 3.31Å; R1025-N1063 WeakPolarHBondContact O-CB 3.36Å; R1025-N1063 PolarHBondContact O-ND2 2.89Å; R1025-W1092 HydrophobicContact CG-CB 4.13Å; R1025-W1092 VanDerWaalsContact CZ-CD2 3.44Å; R1025-W1092 VanDerWaalsContact CZ-CG 3.42Å; R1025-W1092 VanDerWaalsContact NH2-CD2 3.26Å; R1025-W1092 VanDerWaalsContact NH2-CE3 3.29Å; R1025-I1093 CarbonylContact C-O 2.95Å; R1025-I1093 VanDerWaalsContact C-O 3.24Å; R1025-I1093 WeakPolarHBondContact CA-O 3.29Å | ||
| 1026 | I | 89.6 | Confident | 79 | Confident | 11 Ų | 11 | 32.9 Ų | 32.9 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | trans | -55.7 | -33 | -175.1 | -157.5 | 167.4 | 0 | 0 | 0 | 114.4 | L944 N1024 H1062 N1063 L1064 I1093 E1095 Q1098 | L944-I1026 HydrophobicContact CD1-CG2 4.3Å; N1024-I1026 PolarHBondContact O-N 3.37Å; N1024-I1026 VanDerWaalsContact O-N 3.13Å; I1026-H1062 CarbonylContact O-C 3.43Å; I1026-H1062 WeakPolarHBondContact O-CA 3.47Å; I1026-N1063 PolarHBondContact O-N 2.9Å; I1026-L1064 HydrophobicContact CB-CD1 4.22Å; I1026-L1064 HydrophobicContact CG1-CB 4.47Å; I1026-L1064 HydrophobicContact CG1-CD1 4.21Å; I1026-L1064 PolarHBondContact O-N 2.87Å; I1026-I1093 HydrophobicContact CG2-CB 4.39Å; I1026-I1093 HydrophobicContact CG2-CG2 4.09Å; I1026-I1093 WeakPolarHBondContact CG2-O 3.09Å; I1026-I1093 PolarHBondContact N-O 2.85Å; I1026-E1095 HydrophobicContact CB-CG 3.95Å; I1026-E1095 HydrophobicContact CD1-CG 4.25Å; I1026-E1095 HydrophobicContact CG1-CG 4.28Å; I1026-Q1098 HydrophobicContact CD1-CB 4.35Å; I1026-Q1098 HydrophobicContact CD1-CG 4.44Å; I1026-Q1098 HydrophobicContact CG2-CG 4.28Å | ||
| 1027 | A | 93.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 155.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L944 R1025 F1060 W1061 N1063 I1093 | L944-A1027 HydrophobicContact CD1-CB 3.74Å; R1025-A1027 PolarHBondContact O-N 2.63Å; R1025-A1027 VanDerWaalsContact O-N 3.16Å; A1027-F1060 HydrophobicContact CB-CE2 3.68Å; A1027-F1060 HydrophobicContact CB-CZ 4.12Å; A1027-W1061 WeakPolarHBondContact CA-O 3.42Å; A1027-W1061 WeakPolarHBondContact CB-O 3.4Å; A1027-N1063 VanDerWaalsContact C-ND2 3.34Å; A1027-I1093 HydrophobicContact CB-CD1 4.47Å; A1027-I1093 PolarHBondContact N-O 3.21Å; A1027-I1093 PolarHBondContact O-N 2.89Å |
| 1028 | T | 94.2 | Very high | 81.8 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.2 | 174.8 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | D968 F1060 W1061 N1063 | D968-T1028 WeakPolarHBondContact OD2-CB 3.45Å; D968-T1028 VanDerWaalsContact OD2-CG2 3.31Å; D968-T1028 WeakPolarHBondContact OD2-CG2 3.04Å; D968-T1028 PolarHBondContact OD2-OG1 3.29Å; T1028-F1060 WeakPolarHBondContact O-CA 3.36Å; T1028-F1060 VanDerWaalsContact O-CD2 3.31Å; T1028-F1060 WeakPolarHBondContact O-CD2 3.23Å; T1028-W1061 HydrophobicContact CG2-CH2 3.6Å; T1028-W1061 HydrophobicContact CG2-CZ2 3.57Å; T1028-W1061 HydrophobicContact CG2-CZ3 4.34Å; T1028-W1061 PolarHBondContact N-O 2.94Å; T1028-W1061 PolarHBondContact O-N 3.35Å; T1028-N1063 PolarHBondContact OG1-ND2 2.89Å; T1028-N1063 PolarHBondContact OG1-OD1 3.36Å |
| 1029 | L | 96 | Very high | 83.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.3 | 165.4 | -168.3 | 140.9 | 0 | 0 | 0 | 109.9 | F856 I938 M941 T942 F1031 A1058 F1060 K1091 | F856-L1029 HydrophobicContact CD2-CD1 4.25Å; F856-L1029 HydrophobicContact CE2-CD1 4.12Å; I938-L1029 HydrophobicContact CG1-CD2 4.23Å; I938-L1029 HydrophobicContact CG2-CB 4.38Å; I938-L1029 HydrophobicContact CG2-CD1 4.24Å; M941-L1029 HydrophobicContact CE-CD1 3.71Å; M941-L1029 HydrophobicContact CE-CD2 4.36Å; T942-L1029 HydrophobicContact CG2-CD1 3.76Å; L1029-F1031 HydrophobicContact CD2-CD2 3.63Å; L1029-F1031 HydrophobicContact CD2-CE1 4.43Å; L1029-F1031 HydrophobicContact CD2-CE2 3.34Å; L1029-F1031 HydrophobicContact CD2-CG 4.29Å; L1029-F1031 HydrophobicContact CD2-CZ 3.79Å; L1029-A1058 HydrophobicContact CD2-CB 3.88Å; L1029-A1058 HydrophobicContact CG-CB 4.36Å; L1029-F1060 HydrophobicContact CB-CD2 4.07Å; L1029-F1060 HydrophobicContact CD1-CB 3.96Å; L1029-F1060 HydrophobicContact CD1-CD2 4.07Å; L1029-F1060 HydrophobicContact CD1-CG 4.31Å; L1029-F1060 HydrophobicContact CG-CB 4.28Å; L1029-F1060 HydrophobicContact CG-CD2 4.47Å; L1029-K1091 PolarHBondContact N-O 3.23Å; L1029-K1091 PolarHBondContact O-N 2.78Å |
| 1030 | M | 95.6 | Very high | 85.4 | Confident | 13 Ų | 13 | 27 Ų | 27 | 6% | 0.064 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118.8 | 177.5 | 178 | -172.7 | 63.4 | 0 | 0 | 110.5 | Y1032 T1042 A1058 V1059 V1088 A1089 N1090 | M1030-Y1032 HydrophobicContact CE-CD1 4.22Å; M1030-Y1032 HydrophobicContact CE-CE1 3.36Å; M1030-Y1032 HydrophobicContact CE-CE2 4.38Å; M1030-Y1032 VanDerWaalsContact CE-CZ 3.47Å; M1030-Y1032 WeakPolarHBondContact CE-OH 3.35Å; M1030-Y1032 HydrophobicContact SD-CE1 4.38Å; M1030-T1042 HydrophobicContact CE-CG2 4.12Å; M1030-T1042 WeakPolarHBondContact CE-OG1 3.34Å; M1030-A1058 CarbonylContact O-C 3.58Å; M1030-A1058 VanDerWaalsContact O-CA 3.23Å; M1030-A1058 WeakPolarHBondContact O-CA 3.46Å; M1030-V1059 HydrophobicContact CB-CG1 4.24Å; M1030-V1059 HydrophobicContact CE-CG1 3.33Å; M1030-V1059 PolarHBondContact N-O 2.76Å; M1030-V1059 PolarHBondContact O-N 3.25Å; M1030-V1088 HydrophobicContact CG-CB 3.81Å; M1030-V1088 HydrophobicContact CG-CG1 4.07Å; M1030-V1088 HydrophobicContact CG-CG2 4.37Å; M1030-V1088 HydrophobicContact SD-CB 3.96Å; M1030-V1088 HydrophobicContact SD-CG1 3.75Å; M1030-V1088 HydrophobicContact SD-CG2 4.18Å; M1030-A1089 CarbonylContact C-O 3.47Å; M1030-A1089 WeakPolarHBondContact CA-O 3.4Å; M1030-N1090 WeakPolarHBondContact CB-OD1 3.28Å; M1030-N1090 WeakPolarHBondContact CG-OD1 3.04Å |
| 1031 | F | 96.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 143 | 168.2 | -63.5 | -95 | 0 | 0 | 0 | 111.1 | V859 I860 V934 I938 M941 L1029 D1057 A1058 V1088 A1089 | V859-F1031 HydrophobicContact CB-CE1 4.32Å; V859-F1031 HydrophobicContact CG2-CD1 4.04Å; V859-F1031 HydrophobicContact CG2-CE1 3.82Å; I860-F1031 HydrophobicContact CB-CD1 4.07Å; I860-F1031 HydrophobicContact CB-CE1 4.22Å; I860-F1031 HydrophobicContact CG2-CD1 3.78Å; I860-F1031 HydrophobicContact CG2-CE1 4.41Å; V934-F1031 HydrophobicContact CG1-CE2 3.83Å; V934-F1031 HydrophobicContact CG1-CZ 3.89Å; I938-F1031 HydrophobicContact CD1-CE2 3.74Å; I938-F1031 HydrophobicContact CD1-CZ 4.34Å; I938-F1031 HydrophobicContact CG1-CE2 3.67Å; I938-F1031 HydrophobicContact CG1-CZ 3.78Å; M941-F1031 HydrophobicContact CE-CE1 4.17Å; M941-F1031 HydrophobicContact CE-CZ 4.24Å; M941-F1031 HydrophobicContact SD-CZ 4.47Å; L1029-F1031 HydrophobicContact CD2-CD2 3.63Å; L1029-F1031 HydrophobicContact CD2-CE1 4.43Å; L1029-F1031 HydrophobicContact CD2-CE2 3.34Å; L1029-F1031 HydrophobicContact CD2-CG 4.29Å; L1029-F1031 HydrophobicContact CD2-CZ 3.79Å; F1031-D1057 WeakPolarHBondContact CA-O 3.46Å; F1031-A1058 HydrophobicContact CB-CB 4.47Å; F1031-A1058 HydrophobicContact CD1-CB 3.66Å; F1031-A1058 HydrophobicContact CE1-CB 4.02Å; F1031-A1058 HydrophobicContact CG-CB 4.01Å; F1031-V1088 CarbonylContact O-C 3.59Å; F1031-V1088 WeakPolarHBondContact O-CA 3.46Å; F1031-V1088 VanDerWaalsContact O-CB 3.3Å; F1031-V1088 WeakPolarHBondContact O-CB 3.41Å; F1031-A1089 HydrophobicContact CB-CB 4.27Å; F1031-A1089 HydrophobicContact CD2-CB 4.26Å; F1031-A1089 PolarHBondContact N-O 3.07Å; F1031-A1089 PolarHBondContact O-N 3.43Å |
| 1032 | Y | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 98.9 | 166.8 | -63.5 | -63.6 | 0 | 0 | 0 | 109.9 | M1030 V1051 P1053 T1054 R1056 D1057 V1059 V1088 | M1030-Y1032 HydrophobicContact CE-CD1 4.22Å; M1030-Y1032 HydrophobicContact CE-CE1 3.36Å; M1030-Y1032 HydrophobicContact CE-CE2 4.38Å; M1030-Y1032 VanDerWaalsContact CE-CZ 3.47Å; M1030-Y1032 WeakPolarHBondContact CE-OH 3.35Å; M1030-Y1032 HydrophobicContact SD-CE1 4.38Å; Y1032-V1051 HydrophobicContact CE2-CG1 4.23Å; Y1032-V1051 PolarHBondContact OH-O 2.73Å; Y1032-P1053 HydrophobicContact CD1-CB 3.48Å; Y1032-P1053 VanDerWaalsContact CD1-CB 3.48Å; Y1032-P1053 HydrophobicContact CE1-CB 3.7Å; Y1032-P1053 HydrophobicContact CG-CB 3.97Å; Y1032-T1054 VanDerWaalsContact CB-O 3.24Å; Y1032-T1054 WeakPolarHBondContact CB-O 3.21Å; Y1032-R1056 PolarHBondContact O-N 2.99Å; Y1032-D1057 HydrophobicContact CD2-CB 4.42Å; Y1032-D1057 PolarHBondContact N-O 2.76Å; Y1032-V1059 HydrophobicContact CE2-CB 4.41Å; Y1032-V1059 HydrophobicContact CE2-CG1 3.91Å; Y1032-V1088 HydrophobicContact CD1-CG1 3.93Å; Y1032-V1088 HydrophobicContact CE1-CG1 4.4Å |
| 1033 | I | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -74.9 | -28.3 | -179.7 | -73.6 | -177.3 | 0 | 0 | 0 | 111.2 | I865 L868 K869 I954 W1087 A1089 | I865-I1033 HydrophobicContact CB-CG2 4.4Å; I865-I1033 HydrophobicContact CG1-CB 4.44Å; I865-I1033 HydrophobicContact CG1-CG1 4.36Å; I865-I1033 HydrophobicContact CG1-CG2 4.21Å; I865-I1033 HydrophobicContact CG2-CG2 3.85Å; L868-I1033 HydrophobicContact CB-CD1 4.33Å; L868-I1033 HydrophobicContact CD1-CD1 4.07Å; K869-I1033 HydrophobicContact CD-CG2 4.45Å; K869-I1033 HydrophobicContact CG-CG2 4.06Å; I954-I1033 HydrophobicContact CD1-CD1 4Å; I954-I1033 HydrophobicContact CG2-CD1 4.31Å; I1033-W1087 HydrophobicContact CB-CB 3.69Å; I1033-W1087 WeakPolarHBondContact CB-O 3.48Å; I1033-W1087 HydrophobicContact CG2-CB 3.56Å; I1033-W1087 HydrophobicContact CG2-CG 4.32Å; I1033-W1087 PolarHBondContact N-O 3.44Å; I1033-A1089 HydrophobicContact CD1-CB 3.74Å; I1033-A1089 HydrophobicContact CG1-CB 4.37Å |
| 1034 | S | 90.1 | Very high | 90.1 | Very high | 15 Ų | 15 | 16.5 Ų | 16.5 | 11% | 0.105 | 9% | 0.091 | C | C | . | . | trans | -136.8 | 162.3 | 165.7 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | V1085 W1087 | S1034-V1085 PolarHBondContact OG-O 2.79Å; S1034-W1087 PolarHBondContact N-O 3.12Å; S1034-W1087 PolarHBondContact OG-N 3.12Å | ||
| 1035 | Q | 89.1 | Confident | 90.6 | Very high | 103 Ų | 103 | 16.7 Ų | 16.7 | 48% | 0.481 | 9% | 0.091 | S | C | . | . | trans | -109.9 | 112.3 | 170.4 | 171.7 | 170.1 | -17.6 | 0 | 0 | 107 | P1053 K1055 | Q1035-P1053 WeakPolarHBondContact CG-O 3.32Å; Q1035-K1055 HydrophobicContact CB-CB 4.12Å | ||
| 1036 | P | 85.5 | Confident | 90.7 | Very high | 7 Ų | 7 | 20.6 Ų | 20.6 | 5% | 0.045 | 11% | 0.111 | C | C | . | . | trans | -61.2 | 152.3 | 165.6 | 26.8 | -35.2 | 0 | 0 | 0 | 110.7 | A1038 P1053 V1081 A1083 K1086 | P1036-A1038 VanDerWaalsContact C-N 3.34Å; P1036-P1053 VanDerWaalsContact CD-CG 3.48Å; P1036-P1053 HydrophobicContact CG-CB 4.45Å; P1036-P1053 HydrophobicContact CG-CG 3.56Å; P1036-V1081 HydrophobicContact CB-CG1 3.66Å; P1036-V1081 HydrophobicContact CG-CG1 4.46Å; P1036-A1083 WeakPolarHBondContact CB-O 3.17Å; P1036-K1086 HydrophobicContact CG-CB 4.2Å | ||
| 1037 | E | 82.9 | Confident | 90.6 | Very high | 112 Ų | 112 | 21.5 Ų | 21.5 | 52% | 0.523 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -70.8 | -33.7 | 178.2 | -59.4 | 71.4 | -151.9 | 0 | 0 | 111.1 | T84 A1083 G1084 | T84-E1037 WeakPolarHBondContact CB-OE2 3.5Å; E1037-A1083 HydrophobicContact CB-CB 4.12Å; E1037-A1083 PolarHBondContact N-O 2.85Å; E1037-G1084 WeakPolarHBondContact OE2-CA 3.29Å; E1037-G1084 PolarHBondContact OE2-N 3.17Å; E1037-G1084 VanDerWaalsContact OE2-N 3.15Å |
| 1038 | A | 84.7 | Confident | 90.4 | Very high | 17 Ų | 17 | 25 Ų | 25 | 14% | 0.14 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 147.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I680 P1036 L1082 A1083 | I680-A1038 HydrophobicContact CD1-CB 4.23Å; I680-A1038 HydrophobicContact CG1-CB 4.4Å; P1036-A1038 VanDerWaalsContact C-N 3.34Å; A1038-L1082 HydrophobicContact CB-CB 4Å; A1038-L1082 HydrophobicContact CB-CD2 4.14Å; A1038-L1082 HydrophobicContact CB-CG 4.16Å; A1038-L1082 PolarHBondContact O-N 3.18Å; A1038-A1083 HydrophobicContact CB-CB 4.03Å; A1038-A1083 PolarHBondContact N-O 3.34Å; A1038-A1083 PolarHBondContact O-N 3.26Å |
| 1039 | G | 87.3 | Confident | 90.2 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 26% | 0.258 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.6 | -149.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y665 A1041 | Y665-G1039 WeakPolarHBondContact OH-CA 3.31Å; G1039-A1041 PolarHBondContact O-N 2.87Å; G1039-A1041 VanDerWaalsContact O-N 3.09Å |
| 1040 | G | 88.4 | Confident | 89.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | 66.1 | 13.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1080 K1086 | G1040-P1080 PolarHBondContact N-O 3.08Å; G1040-K1086 VanDerWaalsContact O-CD 3.25Å; G1040-K1086 WeakPolarHBondContact O-CD 3.35Å; G1040-K1086 VanDerWaalsContact O-CE 3.22Å; G1040-K1086 WeakPolarHBondContact O-CE 3.34Å; G1040-K1086 PolarHBondContact O-NZ 3.17Å | ||
| 1041 | A | 92.1 | Very high | 89.7 | Confident | 11 Ų | 11 | 27.3 Ų | 27.3 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | trans | -54.9 | 151.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1039 V1043 C1079 | G1039-A1041 PolarHBondContact O-N 2.87Å; G1039-A1041 VanDerWaalsContact O-N 3.09Å; A1041-V1043 HydrophobicContact CB-CG1 3.94Å; A1041-C1079 HydrophobicContact CB-CB 4.37Å; A1041-C1079 WeakPolarHBondContact O-CB 3.48Å; A1041-C1079 PolarHBondContact O-N 2.67Å | ||
| 1042 | T | 93.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118 | 162.7 | -69.8 | 0 | 0 | 0 | 0 | 107.9 | M1030 V1051 A1077 K1086 | M1030-T1042 HydrophobicContact CE-CG2 4.12Å; M1030-T1042 WeakPolarHBondContact CE-OG1 3.34Å; T1042-V1051 PolarHBondContact N-O 2.84Å; T1042-V1051 PolarHBondContact O-N 3.13Å; T1042-A1077 CarbonylContact C-O 3.56Å; T1042-A1077 WeakPolarHBondContact CA-O 3.42Å; T1042-K1086 PolarHBondContact OG1-NZ 3.33Å |
| 1043 | V | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.3 | -168.7 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | F808 L811 A1041 I1049 H1076 A1077 C1079 | F808-V1043 HydrophobicContact CD2-CG2 3.88Å; F808-V1043 HydrophobicContact CE2-CG2 4.13Å; L811-V1043 HydrophobicContact CB-CB 3.82Å; L811-V1043 HydrophobicContact CB-CG1 3.78Å; L811-V1043 HydrophobicContact CB-CG2 4.17Å; L811-V1043 HydrophobicContact CD1-CB 4.27Å; A1041-V1043 HydrophobicContact CB-CG1 3.94Å; V1043-I1049 WeakPolarHBondContact CA-O 3.37Å; V1043-H1076 CarbonylContact O-C 3.6Å; V1043-H1076 WeakPolarHBondContact O-CA 3.47Å; V1043-H1076 WeakPolarHBondContact O-CB 3.4Å; V1043-A1077 HydrophobicContact CG2-CB 3.88Å; V1043-A1077 PolarHBondContact N-O 2.82Å; V1043-A1077 PolarHBondContact O-N 3.36Å; V1043-C1079 VanDerWaalsContact CG1-SG 3.52Å |
| 1044 | F | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 108.1 | 176.5 | -66 | -96 | 0 | 0 | 0 | 108 | I853 L1047 K1048 I1049 V1051 W1061 R1075 H1076 | I853-F1044 HydrophobicContact CD1-CD1 4.06Å; I853-F1044 HydrophobicContact CD1-CD2 4.16Å; I853-F1044 HydrophobicContact CD1-CE1 4Å; I853-F1044 HydrophobicContact CD1-CE2 4.09Å; I853-F1044 HydrophobicContact CD1-CG 4.15Å; I853-F1044 HydrophobicContact CD1-CZ 4.01Å; I853-F1044 HydrophobicContact CG2-CE2 4.41Å; I853-F1044 HydrophobicContact CG2-CZ 4.4Å; F1044-L1047 HydrophobicContact CB-CB 4Å; F1044-L1047 HydrophobicContact CB-CD1 4.23Å; F1044-L1047 HydrophobicContact CB-CG 4.49Å; F1044-L1047 PolarHBondContact O-N 3.11Å; F1044-K1048 PolarHBondContact O-N 3.23Å; F1044-I1049 HydrophobicContact CB-CG1 3.95Å; F1044-I1049 HydrophobicContact CD2-CD1 4.35Å; F1044-I1049 HydrophobicContact CD2-CG1 4.12Å; F1044-I1049 HydrophobicContact CG-CG1 4.4Å; F1044-I1049 PolarHBondContact N-O 3.16Å; F1044-I1049 PolarHBondContact O-N 3.37Å; F1044-V1051 HydrophobicContact CE2-CG2 4.38Å; F1044-W1061 AromaticContact CE1-CD2 3.98Å; F1044-W1061 HydrophobicContact CE1-CD2 3.98Å; F1044-W1061 HydrophobicContact CE1-CE3 4.41Å; F1044-W1061 HydrophobicContact CE1-CG 4.2Å; F1044-W1061 AromaticContact CZ-CD2 3.85Å; F1044-W1061 HydrophobicContact CZ-CD2 3.85Å; F1044-W1061 AromaticContact CZ-CE3 3.81Å; F1044-W1061 HydrophobicContact CZ-CE3 3.81Å; F1044-W1061 HydrophobicContact CZ-CG 4.36Å; F1044-W1061 HydrophobicContact CZ-CZ3 4.17Å; F1044-R1075 CarbonylContact C-O 3.24Å; F1044-R1075 VanDerWaalsContact CA-O 3.29Å; F1044-R1075 WeakPolarHBondContact CA-O 3.44Å; F1044-H1076 HydrophobicContact CD1-CB 3.66Å; F1044-H1076 HydrophobicContact CE1-CB 3.76Å; F1044-H1076 HydrophobicContact CG-CB 4.17Å; F1044-H1076 HydrophobicContact CZ-CB 4.33Å |
| 1045 | T | 88 | Confident | 89.5 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -47.4 | -164.9 | 43.5 | 0 | 0 | 0 | 0 | 112.6 | E804 F808 L811 P965 L1047 K1048 R1075 | E804-T1045 WeakPolarHBondContact OE1-CB 3.49Å; E804-T1045 VanDerWaalsContact OE1-CG2 3.3Å; E804-T1045 WeakPolarHBondContact OE1-CG2 3.44Å; E804-T1045 PolarHBondContact OE1-OG1 3.07Å; F808-T1045 HydrophobicContact CB-CG2 4.19Å; L811-T1045 HydrophobicContact CD1-CG2 4.06Å; P965-T1045 HydrophobicContact CB-CG2 4.1Å; P965-T1045 HydrophobicContact CG-CG2 3.84Å; T1045-L1047 VanDerWaalsContact C-N 3.3Å; T1045-L1047 PolarHBondContact O-N 3.21Å; T1045-K1048 VanDerWaalsContact O-CG 3.27Å; T1045-K1048 WeakPolarHBondContact O-CG 3.01Å; T1045-K1048 PolarHBondContact O-N 3.01Å; T1045-R1075 PolarHBondContact N-O 3.28Å; T1045-R1075 VanDerWaalsContact N-O 3.12Å |
| 1046 | E | 86.3 | Confident | 89.8 | Confident | 110 Ų | 110 | 35.8 Ų | 35.8 | 51% | 0.514 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -33.9 | 175.2 | -68.4 | -70.1 | 174 | 0 | 0 | 113.2 | R1075 | E1046-R1075 HydrophobicContact CG-CB 4.13Š|
| 1047 | L | 88.1 | Confident | 90.3 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -14.7 | 179 | -70.1 | 177.6 | 0 | 0 | 0 | 114 | H848 P851 I853 F1044 T1045 I1049 R1073 | H848-L1047 VanDerWaalsContact CE1-CD2 3.46Å; H848-L1047 WeakPolarHBondContact CE1-CD2 3.4Å; P851-L1047 HydrophobicContact CG-CD1 3.96Å; I853-L1047 HydrophobicContact CD1-CD1 3.63Å; F1044-L1047 HydrophobicContact CB-CB 4Å; F1044-L1047 HydrophobicContact CB-CD1 4.23Å; F1044-L1047 HydrophobicContact CB-CG 4.49Å; F1044-L1047 PolarHBondContact O-N 3.11Å; T1045-L1047 VanDerWaalsContact C-N 3.3Å; T1045-L1047 PolarHBondContact O-N 3.21Å; L1047-I1049 VanDerWaalsContact C-N 3.3Å; L1047-I1049 HydrophobicContact CB-CD1 4.3Å; L1047-I1049 HydrophobicContact CB-CG1 3.96Å; L1047-I1049 HydrophobicContact CD1-CD1 4.26Å; L1047-I1049 PolarHBondContact O-N 2.84Å; L1047-R1073 HydrophobicContact CD1-CB 4.42Å; L1047-R1073 WeakPolarHBondContact CD1-O 3.42Å; L1047-R1073 HydrophobicContact CD2-CB 3.88Å; L1047-R1073 HydrophobicContact CD2-CG 4.36Å; L1047-R1073 HydrophobicContact CG-CB 4.04Å; L1047-R1073 WeakPolarHBondContact CG-O 3.46Å |
| 1048 | K | 88.6 | Confident | 91 | Very high | 75 Ų | 75 | 30.3 Ų | 30.3 | 33% | 0.326 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 46.2 | -176.7 | -59.6 | 177.9 | 178.5 | -122.6 | 0 | 112.4 | D807 L811 Y816 F1044 T1045 | D807-K1048 IonicContact OD1-NZ 3.94Å; D807-K1048 PolarHBondContact OD1-NZ 2.66Å; D807-K1048 WeakPolarHBondContact OD2-CE 3.27Å; D807-K1048 IonicContact OD2-NZ 3.19Å; D807-K1048 PolarHBondContact OD2-NZ 2.99Å; L811-K1048 HydrophobicContact CD2-CB 4.42Å; Y816-K1048 HydrophobicContact CD1-CB 3.98Å; Y816-K1048 HydrophobicContact CD1-CD 4.38Å; Y816-K1048 HydrophobicContact CE1-CB 4.2Å; Y816-K1048 HydrophobicContact CE1-CD 3.74Å; Y816-K1048 HydrophobicContact CE1-CG 4.28Å; Y816-K1048 HydrophobicContact CG-CB 4.15Å; Y816-K1048 PolarHBondContact OH-NZ 2.79Å; F1044-K1048 PolarHBondContact O-N 3.23Å; T1045-K1048 VanDerWaalsContact O-CG 3.27Å; T1045-K1048 WeakPolarHBondContact O-CG 3.01Å; T1045-K1048 PolarHBondContact O-N 3.01Å |
| 1049 | I | 89.3 | Confident | 91.5 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.2 | 173.9 | 65 | 175.7 | 0 | 0 | 0 | 112.1 | L818 H848 I853 V1043 F1044 L1047 | L818-I1049 HydrophobicContact CD1-CG2 4.04Å; L818-I1049 HydrophobicContact CD2-CG2 3.81Å; L818-I1049 HydrophobicContact CG-CG2 4.18Å; H848-I1049 HydrophobicContact CB-CD1 3.91Å; I853-I1049 HydrophobicContact CD1-CD1 3.97Å; V1043-I1049 WeakPolarHBondContact CA-O 3.37Å; F1044-I1049 HydrophobicContact CB-CG1 3.95Å; F1044-I1049 HydrophobicContact CD2-CD1 4.35Å; F1044-I1049 HydrophobicContact CD2-CG1 4.12Å; F1044-I1049 HydrophobicContact CG-CG1 4.4Å; F1044-I1049 PolarHBondContact N-O 3.16Å; F1044-I1049 PolarHBondContact O-N 3.37Å; L1047-I1049 VanDerWaalsContact C-N 3.3Å; L1047-I1049 HydrophobicContact CB-CD1 4.3Å; L1047-I1049 HydrophobicContact CB-CG1 3.96Å; L1047-I1049 HydrophobicContact CD1-CD1 4.26Å; L1047-I1049 PolarHBondContact O-N 2.84Å |
| 1050 | G | 89.6 | Confident | 91.9 | Very high | 46 Ų | 46 | 28.6 Ų | 28.6 | 47% | 0.474 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 1051 | V | 91.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 5% | 0.048 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 110.4 | 170.2 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | V847 L855 Y1032 T1042 F1044 V1059 | V847-V1051 HydrophobicContact CG2-CG2 4.26Å; L855-V1051 HydrophobicContact CD1-CG1 4.36Å; L855-V1051 HydrophobicContact CD2-CG1 4.37Å; Y1032-V1051 HydrophobicContact CE2-CG1 4.23Å; Y1032-V1051 PolarHBondContact OH-O 2.73Å; T1042-V1051 PolarHBondContact N-O 2.84Å; T1042-V1051 PolarHBondContact O-N 3.13Å; F1044-V1051 HydrophobicContact CE2-CG2 4.38Å; V1051-V1059 HydrophobicContact CG1-CB 4.39Å; V1051-V1059 HydrophobicContact CG1-CG2 4.43Å; V1051-V1059 HydrophobicContact CG2-CG2 4.4Å |
| 1052 | S | 91.1 | Very high | 92.3 | Very high | 81 Ų | 81 | 30 Ų | 30 | 57% | 0.566 | 16% | 0.161 | S | C | * | . | trans | -70.7 | 138.2 | 176.5 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | T1054 | S1052-T1054 PolarHBondContact O-N 3.02Š| ||
| 1053 | P | 91.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 5% | 0.045 | 16% | 0.16 | C | C | . | . | trans | -61.6 | 130.4 | 174.3 | 26.6 | -35.6 | 0 | 0 | 0 | 110.7 | Y1032 Q1035 P1036 | Y1032-P1053 HydrophobicContact CD1-CB 3.48Å; Y1032-P1053 VanDerWaalsContact CD1-CB 3.48Å; Y1032-P1053 HydrophobicContact CE1-CB 3.7Å; Y1032-P1053 HydrophobicContact CG-CB 3.97Å; Q1035-P1053 WeakPolarHBondContact CG-O 3.32Å; P1036-P1053 VanDerWaalsContact CD-CG 3.48Å; P1036-P1053 HydrophobicContact CG-CB 4.45Å; P1036-P1053 HydrophobicContact CG-CG 3.56Å | ||
| 1054 | T | 94 | Very high | 91.8 | Very high | 43 Ų | 43 | 30 Ų | 30 | 26% | 0.264 | 16% | 0.161 | S | C | . | . | trans | -129.5 | 124.5 | 173.2 | -59.4 | 0 | 0 | 0 | 0 | 107.5 | Y1032 S1052 R1056 D1057 | Y1032-T1054 VanDerWaalsContact CB-O 3.24Å; Y1032-T1054 WeakPolarHBondContact CB-O 3.21Å; S1052-T1054 PolarHBondContact O-N 3.02Å; T1054-R1056 PolarHBondContact O-N 3.01Å; T1054-D1057 VanDerWaalsContact CB-OD2 3.3Å; T1054-D1057 WeakPolarHBondContact CB-OD2 3.38Å; T1054-D1057 VanDerWaalsContact CG2-OD2 3.29Å; T1054-D1057 WeakPolarHBondContact CG2-OD2 3.35Å; T1054-D1057 WeakPolarHBondContact O-CB 3.33Å; T1054-D1057 PolarHBondContact O-N 3.25Å; T1054-D1057 VanDerWaalsContact O-N 3.17Å | ||
| 1055 | K | 93.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 31.2 Ų | 31.2 | 34% | 0.335 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 137 | -173.2 | -168.3 | -166.3 | -174.9 | -162.4 | 0 | 109.7 | D862 I865 Q1035 D1057 | D862-K1055 VanDerWaalsContact CG-NZ 3.28Å; D862-K1055 VanDerWaalsContact OD1-CE 3.28Å; D862-K1055 WeakPolarHBondContact OD1-CE 3.16Å; D862-K1055 IonicContact OD1-NZ 2.82Å; D862-K1055 PolarHBondContact OD1-NZ 3.48Å; D862-K1055 IonicContact OD2-NZ 3.53Å; I865-K1055 HydrophobicContact CD1-CG 4.1Å; Q1035-K1055 HydrophobicContact CB-CB 4.12Å; K1055-D1057 VanDerWaalsContact C-N 3.29Å; K1055-D1057 PolarHBondContact O-N 3.04Å |
| 1056 | R | 95.5 | Very high | 91.2 | Very high | 88 Ų | 88 | 34.8 Ų | 34.8 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -8.6 | -178.2 | -49.8 | -173.7 | -166.9 | 143.2 | -2.2 | 116.4 | D858 V859 I860 D862 I865 Y1032 T1054 | D858-R1056 IonicContact OD1-NH1 3.62Å; V859-R1056 WeakPolarHBondContact CG2-O 3.48Å; V859-R1056 PolarHBondContact N-O 2.78Å; I860-R1056 HydrophobicContact CG2-CB 4.46Å; I860-R1056 PolarHBondContact N-O 3.15Å; I860-R1056 WeakPolarHBondContact O-CB 3.12Å; I860-R1056 WeakPolarHBondContact O-CD 3.49Å; I860-R1056 WeakPolarHBondContact O-CG 3.37Å; D862-R1056 IonicContact OD1-CZ 2.75Å; D862-R1056 IonicContact OD1-NE 3.47Å; D862-R1056 PolarHBondContact OD1-NE 2.78Å; D862-R1056 IonicContact OD1-NH2 2.77Å; D862-R1056 PolarHBondContact OD1-NH2 2.75Å; D862-R1056 IonicContact OD2-CZ 3.33Å; D862-R1056 IonicContact OD2-NE 2.78Å; D862-R1056 IonicContact OD2-NH2 3.24Å; D862-R1056 PolarHBondContact OD2-NH2 3.23Å; I865-R1056 HydrophobicContact CD1-CG 4.05Å; Y1032-R1056 PolarHBondContact O-N 2.99Å; T1054-R1056 PolarHBondContact O-N 3.01Å |
| 1057 | D | 96.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | trans | -85.7 | 162.5 | 178.4 | -67.1 | -8.5 | 0 | 0 | 0 | 111.7 | L855 F856 R857 D858 F1031 Y1032 T1054 K1055 | L855-D1057 HydrophobicContact CD1-CB 4.06Å; F856-D1057 CarbonylContact O-C 3.48Å; F856-D1057 VanDerWaalsContact O-CA 3.29Å; F856-D1057 WeakPolarHBondContact O-CA 3.4Å; F856-D1057 WeakPolarHBondContact O-CB 3.43Å; R857-D1057 WeakPolarHBondContact CA-OD1 3.39Å; R857-D1057 VanDerWaalsContact CD-CG 3.49Å; R857-D1057 WeakPolarHBondContact CD-OD2 3.36Å; R857-D1057 IonicContact CZ-OD2 3.48Å; R857-D1057 IonicContact NE-OD2 2.92Å; R857-D1057 IonicContact NH1-OD2 2.66Å; R857-D1057 PolarHBondContact NH1-OD2 3.49Å; D858-D1057 PolarHBondContact N-OD1 2.82Å; F1031-D1057 WeakPolarHBondContact CA-O 3.46Å; Y1032-D1057 HydrophobicContact CD2-CB 4.42Å; Y1032-D1057 PolarHBondContact N-O 2.76Å; T1054-D1057 VanDerWaalsContact CB-OD2 3.3Å; T1054-D1057 WeakPolarHBondContact CB-OD2 3.38Å; T1054-D1057 VanDerWaalsContact CG2-OD2 3.29Å; T1054-D1057 WeakPolarHBondContact CG2-OD2 3.35Å; T1054-D1057 WeakPolarHBondContact O-CB 3.33Å; T1054-D1057 PolarHBondContact O-N 3.25Å; T1054-D1057 VanDerWaalsContact O-N 3.17Å; K1055-D1057 VanDerWaalsContact C-N 3.29Å; K1055-D1057 PolarHBondContact O-N 3.04Å | ||
| 1058 | A | 96.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | F856 V859 M941 L1029 M1030 F1031 | F856-A1058 PolarHBondContact N-O 3.27Å; F856-A1058 PolarHBondContact O-N 3.04Å; V859-A1058 HydrophobicContact CG2-CB 3.69Å; M941-A1058 HydrophobicContact CE-CB 4.04Å; L1029-A1058 HydrophobicContact CD2-CB 3.88Å; L1029-A1058 HydrophobicContact CG-CB 4.36Å; M1030-A1058 CarbonylContact O-C 3.58Å; M1030-A1058 VanDerWaalsContact O-CA 3.23Å; M1030-A1058 WeakPolarHBondContact O-CA 3.46Å; F1031-A1058 HydrophobicContact CB-CB 4.47Å; F1031-A1058 HydrophobicContact CD1-CB 3.66Å; F1031-A1058 HydrophobicContact CE1-CB 4.02Å; F1031-A1058 HydrophobicContact CG-CB 4.01Å |
| 1059 | V | 95.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.2 | 173.2 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | I853 L854 L855 M1030 Y1032 V1051 W1061 | I853-V1059 HydrophobicContact CG2-CG2 3.9Å; L854-V1059 CarbonylContact O-C 3.51Å; L854-V1059 WeakPolarHBondContact O-CA 3.43Å; L855-V1059 HydrophobicContact CD1-CB 4.28Å; M1030-V1059 HydrophobicContact CB-CG1 4.24Å; M1030-V1059 HydrophobicContact CE-CG1 3.33Å; M1030-V1059 PolarHBondContact N-O 2.76Å; M1030-V1059 PolarHBondContact O-N 3.25Å; Y1032-V1059 HydrophobicContact CE2-CB 4.41Å; Y1032-V1059 HydrophobicContact CE2-CG1 3.91Å; V1051-V1059 HydrophobicContact CG1-CB 4.39Å; V1051-V1059 HydrophobicContact CG1-CG2 4.43Å; V1051-V1059 HydrophobicContact CG2-CG2 4.4Å; V1059-W1061 HydrophobicContact CG1-CZ3 4.1Å; V1059-W1061 HydrophobicContact CG2-CE3 4.07Å; V1059-W1061 HydrophobicContact CG2-CZ3 4.16Å |
| 1060 | F | 96.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 137 | -174.9 | 168.7 | -103.1 | 0 | 0 | 0 | 111.4 | I853 L854 F856 T942 L944 A1027 T1028 L1029 H1062 | I853-F1060 WeakPolarHBondContact CA-O 3.27Å; L854-F1060 HydrophobicContact CB-CD1 4.39Å; L854-F1060 HydrophobicContact CD1-CD1 4.16Å; L854-F1060 HydrophobicContact CG-CD1 4.44Å; L854-F1060 PolarHBondContact N-O 3.32Å; L854-F1060 PolarHBondContact O-N 3.4Å; F856-F1060 HydrophobicContact CD2-CB 4.2Å; F856-F1060 HydrophobicContact CE2-CB 3.67Å; F856-F1060 HydrophobicContact CE2-CD1 4.25Å; F856-F1060 HydrophobicContact CE2-CG 4.09Å; T942-F1060 HydrophobicContact CG2-CD2 3.6Å; T942-F1060 HydrophobicContact CG2-CE2 3.38Å; T942-F1060 HydrophobicContact CG2-CG 4.3Å; T942-F1060 HydrophobicContact CG2-CZ 3.94Å; L944-F1060 HydrophobicContact CD1-CE2 4.36Å; L944-F1060 HydrophobicContact CD1-CZ 4.29Å; A1027-F1060 HydrophobicContact CB-CE2 3.68Å; A1027-F1060 HydrophobicContact CB-CZ 4.12Å; T1028-F1060 WeakPolarHBondContact O-CA 3.36Å; T1028-F1060 VanDerWaalsContact O-CD2 3.31Å; T1028-F1060 WeakPolarHBondContact O-CD2 3.23Å; L1029-F1060 HydrophobicContact CB-CD2 4.07Å; L1029-F1060 HydrophobicContact CD1-CB 3.96Å; L1029-F1060 HydrophobicContact CD1-CD2 4.07Å; L1029-F1060 HydrophobicContact CD1-CG 4.31Å; L1029-F1060 HydrophobicContact CG-CB 4.28Å; L1029-F1060 HydrophobicContact CG-CD2 4.47Å; F1060-H1062 AromaticContact CE1-CE1 3.79Å; F1060-H1062 AromaticContact CZ-CE1 3.8Å; F1060-H1062 AromaticContact CZ-NE2 3.86Å |
| 1061 | W | 95.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.1 | 172.7 | 65 | 94.9 | 0 | 0 | 0 | 110.7 | I853 A1027 T1028 F1044 V1059 N1063 H1076 | I853-W1061 HydrophobicContact CG1-CB 3.96Å; I853-W1061 HydrophobicContact CG2-CB 4.45Å; A1027-W1061 WeakPolarHBondContact CA-O 3.42Å; A1027-W1061 WeakPolarHBondContact CB-O 3.4Å; T1028-W1061 HydrophobicContact CG2-CH2 3.6Å; T1028-W1061 HydrophobicContact CG2-CZ2 3.57Å; T1028-W1061 HydrophobicContact CG2-CZ3 4.34Å; T1028-W1061 PolarHBondContact N-O 2.94Å; T1028-W1061 PolarHBondContact O-N 3.35Å; F1044-W1061 AromaticContact CE1-CD2 3.98Å; F1044-W1061 HydrophobicContact CE1-CD2 3.98Å; F1044-W1061 HydrophobicContact CE1-CE3 4.41Å; F1044-W1061 HydrophobicContact CE1-CG 4.2Å; F1044-W1061 AromaticContact CZ-CD2 3.85Å; F1044-W1061 HydrophobicContact CZ-CD2 3.85Å; F1044-W1061 AromaticContact CZ-CE3 3.81Å; F1044-W1061 HydrophobicContact CZ-CE3 3.81Å; F1044-W1061 HydrophobicContact CZ-CG 4.36Å; F1044-W1061 HydrophobicContact CZ-CZ3 4.17Å; V1059-W1061 HydrophobicContact CG1-CZ3 4.1Å; V1059-W1061 HydrophobicContact CG2-CE3 4.07Å; V1059-W1061 HydrophobicContact CG2-CZ3 4.16Å; W1061-N1063 PolarHBondContact NE1-OD1 2.82Å; W1061-H1076 AromaticContact CZ2-CE1 3.56Å; W1061-H1076 AromaticContact CZ2-ND1 3.87Å; W1061-H1076 AromaticContact CZ2-NE2 3.68Å |
| 1062 | H | 92.8 | Very high | 88.8 | Confident | 38 Ų | 38 | 33.5 Ų | 33.5 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126.8 | 169.6 | -63.6 | 93.6 | 0 | 0 | 0 | 109 | I1026 F1060 L1064 T1074 R1102 | I1026-H1062 CarbonylContact O-C 3.43Å; I1026-H1062 WeakPolarHBondContact O-CA 3.47Å; F1060-H1062 AromaticContact CE1-CE1 3.79Å; F1060-H1062 AromaticContact CZ-CE1 3.8Å; F1060-H1062 AromaticContact CZ-NE2 3.86Å; H1062-L1064 VanDerWaalsContact C-N 3.29Å; H1062-T1074 WeakPolarHBondContact O-CG2 3.35Å; H1062-R1102 PolarHBondContact CD2-NE 2.95Å; H1062-R1102 PolarHBondContact NE2-NE 2.64Å |
| 1063 | N | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -76.5 | -21.9 | 176.1 | -54.5 | -52.3 | 0 | 0 | 0 | 112.1 | H969 R1025 I1026 A1027 T1028 W1061 D1071 | H969-N1063 HydrophobicContact CB-CB 4.03Å; H969-N1063 PolarHBondContact ND1-O 3.01Å; R1025-N1063 VanDerWaalsContact O-CB 3.31Å; R1025-N1063 WeakPolarHBondContact O-CB 3.36Å; R1025-N1063 PolarHBondContact O-ND2 2.89Å; I1026-N1063 PolarHBondContact O-N 2.9Å; A1027-N1063 VanDerWaalsContact C-ND2 3.34Å; T1028-N1063 PolarHBondContact OG1-ND2 2.89Å; T1028-N1063 PolarHBondContact OG1-OD1 3.36Å; W1061-N1063 PolarHBondContact NE1-OD1 2.82Å; N1063-D1071 PolarHBondContact O-N 3.47Å |
| 1064 | L | 87 | Confident | 88.5 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -112.9 | 147.4 | -176.9 | -52.7 | 179.9 | 0 | 0 | 0 | 111.2 | H969 N1024 I1026 H1062 E1069 E1095 R1102 | H969-L1064 HydrophobicContact CB-CD2 3.59Å; N1024-L1064 HydrophobicContact CB-CD1 3.94Å; I1026-L1064 HydrophobicContact CB-CD1 4.22Å; I1026-L1064 HydrophobicContact CG1-CB 4.47Å; I1026-L1064 HydrophobicContact CG1-CD1 4.21Å; I1026-L1064 PolarHBondContact O-N 2.87Å; H1062-L1064 VanDerWaalsContact C-N 3.29Å; L1064-E1069 CarbonylContact C-O 3.59Å; L1064-E1069 WeakPolarHBondContact CA-O 3.33Å; L1064-E1095 HydrophobicContact CD1-CG 3.64Å; L1064-E1095 WeakPolarHBondContact CD1-OE1 3.14Å; L1064-R1102 PolarHBondContact O-NH2 2.98Å |
| 1065 | L | 84.6 | Confident | 88.2 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.131 | 16% | 0.159 | C | C | . | . | trans | -63.9 | -179.9 | 167.5 | -62.9 | 174.9 | 0 | 0 | 0 | 111 | N1067 E1069 D1071 R1102 E1108 | L1065-N1067 VanDerWaalsContact C-N 3.33Å; L1065-N1067 WeakPolarHBondContact CB-OD1 3.48Å; L1065-E1069 WeakPolarHBondContact CB-O 3.29Å; L1065-E1069 PolarHBondContact N-O 3.34Å; L1065-E1069 HydrophobicContact CD1-CB 4.14Å; L1065-D1071 HydrophobicContact CD2-CB 3.85Å; L1065-D1071 VanDerWaalsContact CD2-OD2 3.32Å; L1065-D1071 WeakPolarHBondContact CD2-OD2 3.3Å; L1065-D1071 HydrophobicContact CG-CB 4.07Å; L1065-R1102 PolarHBondContact O-NH1 2.81Å; L1065-E1108 HydrophobicContact CD1-CG 4.02Å; L1065-E1108 HydrophobicContact CD2-CG 4.11Å | ||
| 1066 | R | 82.4 | Confident | 88 | Confident | 79 Ų | 79 | 30.3 Ų | 30.3 | 30% | 0.298 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -16.8 | 175.4 | -82.6 | -168.9 | 176.7 | -93 | 11.7 | 114 | P1103 C1104 A1105 Y1111 | R1066-P1103 PolarHBondContact NH1-O 3.11Å; R1066-C1104 CarbonylContact O-C 3.45Å; R1066-C1104 WeakPolarHBondContact O-CA 3.47Å; R1066-C1104 VanDerWaalsContact O-CB 3.26Å; R1066-C1104 WeakPolarHBondContact O-CB 3.42Å; R1066-A1105 PolarHBondContact O-N 3.15Å; R1066-A1105 HydrophobicContact CB-CB 3.7Å; R1066-Y1111 VanDerWaalsContact CD-CD2 3.47Å; R1066-Y1111 VanDerWaalsContact CZ-CE2 3.49Å; R1066-Y1111 VanDerWaalsContact NE-CD2 3.26Å |
| 1067 | N | 77.6 | Confident | 87.7 | Confident | 61 Ų | 61 | 26.1 Ų | 26.1 | 33% | 0.326 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -0.4 | 174.2 | 62.5 | -28 | 0 | 0 | 0 | 113.5 | L1065 A1105 | L1065-N1067 VanDerWaalsContact C-N 3.33Å; L1065-N1067 WeakPolarHBondContact CB-OD1 3.48Å; N1067-A1105 WeakPolarHBondContact CA-O 3.24Å |
| 1068 | G | 77.3 | Confident | 87.3 | Confident | 15 Ų | 15 | 26.3 Ų | 26.3 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 92.6 | -10.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1069 | E | 77.9 | Confident | 87 | Confident | 60 Ų | 60 | 26.3 Ų | 26.3 | 28% | 0.28 | 13% | 0.133 | S | C | . | . | trans | -71 | 150.6 | 176.1 | -68.9 | -61.7 | 159.9 | 0 | 0 | 112.3 | A973 Y975 L1064 L1065 D1071 | A973-E1069 WeakPolarHBondContact CB-OE1 3.17Å; Y975-E1069 PolarHBondContact OH-OE1 3.18Å; L1064-E1069 CarbonylContact C-O 3.59Å; L1064-E1069 WeakPolarHBondContact CA-O 3.33Å; L1065-E1069 WeakPolarHBondContact CB-O 3.29Å; L1065-E1069 PolarHBondContact N-O 3.34Å; L1065-E1069 HydrophobicContact CD1-CB 4.14Å; E1069-D1071 PolarHBondContact O-N 2.81Å | ||
| 1070 | G | 78 | Confident | 86.6 | Confident | 18 Ų | 18 | 26.3 Ų | 26.3 | 19% | 0.186 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -67.4 | 124.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1072 | G1070-V1072 PolarHBondContact O-N 3.38Å; G1070-V1072 VanDerWaalsContact O-N 3.12Å |
| 1071 | D | 85.7 | Confident | 86 | Confident | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | trans | -80.3 | 96.1 | 175.9 | -167.6 | -28.6 | 0 | 0 | 0 | 109.6 | H969 N1063 L1065 E1069 R1073 T1074 | H969-D1071 PolarHBondContact CE1-O 3.03Å; N1063-D1071 PolarHBondContact O-N 3.47Å; L1065-D1071 HydrophobicContact CD2-CB 3.85Å; L1065-D1071 VanDerWaalsContact CD2-OD2 3.32Å; L1065-D1071 WeakPolarHBondContact CD2-OD2 3.3Å; L1065-D1071 HydrophobicContact CG-CB 4.07Å; E1069-D1071 PolarHBondContact O-N 2.81Å; D1071-R1073 PolarHBondContact O-N 3.17Å; D1071-R1073 PolarHBondContact OD2-NH2 3.28Å; D1071-R1073 IonicContact OD2-NH2 3.25Å; D1071-R1073 PolarHBondContact OD2-NE 3.15Å; D1071-R1073 IonicContact OD2-NE 3.23Å; D1071-R1073 IonicContact OD2-CZ 3.71Å; D1071-R1073 PolarHBondContact OD1-NH2 3.36Å; D1071-R1073 IonicContact OD1-NH2 2.87Å; D1071-R1073 IonicContact OD1-NE 3.47Å; D1071-R1073 PolarHBondContact OD1-N 2.87Å; D1071-R1073 IonicContact OD1-CZ 3.94Å; D1071-R1073 WeakPolarHBondContact OD1-CG 3.39Å; D1071-R1073 WeakPolarHBondContact OD1-CB 3.05Å; D1071-R1073 VanDerWaalsContact CG-NH2 3.34Å; D1071-R1073 PolarHBondContact OD1-NE 3.41Å; D1071-T1074 WeakPolarHBondContact O-CB 3.5Å; D1071-T1074 PolarHBondContact O-OG1 2.85Å; D1071-T1074 PolarHBondContact O-N 3.1Å; D1071-T1074 HydrophobicContact CB-CG2 4Å | ||
| 1072 | V | 84.6 | Confident | 85.4 | Confident | 88 Ų | 88 | 26.3 Ų | 26.3 | 53% | 0.533 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -55.6 | -21.6 | -179.4 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | F967 G1070 T1074 R1075 | F967-V1072 HydrophobicContact CE1-CB 4.48Å; F967-V1072 WeakPolarHBondContact CE1-O 3.29Å; F967-V1072 HydrophobicContact CZ-CB 4.48Å; G1070-V1072 PolarHBondContact O-N 3.38Å; G1070-V1072 VanDerWaalsContact O-N 3.12Å; V1072-T1074 PolarHBondContact O-N 3.2Å; V1072-R1075 PolarHBondContact O-N 3.1Å |
| 1073 | R | 87.4 | Confident | 84.6 | Confident | 79 Ų | 79 | 24.6 Ų | 24.6 | 30% | 0.298 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | -69.3 | -10.7 | 175.7 | -56.5 | 166.2 | -70.8 | -132.8 | 4.4 | 112.5 | P851 L1047 D1071 R1075 E1108 | P851-R1073 HydrophobicContact CG-CB 4.15Å; L1047-R1073 HydrophobicContact CD1-CB 4.42Å; L1047-R1073 WeakPolarHBondContact CD1-O 3.42Å; L1047-R1073 HydrophobicContact CD2-CB 3.88Å; L1047-R1073 HydrophobicContact CD2-CG 4.36Å; L1047-R1073 HydrophobicContact CG-CB 4.04Å; L1047-R1073 WeakPolarHBondContact CG-O 3.46Å; D1071-R1073 PolarHBondContact O-N 3.17Å; D1071-R1073 PolarHBondContact OD2-NH2 3.28Å; D1071-R1073 IonicContact OD2-NH2 3.25Å; D1071-R1073 PolarHBondContact OD2-NE 3.15Å; D1071-R1073 IonicContact OD2-NE 3.23Å; D1071-R1073 IonicContact OD2-CZ 3.71Å; D1071-R1073 PolarHBondContact OD1-NH2 3.36Å; D1071-R1073 IonicContact OD1-NH2 2.87Å; D1071-R1073 IonicContact OD1-NE 3.47Å; D1071-R1073 PolarHBondContact OD1-N 2.87Å; D1071-R1073 IonicContact OD1-CZ 3.94Å; D1071-R1073 WeakPolarHBondContact OD1-CG 3.39Å; D1071-R1073 WeakPolarHBondContact OD1-CB 3.05Å; D1071-R1073 VanDerWaalsContact CG-NH2 3.34Å; D1071-R1073 PolarHBondContact OD1-NE 3.41Å; R1073-R1075 VanDerWaalsContact C-N 3.32Å; R1073-E1108 IonicContact CZ-OE1 2.72Å; R1073-E1108 PolarHBondContact NH2-OE1 3.49Å; R1073-E1108 IonicContact NH2-OE1 3.23Å; R1073-E1108 IonicContact NH1-OE1 2.85Å; R1073-E1108 PolarHBondContact NH1-OE1 2.78Å |
| 1074 | T | 89.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -89.6 | 9.4 | 177.5 | 66.5 | 0 | 0 | 0 | 0 | 113.9 | P851 H1062 D1071 V1072 H1076 | P851-T1074 HydrophobicContact CB-CG2 4.5Å; P851-T1074 HydrophobicContact CG-CG2 4.11Å; H1062-T1074 WeakPolarHBondContact O-CG2 3.35Å; D1071-T1074 WeakPolarHBondContact O-CB 3.5Å; D1071-T1074 PolarHBondContact O-OG1 2.85Å; D1071-T1074 PolarHBondContact O-N 3.1Å; D1071-T1074 HydrophobicContact CB-CG2 4Å; V1072-T1074 PolarHBondContact O-N 3.2Å; T1074-H1076 PolarHBondContact O-N 2.79Å; T1074-H1076 PolarHBondContact O-ND1 3.49Å |
| 1075 | R | 87.8 | Confident | 83.1 | Confident | 47 Ų | 47 | 26 Ų | 26 | 18% | 0.177 | 13% | 0.134 | C | C | . | . | trans | -57.9 | 121.7 | 169.5 | -160.9 | 179.7 | -178.2 | -179.6 | -2.7 | 109 | E804 P965 H966 F967 F1044 T1045 E1046 V1072 R1073 | E804-R1075 WeakPolarHBondContact OE1-CD 3.33Å; E804-R1075 IonicContact OE1-CZ 2.71Å; E804-R1075 IonicContact OE1-NE 3.47Å; E804-R1075 PolarHBondContact OE1-NE 2.91Å; E804-R1075 IonicContact OE1-NH1 3.9Å; E804-R1075 PolarHBondContact OE1-NH1 2.93Å; E804-R1075 IonicContact OE2-CZ 3.12Å; E804-R1075 IonicContact OE2-NE 3.45Å; E804-R1075 IonicContact OE2-NH1 3.43Å; E804-R1075 PolarHBondContact OE2-NH1 2.89Å; P965-R1075 HydrophobicContact CB-CG 4.29Å; P965-R1075 PolarHBondContact O-NE 2.85Å; P965-R1075 VanDerWaalsContact O-NE 3.08Å; P965-R1075 PolarHBondContact O-NH2 3.48Å; H966-R1075 WeakPolarHBondContact O-CA 3.39Å; H966-R1075 WeakPolarHBondContact O-CG 3.45Å; F967-R1075 HydrophobicContact CD1-CB 4.14Å; F967-R1075 HydrophobicContact CD1-CG 4.43Å; F967-R1075 HydrophobicContact CE1-CB 3.44Å; F967-R1075 VanDerWaalsContact CE1-CB 3.44Å; F967-R1075 HydrophobicContact CE1-CG 3.96Å; F967-R1075 HydrophobicContact CE2-CB 4.39Å; F967-R1075 HydrophobicContact CE2-CG 4.08Å; F967-R1075 HydrophobicContact CZ-CB 3.59Å; F967-R1075 HydrophobicContact CZ-CG 3.77Å; F1044-R1075 CarbonylContact C-O 3.24Å; F1044-R1075 VanDerWaalsContact CA-O 3.29Å; F1044-R1075 WeakPolarHBondContact CA-O 3.44Å; T1045-R1075 PolarHBondContact N-O 3.28Å; T1045-R1075 VanDerWaalsContact N-O 3.12Å; E1046-R1075 HydrophobicContact CG-CB 4.13Å; V1072-R1075 PolarHBondContact O-N 3.1Å; R1073-R1075 VanDerWaalsContact C-N 3.32Å | ||
| 1076 | H | 89.9 | Confident | 83.1 | Confident | 14 Ų | 14 | 24.9 Ų | 24.9 | 7% | 0.065 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 158.7 | -172.8 | 72.1 | -80.7 | 0 | 0 | 0 | 112.7 | P965 H966 D968 V1043 F1044 W1061 T1074 | P965-H1076 CarbonylContact C-O 3.59Å; P965-H1076 WeakPolarHBondContact CA-O 3.4Å; H966-H1076 AromaticContact CE1-NE2 3.88Å; H966-H1076 PolarHBondContact N-O 3.25Å; H966-H1076 PolarHBondContact ND1-O 3.08Å; H966-H1076 AromaticContact NE2-CE1 3.99Å; H966-H1076 AromaticContact NE2-NE2 3.65Å; H966-H1076 PolarHBondContact O-N 3.18Å; D968-H1076 IonicContact OD2-CE1 2.73Å; D968-H1076 IonicContact OD2-NE2 2.63Å; V1043-H1076 CarbonylContact O-C 3.6Å; V1043-H1076 WeakPolarHBondContact O-CA 3.47Å; V1043-H1076 WeakPolarHBondContact O-CB 3.4Å; F1044-H1076 HydrophobicContact CD1-CB 3.66Å; F1044-H1076 HydrophobicContact CE1-CB 3.76Å; F1044-H1076 HydrophobicContact CG-CB 4.17Å; F1044-H1076 HydrophobicContact CZ-CB 4.33Å; W1061-H1076 AromaticContact CZ2-CE1 3.56Å; W1061-H1076 AromaticContact CZ2-ND1 3.87Å; W1061-H1076 AromaticContact CZ2-NE2 3.68Å; T1074-H1076 PolarHBondContact O-N 2.79Å; T1074-H1076 PolarHBondContact O-ND1 3.49Å |
| 1077 | A | 88.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 156.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F808 Y963 P965 T1042 V1043 | F808-A1077 HydrophobicContact CD2-CB 3.63Å; F808-A1077 HydrophobicContact CE2-CB 3.39Å; F808-A1077 HydrophobicContact CZ-CB 4.43Å; Y963-A1077 CarbonylContact O-C 3.59Å; Y963-A1077 WeakPolarHBondContact O-CA 3.25Å; Y963-A1077 WeakPolarHBondContact O-CB 3.36Å; P965-A1077 HydrophobicContact CB-CB 4.2Å; P965-A1077 HydrophobicContact CG-CB 3.81Å; T1042-A1077 CarbonylContact C-O 3.56Å; T1042-A1077 WeakPolarHBondContact CA-O 3.42Å; V1043-A1077 HydrophobicContact CG2-CB 3.88Å; V1043-A1077 PolarHBondContact N-O 2.82Å; V1043-A1077 PolarHBondContact O-N 3.36Å |
| 1078 | A | 88.6 | Confident | 84.2 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 6% | 0.058 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 111.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y957 H962 Y963 | Y957-A1078 HydrophobicContact CE1-CB 4.26Å; H962-A1078 WeakPolarHBondContact CA-O 3.24Å; H962-A1078 VanDerWaalsContact CB-O 3.3Å; H962-A1078 WeakPolarHBondContact CB-O 3.29Å; Y963-A1078 PolarHBondContact N-O 3.31Å; Y963-A1078 PolarHBondContact O-N 3.25Å |
| 1079 | C | 90.8 | Very high | 85 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 151.4 | 174 | -68.1 | 0 | 0 | 0 | 0 | 111.3 | C812 A1041 V1043 | C812-C1079 WeakPolarHBondContact CA-SG 3.47Å; C812-C1079 HydrophobicContact CB-CB 3.75Å; C812-C1079 WeakPolarHBondContact CB-SG 3.22Å; C812-C1079 VanDerWaalsContact SG-CA 3.58Å; C812-C1079 WeakPolarHBondContact SG-CB 3.47Å; C812-C1079 CovalentContact SG-SG 2.03Å; C812-C1079 PolarHBondContact SG-SG 2.95Å; A1041-C1079 HydrophobicContact CB-CB 4.37Å; A1041-C1079 WeakPolarHBondContact O-CB 3.48Å; A1041-C1079 PolarHBondContact O-N 2.67Å; V1043-C1079 VanDerWaalsContact CG1-SG 3.52Å |
| 1080 | P | 87 | Confident | 85.7 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 141 | 172.2 | -21 | 31.4 | 0 | 0 | 0 | 111.7 | L661 V664 Y665 G961 H962 G1040 L1082 | L661-P1080 HydrophobicContact CD2-CB 3.62Å; V664-P1080 HydrophobicContact CB-CG 4.27Å; V664-P1080 HydrophobicContact CG1-CG 4.13Å; V664-P1080 HydrophobicContact CG2-CG 4.05Å; Y665-P1080 HydrophobicContact CE2-CB 4.3Å; Y665-P1080 PolarHBondContact OH-O 2.75Å; Y665-P1080 VanDerWaalsContact OH-O 3.12Å; G961-P1080 WeakPolarHBondContact O-CA 3.37Å; H962-P1080 HydrophobicContact CB-CB 4.32Å; H962-P1080 HydrophobicContact CB-CG 3.96Å; G1040-P1080 PolarHBondContact N-O 3.08Å; P1080-L1082 PolarHBondContact O-N 2.95Å |
| 1081 | V | 84.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 118.7 | 169.9 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | L661 G960 G961 P1036 A1083 G1084 K1086 | L661-V1081 WeakPolarHBondContact CD2-O 3.23Å; G960-V1081 PolarHBondContact N-O 2.89Å; G961-V1081 PolarHBondContact O-N 2.75Å; P1036-V1081 HydrophobicContact CB-CG1 3.66Å; P1036-V1081 HydrophobicContact CG-CG1 4.46Å; V1081-A1083 WeakPolarHBondContact CG1-O 3.41Å; V1081-G1084 VanDerWaalsContact CG1-O 3.23Å; V1081-G1084 WeakPolarHBondContact CG1-O 3.38Å; V1081-K1086 HydrophobicContact CG2-CB 3.52Å |
| 1082 | L | 82.6 | Confident | 86.7 | Confident | 11 Ų | 11 | 15.4 Ų | 15.4 | 6% | 0.058 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -40.6 | -176.4 | 178.9 | 60.7 | 0 | 0 | 0 | 111.4 | P86 L661 Y665 L667 I677 I680 A1038 P1080 | P86-L1082 VanDerWaalsContact CD-O 3.23Å; P86-L1082 WeakPolarHBondContact CD-O 3.45Å; P86-L1082 VanDerWaalsContact CG-O 3.31Å; P86-L1082 WeakPolarHBondContact CG-O 3.36Å; L661-L1082 HydrophobicContact CB-CD1 4.23Å; L661-L1082 HydrophobicContact CD1-CD1 4.32Å; L661-L1082 HydrophobicContact CD2-CB 4.48Å; L661-L1082 HydrophobicContact CD2-CD1 4.11Å; L661-L1082 HydrophobicContact CG-CD1 4.45Å; Y665-L1082 HydrophobicContact CD1-CD2 3.96Å; Y665-L1082 HydrophobicContact CD2-CB 4.31Å; Y665-L1082 HydrophobicContact CD2-CD1 4.04Å; Y665-L1082 HydrophobicContact CD2-CD2 4.23Å; Y665-L1082 HydrophobicContact CD2-CG 4.44Å; Y665-L1082 HydrophobicContact CE1-CD2 4.25Å; Y665-L1082 HydrophobicContact CE2-CB 3.99Å; Y665-L1082 HydrophobicContact CG-CD1 4.37Å; Y665-L1082 HydrophobicContact CG-CD2 3.97Å; L667-L1082 HydrophobicContact CD1-CD1 3.8Å; I677-L1082 HydrophobicContact CG2-CD1 3.97Å; I677-L1082 HydrophobicContact CG2-CD2 3.92Å; I677-L1082 HydrophobicContact CG2-CG 4.05Å; I680-L1082 HydrophobicContact CD1-CG 4.33Å; A1038-L1082 HydrophobicContact CB-CB 4Å; A1038-L1082 HydrophobicContact CB-CD2 4.14Å; A1038-L1082 HydrophobicContact CB-CG 4.16Å; A1038-L1082 PolarHBondContact O-N 3.18Å; P1080-L1082 PolarHBondContact O-N 2.95Å |
| 1083 | A | 76.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.008 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T84 I680 P1036 E1037 A1038 V1081 | T84-A1083 CarbonylContact O-C 3.59Å; T84-A1083 WeakPolarHBondContact O-CA 3.31Å; T84-A1083 VanDerWaalsContact O-CB 3.25Å; T84-A1083 WeakPolarHBondContact O-CB 3.33Å; I680-A1083 HydrophobicContact CD1-CB 3.47Å; I680-A1083 VanDerWaalsContact CD1-CB 3.47Å; I680-A1083 HydrophobicContact CG1-CB 3.66Å; P1036-A1083 WeakPolarHBondContact CB-O 3.17Å; E1037-A1083 HydrophobicContact CB-CB 4.12Å; E1037-A1083 PolarHBondContact N-O 2.85Å; A1038-A1083 HydrophobicContact CB-CB 4.03Å; A1038-A1083 PolarHBondContact N-O 3.34Å; A1038-A1083 PolarHBondContact O-N 3.26Å; V1081-A1083 WeakPolarHBondContact CG1-O 3.41Å |
| 1084 | G | 70.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | S | Bend | trans | 87.1 | -155.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T84 E1037 V1081 | T84-G1084 PolarHBondContact O-N 2.79Å; E1037-G1084 WeakPolarHBondContact OE2-CA 3.29Å; E1037-G1084 PolarHBondContact OE2-N 3.17Å; E1037-G1084 VanDerWaalsContact OE2-N 3.15Å; V1081-G1084 VanDerWaalsContact CG1-O 3.23Å; V1081-G1084 WeakPolarHBondContact CG1-O 3.38Å |
| 1085 | V | 74.5 | Confident | 86.8 | Confident | 33 Ų | 33 | 9.7 Ų | 9.7 | 20% | 0.2 | 5% | 0.047 | C | C | . | . | trans | -134.7 | 123.9 | -178.2 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | N956 S1034 | N956-V1085 WeakPolarHBondContact OD1-CG1 3.45Å; S1034-V1085 PolarHBondContact OG-O 2.79Å | ||
| 1086 | K | 85 | Confident | 86.6 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 0% | 0.004 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 101.6 | 174.1 | 176.7 | -172.5 | -176 | 174.3 | 0 | 109.6 | Y957 P1036 G1040 T1042 V1081 V1088 | Y957-K1086 PolarHBondContact N-O 2.76Å; Y957-K1086 PolarHBondContact O-N 2.93Å; P1036-K1086 HydrophobicContact CG-CB 4.2Å; G1040-K1086 VanDerWaalsContact O-CD 3.25Å; G1040-K1086 WeakPolarHBondContact O-CD 3.35Å; G1040-K1086 VanDerWaalsContact O-CE 3.22Å; G1040-K1086 WeakPolarHBondContact O-CE 3.34Å; G1040-K1086 PolarHBondContact O-NZ 3.17Å; T1042-K1086 PolarHBondContact OG1-NZ 3.33Å; V1081-K1086 HydrophobicContact CG2-CB 3.52Å; K1086-V1088 HydrophobicContact CD-CG1 4.42Å; K1086-V1088 HydrophobicContact CG-CG1 4Å |
| 1087 | W | 90.3 | Very high | 86.4 | Confident | 11 Ų | 11 | 13.5 Ų | 13.5 | 4% | 0.042 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134.6 | 165.4 | -69.1 | 76.2 | 0 | 0 | 0 | 109.6 | K869 A872 Y873 L876 I954 A955 N956 I1033 S1034 | K869-W1087 HydrophobicContact CD-CD2 4.44Å; K869-W1087 HydrophobicContact CG-CD2 4.16Å; K869-W1087 HydrophobicContact CG-CE3 3.99Å; K869-W1087 HydrophobicContact CG-CH2 4.35Å; K869-W1087 HydrophobicContact CG-CZ3 4.09Å; A872-W1087 HydrophobicContact CB-CZ3 4.31Å; Y873-W1087 HydrophobicContact CD2-CH2 4.27Å; L876-W1087 HydrophobicContact CD1-CH2 3.72Å; L876-W1087 HydrophobicContact CD1-CZ3 4.17Å; I954-W1087 HydrophobicContact CG2-CE3 3.85Å; I954-W1087 HydrophobicContact CG2-CZ3 4.01Å; A955-W1087 CarbonylContact O-C 3.53Å; A955-W1087 WeakPolarHBondContact O-CA 3.31Å; N956-W1087 HydrophobicContact CB-CD2 4.05Å; N956-W1087 HydrophobicContact CB-CE3 4.11Å; N956-W1087 HydrophobicContact CB-CH2 4.37Å; N956-W1087 HydrophobicContact CB-CZ2 4.28Å; N956-W1087 HydrophobicContact CB-CZ3 4.27Å; N956-W1087 VanDerWaalsContact ND2-CE2 3.34Å; N956-W1087 WeakPolarHBondContact ND2-CZ2 3.46Å; I1033-W1087 HydrophobicContact CB-CB 3.69Å; I1033-W1087 WeakPolarHBondContact CB-O 3.48Å; I1033-W1087 HydrophobicContact CG2-CB 3.56Å; I1033-W1087 HydrophobicContact CG2-CG 4.32Å; I1033-W1087 PolarHBondContact N-O 3.44Å; S1034-W1087 PolarHBondContact N-O 3.12Å; S1034-W1087 PolarHBondContact OG-N 3.12Å |
| 1088 | V | 92.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 156.9 | 173.3 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | I954 A955 Y957 M1030 F1031 Y1032 K1086 | I954-V1088 WeakPolarHBondContact CA-O 3.19Å; A955-V1088 HydrophobicContact CB-CG2 3.96Å; A955-V1088 PolarHBondContact N-O 3.25Å; A955-V1088 PolarHBondContact O-N 2.83Å; Y957-V1088 HydrophobicContact CD2-CG2 4.34Å; Y957-V1088 HydrophobicContact CE2-CG2 3.82Å; M1030-V1088 HydrophobicContact CG-CB 3.81Å; M1030-V1088 HydrophobicContact CG-CG1 4.07Å; M1030-V1088 HydrophobicContact CG-CG2 4.37Å; M1030-V1088 HydrophobicContact SD-CB 3.96Å; M1030-V1088 HydrophobicContact SD-CG1 3.75Å; M1030-V1088 HydrophobicContact SD-CG2 4.18Å; F1031-V1088 CarbonylContact O-C 3.59Å; F1031-V1088 WeakPolarHBondContact O-CA 3.46Å; F1031-V1088 VanDerWaalsContact O-CB 3.3Å; F1031-V1088 WeakPolarHBondContact O-CB 3.41Å; Y1032-V1088 HydrophobicContact CD1-CG1 3.93Å; Y1032-V1088 HydrophobicContact CE1-CG1 4.4Å; K1086-V1088 HydrophobicContact CD-CG1 4.42Å; K1086-V1088 HydrophobicContact CG-CG1 4Å |
| 1089 | A | 93.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110.5 | L952 Q953 I954 M1030 F1031 I1033 | L952-A1089 HydrophobicContact CD1-CB 4.09Å; L952-A1089 HydrophobicContact CD2-CB 4.41Å; L952-A1089 HydrophobicContact CG-CB 4.21Å; Q953-A1089 CarbonylContact O-C 3.58Å; Q953-A1089 VanDerWaalsContact O-CA 3.31Å; Q953-A1089 WeakPolarHBondContact O-CA 3.19Å; I954-A1089 HydrophobicContact CD1-CB 3.57Å; M1030-A1089 CarbonylContact C-O 3.47Å; M1030-A1089 WeakPolarHBondContact CA-O 3.4Å; F1031-A1089 HydrophobicContact CB-CB 4.27Å; F1031-A1089 HydrophobicContact CD2-CB 4.26Å; F1031-A1089 PolarHBondContact N-O 3.07Å; F1031-A1089 PolarHBondContact O-N 3.43Å; I1033-A1089 HydrophobicContact CD1-CB 3.74Å; I1033-A1089 HydrophobicContact CG1-CB 4.37Å |
| 1090 | N | 92.2 | Very high | 85.9 | Confident | 14 Ų | 14 | 27.4 Ų | 27.4 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.9 | 175.2 | -61.7 | -32.6 | 0 | 0 | 0 | 110.2 | Q953 M1030 W1092 | Q953-N1090 HydrophobicContact CB-CB 4.31Å; Q953-N1090 PolarHBondContact N-O 2.54Å; Q953-N1090 PolarHBondContact O-N 3.23Å; Q953-N1090 PolarHBondContact OE1-ND2 2.93Å; M1030-N1090 WeakPolarHBondContact CB-OD1 3.28Å; M1030-N1090 WeakPolarHBondContact CG-OD1 3.04Å; N1090-W1092 HydrophobicContact CB-CD2 4.5Å; N1090-W1092 HydrophobicContact CB-CZ3 3.96Å; N1090-W1092 HydrophobicContact CB-CZ2 3.85Å; N1090-W1092 HydrophobicContact CB-CH2 3.71Å; N1090-W1092 HydrophobicContact CB-CE3 4.35Å |
| 1091 | K | 94.2 | Very high | 85.9 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.5 | 166 | -169.3 | 83.3 | 172.8 | 176.1 | 0 | 108.3 | D925 V935 I938 E950 L952 L1029 | D925-K1091 IonicContact OD1-NZ 3.78Å; V935-K1091 HydrophobicContact CG2-CD 4.16Å; I938-K1091 HydrophobicContact CD1-CB 3.61Å; I938-K1091 HydrophobicContact CD1-CD 4.13Å; I938-K1091 HydrophobicContact CD1-CG 3.66Å; E950-K1091 VanDerWaalsContact O-CD 3.25Å; E950-K1091 WeakPolarHBondContact O-CD 3.27Å; E950-K1091 WeakPolarHBondContact O-CE 3.08Å; E950-K1091 PolarHBondContact O-NZ 3.25Å; L952-K1091 HydrophobicContact CD1-CB 4.08Å; L952-K1091 HydrophobicContact CD1-CD 4.12Å; L1029-K1091 PolarHBondContact N-O 3.23Å; L1029-K1091 PolarHBondContact O-N 2.78Å |
| 1092 | W | 91.2 | Very high | 85.9 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.7 | 174.2 | -66.2 | -75.1 | 0 | 0 | 0 | 110.3 | W922 A949 E950 Q953 D968 R1025 N1090 | W922-W1092 HydrophobicContact CH2-CE3 4.35Å; W922-W1092 AromaticContact CH2-CZ3 3.76Å; W922-W1092 HydrophobicContact CH2-CZ3 3.76Å; W922-W1092 HydrophobicContact CZ3-CE3 4.35Å; W922-W1092 AromaticContact CZ3-CZ3 3.96Å; W922-W1092 HydrophobicContact CZ3-CZ3 3.96Å; A949-W1092 CarbonylContact C-O 2.81Å; A949-W1092 WeakPolarHBondContact CA-O 3.22Å; A949-W1092 WeakPolarHBondContact CB-O 3.42Å; E950-W1092 HydrophobicContact CB-CB 4.37Å; E950-W1092 HydrophobicContact CG-CB 4.19Å; E950-W1092 PolarHBondContact N-O 3.39Å; E950-W1092 VanDerWaalsContact OE2-CE3 3.24Å; Q953-W1092 HydrophobicContact CB-CH2 4.42Å; Q953-W1092 HydrophobicContact CB-CZ3 3.9Å; Q953-W1092 HydrophobicContact CG-CZ3 4.48Å; D968-W1092 PolarHBondContact OD1-NE1 2.92Å; D968-W1092 PolarHBondContact OD2-NE1 3.42Å; R1025-W1092 HydrophobicContact CG-CB 4.13Å; R1025-W1092 VanDerWaalsContact CZ-CD2 3.44Å; R1025-W1092 VanDerWaalsContact CZ-CG 3.42Å; R1025-W1092 VanDerWaalsContact NH2-CD2 3.26Å; R1025-W1092 VanDerWaalsContact NH2-CE3 3.29Å; N1090-W1092 HydrophobicContact CB-CD2 4.5Å; N1090-W1092 HydrophobicContact CB-CZ3 3.96Å; N1090-W1092 HydrophobicContact CB-CZ2 3.85Å; N1090-W1092 HydrophobicContact CB-CH2 3.71Å; N1090-W1092 HydrophobicContact CB-CE3 4.35Å |
| 1093 | I | 92 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.1 | -175.9 | -55 | 163 | 0 | 0 | 0 | 107.2 | I938 T942 L944 M946 A949 R1025 I1026 A1027 Q1098 | I938-I1093 HydrophobicContact CG2-CD1 4.27Å; T942-I1093 HydrophobicContact CG2-CD1 4.14Å; L944-I1093 HydrophobicContact CB-CD1 4.41Å; L944-I1093 HydrophobicContact CB-CG2 4.09Å; L944-I1093 HydrophobicContact CD1-CB 4.47Å; L944-I1093 HydrophobicContact CD1-CD1 3.87Å; L944-I1093 HydrophobicContact CD1-CG2 4.03Å; M946-I1093 HydrophobicContact CE-CD1 3.6Å; M946-I1093 HydrophobicContact CE-CG1 3.78Å; M946-I1093 HydrophobicContact CE-CG2 4.15Å; A949-I1093 HydrophobicContact CB-CG1 4.3Å; R1025-I1093 CarbonylContact C-O 2.95Å; R1025-I1093 VanDerWaalsContact C-O 3.24Å; R1025-I1093 WeakPolarHBondContact CA-O 3.29Å; I1026-I1093 HydrophobicContact CG2-CB 4.39Å; I1026-I1093 HydrophobicContact CG2-CG2 4.09Å; I1026-I1093 WeakPolarHBondContact CG2-O 3.09Å; I1026-I1093 PolarHBondContact N-O 2.85Å; A1027-I1093 HydrophobicContact CB-CD1 4.47Å; A1027-I1093 PolarHBondContact N-O 3.21Å; A1027-I1093 PolarHBondContact O-N 2.89Å; I1093-Q1098 VanDerWaalsContact CG2-NE2 3.29Å |
| 1094 | H | 87.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | trans | -97.6 | 161.9 | -177.5 | -74.3 | -91 | 0 | 0 | 0 | 113.3 | T948 E950 F1017 T1022 G1023 N1024 Q1098 | T948-H1094 PolarHBondContact O-CD2 3.33Å; E950-H1094 WeakPolarHBondContact CG-NE2 3.39Å; E950-H1094 IonicContact OE1-CE1 3.34Å; E950-H1094 IonicContact OE1-NE2 3.26Å; E950-H1094 PolarHBondContact OE1-NE2 2.65Å; F1017-H1094 AromaticContact CD1-CE1 3.76Å; T1022-H1094 WeakPolarHBondContact O-CB 3.23Å; T1022-H1094 PolarHBondContact OG1-CE1 3.3Å; T1022-H1094 PolarHBondContact OG1-ND1 3.04Å; T1022-H1094 VanDerWaalsContact OG1-ND1 3.11Å; G1023-H1094 PolarHBondContact O-ND1 3.45Å; N1024-H1094 WeakPolarHBondContact O-CA 3.14Å; H1094-Q1098 WeakPolarHBondContact O-CG 3.37Å; H1094-Q1098 PolarHBondContact O-NE2 3.1Å; H1094-Q1098 VanDerWaalsContact O-NE2 3.08Å | ||
| 1095 | E | 83.9 | Confident | 85.7 | Confident | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -62.9 | -38.1 | 179.6 | -71.5 | 176.4 | 117.8 | 0 | 0 | 114.8 | N1024 I1026 L1064 G1097 Q1098 | N1024-E1095 WeakPolarHBondContact CA-OE2 3.35Å; N1024-E1095 VanDerWaalsContact CB-OE2 3.23Å; N1024-E1095 WeakPolarHBondContact CB-OE2 3.37Å; N1024-E1095 PolarHBondContact N-OE2 2.75Å; N1024-E1095 WeakPolarHBondContact O-CG 3.45Å; N1024-E1095 PolarHBondContact O-N 3.34Å; I1026-E1095 HydrophobicContact CB-CG 3.95Å; I1026-E1095 HydrophobicContact CD1-CG 4.25Å; I1026-E1095 HydrophobicContact CG1-CG 4.28Å; L1064-E1095 HydrophobicContact CD1-CG 3.64Å; L1064-E1095 WeakPolarHBondContact CD1-OE1 3.14Å; E1095-G1097 PolarHBondContact O-N 2.83Å; E1095-Q1098 VanDerWaalsContact O-CB 3.29Å; E1095-Q1098 PolarHBondContact O-N 2.95Å; E1095-Q1098 WeakPolarHBondContact O-CB 3.26Å; E1095-Q1098 WeakPolarHBondContact O-CG 3.1Å |
| 1096 | R | 83.7 | Confident | 85.4 | Confident | 127 Ų | 127 | 50.6 Ų | 50.6 | 48% | 0.479 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 133.2 | -178.3 | 179 | 178.9 | 169.3 | -170.6 | -6.5 | 111 | T948 N1021 T1022 Q1098 | T948-R1096 WeakPolarHBondContact CB-O 3.4Å; T948-R1096 HydrophobicContact CG2-CB 4.21Å; T948-R1096 HydrophobicContact CG2-CG 4.1Å; T948-R1096 VanDerWaalsContact CG2-O 3.29Å; T948-R1096 WeakPolarHBondContact CG2-O 3.18Å; T948-R1096 PolarHBondContact OG1-O 3.36Å; N1021-R1096 WeakPolarHBondContact O-CD 3.47Å; N1021-R1096 PolarHBondContact O-NH1 3.06Å; T1022-R1096 WeakPolarHBondContact O-CB 3.32Å; T1022-R1096 PolarHBondContact O-N 3.19Å; R1096-Q1098 VanDerWaalsContact C-N 3.34Å |
| 1097 | G | 85.8 | Confident | 84.3 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 6.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N945 E1095 E1099 Y1101 | N945-G1097 VanDerWaalsContact CB-O 3.24Å; N945-G1097 WeakPolarHBondContact CB-O 3.17Å; N945-G1097 PolarHBondContact ND2-O 3.3Å; E1095-G1097 PolarHBondContact O-N 2.83Å; G1097-E1099 WeakPolarHBondContact CA-OE2 3.06Å; G1097-E1099 PolarHBondContact N-OE1 3.07Å; G1097-E1099 PolarHBondContact N-OE2 2.86Å; G1097-Y1101 VanDerWaalsContact O-CD2 3.28Å; G1097-Y1101 WeakPolarHBondContact O-CD2 3.39Å |
| 1098 | Q | 88.5 | Confident | 82.8 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | trans | -102.4 | 1.2 | 179 | -48.4 | -61 | -17.1 | 0 | 0 | 113.5 | N945 I1026 I1093 H1094 E1095 R1096 F1100 Y1101 R1102 | N945-Q1098 PolarHBondContact O-NE2 3.4Å; I1026-Q1098 HydrophobicContact CD1-CB 4.35Å; I1026-Q1098 HydrophobicContact CD1-CG 4.44Å; I1026-Q1098 HydrophobicContact CG2-CG 4.28Å; I1093-Q1098 VanDerWaalsContact CG2-NE2 3.29Å; H1094-Q1098 WeakPolarHBondContact O-CG 3.37Å; H1094-Q1098 PolarHBondContact O-NE2 3.1Å; H1094-Q1098 VanDerWaalsContact O-NE2 3.08Å; E1095-Q1098 VanDerWaalsContact O-CB 3.29Å; E1095-Q1098 PolarHBondContact O-N 2.95Å; E1095-Q1098 WeakPolarHBondContact O-CB 3.26Å; E1095-Q1098 WeakPolarHBondContact O-CG 3.1Å; R1096-Q1098 VanDerWaalsContact C-N 3.34Å; Q1098-F1100 VanDerWaalsContact O-N 3.1Å; Q1098-F1100 PolarHBondContact O-N 2.77Å; Q1098-Y1101 PolarHBondContact O-N 3.44Å; Q1098-R1102 PolarHBondContact O-N 2.98Å | ||
| 1099 | E | 82 | Confident | 81 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.3 | -165 | -56 | 77.2 | -168.7 | 0 | 0 | 112.2 | G1097 | G1097-E1099 WeakPolarHBondContact CA-OE2 3.06Å; G1097-E1099 PolarHBondContact N-OE1 3.07Å; G1097-E1099 PolarHBondContact N-OE2 2.86Å |
| 1100 | F | 86.3 | Confident | 78.6 | Confident | 189 Ų | 189 | 70.9 Ų | 70.9 | 83% | 0.829 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -13.4 | 176.6 | -54.3 | -72.3 | 0 | 0 | 0 | 114 | Q1098 | Q1098-F1100 VanDerWaalsContact O-N 3.1Å; Q1098-F1100 PolarHBondContact O-N 2.77Å |
| 1101 | Y | 86 | Confident | 76.1 | Confident | 129 Ų | 129 | 77 Ų | 77 | 51% | 0.506 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -38.6 | -177.6 | -67.4 | -82.9 | 0 | 0 | 0 | 112.4 | N943 N945 G1097 Q1098 | N943-Y1101 VanDerWaalsContact O-CD1 3.27Å; N943-Y1101 WeakPolarHBondContact O-CD1 3.48Å; N945-Y1101 HydrophobicContact CB-CD2 3.92Å; N945-Y1101 HydrophobicContact CB-CE2 3.77Å; G1097-Y1101 VanDerWaalsContact O-CD2 3.28Å; G1097-Y1101 WeakPolarHBondContact O-CD2 3.39Å; Q1098-Y1101 PolarHBondContact O-N 3.44Å |
| 1102 | R | 85.2 | Confident | 73.3 | Confident | 40 Ų | 40 | 88 Ų | 88 | 15% | 0.151 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -135.9 | 74.9 | 173.4 | -171.2 | -172.4 | -174.4 | -105.6 | 11.6 | 109.9 | L944 H1062 L1064 L1065 Q1098 C1104 | L944-R1102 HydrophobicContact CD2-CB 3.9Å; H1062-R1102 PolarHBondContact CD2-NE 2.95Å; H1062-R1102 PolarHBondContact NE2-NE 2.64Å; L1064-R1102 PolarHBondContact O-NH2 2.98Å; L1065-R1102 PolarHBondContact O-NH1 2.81Å; Q1098-R1102 PolarHBondContact O-N 2.98Å; R1102-C1104 PolarHBondContact O-N 3.16Å |
| 1103 | P | 79.5 | Confident | 72.5 | Confident | 67 Ų | 67 | 91.8 Ų | 91.8 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | trans | -52.8 | 137.1 | 178.8 | -28 | 35.7 | 0 | 0 | 0 | 112.6 | R1066 | R1066-P1103 PolarHBondContact NH1-O 3.11Š| ||
| 1104 | C | 74.2 | Confident | 71.4 | Confident | 112 Ų | 112 | 96.6 Ų | 96.6 | 76% | 0.757 | 46% | 0.464 | S | S | * | . | trans | -70.1 | 164.6 | 178 | 60.4 | 0 | 0 | 0 | 0 | 112 | R1066 R1102 | R1066-C1104 CarbonylContact O-C 3.45Å; R1066-C1104 WeakPolarHBondContact O-CA 3.47Å; R1066-C1104 VanDerWaalsContact O-CB 3.26Å; R1066-C1104 WeakPolarHBondContact O-CB 3.42Å; R1102-C1104 PolarHBondContact O-N 3.16Å | ||
| 1105 | A | 71.3 | Confident | 70.5 | Confident | 11 Ų | 11 | 101.9 Ų | 101.9 | 9% | 0.091 | 49% | 0.489 | C | S | . | . | trans | -125.4 | 148.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1066 N1067 T1107 Y1110 | R1066-A1105 PolarHBondContact O-N 3.15Å; R1066-A1105 HydrophobicContact CB-CB 3.7Å; N1067-A1105 WeakPolarHBondContact CA-O 3.24Å; A1105-T1107 PolarHBondContact O-N 3.24Å; A1105-Y1110 HydrophobicContact CB-CG 4.3Å | ||
| 1106 | L | 67.5 | Low | 69.7 | Low | 172 Ų | 172 | 105.2 Ų | 105.2 | 90% | 0.901 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -69.6 | -16.2 | 179.9 | -61.2 | 175.3 | 0 | 0 | 0 | 113.5 | ||
| 1107 | T | 62.8 | Low | 68.9 | Low | 76 Ų | 76 | 103.9 Ų | 103.9 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -143.9 | 156.6 | 179.4 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | A1105 N1109 | A1105-T1107 PolarHBondContact O-N 3.24Å; T1107-N1109 VanDerWaalsContact C-N 3.27Å; T1107-N1109 PolarHBondContact O-N 2.87Å |
| 1108 | E | 58.3 | Low | 67.7 | Low | 89 Ų | 89 | 109.8 Ų | 109.8 | 42% | 0.416 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -41.9 | 178.2 | -175.4 | -177.3 | 178.8 | 0 | 0 | 112.2 | L1065 R1073 Y1110 | L1065-E1108 HydrophobicContact CD1-CG 4.02Å; L1065-E1108 HydrophobicContact CD2-CG 4.11Å; R1073-E1108 IonicContact CZ-OE1 2.72Å; R1073-E1108 PolarHBondContact NH2-OE1 3.49Å; R1073-E1108 IonicContact NH2-OE1 3.23Å; R1073-E1108 IonicContact NH1-OE1 2.85Å; R1073-E1108 PolarHBondContact NH1-OE1 2.78Å; E1108-Y1110 PolarHBondContact O-N 3.05Å |
| 1109 | N | 54 | Low | 66.3 | Low | 117 Ų | 117 | 117.4 Ų | 117.4 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 20.3 | -167.7 | -68.2 | -48.8 | 0 | 0 | 0 | 115 | T1107 Y1111 | T1107-N1109 VanDerWaalsContact C-N 3.27Å; T1107-N1109 PolarHBondContact O-N 2.87Å; N1109-Y1111 PolarHBondContact O-N 3.37Å |
| 1110 | Y | 44.9 | Very low | 65.1 | Low | 156 Ų | 156 | 118.2 Ų | 118.2 | 61% | 0.612 | 57% | 0.573 | S | S | * | * | trans | -71.8 | 10.5 | -173.2 | -154.7 | -99.9 | 0 | 0 | 0 | 115.7 | A1105 E1108 | A1105-Y1110 HydrophobicContact CB-CG 4.3Å; E1108-Y1110 PolarHBondContact O-N 3.05Å | ||
| 1111 | Y | 40.3 | Very low | 63.3 | Low | 144 Ų | 144 | 112.3 Ų | 112.3 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | trans | -142.7 | 97 | 174.5 | -75.3 | -91.3 | 0 | 0 | 0 | 110.9 | R1066 N1109 | R1066-Y1111 VanDerWaalsContact CD-CD2 3.47Å; R1066-Y1111 VanDerWaalsContact CZ-CE2 3.49Å; R1066-Y1111 VanDerWaalsContact NE-CD2 3.26Å; N1109-Y1111 PolarHBondContact O-N 3.37Å | ||
| 1112 | E | 35.4 | Very low | 61.2 | Low | 234 Ų | 234 | 110.7 Ų | 110.7 | 100% | 1.093 | 56% | 0.556 | S | S | * | * | trans | -106.7 | 0 | 147.8 | -57.8 | -142.3 | 116.5 | 0 | 0 | 108.9 | K850 | K850-E1112 IonicContact NZ-OE1 2.75Å; K850-E1112 PolarHBondContact NZ-OE1 3.36Å |
Retrieved 1,112 of 1,112 residues in 646.6 ms
(Link to these results)